data_26054 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of omega-agatoxin IVA in DPC micelles ; _BMRB_accession_number 26054 _BMRB_flat_file_name bmr26054.str _Entry_type original _Submission_date 2016-05-12 _Accession_date 2016-05-12 _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 Ryu 'Jae Ha' . . 2 Kim 'Jae Il' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 262 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-25 original BMRB . stop_ _Original_release_date 2016-05-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-activity relationships of omega-Agatoxin IVA in lipid membranes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27838299 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryu 'Jae Ha' H. . 2 Jung 'Hoi Jong' J. . 3 Konishi Shiro . . 4 Kim 'Ha Hyung' H. . 5 Park Zee-Yong Y. . 6 Kim 'Jae Il' I. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 482 _Journal_issue 1 _Journal_ISSN 1090-2104 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 170 _Page_last 175 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'omega-agatoxin IVA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5277.445 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 49 _Mol_residue_sequence ; GKKKCIAKDYGRCKWGGTPC CRGRGCICSIMGTNCECKPR LIMEGLGLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 LYS 3 3 LYS 4 4 LYS 5 5 CYS 6 6 ILE 7 7 ALA 8 8 LYS 9 9 ASP 10 10 TYR 11 11 GLY 12 12 ARG 13 13 CYS 14 14 LYS 15 15 TRP 16 16 GLY 17 17 GLY 18 18 THR 19 19 PRO 20 20 CYS 21 21 CYS 22 22 ARG 23 23 GLY 24 24 ARG 25 25 GLY 26 26 CYS 27 27 ILE 28 28 CYS 29 29 SER 30 30 ILE 31 31 MET 32 32 GLY 33 33 THR 34 34 ASN 35 35 CYS 36 36 GLU 37 37 CYS 38 38 LYS 39 39 PRO 40 40 ARG 41 41 LEU 42 42 ILE 43 43 MET 44 44 GLU 45 45 GLY 46 46 LEU 47 47 GLY 48 48 LEU 49 49 ALA 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 $entity spiders 6908 Eukaryota Metazoa Agelenopsis aperta 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 'recombinant technology' . Escherichia coli . pET31b 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 . mM . DPC 50 mM '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler 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 Avance _Field_strength 600 _Details . 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_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _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 pH 4.0 . pH pressure 1 . atm temperature 310 . 