data_5795 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure of a Novel Type of Antifungal Peptide Distinct With a Five-disulfide Motif from Eucommia ulmoides Oliv ; _BMRB_accession_number 5795 _BMRB_flat_file_name bmr5795.str _Entry_type original _Submission_date 2003-05-13 _Accession_date 2003-05-13 _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 Huang Ren-Huai . . 2 Wang Da-Cheng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 542 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-11 update BMRB 'Updating non-standard residue' 2008-07-17 update BMRB 'Updating non-standard residue' 2004-09-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Eucommia antifungal peptide: a novel structural model distinct with a five-disulfide motif. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15147184 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Ren-Huai . . 2 Xiang Y. . . 3 Tu G. Z. . 4 Zhang Y. . . 5 Wang D. C. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6005 _Page_last 6012 _Year 2004 _Details . loop_ _Keyword 'Antifungal Peptide' 'Chitin-Binding Motif' 'Pyroglutamic Acid' stop_ save_ ################################## # Molecular system description # ################################## save_system_EAFP2 _Saveframe_category molecular_system _Mol_system_name 'Eucommia antifungal peptide 2' _Abbreviation_common EAFP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EAFP2 monomer' $EAFP2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'antifungal peptide' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EAFP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Eucommia Antifungal Peptide 2' _Abbreviation_common EAFP2 _Molecular_mass 4158.77 _Mol_thiol_state 'all disulfide bound' _Details 'The molecule contains a unique five-disulfide motif and is rich in Glycine.' ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; XTCASRCPRPCNAGLCCSIY GYCGSGAAYCGAGNCRCQCR G ; loop_ _Residue_seq_code _Residue_label 1 PCA 2 THR 3 CYS 4 ALA 5 SER 6 ARG 7 CYS 8 PRO 9 ARG 10 PRO 11 CYS 12 ASN 13 ALA 14 GLY 15 LEU 16 CYS 17 CYS 18 SER 19 ILE 20 TYR 21 GLY 22 TYR 23 CYS 24 GLY 25 SER 26 GLY 27 ALA 28 ALA 29 TYR 30 CYS 31 GLY 32 ALA 33 GLY 34 ASN 35 CYS 36 ARG 37 CYS 38 GLN 39 CYS 40 ARG 41 GLY 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 1P9G "Crystal Structure Of A Novel Antifungal Protein Distinct With Five Disulfide Bridges From Ecommia Ulmoides Oliver At Atomic Res" 97.56 41 100.00 100.00 1.28e-16 PDB 1P9Z "The Solution Structure Of Antifungal Peptide Distinct With A Five-Disulfide Motif From Eucommia Ulmoides Oliver" 97.56 41 100.00 100.00 1.28e-16 SP P83596 "RecName: Full=Antifungal peptide 1; AltName: Full=EAFP1 [Eucommia ulmoides]" 97.56 41 97.50 97.50 5.78e-16 SP P83597 "RecName: