data_25380 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of HP0268 from Helicobacter pylori ; _BMRB_accession_number 25380 _BMRB_flat_file_name bmr25380.str _Entry_type original _Submission_date 2014-12-05 _Accession_date 2014-12-05 _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 Lee Ki-Young . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 403 "13C chemical shifts" 328 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-07 original BMRB . stop_ _Original_release_date 2015-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-based functional identification of Helicobacter pylori HP0268 as a nuclease with both DNA nicking and RNase activities ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25916841 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Ki-Young . . 2 Lee Kyu-Yeon . . 3 Kim Ji-Hun . . 4 Lee In-Gyun . . 5 Lee Sung-Hee . . 6 Sim Dae-Won . . 7 Won Hyung-Sik . . 8 Lee Bong-Jin . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 43 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5194 _Page_last 5207 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HP0268 from Helicobacter pylori' _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 HP0268 _Molecular_mass 9700.074 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; SHMKLVLAKNTRKSDAKSVE LEDLYHEFSEDKRSIFYFAP TNAHKDMLKAVDFFKEKGHT AYLDEVRVSTDEKDFLYELH II ; loop_ _Residue_seq_code _Residue_label 1 SER 2 HIS 3 MET 4 LYS 5 LEU 6 VAL 7 LEU 8 ALA 9 LYS 10 ASN 11 THR 12 ARG 13 LYS 14 SER 15 ASP 16 ALA 17 LYS 18 SER 19 VAL 20 GLU 21 LEU 22 GLU 23 ASP 24 LEU 25 TYR 26 HIS 27 GLU 28 PHE 29 SER 30 GLU 31 ASP 32 LYS 33 ARG 34 SER 35 ILE 36 PHE 37 TYR 38 PHE 39 ALA 40 PRO 41 THR 42 ASN 43 ALA 44 HIS 45 LYS 46 ASP 47 MET 48 LEU 49 LYS 50 ALA 51 VAL 52 ASP 53 PHE 54 PHE 55 LYS 56 GLU 57 LYS 58 GLY 59 HIS 60 THR 61 ALA 62 TYR 63 LEU 64 ASP 65 GLU 66 VAL 67 ARG 68 VAL 69 SER 70 THR 71 ASP 72 GLU 73 LYS 74 ASP 75 PHE 76 LEU 77 TYR 78 GLU 79 LEU 80 HIS 81 ILE 82 ILE 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 e-proteobacteria 210 Bacteria . Helicobacter pylori 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' . Helicobacter pylori . 