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 protons ppm 0.00 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 DQF-COSY' '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 _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 LYS H H 8.4011 . 1 2 2 2 LYS HA H 3.9711 . 1 3 2 2 LYS N N 123.0443 . 1 4 3 3 LYS H H 8.2686 . 1 5 3 3 LYS HA H 4.3323 . 1 6 3 3 LYS HD3 H 1.8139 . 2 7 3 3 LYS HE2 H 2.6096 . 2 8 3 3 LYS N N 118.8741 . 1 9 4 4 LYS H H 8.3952 . 1 10 4 4 LYS HA H 4.3494 . 1 11 4 4 LYS HB3 H 1.8231 . 2 12 4 4 LYS HG2 H 1.4097 . 2 13 4 4 LYS HG3 H 1.4906 . 2 14 4 4 LYS HD2 H 1.7595 . 2 15 4 4 LYS HE2 H 3.0175 . 2 16 4 4 LYS N N 124.0429 . 1 17 5 5 CYS H H 7.9209 . 1 18 5 5 CYS HA H 5.0471 . 1 19 5 5 CYS HB2 H 2.8741 . 2 20 5 5 CYS HB3 H 3.0129 . 2 21 5 5 CYS N N 115.2514 . 1 22 6 6 ILE H H 9.2111 . 1 23 6 6 ILE HA H 4.7626 . 1 24 6 6 ILE HB H 2.0917 . 1 25 6 6 ILE HG12 H 1.3044 . 2 26 6 6 ILE HG13 H 1.3017 . 2 27 6 6 ILE HG2 H 1.1323 . 1 28 6 6 ILE HD1 H 0.9023 . 1 29 6 6 ILE N N 120.7058 . 1 30 7 7 ALA H H 8.7981 . 1 31 7 7 ALA HA H 3.9767 . 1 32 7 7 ALA HB H 1.4784 . 1 33 7 7 ALA N N 136.8541 . 1 34 8 8 LYS H H 7.2997 . 1 35 8 8 LYS HA H 4.1023 . 1 36 8 8 LYS HB2 H 1.6931 . 2 37 8 8 LYS HB3 H 1.8289 . 2 38 8 8 LYS HG2 H 1.4763 . 2 39 8 8 LYS HG3 H 1.4776 . 2 40 8 8 LYS HD2 H 1.5855 . 2 41 8 8 LYS HD3 H 1.5854 . 2 42 8 8 LYS HE2 H 3.2110 . 2 43 8 8 LYS HE3 H 3.2136 . 2 44 8 8 LYS N N 118.6630 . 1 45 9 9 ASP H H 9.1972 . 1 46 9 9 ASP HA H 3.9736 . 1 47 9 9 ASP HB2 H 2.7937 . 2 48 9 9 ASP HB3 H 2.3842 . 2 49 9 9 ASP N N 133.0719 . 1 50 10 10 TYR H H 8.5571 . 1 51 10 10 TYR HA H 4.0361 . 1 52 10 10 TYR HB2 H 3.2577 . 2 53 10 10 TYR HB3 H 2.7579 . 2 54 10 10 TYR HD1 H 7.0593 . 3 55 10 10 TYR HD2 H 7.1162 . 3 56 10 10 TYR HE1 H 6.9264 . 3 57 10 10 TYR HE2 H 6.8222 . 3 58 10 10 TYR N N 120.9087 . 1 59 11 11 GLY H H 7.9578 . 1 60 11 11 GLY HA2 H 3.8833 . 2 61 11 11 GLY HA3 H 3.2075 . 2 62 11 11 GLY N N 104.8321 . 1 63 12 12 ARG H H 8.2659 . 1 64 12 12 ARG HA H 4.5553 . 1 65 12 12 ARG HB2 H 1.8075 . 2 66 12 12 ARG HB3 H 1.8770 . 2 67 12 12 ARG HG2 H 1.4697 . 2 68 12 12 ARG HG3 H 1.4697 . 2 69 12 12 ARG HD2 H 3.2080 . 2 70 12 12 ARG HD3 H 3.2080 . 2 71 12 12 ARG N N 122.9258 . 1 72 13 13 CYS H H 7.6922 . 1 73 13 13 CYS HA H 5.0187 . 1 74 13 13 CYS HB2 H 3.3680 . 2 75 13 13 CYS HB3 H 3.2917 . 