data_27193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N chemical shift for Y39E EVH1 ; _BMRB_accession_number 27193 _BMRB_flat_file_name bmr27193.str _Entry_type original _Submission_date 2017-07-22 _Accession_date 2017-07-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift assignment of amide proton and Nitrogen for phosphomimetic mutant Y39E of EVH1 domain of VASP.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acevedo Lucila A. . 2 Greenwood Alexander I. . 3 Nicholson Linda K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 134 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-02 update BMRB 'update entry citation' 2017-08-23 original author 'original release' stop_ _Original_release_date 2017-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Noncanonical Binding Site in the EVH1 Domain of Vasodilator-Stimulated Phosphoprotein Regulates Its Interactions with the Proline Rich Region of Zyxin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28783324 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acevedo 'Lucila Andrea' A. . 2 Greenwood Alexander I. . 3 Nicholson Linda K. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 56 _Journal_issue 35 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4626 _Page_last 4636 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Y39E EVH1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Y39E EVH1' $Y39E_EVH1 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_Y39E_EVH1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Y39E_EVH1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GPGGRMSSETVICSSRATVM LYDDGNKRWLPAGTGPQAFS RVQIEHNPTANSFRVVGRKM QPDQQVVINCAIVRGVKYNQ ATPNFHQWRDARQVWGLNFG SKEDAAQFAAGMASALEALE G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 PRO 3 -3 GLY 4 -2 GLY 5 -1 ARG 6 0 MET 7 1 SER 8 2 SER 9 3 GLU 10 4 THR 11 5 VAL 12 6 ILE 13 7 CYS 14 8 SER 15 9 SER 16 10 ARG 17 11 ALA 18 12 THR 19 13 VAL 20 14 MET 21 15 LEU 22 16 TYR 23 17 ASP 24 18 ASP 25 19 GLY 26 20 ASN 27 21 LYS 28 22 ARG 29 23 TRP 30 24 LEU 31 25 PRO 32 26 ALA 33 27 GLY 34 28 THR 35 29 GLY 36 30 PRO 37 31 GLN 38 32 ALA 39 33 PHE 40 34 SER 41 35 ARG 42 36 VAL 43 37 GLN 44 38 ILE 45 39 GLU 46 40 HIS 47 41 ASN 48 42 PRO 49 43 THR 50 44 ALA 51 45 ASN 52 46 SER 53 47 PHE 54 48 ARG 55 49 VAL 56 50 VAL 57 51 GLY 58 52 ARG 59 53 LYS 60 54 MET 61 55 GLN 62 56 PRO 63 57 ASP 64 58 GLN 65 59 GLN 66 60 VAL 67 61 VAL 68 62 ILE 69 63 ASN 70 64 CYS 71 65 ALA 72 66 ILE 73 67 VAL 74 68 ARG 75 69 GLY 76 70 VAL 77 71 LYS 78 72 TYR 79 73 ASN 80 74 GLN 81 75 ALA 82 76 THR 83 77 PRO 84 78 ASN 85 79 PHE 86 80 HIS 87 81 GLN 88 82 TRP 89 83 ARG 90 84 ASP 91 85 ALA 92 86 ARG 93 87 GLN 94 88 VAL 95 89 TRP 96 90 GLY 97 91 LEU 98 92 ASN 99 93 PHE 100 94 GLY 101 95 SER 102 96 LYS 103 97 GLU 104 98 ASP 105 99 ALA 106 100 ALA 107 101 GLN 108 102 PHE 109 103 ALA 110 104 ALA 111 105 GLY 112 106 MET 113 107 ALA 114 108 SER 115 109 ALA 116 110 LEU 117 111 GLU 118 112 ALA 119 113 LEU 120 114 GLU 121 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Y39E_EVH1 