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 $entity 0.8-1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 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 'structure solution' 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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 50 . mM 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 C 13 'methyl protons' ppm 0 external indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.10132905 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 '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HN(CA)CO' 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 1 1 SER HA H 4.2070 . 1 2 1 1 SER HB2 H 1.8560 . 1 3 1 1 SER HB3 H 1.8560 . 1 4 1 1 SER C C 174.4470 . 1 5 1 1 SER CA C 58.5410 . 1 6 1 1 SER CB C 63.8800 . 1 7 1 1 SER N N 122.3770 . 1 8 2 2 HIS H H 8.6780 . 1 9 2 2 HIS HA H 4.7350 . 1 10 2 2 HIS HB2 H 3.0040 . 1 11 2 2 HIS HB3 H 3.0040 . 1 12 2 2 HIS C C 173.8840 . 1 13 2 2 HIS CA C 55.0520 . 1 14 2 2 HIS CB C 28.6660 . 1 15 2 2 HIS CG C 130.1800 . 1 16 2 2 HIS N N 120.4300 . 1 17 3 3 MET H H 8.2400 . 1 18 3 3 MET HA H 4.2070 . 1 19 3 3 MET HB2 H 1.8560 . 1 20 3 3 MET HB3 H 1.8560 . 1 21 3 3 MET C C 174.5840 . 1 22 3 3 MET CA C 56.5500 . 1 23 3 3 MET CB C 33.4260 . 1 24 3 3 MET N N 122.3770 . 1 25 4 4 LYS H H 8.3510 . 1 26 4 4 LYS HA H 4.8390 . 1 27 4 4 LYS HB2 H 1.6330 . 1 28 4 4 LYS HB3 H 1.6330 . 1 29 4 4 LYS HG2 H 1.4600 . 2 30 4 4 LYS HG3 H 1.4690 . 2 31 4 4 LYS HD2 H 1.5430 . 2 32 4 4 LYS HD3 H 1.6000 . 2 33 4 4 LYS C C 175.9060 . 1 34 4 4 LYS CA C 54.8000 . 1 35 4 4 LYS CB C 34.9000 . 1 36 4 4 LYS CG C 25.1200 . 1 37 4 4 LYS CD C 28.4900 . 1 38 4 4 LYS N N 123.5680 . 1 39 5 5 LEU H H 8.2810 . 1 40 5 5 LEU HA H 4.8390 . 1 41 5 5 LEU HB2 H 1.6330 . 1 42 5 5 LEU HB3 H 1.6330 . 1 43 5 5 LEU HG H 1.4900 . 1 44 5 5 LEU HD1 H 0.8760 . 2 45 5 5 LEU HD2 H 0.5280 . 2 46 5 5 LEU C C 175.9000 . 1 47 5 5 LEU CA C 53.3500 . 1 48 5 5 LEU CB C 45.9000 . 1 49 5 5 LEU CG C 26.8300 . 1 50 5 5 LEU CD1 C 25.4300 . 2 51 5 5 LEU CD2 C 25.1700 . 2 52 5 5 LEU N N 123.5680 . 1 53 6 6 VAL H H 9.2760 . 1 54 6 6 VAL HA H 4.4260 . 1 55 6 6 VAL HB H 1.9140 . 1 56 6 6 VAL HG1 H 0.4690 . 2 57 6 6 VAL HG2 H 0.6990 . 2 58 6 6 VAL C C 178.2000 . 1 59 6 6 VAL CA C 63.2000 . 1 60 6 6 VAL CB C 33.2000 . 1 61 6 6 VAL CG1 C 21.8500 . 2 62 6 6 VAL CG2 C 21.5900 . 2 63 6 6 VAL N N 121.5640 . 1 64 7 7 LEU H H 9.2760 . 1 65 7 7 LEU HA H 4.4260 . 