Full=Antifungal peptide 2; AltName: Full=EAFP2 [Eucommia ulmoides]" 97.56 41 100.00 100.00 1.16e-16 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_PCA _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 'PYROGLUTAMIC ACID' _BMRB_code . _PDB_code PCA _Standard_residue_derivative . _Molecular_mass 129.114 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 15:36:13 2012 ; 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 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE OE O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 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 CD ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? DOUB CD OE ? ? DOUB C O ? ? SING C OXT ? ? 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 _Strain _Tissue $EAFP2 'Hardy Rubber Tree' 4392 Eukaryota Viridiplantae Eucommia ulmoides Oliv Bark 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 $EAFP2 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EAFP2 . mM 5.8 6.2 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EAFP2 . mM 5.8 6.2 . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EAFP2 . mM 5.8 6.2 . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.105 loop_ _Task 'spectra view' 'peak assignments' 'peak integrations.' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 0.1 na temperature 300 1 K stop_ save_ save_Ex-Cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 0.1 na temperature 290 1 K 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 TSP H 1 'methyl protons' ppm 0.00 internal direct spherical internal parallel 1.0 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label DQF-COSY TOCSY NOESY stop_ _Sample_conditions_label $Ex-Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'EAFP2 monomer' _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 PCA HA H 3.537 0.002 1 2 . 1 PCA HB2 H 2.519 0.001 2 3 . 1 PCA HB3 H 2.070 0.005 2 4 . 1 PCA HG2 H 2.481 0.003 2 5 . 1 PCA H H 6.663 0.002 1 6 . 2 THR HA H 4.734 0.001 1 7 . 2 THR HB H 4.635 0.002 1 8 . 2 THR HG2 H 1.133 0.003 1 9 . 2 THR H H 8.152 0.002 1 10 . 3 CYS HA H 4.217 0.002 1 11 . 3 CYS HB2 H 2.969 0.003 2 12 . 3 CYS H H 8.522 0.002 1 13 . 4 ALA HA H 4.443 0.002 1 14 . 4 ALA HB H 1.399 0.002 1 15 . 4 ALA H H 7.895 0.001 1 16 . 5 SER HA H 4.310 0.001 1 17 . 5 SER HB2 H 4.033 0.001 2 18 . 5 SER H H 7.718 0.001 1 19 . 6 ARG HA H 4.648 0.002 1 20 . 6 ARG HB2 H 2.237 0.003 2 21 . 6 ARG HB3 H 1.469 0.002 2 22 . 6 ARG HD2 H 3.295 0.005 2 23 . 6 ARG HD3 H 3.211 0.001 2 24 . 6 ARG HE H 7.204 0.003 1 25 . 6 ARG HG2 H 1.618 0.003 2 26 . 6 ARG H H 7.796 0.003 1 27 . 7 CYS HA H 4.289 0.002 1 28 . 7 CYS HB2 H 3.384 0.001 2 29 . 7 CYS HB3 H 2.772 0.003 2 30 . 7 CYS H H 7.303 0.002 1 31 . 8 PRO HA H 4.495 0.002 1 32 . 