Human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $Y39E_EVH1 'recombinant technology' . Escherichia coli . pMW172 'His tag and 3CPRO recognition cleavage' 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 $Y39E_EVH1 0.23 mM '[U-99% 15N]' 'potassium chloride' 50 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' TCEP 1 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 'ionic strength' 94.76 . mM pH 6.7 . pH 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'Y39E EVH1' _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 0 6 MET H H 8.543 0.000 1 2 0 6 MET N N 121.996 0.000 1 3 2 8 SER H H 8.333 0.000 1 4 2 8 SER N N 117.485 0.000 1 5 3 9 GLU H H 8.286 0.000 1 6 3 9 GLU N N 121.278 0.000 1 7 4 10 THR H H 8.720 0.000 1 8 4 10 THR N N 116.532 0.000 1 9 5 11 VAL H H 8.671 0.000 1 10 5 11 VAL N N 126.225 0.000 1 11 6 12 ILE H H 8.985 0.000 1 12 6 12 ILE N N 126.527 0.000 1 13 7 13 CYS H H 7.357 0.000 1 14 7 13 CYS N N 113.165 0.000 1 15 8 14 SER H H 8.635 0.000 1 16 8 14 SER N N 117.195 0.000 1 17 9 15 SER H H 9.339 0.000 1 18 9 15 SER N N 120.531 0.000 1 19 10 16 ARG H H 8.868 0.000 1 20 10 16 ARG N N 124.482 0.000 1 21 11 17 ALA H H 9.197 0.000 1 22 11 17 ALA N N 126.109 0.000 1 23 12 18 THR H H 8.912 0.000 1 24 12 18 THR N N 119.077 0.000 1 25 13 19 VAL H H 8.283 0.000 1 26 13 19 VAL N N 128.133 0.000 1 27 14 20 MET H H 9.945 0.000 1 28 14 20 MET N N 130.040 0.000 1 29 15 21 LEU H H 9.643 0.000 1 30 15 21 LEU N N 121.590 0.000 1 31 16 22 TYR H H 8.159 0.000 1 32 16 22 TYR N N 125.786 0.000 1 33 17 23 ASP H H 8.130 0.000 1 34 17 23 ASP N N 128.679 0.000 1 35 18 24 ASP H H 8.352 0.000 1 36 18 24 ASP N N 124.108 0.000 1 37 19 25 GLY H H 8.355 0.000 1 38 19 25 GLY N N 106.987 0.000 1 39 20 26 ASN H H 7.316 0.000 1 40 20 26 ASN HD21 H 8.340 0.000 1 41 20 26 ASN HD22 H 6.862 0.000 1 42 20 26 ASN N N 116.052 0.000 1 43 20 26 ASN ND2 N 117.017 0.005 1 44 21 27 LYS H H 7.689 0.000 1 45 21 27 LYS N N 118.610 0.000 1 46 22 28 ARG H H 6.996 0.000 1 47 22 28 ARG N N 114.100 0.000 1 48 23 29 TRP H H 8.742 0.000 1 49 23 29 TRP HE1 H 10.109 0.000 1 50 23 29 TRP N N 121.898 0.000 1 51 23 29 TRP NE1 N 130.066 0.000 1 52 24 30 LEU H H 9.084 0.000 1 53 24 30 LEU N N 123.500 0.000 1 54 26 32 ALA H H 8.425 0.000 1 55 26 32 ALA N N 126.309 0.000 1 56 27 33 GLY H H 8.920 0.000 1 57 27 33 GLY N N 110.854 0.000 1 58 28 34 THR H H 8.689 0.000 1 59 28 34 THR N N 111.863 0.000 1 60 29 35 GLY H H 8.538 0.000 1 61 29 35 GLY N N 109.630 0.000 1 62 31 37 GLN H H 8.494 0.000 1 63 31 37 GLN HE21 H 7.429 0.000 1 64 31 37 GLN HE22 H 6.829 0.000 1 65 31 37 GLN N N 122.598 0.000 1 66 31 37 GLN NE2 N 112.040 0.001 1 67 32 38 ALA H H 8.917 0.000 1 68 32 38 ALA N N 127.577 0.000 1 69 33 39 PHE H H 8.559 0.000 1 70 33 39 PHE N N 118.329 0.000 1 71 34 40 SER H H 8.850 0.000 1 72 34 40 SER N N 115.306 0.000 1 73 35 41 ARG H H 8.574 0.000 1 74 35 41 ARG N N 122.542 0.000 1 75 36 42 VAL H H 9.459 0.000 1 76 36 42 VAL N N 129.259 0.000 1 77 37 43 GLN H H 9.327 0.000 1 78 37 43 GLN HE21 