data_25257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shifts of Y99E mutant CaM with eNOS ; _BMRB_accession_number 25257 _BMRB_flat_file_name bmr25257.str _Entry_type original _Submission_date 2014-09-30 _Accession_date 2014-09-30 _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 Piazza Michael . . 2 Dieckmann Thorsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-14 update BMRB 'update entry citation' 2015-09-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18028 'CaM bound to eNOS peptides' 25253 'Y99E,N111D CAM-iNOS' stop_ _Original_release_date 2015-09-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift perturbations induced by residue specific mutations of CaM interacting with NOS peptides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25604396 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piazza Michael . . 2 Dieckmann Thorsten . . 3 Guillemette Guy . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 302 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Y99E CAM-eNOS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaM $CaM eNOS $eNOS 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_CaM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaM _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGEI SAAELRHVMTDLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 GLU 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASP 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_eNOS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common eNOS _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence ; KKTFKEVANAVKISASL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 LYS 3 3 THR 4 4 PHE 5 5 LYS 6 6 GLU 7 7 VAL 8 8 ALA 9 9 ASN 10 10 ALA 11 11 VAL 12 12 LYS 13 13 ILE 14 14 SER 15 15 ALA 16 16 SER 17 17 LEU 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 $CaM 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 $CaM 'recombinant technology' . Escherichia coli . pET28a 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 $CaM 1 mM '[U-99% 13C; U-99% 15N]' $eNOS 1 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium azide' 0.2 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 6.0 . 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 CaM _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 2 2 ASP H H 8.493 0.020 1 2 2 2 ASP N N 120.229 0.3 1 3 3 3 GLN H H 8.207 0.020 1 4 3 3 GLN N N 119.571 0.3 1 5 4 4 LEU H H 8.177 0.020 1 6 4 4 LEU N N 122.970 0.3 1 7 5 5 THR H H 8.611 0.020 1 8 5 5 THR N N 112.923 0.3 1 9 6 6 GLU H H 8.875 0.020 1 10 6 6 GLU N N 120.083 0.3 1 11 7 7 GLU H H 8.532 0.020 1 12 7 7 GLU N N 119.246 0.3 1 13 8 8 GLN H H 7.586 0.020 1 14 8 8 GLN N N 119.770 0.3 1 15 9 9 ILE H H 8.271 0.020 1 16 9 9 ILE N N 119.252 0.3 1 17 10 10 ALA H H 7.840 0.020 1 18 10 10 ALA N N 120.938 0.3 1 19 11 11 GLU H H 7.637 0.020 