8 PRO HB2 H 2.442 0.004 2 33 . 8 PRO HB3 H 2.350 0.004 2 34 . 8 PRO HD2 H 3.634 0.003 2 35 . 8 PRO HD3 H 3.541 0.000 2 36 . 8 PRO HG2 H 2.029 0.001 2 37 . 8 PRO HG3 H 1.761 0.002 2 38 . 9 ARG HA H 5.113 0.002 1 39 . 9 ARG HB2 H 1.959 0.002 2 40 . 9 ARG HB3 H 1.514 0.001 2 41 . 9 ARG HD2 H 3.205 0.002 2 42 . 9 ARG HE H 7.215 0.003 1 43 . 9 ARG HG2 H 1.461 0.000 2 44 . 9 ARG H H 8.273 0.001 1 45 . 10 PRO HA H 4.505 0.002 1 46 . 10 PRO HB2 H 2.331 0.002 2 47 . 10 PRO HB3 H 1.843 0.002 2 48 . 10 PRO HD2 H 4.073 0.002 2 49 . 10 PRO HD3 H 3.541 0.003 2 50 . 10 PRO HG2 H 2.149 0.003 2 51 . 10 PRO HG3 H 1.760 0.002 2 52 . 11 CYS HA H 5.067 0.003 1 53 . 11 CYS HB2 H 3.150 0.002 2 54 . 11 CYS HB3 H 2.574 0.003 2 55 . 11 CYS H H 9.247 0.004 1 56 . 12 ASN HA H 4.488 0.002 1 57 . 12 ASN HB2 H 2.898 0.003 2 58 . 12 ASN HB3 H 2.510 0.001 2 59 . 12 ASN HD21 H 7.579 0.000 2 60 . 12 ASN HD22 H 7.000 0.002 2 61 . 12 ASN H H 8.870 0.001 1 62 . 13 ALA HA H 3.902 0.001 1 63 . 13 ALA HB H 1.349 0.001 1 64 . 13 ALA H H 8.202 0.002 1 65 . 14 GLY HA2 H 4.265 0.003 2 66 . 14 GLY HA3 H 3.666 0.001 2 67 . 14 GLY H H 9.290 0.002 1 68 . 15 LEU HA H 4.605 0.001 1 69 . 15 LEU HB2 H 1.869 0.002 2 70 . 15 LEU HB3 H 1.245 0.003 2 71 . 15 LEU HD1 H 0.725 0.003 2 72 . 15 LEU HD2 H 0.604 0.003 2 73 . 15 LEU HG H 1.341 0.002 1 74 . 15 LEU H H 7.898 0.003 1 75 . 16 CYS HA H 5.187 0.001 1 76 . 16 CYS HB2 H 4.161 0.003 2 77 . 16 CYS HB3 H 2.346 0.004 2 78 . 16 CYS H H 9.003 0.002 1 79 . 17 CYS HA H 5.110 0.002 1 80 . 17 CYS HB2 H 2.950 0.004 2 81 . 17 CYS HB3 H 2.885 0.003 2 82 . 17 CYS H H 7.754 0.004 1 83 . 18 SER HA H 5.415 0.002 1 84 . 18 SER HB2 H 4.650 0.002 2 85 . 18 SER HB3 H 4.532 0.002 2 86 . 18 SER H H 9.637 0.002 1 87 . 19 ILE HA H 3.914 0.002 1 88 . 19 ILE HB H 1.717 0.003 1 89 . 19 ILE HD1 H 0.677 0.006 1 90 . 19 ILE HG12 H 0.847 0.006 2 91 . 19 ILE HG13 H 0.261 0.002 2 92 . 19 ILE HG2 H 0.598 0.002 1 93 . 19 ILE H H 8.581 0.001 1 94 . 20 TYR HA H 4.715 0.003 1 95 . 20 TYR HB2 H 3.617 0.001 2 96 . 20 TYR HB3 H 2.902 0.003 2 97 . 20 TYR HD1 H 7.216 0.002 1 98 . 20 TYR HE1 H 6.863 0.003 1 99 . 20 TYR H H 7.545 0.003 1 100 . 21 GLY HA2 H 4.252 0.003 2 101 . 21 GLY HA3 H 3.855 0.001 2 102 . 21 GLY H H 8.058 0.003 1 103 . 22 TYR HA H 4.904 0.005 1 104 . 22 TYR HB2 H 3.330 0.002 2 105 . 22 TYR HB3 H 3.040 0.000 2 106 . 22 TYR HD1 H 7.068 0.003 1 107 . 22 TYR HE1 H 6.848 0.002 1 108 . 22 TYR H H 7.542 0.003 1 109 . 23 CYS HA H 5.853 0.003 1 110 . 23 CYS HB2 H 3.016 0.006 2 111 . 23 CYS HB3 H 2.704 0.002 2 112 . 23 CYS H H 8.844 0.001 1 113 . 24 GLY HA2 H 3.589 0.003 2 114 . 24 GLY HA3 H 1.740 0.002 2 115 . 24 GLY H H 8.806 0.001 1 116 . 25 SER HA H 5.105 0.003 1 117 . 25 SER HB2 H 3.842 0.003 2 118 . 25 SER HB3 H 3.724 0.002 2 119 . 25 SER H H 8.075 0.002 1 120 . 