2 76 13 13 CYS N N 119.5070 . 1 77 14 14 LYS H H 9.0927 . 1 78 14 14 LYS HA H 4.5767 . 1 79 14 14 LYS HB2 H 1.6641 . 2 80 14 14 LYS HB3 H 1.7454 . 2 81 14 14 LYS HG2 H 1.3325 . 2 82 14 14 LYS HG3 H 1.4010 . 2 83 14 14 LYS HD2 H 1.6623 . 2 84 14 14 LYS HD3 H 1.5619 . 2 85 14 14 LYS HE2 H 2.9994 . 2 86 14 14 LYS HE3 H 2.9994 . 2 87 14 14 LYS N N 119.6660 . 1 88 15 15 TRP H H 9.0884 . 1 89 15 15 TRP HA H 4.4736 . 1 90 15 15 TRP HB2 H 3.2610 . 2 91 15 15 TRP HB3 H 3.2622 . 2 92 15 15 TRP HD1 H 7.1559 . 1 93 15 15 TRP HE1 H 10.0374 . 1 94 15 15 TRP HE3 H 7.6274 . 1 95 15 15 TRP HZ2 H 7.2376 . 1 96 15 15 TRP HZ3 H 6.8222 . 1 97 15 15 TRP HH2 H 7.1162 . 1 98 15 15 TRP N N 129.4545 . 1 99 15 15 TRP NE1 N 129.3883 . 1 100 16 16 GLY H H 8.7454 . 1 101 16 16 GLY HA2 H 3.5859 . 2 102 16 16 GLY HA3 H 4.0495 . 2 103 16 16 GLY N N 115.3692 . 1 104 17 17 GLY H H 7.8093 . 1 105 17 17 GLY HA2 H 4.4856 . 2 106 17 17 GLY HA3 H 3.6390 . 2 107 17 17 GLY N N 108.0884 . 1 108 18 18 THR H H 8.1869 . 1 109 18 18 THR HA H 4.3297 . 1 110 18 18 THR HB H 3.8452 . 1 111 18 18 THR HG2 H 1.8333 . 1 112 18 18 THR N N 121.0943 . 1 113 19 19 PRO HA H 4.5120 . 1 114 19 19 PRO HB2 H 2.3714 . 2 115 19 19 PRO HB3 H 1.9876 . 2 116 19 19 PRO HG2 H 2.0691 . 2 117 19 19 PRO HG3 H 2.0691 . 2 118 19 19 PRO HD2 H 3.8822 . 2 119 19 19 PRO HD3 H 3.8822 . 2 120 20 20 CYS H H 8.9101 . 1 121 20 20 CYS HA H 4.7599 . 1 122 20 20 CYS HB2 H 2.8123 . 2 123 20 20 CYS HB3 H 3.0389 . 2 124 20 20 CYS N N 119.2434 . 1 125 21 21 CYS H H 8.5595 . 1 126 21 21 CYS HA H 4.6485 . 1 127 21 21 CYS HB2 H 3.4918 . 2 128 21 21 CYS HB3 H 2.6232 . 2 129 21 21 CYS N N 119.8154 . 1 130 22 22 ARG H H 7.9219 . 1 131 22 22 ARG HA H 4.3438 . 1 132 22 22 ARG HB2 H 1.3853 . 2 133 22 22 ARG HB3 H 1.8224 . 2 134 22 22 ARG HG2 H 1.3026 . 2 135 22 22 ARG HD2 H 3.0175 . 2 136 22 22 ARG N N 117.3750 . 1 137 23 23 GLY H H 8.5663 . 1 138 23 23 GLY HA2 H 3.7303 . 2 139 23 23 GLY HA3 H 3.9839 . 2 140 23 23 GLY N N 107.0516 . 1 141 24 24 ARG H H 7.3864 . 1 142 24 24 ARG HA H 3.9172 . 1 143 24 24 ARG HB2 H 2.3327 . 2 144 24 24 ARG HB3 H 1.7883 . 2 145 24 24 ARG HG2 H 1.4837 . 2 146 24 24 ARG HG3 H 1.4837 . 2 147 24 24 ARG HD2 H 2.8200 . 2 148 24 24 ARG HD3 H 3.0129 . 2 149 24 24 ARG N N 118.9038 . 1 150 25 25 GLY H H 9.2323 . 1 151 25 25 GLY HA2 H 4.1750 . 2 152 25 25 GLY HA3 H 3.4925 . 2 153 25 25 GLY N N 110.4675 . 1 154 26 26 CYS H H 8.4616 . 