data_25458 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of an Odin-Sam1 fragment ; _BMRB_accession_number 25458 _BMRB_flat_file_name bmr25458.str _Entry_type original _Submission_date 2015-01-30 _Accession_date 2015-01-30 _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 Mercurio Flavia A. . 2 Leone Marilisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 267 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-11 update BMRB 'update entry citation' 2015-07-13 original author 'original release' stop_ _Original_release_date 2015-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26120079 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mercurio Flavia A. . 2 Natale Concetta Di . 3 Pirone Luciano . . 4 Scognamiglio Pasqualina L. . 5 Marasco Daniela . . 6 Pedone Emilia M. . 7 Saviano Michele . . 8 Leone Marilisa . . stop_ _Journal_abbreviation Chembiochem _Journal_volume 16 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1629 _Page_last 1636 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Odin-Sam1 fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4933.5 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; XSKLLLNGFDDVHFLGSNVM EEQDLRDIGISDPQHRRKLL QAARX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ACE 2 2 SER 3 3 LYS 4 4 LEU 5 5 LEU 6 6 LEU 7 7 ASN 8 8 GLY 9 9 PHE 10 10 ASP 11 11 ASP 12 12 VAL 13 13 HIS 14 14 PHE 15 15 LEU 16 16 GLY 17 17 SER 18 18 ASN 19 19 VAL 20 20 MET 21 21 GLU 22 22 GLU 23 23 GLN 24 24 ASP 25 25 LEU 26 26 ARG 27 27 ASP 28 28 ILE 29 29 GLY 30 30 ILE 31 31 SER 32 32 ASP 33 33 PRO 34 34 GLN 35 35 HIS 36 36 ARG 37 37 ARG 38 38 LYS 39 39 LEU 40 40 LEU 41 41 GLN 42 42 ALA 43 43 ALA 44 44 ARG 45 45 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 EMBL Q92625 'Ankyrin repeat and SAM domain containing protein 1A' . . . . . stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 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 DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 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 HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $entity_1 . . . . . . 'The peptide was chemically synthesized' 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 $entity_1 'chemical synthesis' . . . . . 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 $entity_1 600 uM 'natural abundance' H2O 30 '% v/v' 'natural abundance' '2,2,2-trifluoroethanol-d3 (TFE-d3)' 70 '% v/v' '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details 'Spectrometer provided with a cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 ACE H1 H 2.07 0.01 1 2 2 2 SER H H 7.55 0.01 1 3 2 2 SER HA H 4.41 0.01 1 4 2 2 SER HB2 H 4.02 0.01 2 5 2 2 SER HB3 H 3.86 0.01 