26 GLY HA2 H 4.589 0.003 2 121 . 26 GLY HA3 H 3.899 0.002 2 122 . 26 GLY H H 8.192 0.002 1 123 . 27 ALA HA H 3.984 0.003 1 124 . 27 ALA HB H 1.470 0.003 1 125 . 27 ALA H H 8.814 0.002 1 126 . 28 ALA HA H 4.017 0.002 1 127 . 28 ALA HB H 1.227 0.002 1 128 . 28 ALA H H 8.717 0.001 1 129 . 29 TYR HA H 4.273 0.003 1 130 . 29 TYR HB2 H 2.945 0.004 2 131 . 29 TYR HB3 H 2.650 0.003 2 132 . 29 TYR HD1 H 7.167 0.002 1 133 . 29 TYR HE1 H 6.756 0.003 1 134 . 29 TYR H H 7.486 0.004 1 135 . 30 CYS HA H 4.671 0.001 1 136 . 30 CYS HB2 H 3.361 0.003 2 137 . 30 CYS HB3 H 2.705 0.001 2 138 . 30 CYS H H 8.188 0.003 1 139 . 31 GLY HA2 H 4.088 0.001 2 140 . 31 GLY HA3 H 3.969 0.002 2 141 . 31 GLY H H 8.160 0.002 1 142 . 32 ALA HA H 4.150 0.002 1 143 . 32 ALA HB H 1.406 0.002 1 144 . 32 ALA H H 8.510 0.002 1 145 . 33 GLY HA2 H 4.203 0.002 2 146 . 33 GLY HA3 H 3.661 0.002 2 147 . 33 GLY H H 8.784 0.002 1 148 . 34 ASN HA H 4.867 0.001 1 149 . 34 ASN HB2 H 2.942 0.001 2 150 . 34 ASN HB3 H 2.333 0.002 2 151 . 34 ASN HD21 H 7.279 0.001 2 152 . 34 ASN HD22 H 6.803 0.001 2 153 . 34 ASN H H 7.841 0.002 1 154 . 35 CYS HA H 4.651 0.004 1 155 . 35 CYS HB2 H 3.393 0.001 2 156 . 35 CYS HB3 H 2.680 0.003 2 157 . 35 CYS H H 7.532 0.002 1 158 . 36 ARG HA H 4.407 0.003 1 159 . 36 ARG HB2 H 1.898 0.003 2 160 . 36 ARG HB3 H 1.424 0.003 2 161 . 36 ARG HD2 H 3.324 0.002 2 162 . 36 ARG HD3 H 3.269 0.000 2 163 . 36 ARG HE H 7.409 0.002 1 164 . 36 ARG HG2 H 1.703 0.003 2 165 . 36 ARG HG3 H 1.564 0.002 2 166 . 36 ARG H H 10.191 0.003 1 167 . 37 CYS HA H 4.850 0.000 1 168 . 37 CYS HB2 H 4.163 0.004 2 169 . 37 CYS HB3 H 3.309 0.001 2 170 . 37 CYS H H 8.188 0.002 1 171 . 38 GLN HA H 4.038 0.003 1 172 . 38 GLN HB2 H 2.520 0.001 2 173 . 38 GLN HB3 H 2.177 0.004 2 174 . 38 GLN HE21 H 6.587 0.000 2 175 . 38 GLN HE22 H 6.034 0.002 2 176 . 38 GLN HG2 H 3.168 0.003 2 177 . 38 GLN H H 9.048 0.002 1 178 . 39 CYS HA H 4.924 0.005 1 179 . 39 CYS HB2 H 3.581 0.004 2 180 . 39 CYS HB3 H 2.717 0.003 2 181 . 39 CYS H H 7.975 0.001 1 182 . 40 ARG HA H 4.540 0.002 1 183 . 40 ARG HB2 H 2.035 0.005 2 184 . 40 ARG HB3 H 1.734 0.002 2 185 . 40 ARG HD2 H 3.209 0.001 2 186 . 40 ARG HE H 7.198 0.003 1 187 . 40 ARG HG2 H 1.622 0.001 2 188 . 40 ARG H H 8.269 0.003 1 189 . 41 GLY HA2 H 3.955 0.002 2 190 . 41 GLY H H 8.080 0.003 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-Cond_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'EAFP2 monomer' _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 PCA HA H 3.509 0.003 1 2 . 1 PCA HB2 H 2.521 0.000 2 3 . 1 PCA HB3 H 2.065 0.003 2 4 . 1 PCA HG2 H 2.496 0.003 2 5 . 1 PCA H H 6.625 0.001 1 6 . 2 THR HA H 4.742 0.002 1 7 . 2 THR HB H 4.650 0.002 1 8 . 2 THR HG2 H 1.132 0.002 1 9 . 2 THR H H 8.227 0.002 1 10 . 3 CYS HA H 4.211 0.003 1 11 . 