H 8.332 0.000 1 79 37 43 GLN HE22 H 6.970 0.000 1 80 37 43 GLN N N 123.344 0.000 1 81 37 43 GLN NE2 N 113.660 0.000 1 82 38 44 ILE H H 7.646 0.000 1 83 38 44 ILE N N 119.558 0.000 1 84 39 45 GLU H H 9.413 0.000 1 85 39 45 GLU N N 127.370 0.000 1 86 40 46 HIS H H 9.479 0.000 1 87 40 46 HIS N N 124.620 0.000 1 88 41 47 ASN H H 8.205 0.000 1 89 41 47 ASN N N 125.320 0.000 1 90 43 49 THR H H 7.681 0.000 1 91 43 49 THR N N 113.966 0.000 1 92 44 50 ALA H H 7.052 0.000 1 93 44 50 ALA N N 122.003 0.000 1 94 45 51 ASN H H 7.935 0.000 1 95 45 51 ASN N N 117.315 0.000 1 96 46 52 SER H H 7.511 0.000 1 97 46 52 SER N N 109.288 0.000 1 98 47 53 PHE H H 9.414 0.000 1 99 47 53 PHE N N 120.941 0.000 1 100 48 54 ARG H H 8.947 0.000 1 101 48 54 ARG N N 119.859 0.000 1 102 49 55 VAL H H 9.081 0.000 1 103 49 55 VAL N N 122.421 0.000 1 104 50 56 VAL H H 8.862 0.000 1 105 50 56 VAL N N 125.615 0.000 1 106 51 57 GLY H H 9.028 0.000 1 107 51 57 GLY N N 115.717 0.000 1 108 52 58 ARG H H 8.141 0.000 1 109 52 58 ARG N N 123.743 0.000 1 110 53 59 LYS H H 9.218 0.000 1 111 53 59 LYS N N 125.582 0.000 1 112 54 60 MET H H 8.918 0.000 1 113 54 60 MET N N 122.426 0.000 1 114 55 61 GLN H H 8.338 0.000 1 115 55 61 GLN N N 120.610 0.000 1 116 57 63 ASP H H 8.274 0.000 1 117 57 63 ASP N N 113.231 0.000 1 118 58 64 GLN H H 8.387 0.000 1 119 58 64 GLN HE21 H 7.446 0.000 1 120 58 64 GLN HE22 H 6.795 0.000 1 121 58 64 GLN N N 116.206 0.000 1 122 58 64 GLN NE2 N 112.567 0.000 1 123 59 65 GLN H H 7.478 0.000 1 124 59 65 GLN HE21 H 7.783 0.000 1 125 59 65 GLN HE22 H 7.085 0.000 1 126 59 65 GLN N N 116.132 0.000 1 127 59 65 GLN NE2 N 111.785 0.001 1 128 60 66 VAL H H 8.790 0.000 1 129 60 66 VAL N N 127.379 0.000 1 130 61 67 VAL H H 8.415 0.000 1 131 61 67 VAL N N 120.978 0.000 1 132 62 68 ILE H H 7.259 0.000 1 133 62 68 ILE N N 116.941 0.000 1 134 63 69 ASN H H 8.204 0.000 1 135 63 69 ASN HD21 H 7.384 0.000 1 136 63 69 ASN HD22 H 6.796 0.000 1 137 63 69 ASN N N 125.303 0.000 1 138 63 69 ASN ND2 N 109.518 0.003 1 139 64 70 CYS H H 8.960 0.000 1 140 64 70 CYS N N 120.915 0.000 1 141 65 71 ALA H H 8.966 0.000 1 142 65 71 ALA N N 127.609 0.000 1 143 66 72 ILE H H 8.356 0.000 1 144 66 72 ILE N N 123.931 0.000 1 145 67 73 VAL H H 6.852 0.000 1 146 67 73 VAL N N 118.494 0.000 1 147 68 74 ARG H H 8.489 0.000 1 148 68 74 ARG N N 120.034 0.000 1 149 69 75 GLY H H 9.037 0.000 1 150 69 75 GLY N N 113.596 0.000 1 151 70 76 VAL H H 7.535 0.000 1 152 70 76 VAL N N 121.635 0.000 1 153 71 77 LYS H H 8.526 0.000 1 154 71 77 LYS N N 126.999 0.000 1 155 72 78 TYR H H 8.771 0.000 1 156 72 78 TYR N N 128.339 0.000 1 157 73 79 ASN H H 9.146 0.000 1 158 73 79 ASN HD21 H 7.254 0.000 1 159 73 79 ASN HD22 H 6.815 0.000 1 160 73 79 ASN N N 127.319 0.000 1 161 73 79 ASN ND2 N 110.891 0.000 1 162 74 80 GLN H H 8.815 0.000 1 163 74 80 GLN N N 125.880 0.000 1 164 75 81 ALA H H 7.769 0.000 1 165 75 81 ALA N N 129.949 0.000 1 166 76 82 THR H H 8.822 0.000 1 167 76 82 THR N N 109.973 0.000 1 168 78 84 ASN H H 7.846 0.000 1 169 78 84 ASN HD21 H 7.476 0.000 