1 20 11 11 GLU N N 118.880 0.3 1 21 12 12 PHE H H 8.449 0.020 1 22 12 12 PHE N N 119.525 0.3 1 23 13 13 LYS H H 9.106 0.020 1 24 13 13 LYS N N 123.495 0.3 1 25 14 14 GLU H H 7.653 0.020 1 26 14 14 GLU N N 119.053 0.3 1 27 15 15 ALA H H 7.789 0.020 1 28 15 15 ALA N N 121.934 0.3 1 29 16 16 PHE H H 8.766 0.020 1 30 16 16 PHE N N 118.861 0.3 1 31 17 17 SER H H 7.826 0.020 1 32 17 17 SER N N 111.507 0.3 1 33 18 18 LEU H H 7.237 0.020 1 34 18 18 LEU N N 121.142 0.3 1 35 19 19 PHE H H 7.071 0.020 1 36 19 19 PHE N N 114.305 0.3 1 37 20 20 ASP H H 7.664 0.020 1 38 20 20 ASP N N 115.786 0.3 1 39 21 21 LYS H H 7.550 0.020 1 40 21 21 LYS N N 124.882 0.3 1 41 22 22 ASP H H 7.962 0.020 1 42 22 22 ASP N N 113.582 0.3 1 43 23 23 GLY H H 7.599 0.020 1 44 23 23 GLY N N 109.251 0.3 1 45 24 24 ASP H H 8.254 0.020 1 46 24 24 ASP N N 120.421 0.3 1 47 25 25 GLY H H 10.560 0.020 1 48 25 25 GLY N N 113.190 0.3 1 49 26 26 THR H H 8.021 0.020 1 50 26 26 THR N N 112.893 0.3 1 51 27 27 ILE H H 9.682 0.020 1 52 27 27 ILE N N 127.001 0.3 1 53 28 28 THR H H 8.264 0.020 1 54 28 28 THR N N 116.659 0.3 1 55 29 29 THR H H 9.056 0.020 1 56 29 29 THR N N 113.245 0.3 1 57 30 30 LYS H H 7.575 0.020 1 58 30 30 LYS N N 121.098 0.3 1 59 31 31 GLU H H 7.710 0.020 1 60 31 31 GLU N N 122.001 0.3 1 61 33 33 GLY H H 8.383 0.020 1 62 33 33 GLY N N 103.650 0.3 1 63 34 34 THR H H 7.928 0.020 1 64 34 34 THR N N 117.566 0.3 1 65 35 35 VAL H H 7.091 0.020 1 66 35 35 VAL N N 120.234 0.3 1 67 36 36 MET H H 8.323 0.020 1 68 36 36 MET N N 117.714 0.3 1 69 37 37 ARG H H 8.230 0.020 1 70 37 37 ARG N N 117.626 0.3 1 71 38 38 SER H H 7.879 0.020 1 72 38 38 SER N N 118.880 0.3 1 73 39 39 LEU H H 7.258 0.020 1 74 39 39 LEU N N 118.681 0.3 1 75 40 40 GLY H H 7.460 0.020 1 76 40 40 GLY N N 104.808 0.3 1 77 41 41 GLN H H 7.869 0.020 1 78 41 41 GLN N N 117.938 0.3 1 79 42 42 ASN H H 8.557 0.020 1 80 42 42 ASN N N 115.663 0.3 1 81 44 44 THR H H 8.894 0.020 1 82 44 44 THR N N 113.567 0.3 1 83 45 45 GLU H H 8.654 0.020 1 84 45 45 GLU N N 120.295 0.3 1 85 46 46 ALA H H 8.137 0.020 1 86 46 46 ALA N N 120.487 0.3 1 87 47 47 GLU H H 7.591 0.020 1 88 47 47 GLU N N 118.007 0.3 1 89 48 48 LEU H H 7.853 0.020 1 90 48 48 LEU N N 120.152 0.3 1 91 49 49 GLN H H 8.028 0.020 1 92 49 49 GLN N N 117.871 0.3 1 93 50 50 ASP H H 8.011 0.020 1 94 50 50 ASP N N 119.212 0.3 1 95 51 51 MET H H 7.616 0.020 1 96 51 51 MET N N 119.106 0.3 1 97 52 52 ILE H H 7.511 0.020 1 98 52 52 ILE N N 117.539 0.3 1 99 53 53 ASN H H 8.415 0.020 1 100 53 53 ASN N N 117.128 0.3 1 101 54 54 GLU H H 7.465 0.020 1 102 54 54 GLU N N 116.411 0.3 1 103 55 55 VAL H H 7.039 0.020 1 104 55 55 VAL N N 108.519 0.3 1 105 56 56 ASP H H 7.557 0.020 1 106 56 56 ASP N N 121.284 0.3 1 107 57 57 ALA H H 8.359 0.020 1 108 57 57 ALA N N 131.832 0.3 1 109 58 58 ASP H H 7.988 0.020 1 110 58 58 ASP N N 113.582 0.3 1 111 59 59 