2 6 3 3 LYS H H 8.31 0.01 1 7 3 3 LYS HA H 4.14 0.01 1 8 3 3 LYS HB2 H 1.90 0.01 2 9 3 3 LYS HB3 H 1.86 0.01 2 10 3 3 LYS HG2 H 1.58 0.01 2 11 3 3 LYS HG3 H 1.52 0.01 2 12 3 3 LYS HD2 H 1.75 0.01 1 13 3 3 LYS HD3 H 1.75 0.01 1 14 3 3 LYS HE2 H 3.02 0.01 1 15 3 3 LYS HE3 H 3.02 0.01 1 16 4 4 LEU H H 7.65 0.01 1 17 4 4 LEU HA H 4.20 0.01 1 18 4 4 LEU HB2 H 1.76 0.01 2 19 4 4 LEU HB3 H 1.64 0.01 2 20 4 4 LEU HG H 1.68 0.01 1 21 4 4 LEU HD1 H 0.98 0.01 2 22 4 4 LEU HD2 H 0.91 0.01 2 23 5 5 LEU H H 7.55 0.01 1 24 5 5 LEU HA H 4.25 0.01 1 25 5 5 LEU HB2 H 1.78 0.01 2 26 5 5 LEU HB3 H 1.69 0.01 2 27 5 5 LEU HG H 1.72 0.01 1 28 5 5 LEU HD1 H 0.98 0.01 2 29 5 5 LEU HD2 H 0.92 0.01 2 30 6 6 LEU H H 7.86 0.01 1 31 6 6 LEU HA H 4.27 0.01 1 32 6 6 LEU HB2 H 1.77 0.01 2 33 6 6 LEU HB3 H 1.71 0.01 2 34 6 6 LEU HG H 1.79 0.01 1 35 6 6 LEU HD1 H 0.92 0.01 1 36 6 6 LEU HD2 H 0.92 0.01 1 37 7 7 ASN H H 8.03 0.01 1 38 7 7 ASN HA H 4.61 0.01 1 39 7 7 ASN HB2 H 2.91 0.01 1 40 7 7 ASN HB3 H 2.91 0.01 1 41 7 7 ASN HD21 H 7.49 0.01 2 42 7 7 ASN HD22 H 6.63 0.01 2 43 8 8 GLY H H 8.17 0.01 1 44 8 8 GLY HA2 H 3.95 0.01 1 45 8 8 GLY HA3 H 3.95 0.01 1 46 9 9 PHE H H 8.29 0.01 1 47 9 9 PHE HA H 4.40 0.01 1 48 9 9 PHE HB2 H 3.30 0.01 2 49 9 9 PHE HB3 H 3.24 0.01 2 50 9 9 PHE HD1 H 7.30 0.01 3 51 9 9 PHE HD2 H 7.30 0.01 3 52 9 9 PHE HE1 H 7.20 0.01 3 53 9 9 PHE HE2 H 7.20 0.01 3 54 10 10 ASP H H 8.63 0.01 1 55 10 10 ASP HA H 4.57 0.01 1 56 10 10 ASP HB2 H 3.18 0.01 2 57 10 10 ASP HB3 H 3.00 0.01 2 58 11 11 ASP H H 8.47 0.01 1 59 11 11 ASP HA H 4.62 0.01 1 60 11 11 ASP HB2 H 3.22 0.01 2 61 11 11 ASP HB3 H 2.94 0.01 2 62 12 12 VAL H H 8.27 0.01 1 63 12 12 VAL HA H 3.86 0.01 1 64 12 12 VAL HB H 2.15 0.01 1 65 12 12 VAL HG1 H 1.09 0.01 2 66 12 12 VAL HG2 H 0.92 0.01 2 67 13 13 HIS H H 8.04 0.01 1 68 13 13 HIS HA H 4.36 0.01 1 69 13 13 HIS HB2 H 3.25 0.01 2 70 13 13 HIS HB3 H 3.15 0.01 2 71 13 13 HIS HD2 H 7.12 0.01 1 72 13 13 HIS HE1 H 8.02 0.01 1 73 14 14 PHE H H 8.46 0.01 1 74 14 14 PHE HA H 4.45 0.01 1 75 14 14 PHE HB2 H 3.34 0.01 1 76 14 14 PHE HB3 H 3.34 0.01 1 77 14 14 PHE HD1 H 7.31 0.01 3 78 14 14 PHE HD2 H 7.31 0.01 3 79 14 14 PHE HE1 H 7.37 0.01 3 80 14 14 PHE HE2 H 7.37 0.01 3 81 15 15 LEU H H 8.50 0.01 1 82 15 15 LEU HA H 4.13 0.01 1 83 15 15 LEU HB2 H 1.89 0.01 2 84 15 15 LEU HB3 H 1.71 0.01 2 85 15 15 LEU HG H 1.87 0.01 1 86 15 15 LEU HD1 H 0.98 0.01 1 87 15 15 LEU HD2 H 0.98 0.01 1 88 16 16 GLY H H 8.47 0.01 1 89 16 16 GLY HA2 H 3.85 0.01 1 90 16 16 GLY HA3 H 3.85 0.01 1 91 17 17 SER H H 7.99 0.01 1 92 17 17 SER HA H 4.29 0.01 1 93 17 17 SER HB2 H 4.02 0.01 1 94 17 17 SER HB3 H 4.02 0.01 1 95 18 18 ASN H H 7.81 0.01 1 96 18 18 ASN HA H 4.51 0.01 1 97 18 18 ASN HB2 H 