1 66 7 7 LEU HB2 H 1.5150 . 2 67 7 7 LEU HB3 H 1.5230 . 2 68 7 7 LEU HG H 1.5210 . 1 69 7 7 LEU HD1 H 0.7720 . 2 70 7 7 LEU CA C 63.2000 . 1 71 7 7 LEU CB C 33.2000 . 1 72 7 7 LEU CG C 27.0500 . 1 73 7 7 LEU CD1 C 25.4500 . 2 74 7 7 LEU N N 121.5640 . 1 75 8 8 ALA C C 177.0400 . 1 76 8 8 ALA CA C 51.7010 . 1 77 8 8 ALA CB C 20.8640 . 1 78 9 9 LYS H H 8.5450 . 1 79 9 9 LYS HA H 4.1280 . 1 80 9 9 LYS HB2 H 1.7410 . 1 81 9 9 LYS HB3 H 1.7410 . 1 82 9 9 LYS HG2 H 1.8660 . 2 83 9 9 LYS HG3 H 1.7500 . 2 84 9 9 LYS HD2 H 1.6140 . 2 85 9 9 LYS HD3 H 1.7030 . 2 86 9 9 LYS C C 176.0750 . 1 87 9 9 LYS CA C 56.7610 . 1 88 9 9 LYS CB C 32.9190 . 1 89 9 9 LYS CG C 24.6000 . 1 90 9 9 LYS CD C 28.8000 . 1 91 9 9 LYS N N 119.8450 . 1 92 10 10 ASN H H 8.5920 . 1 93 10 10 ASN HA H 4.6450 . 1 94 10 10 ASN HB2 H 2.7680 . 1 95 10 10 ASN HB3 H 2.7680 . 1 96 10 10 ASN C C 175.4430 . 1 97 10 10 ASN CA C 53.6570 . 1 98 10 10 ASN CB C 38.7770 . 1 99 10 10 ASN N N 119.2790 . 1 100 11 11 THR H H 8.0580 . 1 101 11 11 THR HA H 4.3110 . 1 102 11 11 THR HB H 3.9350 . 1 103 11 11 THR HG2 H 1.2100 . 1 104 11 11 THR C C 174.6660 . 1 105 11 11 THR CA C 62.0440 . 1 106 11 11 THR CB C 69.8950 . 1 107 11 11 THR CG2 C 21.7400 . 1 108 11 11 THR N N 111.8760 . 1 109 12 12 ARG H H 8.2910 . 1 110 12 12 ARG HA H 4.2620 . 1 111 12 12 ARG HB2 H 1.8060 . 1 112 12 12 ARG HB3 H 1.8060 . 1 113 12 12 ARG HG2 H 1.5340 . 2 114 12 12 ARG HG3 H 1.6430 . 2 115 12 12 ARG C C 176.7140 . 1 116 12 12 ARG CA C 56.8220 . 1 117 12 12 ARG CB C 30.7020 . 1 118 12 12 ARG CG C 27.1800 . 1 119 12 12 ARG N N 121.1520 . 1 120 13 13 LYS H H 8.2860 . 1 121 13 13 LYS HA H 3.8960 . 1 122 13 13 LYS HB2 H 1.1780 . 2 123 13 13 LYS HB3 H 1.9300 . 2 124 13 13 LYS HG2 H 1.4600 . 2 125 13 13 LYS HG3 H 1.4600 . 2 126 13 13 LYS HD2 H 1.7100 . 2 127 13 13 LYS HD3 H 1.7100 . 2 128 13 13 LYS C C 176.6820 . 1 129 13 13 LYS CA C 56.9780 . 1 130 13 13 LYS CB C 32.4980 . 1 131 13 13 LYS CG C 24.9400 . 1 132 13 13 LYS CD C 29.1700 . 1 133 13 13 LYS N N 120.4590 . 1 134 14 14 SER H H 7.9570 . 1 135 14 14 SER HA H 4.3710 . 1 136 14 14 SER HB2 H 3.8750 . 1 137 14 14 SER HB3 H 3.8750 . 1 138 14 14 SER C C 173.9900 . 1 139 14 14 SER CA C 58.6170 . 1 140 14 14 SER CB C 63.9330 . 1 141 14 14 SER N N 114.5680 . 1 142 15 15 ASP H H 8.1660 . 1 143 15 15 ASP HA H 4.6010 . 