1 170 78 84 ASN HD22 H 6.680 0.000 1 171 78 84 ASN N N 109.629 0.000 1 172 78 84 ASN ND2 N 111.481 0.001 1 173 79 85 PHE H H 7.919 0.000 1 174 79 85 PHE N N 123.331 0.000 1 175 80 86 HIS H H 8.090 0.000 1 176 80 86 HIS N N 126.449 0.000 1 177 81 87 GLN H H 8.860 0.000 1 178 81 87 GLN HE21 H 6.692 0.000 1 179 81 87 GLN HE22 H 6.584 0.000 1 180 81 87 GLN N N 115.544 0.000 1 181 81 87 GLN NE2 N 108.927 0.002 1 182 82 88 TRP H H 9.051 0.000 1 183 82 88 TRP HE1 H 9.843 0.000 1 184 82 88 TRP N N 119.528 0.000 1 185 82 88 TRP NE1 N 127.789 0.000 1 186 83 89 ARG H H 8.490 0.000 1 187 83 89 ARG N N 119.771 0.000 1 188 84 90 ASP H H 8.995 0.000 1 189 84 90 ASP N N 126.615 0.000 1 190 85 91 ALA H H 8.599 0.000 1 191 85 91 ALA N N 122.144 0.000 1 192 86 92 ARG H H 8.599 0.000 1 193 86 92 ARG N N 117.499 0.000 1 194 87 93 GLN H H 8.586 0.000 1 195 87 93 GLN HE21 H 7.475 0.000 1 196 87 93 GLN HE22 H 6.746 0.000 1 197 87 93 GLN N N 119.881 0.000 1 198 87 93 GLN NE2 N 113.092 0.000 1 199 88 94 VAL H H 8.260 0.000 1 200 88 94 VAL N N 121.882 0.000 1 201 89 95 TRP H H 8.400 0.000 1 202 89 95 TRP HE1 H 10.082 0.000 1 203 89 95 TRP N N 127.706 0.000 1 204 89 95 TRP NE1 N 127.658 0.000 1 205 90 96 GLY H H 8.909 0.000 1 206 90 96 GLY N N 106.299 0.000 1 207 91 97 LEU H H 8.497 0.000 1 208 91 97 LEU N N 121.737 0.000 1 209 92 98 ASN H H 8.081 0.000 1 210 92 98 ASN HD21 H 7.097 0.000 1 211 92 98 ASN HD22 H 6.705 0.000 1 212 92 98 ASN N N 119.939 0.000 1 213 92 98 ASN ND2 N 110.131 0.002 1 214 93 99 PHE H H 9.075 0.000 1 215 93 99 PHE N N 124.491 0.000 1 216 94 100 GLY H H 9.163 0.000 1 217 94 100 GLY N N 107.402 0.000 1 218 95 101 SER H H 7.646 0.000 1 219 95 101 SER N N 110.323 0.000 1 220 97 103 GLU H H 8.892 0.000 1 221 97 103 GLU N N 122.241 0.000 1 222 98 104 ASP H H 7.900 0.000 1 223 98 104 ASP N N 120.921 0.000 1 224 99 105 ALA H H 7.198 0.000 1 225 99 105 ALA N N 122.521 0.000 1 226 100 106 ALA H H 8.038 0.000 1 227 100 106 ALA N N 119.768 0.000 1 228 101 107 GLN H H 8.003 0.000 1 229 101 107 GLN N N 117.805 0.000 1 230 102 108 PHE H H 7.842 0.000 1 231 102 108 PHE N N 123.394 0.000 1 232 103 109 ALA H H 8.667 0.000 1 233 103 109 ALA N N 120.279 0.000 1 234 104 110 ALA H H 7.766 0.000 1 235 104 110 ALA N N 120.367 0.000 1 236 105 111 GLY H H 7.701 0.000 1 237 105 111 GLY N N 109.030 0.000 1 238 106 112 MET H H 8.174 0.000 1 239 106 112 MET N N 122.471 0.000 1 240 107 113 ALA H H 7.879 0.000 1 241 107 113 ALA N N 120.137 0.000 1 242 108 114 SER H H 7.684 0.000 1 243 108 114 SER N N 114.390 0.000 1 244 109 115 ALA H H 7.730 0.000 1 245 109 115 ALA N N 126.458 0.000 1 246 110 116 LEU H H 8.041 0.000 1 247 110 116 LEU N N 115.428 0.000 1 248 111 117 GLU H H 7.870 0.000 1 249 111 117 GLU N N 118.947 0.000 1 250 112 118 ALA H H 7.533 0.000 1 251 112 118 ALA N N 122.406 0.000 1 252 113 119 LEU H H 7.730 0.000 1 253 113 119 LEU N N 117.538 0.000 1 254 114 120 GLU H H 7.634 0.000 1 255 114 120 GLU N N 118.756 0.000 1 256 115 121 GLY H H 7.612 0.000 1 257 115 121 GLY N N 113.448 0.000 1 stop_ save_