3 CYS HB2 H 2.970 0.003 2 12 . 3 CYS H H 8.530 0.001 1 13 . 4 ALA HA H 4.455 0.004 1 14 . 4 ALA HB H 1.407 0.002 1 15 . 4 ALA H H 7.948 0.002 1 16 . 5 SER HA H 4.311 0.001 1 17 . 5 SER HB2 H 4.038 0.003 2 18 . 5 SER H H 7.751 0.003 1 19 . 6 ARG HA H 4.653 0.001 1 20 . 6 ARG HB2 H 2.239 0.002 2 21 . 6 ARG HB3 H 1.466 0.003 2 22 . 6 ARG HD2 H 3.306 0.004 2 23 . 6 ARG HD3 H 3.201 0.000 2 24 . 6 ARG HE H 7.244 0.001 1 25 . 6 ARG HG2 H 1.621 0.002 2 26 . 6 ARG H H 7.821 0.002 1 27 . 7 CYS HA H 4.289 0.002 1 28 . 7 CYS HB2 H 3.412 0.003 2 29 . 7 CYS HB3 H 2.762 0.001 2 30 . 7 CYS H H 7.322 0.002 1 31 . 8 PRO HA H 4.504 0.003 1 32 . 8 PRO HB2 H 2.451 0.000 2 33 . 8 PRO HB3 H 2.351 0.001 2 34 . 8 PRO HD2 H 3.648 0.002 2 35 . 8 PRO HD3 H 3.511 0.000 2 36 . 8 PRO HG2 H 2.033 0.001 2 37 . 8 PRO HG3 H 1.759 0.001 2 38 . 9 ARG HA H 5.130 0.003 1 39 . 9 ARG HB2 H 1.959 0.002 2 40 . 9 ARG HB3 H 1.508 0.001 2 41 . 9 ARG HD2 H 3.201 0.001 2 42 . 9 ARG HE H 7.243 0.001 1 43 . 9 ARG HG2 H 1.464 0.001 2 44 . 9 ARG H H 8.330 0.001 1 45 . 10 PRO HA H 4.514 0.004 1 46 . 10 PRO HB2 H 2.339 0.003 2 47 . 10 PRO HB3 H 1.845 0.003 2 48 . 10 PRO HD2 H 4.083 0.002 2 49 . 10 PRO HD3 H 3.550 0.003 2 50 . 10 PRO HG2 H 2.154 0.003 2 51 . 10 PRO HG3 H 1.758 0.003 2 52 . 11 CYS HA H 5.078 0.003 1 53 . 11 CYS HB2 H 3.153 0.003 2 54 . 11 CYS HB3 H 2.567 0.003 2 55 . 11 CYS H H 9.318 0.002 1 56 . 12 ASN HA H 4.482 0.002 1 57 . 12 ASN HB2 H 2.908 0.001 2 58 . 12 ASN HB3 H 2.504 0.002 2 59 . 12 ASN HD21 H 7.629 0.002 2 60 . 12 ASN HD22 H 7.051 0.003 2 61 . 12 ASN H H 8.968 0.002 1 62 . 13 ALA HA H 3.903 0.001 1 63 . 13 ALA HB H 1.351 0.001 1 64 . 13 ALA H H 8.271 0.000 1 65 . 14 GLY HA2 H 4.270 0.003 2 66 . 14 GLY HA3 H 3.680 0.002 2 67 . 14 GLY H H 9.421 0.001 1 68 . 15 LEU HA H 4.608 0.003 1 69 . 15 LEU HB2 H 1.878 0.002 2 70 . 15 LEU HB3 H 1.240 0.004 2 71 . 15 LEU HD1 H 0.727 0.004 2 72 . 15 LEU HD2 H 0.602 0.003 2 73 . 15 LEU HG H 1.340 0.002 1 74 . 15 LEU H H 7.943 0.003 1 75 . 16 CYS HA H 5.182 0.003 1 76 . 16 CYS HB2 H 4.160 0.002 2 77 . 16 CYS HB3 H 2.344 0.002 2 78 . 16 CYS H H 9.020 0.002 1 79 . 17 CYS HA H 5.112 0.002 1 80 . 17 CYS HB2 H 2.954 0.002 2 81 . 17 CYS HB3 H 2.885 0.002 2 82 . 17 CYS H H 7.780 0.003 1 83 . 18 SER HA H 5.427 0.003 1 84 . 18 SER HB2 H 4.664 0.004 2 85 . 18 SER HB3 H 4.545 0.004 2 86 . 18 SER H H 9.706 0.002 1 87 . 19 ILE HA H 3.926 0.001 1 88 . 19 ILE HB H 1.722 0.001 1 89 . 19 ILE HD1 H 0.677 0.003 1 90 . 19 ILE HG12 H 0.836 0.002 2 91 . 19 ILE HG13 H 0.217 0.002 2 92 . 19 ILE HG2 H 0.595 0.002 1 93 . 19 ILE H H 8.593 0.001 1 94 . 20 TYR HA H 4.727 0.002 1 95 . 20 TYR HB2 H 3.631 0.003 2 96 . 20 TYR HB3 H 2.912 0.003 2 97 . 20 TYR HD1 H 7.217 0.001 1 98 . 20 TYR HE1 H 6.868 0.002 1 99 . 20 TYR H H 7.587 0.001 1 100 . 