1 144 15 15 ASP HB2 H 2.6210 . 1 145 15 15 ASP HB3 H 2.6210 . 1 146 15 15 ASP C C 175.6840 . 1 147 15 15 ASP CA C 54.1490 . 1 148 15 15 ASP CB C 41.2290 . 1 149 15 15 ASP N N 121.5650 . 1 150 16 16 ALA H H 8.1630 . 1 151 16 16 ALA HA H 4.3710 . 1 152 16 16 ALA HB H 1.3630 . 1 153 16 16 ALA C C 177.1840 . 1 154 16 16 ALA CA C 52.3370 . 1 155 16 16 ALA CB C 19.3590 . 1 156 16 16 ALA N N 124.1730 . 1 157 17 17 LYS H H 8.3630 . 1 158 17 17 LYS HA H 4.4260 . 1 159 17 17 LYS HB2 H 1.8010 . 1 160 17 17 LYS HB3 H 1.8010 . 1 161 17 17 LYS HG2 H 1.6900 . 2 162 17 17 LYS HG3 H 1.6900 . 2 163 17 17 LYS HD2 H 1.6500 . 2 164 17 17 LYS C C 175.4880 . 1 165 17 17 LYS CA C 56.2050 . 1 166 17 17 LYS CB C 34.2960 . 1 167 17 17 LYS CG C 29.2100 . 1 168 17 17 LYS CD C 29.2130 . 1 169 17 17 LYS N N 121.1520 . 1 170 18 18 SER H H 8.2060 . 1 171 18 18 SER HA H 5.3550 . 1 172 18 18 SER HB2 H 3.6720 . 1 173 18 18 SER HB3 H 3.6720 . 1 174 18 18 SER C C 173.8870 . 1 175 18 18 SER CA C 57.2480 . 1 176 18 18 SER CB C 64.9620 . 1 177 18 18 SER N N 116.4480 . 1 178 19 19 VAL H H 9.0860 . 1 179 19 19 VAL HA H 3.6200 . 1 180 19 19 VAL HB H 2.2960 . 1 181 19 19 VAL HG2 H 0.7500 . 2 182 19 19 VAL C C 174.1690 . 1 183 19 19 VAL CA C 59.5460 . 1 184 19 19 VAL CB C 35.9020 . 1 185 19 19 VAL CG2 C 21.9900 . 2 186 19 19 VAL N N 117.8670 . 1 187 20 20 GLU H H 8.8410 . 1 188 20 20 GLU HA H 4.8680 . 1 189 20 20 GLU HB2 H 1.8050 . 1 190 20 20 GLU HB3 H 1.8050 . 1 191 20 20 GLU HG2 H 2.1180 . 2 192 20 20 GLU HG3 H 2.1180 . 2 193 20 20 GLU C C 178.7470 . 1 194 20 20 GLU CA C 54.5520 . 1 195 20 20 GLU CB C 31.0990 . 1 196 20 20 GLU CG C 35.8400 . 1 197 20 20 GLU N N 120.8430 . 1 198 21 21 LEU H H 8.7440 . 1 199 21 21 LEU HA H 3.4430 . 1 200 21 21 LEU HB2 H 1.6200 . 2 201 21 21 LEU HB3 H 1.5500 . 2 202 21 21 LEU HG H 1.3410 . 1 203 21 21 LEU HD1 H 0.5640 . 2 204 21 21 LEU HD2 H 0.5100 . 2 205 21 21 LEU C C 178.7990 . 1 206 21 21 LEU CA C 58.7070 . 1 207 21 21 LEU CB C 38.5710 . 1 208 21 21 LEU CG C 26.6820 . 1 209 21 21 LEU CD1 C 24.8500 . 2 210 21 21 LEU CD2 C 23.3200 . 2 211 21 21 LEU N N 122.6530 . 1 212 22 22 GLU H H 8.7440 . 1 213 22 22 GLU HA H 3.9890 . 1 214 22 22 GLU HB2 H 2.0530 . 2 215 22 22 GLU HB3 H 2.0110 . 2 216 22 22 GLU HG2 H 2.1600 . 2 217 22 22 GLU HG3 H 2.1600 . 2 218 22 22 GLU C C 179.3280 . 