2.85 0.01 2 98 18 18 ASN HB3 H 2.67 0.01 2 99 18 18 ASN HD21 H 6.91 0.01 2 100 18 18 ASN HD22 H 5.70 0.01 2 101 19 19 VAL H H 8.20 0.01 1 102 19 19 VAL HA H 3.73 0.01 1 103 19 19 VAL HB H 2.23 0.01 1 104 19 19 VAL HG1 H 1.09 0.01 2 105 19 19 VAL HG2 H 0.99 0.01 2 106 20 20 MET H H 8.13 0.01 1 107 20 20 MET HA H 4.22 0.01 1 108 20 20 MET HB2 H 2.21 0.01 1 109 20 20 MET HB3 H 2.21 0.01 1 110 20 20 MET HG2 H 2.71 0.01 2 111 20 20 MET HG3 H 2.60 0.01 2 112 21 21 GLU H H 8.13 0.01 1 113 21 21 GLU HA H 4.13 0.01 1 114 21 21 GLU HB2 H 2.29 0.01 2 115 21 21 GLU HB3 H 2.21 0.01 2 116 21 21 GLU HG2 H 2.61 0.01 2 117 21 21 GLU HG3 H 2.52 0.01 2 118 22 22 GLU H H 8.22 0.01 1 119 22 22 GLU HA H 4.06 0.01 1 120 22 22 GLU HB2 H 2.30 0.01 1 121 22 22 GLU HB3 H 2.30 0.01 1 122 22 22 GLU HG2 H 2.70 0.01 2 123 22 22 GLU HG3 H 2.52 0.01 2 124 23 23 GLN H H 8.28 0.01 1 125 23 23 GLN HA H 4.02 0.01 1 126 23 23 GLN HB2 H 2.30 0.01 2 127 23 23 GLN HB3 H 2.23 0.01 2 128 23 23 GLN HG2 H 2.51 0.01 1 129 23 23 GLN HG3 H 2.51 0.01 1 130 23 23 GLN HE21 H 7.08 0.01 2 131 23 23 GLN HE22 H 6.48 0.01 2 132 24 24 ASP H H 8.38 0.01 1 133 24 24 ASP HA H 4.52 0.01 1 134 24 24 ASP HB2 H 3.21 0.01 2 135 24 24 ASP HB3 H 2.86 0.01 2 136 25 25 LEU H H 8.30 0.01 1 137 25 25 LEU HB2 H 2.01 0.01 2 138 25 25 LEU HB3 H 1.90 0.01 2 139 25 25 LEU HG H 1.90 0.01 1 140 25 25 LEU HD1 H 0.95 0.01 2 141 25 25 LEU HD2 H 0.93 0.01 2 142 26 26 ARG H H 8.09 0.01 1 143 26 26 ARG HA H 4.10 0.01 1 144 26 26 ARG HB2 H 2.02 0.01 1 145 26 26 ARG HB3 H 2.02 0.01 1 146 26 26 ARG HG2 H 1.90 0.01 2 147 26 26 ARG HG3 H 1.67 0.01 2 148 26 26 ARG HD2 H 3.23 0.01 1 149 26 26 ARG HD3 H 3.23 0.01 1 150 26 26 ARG HE H 7.01 0.01 1 151 27 27 ASP H H 8.28 0.01 1 152 27 27 ASP HA H 4.56 0.01 1 153 27 27 ASP HB2 H 2.97 0.01 2 154 27 27 ASP HB3 H 2.93 0.01 2 155 28 28 ILE H H 8.26 0.01 1 156 28 28 ILE HA H 3.89 0.01 1 157 28 28 ILE HB H 2.02 0.01 1 158 28 28 ILE HG12 H 1.81 0.01 2 159 28 28 ILE HG13 H 1.23 0.01 2 160 28 28 ILE HG2 H 0.98 0.01 1 161 28 28 ILE HD1 H 0.92 0.01 1 162 29 29 GLY H H 8.20 0.01 1 163 29 29 GLY HA2 H 3.95 0.01 1 164 29 29 GLY HA3 H 3.95 0.01 1 165 30 30 ILE H H 7.96 0.01 1 166 30 30 ILE HA H 4.11 0.01 1 167 30 30 ILE HB H 2.01 0.01 1 168 30 30 ILE HG12 H 1.64 0.01 2 169 30 30 ILE HG13 H 1.33 0.01 2 170 30 30 ILE HG2 H 0.99 0.01 1 171 30 30 ILE HD1 H 0.92 0.01 1 172 31 31 SER H H 7.88 0.01 1 173 31 31 SER HA H 4.40 0.01 1 174 31 31 SER HB2 H 4.06 0.01 2 175 31 31 SER HB3 H 3.97 0.01 2 176 32 32 ASP H H 7.96 0.01 1 177 32 32 ASP HA H 4.91 0.01 1 178 32 32 ASP HB2 H 3.00 0.01 1 179 32 32 ASP HB3 H 3.00 0.01 1 180 33 33 PRO HA H 4.31 0.01 1 181 33 33 PRO HB2 H 2.43 0.01 2 182 33 33 PRO HB3 H 2.01 0.01 2 