GLY H H 7.424 0.020 1 112 59 59 GLY N N 108.085 0.3 1 113 60 60 ASN H H 7.918 0.020 1 114 60 60 ASN N N 117.926 0.3 1 115 61 61 GLY H H 10.485 0.020 1 116 61 61 GLY N N 113.230 0.3 1 117 62 62 THR H H 7.507 0.020 1 118 62 62 THR N N 108.615 0.3 1 119 63 63 ILE H H 8.730 0.020 1 120 63 63 ILE N N 122.672 0.3 1 121 64 64 ASP H H 8.706 0.020 1 122 64 64 ASP N N 127.837 0.3 1 123 65 65 PHE H H 8.845 0.020 1 124 65 65 PHE N N 118.569 0.3 1 125 67 67 GLU H H 7.952 0.020 1 126 67 67 GLU N N 117.588 0.3 1 127 68 68 PHE H H 8.765 0.020 1 128 68 68 PHE N N 123.283 0.3 1 129 69 69 LEU H H 8.405 0.020 1 130 69 69 LEU N N 118.741 0.3 1 131 70 70 THR H H 7.542 0.020 1 132 70 70 THR N N 116.411 0.3 1 133 71 71 MET H H 7.720 0.020 1 134 71 71 MET N N 121.576 0.3 1 135 72 72 MET H H 7.977 0.020 1 136 72 72 MET N N 116.517 0.3 1 137 73 73 ALA H H 8.061 0.020 1 138 73 73 ALA N N 121.465 0.3 1 139 74 74 ARG H H 7.354 0.020 1 140 74 74 ARG N N 115.794 0.3 1 141 75 75 LYS H H 7.636 0.020 1 142 75 75 LYS N N 117.245 0.3 1 143 76 76 MET H H 7.792 0.020 1 144 76 76 MET N N 117.911 0.3 1 145 77 77 LYS H H 7.627 0.020 1 146 77 77 LYS N N 119.836 0.3 1 147 78 78 ASP H H 8.009 0.020 1 148 78 78 ASP N N 119.273 0.3 1 149 79 79 THR H H 7.597 0.020 1 150 79 79 THR N N 112.709 0.3 1 151 80 80 ASP H H 8.341 0.020 1 152 80 80 ASP N N 122.718 0.3 1 153 81 81 SER H H 8.233 0.020 1 154 81 81 SER N N 117.456 0.3 1 155 82 82 GLU H H 8.375 0.020 1 156 82 82 GLU N N 121.788 0.3 1 157 83 83 GLU H H 8.044 0.020 1 158 83 83 GLU N N 119.225 0.3 1 159 84 84 GLU H H 8.159 0.020 1 160 84 84 GLU N N 118.203 0.3 1 161 85 85 ILE H H 7.937 0.020 1 162 85 85 ILE N N 120.792 0.3 1 163 86 86 ARG H H 8.231 0.020 1 164 86 86 ARG N N 121.538 0.3 1 165 87 87 GLU H H 8.161 0.020 1 166 87 87 GLU N N 118.379 0.3 1 167 88 88 ALA H H 7.882 0.020 1 168 88 88 ALA N N 120.239 0.3 1 169 89 89 PHE H H 8.449 0.020 1 170 89 89 PHE N N 118.117 0.3 1 171 90 90 ARG H H 7.775 0.020 1 172 90 90 ARG N N 116.079 0.3 1 173 91 91 VAL H H 7.230 0.020 1 174 91 91 VAL N N 118.183 0.3 1 175 92 92 PHE H H 6.688 0.020 1 176 92 92 PHE N N 113.127 0.3 1 177 93 93 ASP H H 7.819 0.020 1 178 93 93 ASP N N 116.503 0.3 1 179 94 94 LYS H H 7.602 0.020 1 180 94 94 LYS N N 125.373 0.3 1 181 95 95 ASP H H 8.070 0.020 1 182 95 95 ASP N N 114.036 0.3 1 183 96 96 GLY H H 7.613 0.020 1 184 96 96 GLY N N 108.687 0.3 1 185 97 97 ASN H H 8.172 0.020 1 186 97 97 ASN N N 119.358 0.3 1 187 98 98 GLY H H 10.540 0.020 1 188 98 98 GLY N N 113.216 0.3 1 189 100 100 ILE H H 9.928 0.020 1 190 100 100 ILE N N 127.731 0.3 1 191 101 101 SER H H 8.782 0.020 1 192 101 101 SER N N 123.256 0.3 1 193 102 102 ALA H H 9.162 0.020 1 194 102 102 ALA N N 122.818 0.3 1 195 103 103 ALA H H 8.117 0.020 1 196 103 103 ALA N N 118.189 0.3 1 197 104 104 GLU H H 7.787 0.020 1 198 104 104 GLU N N 120.128 0.3 1 199 105 105 LEU H H 