1 219 22 22 GLU CA C 60.0800 . 1 220 22 22 GLU CB C 28.8340 . 1 221 22 22 GLU CG C 36.4500 . 1 222 22 22 GLU N N 115.3920 . 1 223 23 23 ASP H H 7.0980 . 1 224 23 23 ASP HA H 4.6110 . 1 225 23 23 ASP HB2 H 3.0250 . 1 226 23 23 ASP HB3 H 3.0250 . 1 227 23 23 ASP C C 179.1390 . 1 228 23 23 ASP CA C 57.5190 . 1 229 23 23 ASP CB C 40.4420 . 1 230 23 23 ASP N N 118.5970 . 1 231 24 24 LEU H H 7.5760 . 1 232 24 24 LEU HA H 3.9340 . 1 233 24 24 LEU HB2 H 2.0200 . 1 234 24 24 LEU HB3 H 2.0200 . 1 235 24 24 LEU HD1 H 0.8550 . 2 236 24 24 LEU C C 179.0450 . 1 237 24 24 LEU CA C 57.5490 . 1 238 24 24 LEU CB C 41.5500 . 1 239 24 24 LEU CD1 C 24.6480 . 2 240 24 24 LEU N N 119.8690 . 1 241 25 25 TYR H H 8.3200 . 1 242 25 25 TYR HA H 4.3670 . 1 243 25 25 TYR HB2 H 3.2270 . 1 244 25 25 TYR HB3 H 3.2270 . 1 245 25 25 TYR HD2 H 6.9800 . 3 246 25 25 TYR HE2 H 6.6100 . 3 247 25 25 TYR C C 177.9450 . 1 248 25 25 TYR CA C 62.6060 . 1 249 25 25 TYR CB C 37.9480 . 1 250 25 25 TYR CG C 130.8900 . 1 251 25 25 TYR CD2 C 132.9600 . 2 252 25 25 TYR CE2 C 117.7700 . 2 253 25 25 TYR N N 118.1000 . 1 254 26 26 HIS H H 8.3830 . 1 255 26 26 HIS HA H 4.3710 . 1 256 26 26 HIS HB2 H 3.5510 . 1 257 26 26 HIS HB3 H 3.5510 . 1 258 26 26 HIS HD2 H 7.0420 . 1 259 26 26 HIS C C 176.5590 . 1 260 26 26 HIS CA C 59.5190 . 1 261 26 26 HIS CB C 28.1280 . 1 262 26 26 HIS CG C 132.1300 . 1 263 26 26 HIS CD2 C 120.1200 . 1 264 26 26 HIS N N 119.4400 . 1 265 27 27 GLU H H 8.2880 . 1 266 27 27 GLU HA H 4.2580 . 1 267 27 27 GLU HB2 H 2.5030 . 1 268 27 27 GLU HB3 H 2.5030 . 1 269 27 27 GLU HG2 H 2.3100 . 2 270 27 27 GLU HG3 H 2.3100 . 2 271 27 27 GLU C C 179.1630 . 1 272 27 27 GLU CA C 60.0750 . 1 273 27 27 GLU CB C 29.5350 . 1 274 27 27 GLU CG C 35.9950 . 1 275 27 27 GLU N N 119.9150 . 1 276 28 28 PHE H H 8.5680 . 1 277 28 28 PHE HA H 4.9720 . 1 278 28 28 PHE HB2 H 3.1350 . 1 279 28 28 PHE HB3 H 3.1350 . 1 280 28 28 PHE HD2 H 7.2600 . 3 281 28 28 PHE HE2 H 7.1900 . 3 282 28 28 PHE C C 177.3860 . 1 283 28 28 PHE CA C 60.4010 . 1 284 28 28 PHE CB C 39.5680 . 1 285 28 28 PHE CD2 C 131.8490 . 2 286 28 28 PHE CE2 C 131.1220 . 2 287 28 28 PHE N N 120.5000 . 1 288 29 29 SER H H 8.4790 . 1 289 29 29 SER HA H 4.2880 . 1 290 29 29 SER HB2 H 3.5500 . 1 291 29 29 SER HB3 H 3.5500 . 1 292 29 29 SER C C 175.6560 . 