1 155 26 26 CYS HA H 4.8786 . 1 156 26 26 CYS HB2 H 3.1305 . 2 157 26 26 CYS HB3 H 2.9900 . 2 158 26 26 CYS N N 122.3530 . 1 159 27 27 ILE H H 8.8656 . 1 160 27 27 ILE HA H 4.5600 . 1 161 27 27 ILE HB H 2.1097 . 1 162 27 27 ILE HG12 H 1.6455 . 2 163 27 27 ILE HG13 H 0.8655 . 2 164 27 27 ILE HG2 H 1.0613 . 1 165 27 27 ILE HD1 H 0.8655 . 1 166 27 27 ILE N N 130.2209 . 1 167 28 28 CYS H H 8.9905 . 1 168 28 28 CYS HA H 4.9897 . 1 169 28 28 CYS HB2 H 2.9595 . 2 170 28 28 CYS HB3 H 2.9595 . 2 171 28 28 CYS N N 127.5748 . 1 172 29 29 SER H H 8.8177 . 1 173 29 29 SER HA H 4.6041 . 1 174 29 29 SER HB2 H 4.2930 . 2 175 29 29 SER HB3 H 4.0465 . 2 176 29 29 SER N N 116.9574 . 1 177 30 30 ILE H H 8.6494 . 1 178 30 30 ILE HA H 4.1291 . 1 179 30 30 ILE HB H 1.9865 . 1 180 30 30 ILE HG12 H 1.5421 . 2 181 30 30 ILE HG13 H 1.5421 . 2 182 30 30 ILE HG2 H 1.0187 . 1 183 30 30 ILE HD1 H 0.9517 . 1 184 30 30 ILE N N 120.0765 . 1 185 31 31 MET H H 8.0743 . 1 186 31 31 MET HA H 4.4876 . 1 187 31 31 MET HB2 H 2.2753 . 2 188 31 31 MET HB3 H 1.9801 . 2 189 31 31 MET HG2 H 2.6429 . 2 190 31 31 MET HG3 H 2.5386 . 2 191 31 31 MET N N 121.6233 . 1 192 32 32 GLY H H 8.2328 . 1 193 32 32 GLY HA2 H 3.5276 . 2 194 32 32 GLY HA3 H 4.1249 . 2 195 32 32 GLY N N 107.2018 . 1 196 33 33 THR H H 7.5143 . 1 197 33 33 THR HA H 4.6183 . 1 198 33 33 THR HB H 4.3108 . 1 199 33 33 THR HG2 H 1.1096 . 1 200 33 33 THR N N 109.6658 . 1 201 34 34 ASN H H 8.7500 . 1 202 34 34 ASN HA H 4.4714 . 1 203 34 34 ASN HB2 H 3.0389 . 2 204 34 34 ASN HB3 H 2.7583 . 2 205 34 34 ASN HD21 H 7.4603 . 2 206 34 34 ASN HD22 H 6.8681 . 2 207 34 34 ASN N N 118.4994 . 1 208 34 34 ASN ND2 N 112.2434 . 1 209 35 35 CYS H H 8.3741 . 1 210 35 35 CYS HA H 5.0854 . 1 211 35 35 CYS HB2 H 2.7946 . 2 212 35 35 CYS HB3 H 3.6232 . 2 213 35 35 CYS N N 119.7126 . 1 214 36 36 GLU H H 8.7123 . 1 215 36 36 GLU HA H 5.0882 . 1 216 36 36 GLU HB2 H 1.8030 . 2 217 36 36 GLU HB3 H 1.8030 . 2 218 36 36 GLU HG2 H 2.3044 . 2 219 36 36 GLU HG3 H 2.3044 . 2 220 36 36 GLU N N 122.0628 . 1 221 37 37 CYS H H 8.9394 . 1 222 37 37 CYS HA H 5.2184 . 1 223 37 37 CYS HB2 H 2.7036 . 2 224 37 37 CYS HB3 H 2.7062 . 2 225 37 37 CYS N N 120.7879 . 1 226 38 38 LYS H H 8.0890 . 1 227 38 38 LYS HA H 5.2174 . 1 228 38 38 LYS HB2 H 1.8586 . 2 229 38 38 LYS HB3 H 1.9460 . 2 230 38 38 LYS HG2 H 1.6404 . 2 231 38 38 LYS HG3 H 1.6404 . 2 232 38 38 LYS HD2 H 1.8158 . 