21 GLY HA2 H 4.257 0.002 2 101 . 21 GLY HA3 H 3.860 0.002 2 102 . 21 GLY H H 8.076 0.002 1 103 . 22 TYR HB2 H 3.330 0.002 2 104 . 22 TYR HB3 H 3.065 0.001 2 105 . 22 TYR HD1 H 7.067 0.002 1 106 . 22 TYR HE1 H 6.842 0.001 1 107 . 22 TYR H H 7.586 0.002 1 108 . 23 CYS HA H 5.862 0.002 1 109 . 23 CYS HB2 H 3.002 0.006 2 110 . 23 CYS HB3 H 2.701 0.004 2 111 . 23 CYS H H 8.873 0.003 1 112 . 24 GLY HA2 H 3.581 0.004 2 113 . 24 GLY HA3 H 1.717 0.002 2 114 . 24 GLY H H 8.837 0.002 1 115 . 25 SER HA H 5.107 0.003 1 116 . 25 SER HB2 H 3.845 0.003 2 117 . 25 SER HB3 H 3.723 0.003 2 118 . 25 SER H H 8.128 0.002 1 119 . 26 GLY HA2 H 4.583 0.001 2 120 . 26 GLY HA3 H 3.895 0.001 2 121 . 26 GLY H H 8.281 0.002 1 122 . 27 ALA HA H 3.993 0.003 1 123 . 27 ALA HB H 1.470 0.002 1 124 . 27 ALA H H 8.869 0.001 1 125 . 28 ALA HA H 4.021 0.004 1 126 . 28 ALA HB H 1.231 0.001 1 127 . 28 ALA H H 8.770 0.004 1 128 . 29 TYR HA H 4.270 0.000 1 129 . 29 TYR HB2 H 2.956 0.001 2 130 . 29 TYR HB3 H 2.668 0.003 2 131 . 29 TYR HD1 H 7.180 0.002 1 132 . 29 TYR HE1 H 6.757 0.003 1 133 . 29 TYR H H 7.511 0.001 1 134 . 30 CYS HA H 4.668 0.001 1 135 . 30 CYS HB2 H 3.358 0.003 2 136 . 30 CYS HB3 H 2.702 0.001 2 137 . 30 CYS H H 8.211 0.002 1 138 . 31 GLY HA2 H 4.088 0.000 2 139 . 31 GLY HA3 H 3.971 0.000 2 140 . 31 GLY H H 8.197 0.001 1 141 . 32 ALA HA H 4.155 0.004 1 142 . 32 ALA HB H 1.406 0.001 1 143 . 32 ALA H H 8.581 0.001 1 144 . 33 GLY HA2 H 4.201 0.003 2 145 . 33 GLY HA3 H 3.662 0.003 2 146 . 33 GLY H H 8.830 0.002 1 147 . 34 ASN HA H 4.839 0.000 1 148 . 34 ASN HB2 H 2.956 0.001 2 149 . 34 ASN HB3 H 2.339 0.001 2 150 . 34 ASN HD21 H 7.323 0.001 2 151 . 34 ASN HD22 H 6.830 0.002 2 152 . 34 ASN H H 7.870 0.002 1 153 . 35 CYS HA H 4.654 0.001 1 154 . 35 CYS HB2 H 3.398 0.001 2 155 . 35 CYS HB3 H 2.678 0.003 2 156 . 35 CYS H H 7.542 0.002 1 157 . 36 ARG HA H 4.407 0.002 1 158 . 36 ARG HB2 H 1.903 0.002 2 159 . 36 ARG HB3 H 1.419 0.003 2 160 . 36 ARG HD2 H 3.329 0.000 2 161 . 36 ARG HD3 H 3.274 0.001 2 162 . 36 ARG HE H 7.469 0.002 1 163 . 36 ARG HG2 H 1.718 0.001 2 164 . 36 ARG HG3 H 1.566 0.004 2 165 . 36 ARG H H 10.236 0.004 1 166 . 37 CYS HA H 4.839 0.000 1 167 . 37 CYS HB2 H 4.180 0.003 2 168 . 37 CYS HB3 H 3.312 0.002 2 169 . 37 CYS H H 8.213 0.002 1 170 . 38 GLN HA H 4.062 0.002 1 171 . 38 GLN HB2 H 2.504 0.002 2 172 . 38 GLN HB3 H 2.182 0.004 2 173 . 38 GLN HE21 H 6.553 0.002 2 174 . 38 GLN HE22 H 6.042 0.002 2 175 . 38 GLN HG2 H 3.196 0.004 2 176 . 38 GLN H H 9.106 0.001 1 177 . 39 CYS HA H 4.923 0.000 1 178 . 39 CYS HB2 H 3.592 0.003 2 179 . 39 CYS HB3 H 2.716 0.002 2 180 . 39 CYS H H 8.058 0.002 1 181 . 40 ARG HA H 4.549 0.002 1 182 . 40 ARG HB2 H 2.061 0.003 2 183 . 40 ARG HB3 H 1.728 0.004 2 184 . 40 ARG HD2 H 3.208 0.002 2 185 . 