1 293 29 29 SER CA C 61.0580 . 1 294 29 29 SER CB C 63.5550 . 1 295 29 29 SER N N 114.3060 . 1 296 30 30 GLU H H 8.4280 . 1 297 30 30 GLU HA H 4.0920 . 1 298 30 30 GLU HB2 H 2.0800 . 2 299 30 30 GLU HB3 H 2.0680 . 2 300 30 30 GLU C C 177.3120 . 1 301 30 30 GLU CA C 57.5800 . 1 302 30 30 GLU CB C 29.5770 . 1 303 30 30 GLU N N 118.3220 . 1 304 31 31 ASP H H 7.3030 . 1 305 31 31 ASP HA H 4.8100 . 1 306 31 31 ASP HB2 H 2.9500 . 1 307 31 31 ASP HB3 H 2.9500 . 1 308 31 31 ASP C C 175.7230 . 1 309 31 31 ASP CA C 53.9740 . 1 310 31 31 ASP CB C 40.8180 . 1 311 31 31 ASP N N 115.6300 . 1 312 32 32 LYS H H 7.1480 . 1 313 32 32 LYS HA H 3.8270 . 1 314 32 32 LYS HB2 H 1.9100 . 1 315 32 32 LYS HB3 H 1.9100 . 1 316 32 32 LYS HD2 H 1.4300 . 2 317 32 32 LYS HD3 H 1.4300 . 2 318 32 32 LYS C C 175.7160 . 1 319 32 32 LYS CA C 56.1620 . 1 320 32 32 LYS CB C 28.3810 . 1 321 32 32 LYS CD C 29.2300 . 1 322 32 32 LYS N N 114.3570 . 1 323 33 33 ARG H H 7.3880 . 1 324 33 33 ARG HA H 4.2010 . 1 325 33 33 ARG HB2 H 1.4700 . 1 326 33 33 ARG HB3 H 1.4700 . 1 327 33 33 ARG HG2 H 1.5100 . 2 328 33 33 ARG HG3 H 1.5100 . 2 329 33 33 ARG C C 173.9820 . 1 330 33 33 ARG CA C 56.1940 . 1 331 33 33 ARG CB C 30.6420 . 1 332 33 33 ARG CG C 26.8090 . 1 333 33 33 ARG N N 120.9290 . 1 334 34 34 SER H H 8.1730 . 1 335 34 34 SER HA H 5.3550 . 1 336 34 34 SER HB2 H 3.6720 . 1 337 34 34 SER HB3 H 3.6720 . 1 338 34 34 SER C C 172.7540 . 1 339 34 34 SER CA C 58.2360 . 1 340 34 34 SER CB C 65.2120 . 1 341 34 34 SER N N 115.8670 . 1 342 35 35 ILE H H 6.7790 . 1 343 35 35 ILE HA H 4.8630 . 1 344 35 35 ILE HB H 1.2620 . 1 345 35 35 ILE HG13 H 1.2800 . 2 346 35 35 ILE HG2 H 0.7680 . 1 347 35 35 ILE HD1 H 0.8500 . 1 348 35 35 ILE C C 174.0690 . 1 349 35 35 ILE CA C 59.9560 . 1 350 35 35 ILE CB C 40.6550 . 1 351 35 35 ILE CG1 C 25.8700 . 1 352 35 35 ILE CG2 C 15.8200 . 1 353 35 35 ILE CD1 C 15.8700 . 1 354 35 35 ILE N N 119.6210 . 1 355 36 36 PHE H H 8.4110 . 1 356 36 36 PHE HA H 4.4530 . 1 357 36 36 PHE HB2 H 2.5150 . 1 358 36 36 PHE HB3 H 2.5150 . 1 359 36 36 PHE HD2 H 7.2140 . 3 360 36 36 PHE HE2 H 7.0100 . 3 361 36 36 PHE C C 173.2040 . 1 362 36 36 PHE CA C 56.4160 . 1 363 36 36 PHE CB C 44.8170 . 1 364 36 36 PHE CD2 C 132.1100 . 2 365 36 36 PHE CE2 C 131.0560 . 2 366 36 36 PHE N N 124.3050 . 1 367 37 37 TYR H H 8.3530 . 