2 233 38 38 LYS HD3 H 1.7578 . 2 234 38 38 LYS HE2 H 3.1222 . 2 235 38 38 LYS HE3 H 2.9839 . 2 236 38 38 LYS N N 127.8244 . 1 237 39 39 PRO HA H 4.5861 . 1 238 39 39 PRO HB2 H 2.0070 . 2 239 39 39 PRO HB3 H 2.0070 . 2 240 39 39 PRO HG2 H 2.1120 . 2 241 39 39 PRO HG3 H 2.1120 . 2 242 39 39 PRO HD2 H 3.3783 . 2 243 39 39 PRO HD3 H 3.3783 . 2 244 40 40 ARG H H 8.0520 . 1 245 40 40 ARG HA H 3.9022 . 1 246 40 40 ARG HB2 H 2.1079 . 2 247 40 40 ARG HB3 H 1.7924 . 2 248 40 40 ARG HG2 H 1.5132 . 2 249 40 40 ARG HG3 H 1.6855 . 2 250 40 40 ARG HD2 H 3.2148 . 2 251 40 40 ARG HD3 H 3.2148 . 2 252 40 40 ARG N N 124.4475 . 1 253 41 41 LEU H H 8.7052 . 1 254 41 41 LEU HA H 3.8262 . 1 255 41 41 LEU HB2 H 1.6819 . 2 256 41 41 LEU HB3 H 1.6819 . 2 257 41 41 LEU HG H 1.6819 . 1 258 41 41 LEU HD1 H 0.8648 . 2 259 41 41 LEU HD2 H 0.9244 . 2 260 41 41 LEU N N 118.9665 . 1 261 42 42 ILE H H 8.2238 . 1 262 42 42 ILE HA H 4.3380 . 1 263 42 42 ILE HB H 2.0242 . 1 264 42 42 ILE HG12 H 1.3369 . 2 265 42 42 ILE HG13 H 1.3369 . 2 266 42 42 ILE HG2 H 0.9211 . 1 267 42 42 ILE HD1 H 0.8670 . 1 268 42 42 ILE N N 133.8260 . 1 269 43 43 MET H H 8.2227 . 1 270 43 43 MET HA H 4.0554 . 1 271 43 43 MET HB2 H 2.1081 . 2 272 43 43 MET HB3 H 2.0242 . 2 273 43 43 MET HG2 H 2.6189 . 2 274 43 43 MET HG3 H 2.5199 . 2 275 43 43 MET N N 117.9553 . 1 276 44 44 GLU H H 8.6006 . 1 277 44 44 GLU HA H 4.3226 . 1 278 44 44 GLU HB2 H 2.2290 . 2 279 44 44 GLU HB3 H 1.8421 . 2 280 44 44 GLU HG2 H 2.6095 . 2 281 44 44 GLU HG3 H 2.2290 . 2 282 44 44 GLU N N 116.3950 . 1 283 45 45 GLY H H 8.1893 . 1 284 45 45 GLY HA2 H 3.7778 . 2 285 45 45 GLY HA3 H 3.9707 . 2 286 45 45 GLY N N 110.3360 . 1 287 46 46 LEU H H 7.7311 . 1 288 46 46 LEU HA H 4.3615 . 1 289 46 46 LEU HB2 H 1.8139 . 2 290 46 46 LEU HB3 H 1.9476 . 2 291 46 46 LEU HG H 1.6838 . 1 292 46 46 LEU HD1 H 0.8869 . 2 293 46 46 LEU HD2 H 0.9050 . 2 294 46 46 LEU N N 116.7448 . 1 295 47 47 GLY H H 7.6964 . 1 296 47 47 GLY HA2 H 4.1267 . 2 297 47 47 GLY HA3 H 3.9501 . 2 298 47 47 GLY N N 104.0132 . 1 299 48 48 LEU H H 8.1232 . 1 300 48 48 LEU HA H 4.2484 . 1 301 48 48 LEU HB2 H 1.8105 . 2 302 48 48 LEU HB3 H 1.8354 . 2 303 48 48 LEU HG H 1.6369 . 1 304 48 48 LEU HD1 H 0.8765 . 2 305 48 48 LEU HD2 H 0.8789 . 2 306 48 48 LEU N N 118.1428 . 1 307 49 49 ALA H H 7.5137 . 1 308 49 49 ALA HA H 4.0470 . 1 309 49 49 ALA HB H 1.3347 . 1 310 49 49 ALA N N 125.0328 . 1 stop_ save_