183 33 33 PRO HG2 H 2.17 0.01 2 184 33 33 PRO HG3 H 2.12 0.01 2 185 33 33 PRO HD2 H 4.04 0.01 2 186 33 33 PRO HD3 H 3.97 0.01 2 187 34 34 GLN H H 8.19 0.01 1 188 34 34 GLN HA H 4.16 0.01 1 189 34 34 GLN HB2 H 2.13 0.01 1 190 34 34 GLN HB3 H 2.13 0.01 1 191 34 34 GLN HG2 H 2.46 0.01 2 192 34 34 GLN HG3 H 2.42 0.01 2 193 34 34 GLN HE21 H 7.24 0.01 2 194 34 34 GLN HE22 H 6.51 0.01 2 195 35 35 HIS H H 8.05 0.01 1 196 35 35 HIS HA H 4.47 0.01 1 197 35 35 HIS HB2 H 3.42 0.01 2 198 35 35 HIS HB3 H 3.47 0.01 2 199 35 35 HIS HD2 H 7.29 0.01 1 200 35 35 HIS HE1 H 8.56 0.01 1 201 36 36 ARG H H 8.23 0.01 1 202 36 36 ARG HA H 4.07 0.01 1 203 36 36 ARG HB2 H 2.01 0.01 2 204 36 36 ARG HB3 H 1.94 0.01 2 205 36 36 ARG HG2 H 1.84 0.01 2 206 36 36 ARG HG3 H 1.70 0.01 2 207 36 36 ARG HD2 H 3.29 0.01 1 208 36 36 ARG HD3 H 3.29 0.01 1 209 36 36 ARG HE H 7.20 0.01 1 210 37 37 ARG H H 8.21 0.01 1 211 37 37 ARG HA H 4.07 0.01 1 212 37 37 ARG HB2 H 1.97 0.01 1 213 37 37 ARG HB3 H 1.97 0.01 1 214 37 37 ARG HG2 H 1.83 0.01 2 215 37 37 ARG HG3 H 1.70 0.01 2 216 37 37 ARG HD2 H 3.23 0.01 1 217 37 37 ARG HD3 H 3.23 0.01 1 218 37 37 ARG HE H 7.19 0.01 1 219 38 38 LYS H H 7.69 0.01 1 220 38 38 LYS HA H 4.15 0.01 1 221 38 38 LYS HB2 H 1.99 0.01 1 222 38 38 LYS HB3 H 1.99 0.01 1 223 38 38 LYS HG2 H 1.63 0.01 2 224 38 38 LYS HG3 H 1.55 0.01 2 225 38 38 LYS HD2 H 1.75 0.01 1 226 38 38 LYS HD3 H 1.75 0.01 1 227 38 38 LYS HE2 H 3.00 0.01 1 228 38 38 LYS HE3 H 3.00 0.01 1 229 39 39 LEU H H 7.84 0.01 1 230 39 39 LEU HA H 4.17 0.01 1 231 39 39 LEU HB2 H 1.84 0.01 2 232 39 39 LEU HB3 H 1.72 0.01 2 233 39 39 LEU HG H 1.86 0.01 1 234 39 39 LEU HD1 H 0.92 0.01 1 235 39 39 LEU HD2 H 0.92 0.01 1 236 40 40 LEU H H 8.03 0.01 1 237 40 40 LEU HA H 4.14 0.01 1 238 40 40 LEU HB2 H 1.88 0.01 2 239 40 40 LEU HB3 H 1.64 0.01 2 240 40 40 LEU HG H 1.81 0.01 1 241 40 40 LEU HD1 H 0.92 0.01 1 242 40 40 LEU HD2 H 0.92 0.01 1 243 41 41 GLN H H 8.01 0.01 1 244 41 41 GLN HA H 4.08 0.01 1 245 41 41 GLN HB2 H 2.22 0.01 1 246 41 41 GLN HB3 H 2.22 0.01 1 247 41 41 GLN HG2 H 2.57 0.01 2 248 41 41 GLN HG3 H 2.41 0.01 2 249 41 41 GLN HE21 H 7.20 0.01 2 250 41 41 GLN HE22 H 6.53 0.01 2 251 42 42 ALA H H 8.03 0.01 1 252 42 42 ALA HA H 4.22 0.01 1 253 42 42 ALA HB H 1.55 0.01 1 254 43 43 ALA H H 8.09 0.01 1 255 43 43 ALA HA H 4.24 0.01 1 256 43 43 ALA HB H 1.53 0.01 1 257 44 44 ARG H H 7.77 0.01 1 258 44 44 ARG HA H 4.30 0.01 1 259 44 44 ARG HB2 H 2.01 0.01 2 260 44 44 ARG HB3 H 1.91 0.01 2 261 44 44 ARG HG2 H 1.83 0.01 2 262 44 44 ARG HG3 H 1.74 0.01 2 263 44 44 ARG HD2 H 3.23 0.01 1 264 44 44 ARG HD3 H 3.23 0.01 1 265 44 44 ARG HE H 7.12 0.01 1 266 45 45 NH2 HN1 H 7.26 0.01 2 267 45 45 NH2 HN2 H 6.77 0.01 2 stop_ save_