1 368 37 37 TYR HA H 5.5700 . 1 369 37 37 TYR HB2 H 2.7810 . 1 370 37 37 TYR HB3 H 2.7810 . 1 371 37 37 TYR HD2 H 6.8670 . 3 372 37 37 TYR C C 175.4550 . 1 373 37 37 TYR CA C 56.5180 . 1 374 37 37 TYR CB C 40.9910 . 1 375 37 37 TYR CG C 129.6500 . 1 376 37 37 TYR CD2 C 132.4400 . 2 377 37 37 TYR N N 118.7430 . 1 378 38 38 PHE H H 9.7560 . 1 379 38 38 PHE HA H 5.1600 . 1 380 38 38 PHE HB2 H 3.0050 . 1 381 38 38 PHE HB3 H 3.0050 . 1 382 38 38 PHE HD1 H 6.9600 . 3 383 38 38 PHE HE1 H 7.0100 . 3 384 38 38 PHE C C 174.6500 . 1 385 38 38 PHE CA C 56.8420 . 1 386 38 38 PHE CB C 42.6190 . 1 387 38 38 PHE CG C 140.1600 . 1 388 38 38 PHE CD1 C 131.3700 . 2 389 38 38 PHE CE1 C 131.0800 . 2 390 38 38 PHE N N 119.2360 . 1 391 39 39 ALA H H 7.7380 . 1 392 39 39 ALA HA H 4.5400 . 1 393 39 39 ALA C C 177.0420 . 1 394 39 39 ALA CA C 50.8430 . 1 395 39 39 ALA CB C 18.5780 . 1 396 39 39 ALA N N 122.5160 . 1 397 40 40 PRO C C 175.4110 . 1 398 40 40 PRO CA C 64.2880 . 1 399 40 40 PRO CB C 31.1040 . 1 400 41 41 THR H H 6.7150 . 1 401 41 41 THR HA H 4.1900 . 1 402 41 41 THR HB H 4.2360 . 1 403 41 41 THR C C 176.4000 . 1 404 41 41 THR CA C 61.9370 . 1 405 41 41 THR CB C 68.3310 . 1 406 41 41 THR N N 105.8780 . 1 407 42 42 ASN H H 7.1530 . 1 408 42 42 ASN HA H 4.5350 . 1 409 42 42 ASN HB2 H 2.6070 . 1 410 42 42 ASN HB3 H 2.6070 . 1 411 42 42 ASN C C 173.7640 . 1 412 42 42 ASN CA C 54.1760 . 1 413 42 42 ASN CB C 41.7150 . 1 414 42 42 ASN CG C 176.7400 . 1 415 42 42 ASN N N 118.8630 . 1 416 43 43 ALA H H 9.4650 . 1 417 43 43 ALA HA H 4.4250 . 1 418 43 43 ALA HB H 1.4680 . 1 419 43 43 ALA C C 179.3080 . 1 420 43 43 ALA CA C 51.9820 . 1 421 43 43 ALA CB C 18.2940 . 1 422 43 43 ALA N N 126.1740 . 1 423 44 44 HIS H H 9.4070 . 1 424 44 44 HIS HA H 3.8270 . 1 425 44 44 HIS HB2 H 3.5570 . 2 426 44 44 HIS HB3 H 3.5570 . 2 427 44 44 HIS HD2 H 6.9400 . 1 428 44 44 HIS C C 177.4070 . 1 429 44 44 HIS CA C 61.0250 . 1 430 44 44 HIS CB C 28.6300 . 1 431 44 44 HIS CD2 C 119.8000 . 1 432 44 44 HIS N N 126.2510 . 1 433 45 45 LYS H H 8.9600 . 1 434 45 45 LYS HA H 3.8830 . 1 435 45 45 LYS HB2 H 1.8510 . 2 436 45 45 LYS HB3 H 1.7700 . 2 437 45 45 LYS HG2 H 1.3530 . 2 438 45 45 LYS HG3 H 1.3530 . 2 439 45 45 LYS HD2 H 1.6800 . 2 440 45 45 LYS C C 178.2840 . 1 441 45 45 LYS CA C 59.2490 . 