40 ARG HE H 7.233 0.002 1 186 . 40 ARG HG2 H 1.610 0.009 2 187 . 40 ARG H H 8.396 0.002 1 188 . 41 GLY HA2 H 3.941 0.004 2 189 . 41 GLY H H 8.080 0.004 1 stop_ save_ save_shift_set_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $Ex-Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'EAFP2 monomer' _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 PCA HA H 3.524 0.001 1 2 . 1 PCA HB2 H 2.519 0.001 2 3 . 1 PCA HB3 H 2.062 0.005 2 4 . 1 PCA HG2 H 2.485 0.001 2 5 . 2 THR HA H 4.736 0.001 1 6 . 2 THR HB H 4.639 0.002 1 7 . 2 THR HG2 H 1.133 0.001 1 8 . 3 CYS HA H 4.216 0.001 1 9 . 3 CYS HB2 H 2.970 0.002 2 10 . 4 ALA HA H 4.443 0.003 1 11 . 4 ALA HB H 1.404 0.003 1 12 . 4 ALA H H 7.896 0.001 1 13 . 5 SER HA H 4.312 0.002 1 14 . 5 SER HB2 H 4.030 0.002 2 15 . 6 ARG HA H 4.652 0.002 1 16 . 6 ARG HB2 H 2.243 0.002 2 17 . 6 ARG HB3 H 1.475 0.003 2 18 . 6 ARG HD2 H 3.293 0.003 2 19 . 6 ARG HD3 H 3.216 0.005 2 20 . 6 ARG HG2 H 1.618 0.003 2 21 . 6 ARG H H 7.814 0.002 1 22 . 7 CYS HA H 4.298 0.002 1 23 . 7 CYS HB2 H 3.400 0.002 2 24 . 7 CYS HB3 H 2.771 0.004 2 25 . 7 CYS H H 7.303 0.000 1 26 . 8 PRO HA H 4.504 0.003 1 27 . 8 PRO HB2 H 2.451 0.002 2 28 . 8 PRO HB3 H 2.348 0.003 2 29 . 8 PRO HD2 H 3.644 0.003 2 30 . 8 PRO HD3 H 3.531 0.007 2 31 . 8 PRO HG2 H 2.030 0.001 2 32 . 8 PRO HG3 H 1.760 0.004 2 33 . 9 ARG HA H 5.133 0.002 1 34 . 9 ARG HB2 H 1.947 0.003 2 35 . 9 ARG HB3 H 1.525 0.000 2 36 . 9 ARG HD2 H 3.200 0.005 2 37 . 9 ARG HG2 H 1.444 0.000 2 38 . 10 PRO HA H 4.512 0.002 1 39 . 10 PRO HB2 H 2.342 0.003 2 40 . 10 PRO HB3 H 1.848 0.001 2 41 . 10 PRO HD2 H 4.104 0.003 2 42 . 10 PRO HD3 H 3.550 0.002 2 43 . 10 PRO HG2 H 2.162 0.003 2 44 . 10 PRO HG3 H 1.773 0.002 2 45 . 11 CYS HA H 5.067 0.002 1 46 . 11 CYS HB2 H 3.148 0.002 2 47 . 11 CYS HB3 H 2.591 0.003 2 48 . 11 CYS H H 9.330 0.002 1 49 . 12 ASN HA H 4.479 0.001 1 50 . 12 ASN HB2 H 2.895 0.002 2 51 . 12 ASN HB3 H 2.502 0.001 2 52 . 13 ALA HA H 3.891 0.001 1 53 . 13 ALA HB H 1.352 0.002 1 54 . 14 GLY HA2 H 4.295 0.003 2 55 . 14 GLY HA3 H 3.697 0.002 2 56 . 15 LEU HA H 4.604 0.002 1 57 . 15 LEU HB2 H 1.884 0.002 2 58 . 15 LEU HB3 H 1.241 0.003 2 59 . 15 LEU HD1 H 0.726 0.002 2 60 . 15 LEU HD2 H 0.608 0.003 2 61 . 15 LEU HG H 1.340 0.002 1 62 . 15 LEU H H 7.964 0.002 1 63 . 16 CYS HA H 5.160 0.002 1 64 . 16 CYS HB2 H 4.142 0.002 2 65 . 16 CYS HB3 H 2.358 0.003 2 66 . 16 CYS H H 8.962 0.002 1 67 . 17 CYS HA H 5.115 0.002 1 68 . 17 CYS HB2 H 2.949 0.002 2 69 . 17 CYS HB3 H 2.890 0.003 2 70 . 17 CYS H H 7.791 0.003 1 71 . 18 SER HA H 5.433 0.002 1 72 . 18 SER HB2 H 4.655 0.002 2 73 . 18 SER HB3 H 4.537 0.003 2 74 . 18 SER H H 9.674 0.002 1 75 . 19 ILE HA H 3.922 0.002 1 76 . 19 ILE HB H 1.720 0.002 1 77 . 19 ILE HD1 H 0.682 0.004 1 78 . 