8.231 0.020 1 200 105 105 LEU N N 121.366 0.3 1 201 106 106 ARG H H 8.787 0.020 1 202 106 106 ARG N N 118.502 0.3 1 203 107 107 HIS H H 7.957 0.020 1 204 107 107 HIS N N 118.774 0.3 1 205 108 108 VAL H H 7.685 0.020 1 206 108 108 VAL N N 119.066 0.3 1 207 109 109 MET H H 8.110 0.020 1 208 109 109 MET N N 115.413 0.3 1 209 110 110 THR H H 8.529 0.020 1 210 110 110 THR N N 116.879 0.3 1 211 111 111 ASP H H 7.870 0.020 1 212 111 111 ASP N N 123.846 0.3 1 213 112 112 LEU H H 7.667 0.020 1 214 112 112 LEU N N 118.323 0.3 1 215 113 113 GLY H H 7.699 0.020 1 216 113 113 GLY N N 106.760 0.3 1 217 114 114 GLU H H 7.864 0.020 1 218 114 114 GLU N N 119.971 0.3 1 219 115 115 LYS H H 8.490 0.020 1 220 115 115 LYS N N 124.969 0.3 1 221 116 116 LEU H H 7.985 0.020 1 222 116 116 LEU N N 124.895 0.3 1 223 117 117 THR H H 9.119 0.020 1 224 117 117 THR N N 114.373 0.3 1 225 118 118 ASP H H 8.763 0.020 1 226 118 118 ASP N N 120.773 0.3 1 227 119 119 GLU H H 8.514 0.020 1 228 119 119 GLU N N 119.166 0.3 1 229 120 120 GLU H H 7.568 0.020 1 230 120 120 GLU N N 119.969 0.3 1 231 121 121 VAL H H 7.858 0.020 1 232 121 121 VAL N N 122.014 0.3 1 233 122 122 ASP H H 7.879 0.020 1 234 122 122 ASP N N 120.064 0.3 1 235 123 123 GLU H H 7.809 0.020 1 236 123 123 GLU N N 119.053 0.3 1 237 124 124 MET H H 7.427 0.020 1 238 124 124 MET N N 118.974 0.3 1 239 125 125 ILE H H 7.707 0.020 1 240 125 125 ILE N N 118.137 0.3 1 241 126 126 ARG H H 7.962 0.020 1 242 126 126 ARG N N 117.749 0.3 1 243 127 127 GLU H H 7.593 0.020 1 244 127 127 GLU N N 117.582 0.3 1 245 128 128 ALA H H 7.167 0.020 1 246 128 128 ALA N N 116.600 0.3 1 247 130 130 ILE H H 8.162 0.020 1 248 130 130 ILE N N 128.314 0.3 1 249 131 131 ASP H H 8.300 0.020 1 250 131 131 ASP N N 118.314 0.3 1 251 132 132 GLY H H 7.555 0.020 1 252 132 132 GLY N N 108.507 0.3 1 253 133 133 ASP H H 8.072 0.020 1 254 133 133 ASP N N 120.492 0.3 1 255 134 134 GLY H H 9.977 0.020 1 256 134 134 GLY N N 112.410 0.3 1 257 135 135 GLN H H 7.715 0.020 1 258 135 135 GLN N N 115.893 0.3 1 259 136 136 VAL H H 8.887 0.020 1 260 136 136 VAL N N 124.770 0.3 1 261 137 137 ASN H H 9.267 0.020 1 262 137 137 ASN N N 128.023 0.3 1 263 138 138 TYR H H 8.120 0.020 1 264 138 138 TYR N N 118.376 0.3 1 265 139 139 GLU H H 8.002 0.020 1 266 139 139 GLU N N 118.503 0.3 1 267 141 141 PHE H H 8.654 0.020 1 268 141 141 PHE N N 124.119 0.3 1 269 142 142 VAL H H 8.677 0.020 1 270 142 142 VAL N N 119.140 0.3 1 271 143 143 GLN H H 7.793 0.020 1 272 143 143 GLN N N 120.240 0.3 1 273 144 144 MET H H 7.391 0.020 1 274 144 144 MET N N 118.549 0.3 1 275 145 145 MET H H 7.544 0.020 1 276 145 145 MET N N 114.271 0.3 1 277 146 146 THR H H 7.591 0.020 1 278 146 146 THR N N 109.129 0.3 1 279 147 147 ALA H H 7.371 0.020 1 280 147 147 ALA N N 126.868 0.3 1 281 148 148 LYS H H 7.855 0.020 1 282 148 148 LYS N N 126.436 0.3 1 stop_ save_