19 ILE HG12 H 0.848 0.003 2 79 . 19 ILE HG13 H 0.254 0.002 2 80 . 19 ILE HG2 H 0.602 0.002 1 81 . 19 ILE H H 8.597 0.001 1 82 . 20 TYR HA H 4.722 0.002 1 83 . 20 TYR HB2 H 3.622 0.002 2 84 . 20 TYR HB3 H 2.911 0.001 2 85 . 20 TYR HD1 H 7.221 0.002 1 86 . 20 TYR HE1 H 6.870 0.001 1 87 . 21 GLY HA2 H 4.256 0.002 2 88 . 21 GLY HA3 H 3.860 0.002 2 89 . 21 GLY H H 8.071 0.002 1 90 . 22 TYR HA H 4.893 0.003 1 91 . 22 TYR HB2 H 3.337 0.003 2 92 . 22 TYR HB3 H 3.051 0.002 2 93 . 22 TYR HD1 H 7.074 0.002 1 94 . 22 TYR HE1 H 6.848 0.003 1 95 . 22 TYR H H 7.553 0.002 1 96 . 23 CYS HA H 5.870 0.001 1 97 . 23 CYS HB2 H 3.012 0.002 2 98 . 23 CYS HB3 H 2.707 0.002 2 99 . 23 CYS H H 8.834 0.000 1 100 . 24 GLY HA2 H 3.579 0.002 2 101 . 24 GLY HA3 H 1.734 0.003 2 102 . 24 GLY H H 8.834 0.002 1 103 . 25 SER HA H 5.106 0.001 1 104 . 25 SER HB2 H 3.836 0.002 2 105 . 25 SER HB3 H 3.720 0.002 2 106 . 26 GLY HA2 H 4.582 0.003 2 107 . 26 GLY HA3 H 3.893 0.002 2 108 . 26 GLY H H 8.197 0.000 1 109 . 27 ALA HA H 3.995 0.001 1 110 . 27 ALA HB H 1.473 0.003 1 111 . 28 ALA HA H 4.019 0.001 1 112 . 28 ALA HB H 1.228 0.002 1 113 . 28 ALA H H 8.722 0.000 1 114 . 29 TYR HA H 4.276 0.003 1 115 . 29 TYR HB2 H 2.957 0.002 2 116 . 29 TYR HB3 H 2.669 0.002 2 117 . 29 TYR HD1 H 7.177 0.002 1 118 . 29 TYR HE1 H 6.760 0.001 1 119 . 29 TYR H H 7.508 0.002 1 120 . 30 CYS HA H 4.678 0.002 1 121 . 30 CYS HB2 H 3.406 0.002 2 122 . 30 CYS HB3 H 2.693 0.002 2 123 . 30 CYS H H 8.197 0.001 1 124 . 31 GLY HA2 H 4.092 0.005 2 125 . 31 GLY HA3 H 3.965 0.005 2 126 . 32 ALA HA H 4.150 0.002 1 127 . 32 ALA HB H 1.409 0.002 1 128 . 33 GLY HA2 H 4.199 0.001 2 129 . 33 GLY HA3 H 3.658 0.001 2 130 . 33 GLY H H 8.782 0.000 1 131 . 34 ASN HA H 4.848 0.002 1 132 . 34 ASN HB2 H 2.947 0.003 2 133 . 34 ASN HB3 H 2.342 0.002 2 134 . 35 CYS HA H 4.656 0.002 1 135 . 35 CYS HB2 H 3.413 0.003 2 136 . 35 CYS HB3 H 2.682 0.003 2 137 . 35 CYS H H 7.506 0.000 1 138 . 36 ARG HA H 4.419 0.005 1 139 . 36 ARG HB2 H 1.908 0.002 2 140 . 36 ARG HB3 H 1.427 0.003 2 141 . 36 ARG HD2 H 3.332 0.002 2 142 . 36 ARG HD3 H 3.274 0.003 2 143 . 36 ARG HG2 H 1.714 0.002 2 144 . 36 ARG HG3 H 1.574 0.002 2 145 . 36 ARG H H 10.210 0.002 1 146 . 37 CYS HA H 4.853 0.002 1 147 . 37 CYS HB2 H 4.178 0.002 2 148 . 37 CYS HB3 H 3.324 0.002 2 149 . 37 CYS H H 8.228 0.002 1 150 . 38 GLN HA H 4.109 0.001 1 151 . 38 GLN HB2 H 2.484 0.001 2 152 . 38 GLN HB3 H 2.183 0.004 2 153 . 38 GLN HG2 H 3.227 0.003 2 154 . 39 CYS HA H 4.899 0.001 1 155 . 39 CYS HB2 H 3.623 0.002 2 156 . 39 CYS HB3 H 2.716 0.003 2 157 . 39 CYS H H 8.045 0.001 1 158 . 40 ARG HA H 4.570 0.003 1 159 . 40 ARG HB2 H 2.105 0.002 2 160 . 40 ARG HB3 H 1.725 0.001 2 161 . 40 ARG HD2 H 3.214 0.002 2 162 . 40 ARG HG2 H 1.616 0.001 2 163 . 41 GLY HA2 H 3.918 0.000 2 stop_ save_