1 442 45 45 LYS CB C 31.8340 . 1 443 45 45 LYS CG C 25.0900 . 1 444 45 45 LYS CD C 29.0900 . 1 445 45 45 LYS N N 114.9900 . 1 446 46 46 ASP H H 6.7770 . 1 447 46 46 ASP HA H 4.4260 . 1 448 46 46 ASP HB2 H 2.6760 . 1 449 46 46 ASP HB3 H 2.6760 . 1 450 46 46 ASP C C 177.7730 . 1 451 46 46 ASP CA C 57.0160 . 1 452 46 46 ASP CB C 39.8970 . 1 453 46 46 ASP N N 120.4110 . 1 454 47 47 MET H H 7.3670 . 1 455 47 47 MET HA H 3.8790 . 1 456 47 47 MET HB2 H 1.6960 . 1 457 47 47 MET HB3 H 1.6960 . 1 458 47 47 MET HG2 H 2.4020 . 2 459 47 47 MET HG3 H 2.4020 . 2 460 47 47 MET C C 179.4990 . 1 461 47 47 MET CA C 56.0520 . 1 462 47 47 MET CB C 29.6010 . 1 463 47 47 MET N N 118.1780 . 1 464 48 48 LEU H H 7.6720 . 1 465 48 48 LEU HA H 3.8470 . 1 466 48 48 LEU HB2 H 1.6870 . 1 467 48 48 LEU HB3 H 1.6870 . 1 468 48 48 LEU HG H 1.8100 . 1 469 48 48 LEU HD1 H 0.9370 . 2 470 48 48 LEU C C 179.8430 . 1 471 48 48 LEU CA C 57.5800 . 1 472 48 48 LEU CB C 40.9530 . 1 473 48 48 LEU CG C 26.5690 . 1 474 48 48 LEU CD1 C 24.9160 . 2 475 48 48 LEU N N 117.6650 . 1 476 49 49 LYS H H 7.4200 . 1 477 49 49 LYS HA H 4.1270 . 1 478 49 49 LYS HB2 H 2.0790 . 1 479 49 49 LYS HB3 H 2.0790 . 1 480 49 49 LYS HG2 H 1.3700 . 2 481 49 49 LYS C C 179.6840 . 1 482 49 49 LYS CA C 58.7990 . 1 483 49 49 LYS CB C 31.4530 . 1 484 49 49 LYS CG C 23.700 . 1 485 49 49 LYS N N 119.3260 . 1 486 50 50 ALA H H 7.5510 . 1 487 50 50 ALA HA H 4.0430 . 1 488 50 50 ALA HB H 1.2040 . 1 489 50 50 ALA C C 178.8180 . 1 490 50 50 ALA CA C 55.1690 . 1 491 50 50 ALA CB C 17.3000 . 1 492 50 50 ALA N N 122.0220 . 1 493 51 51 VAL H H 7.2260 . 1 494 51 51 VAL HA H 3.4420 . 1 495 51 51 VAL HB H 2.3980 . 1 496 51 51 VAL HG1 H 1.0210 . 2 497 51 51 VAL HG2 H 0.9740 . 2 498 51 51 VAL C C 178.6460 . 1 499 51 51 VAL CA C 67.2060 . 1 500 51 51 VAL CB C 31.4530 . 1 501 51 51 VAL CG1 C 22.0100 . 2 502 51 51 VAL CG2 C 21.8000 . 2 503 51 51 VAL N N 118.1650 . 1 504 52 52 ASP H H 8.2320 . 1 505 52 52 ASP HA H 4.3710 . 1 506 52 52 ASP HB2 H 2.6760 . 1 507 52 52 ASP HB3 H 2.6760 . 1 508 52 52 ASP C C 177.8980 . 1 509 52 52 ASP CA C 57.5710 . 1 510 52 52 ASP CB C 40.3860 . 1 511 52 52 ASP N N 122.2980 . 1 512 53 53 PHE H H 8.2400 . 1 513 53 53 PHE HA H 4.3210 . 1 514 53 53 PHE HB2 H 1.2040 . 1 515 53 53 PHE HB3 H 1.2040 . 1 516 53 53 PHE HD2 H 6.9980 . 3 517 53 53 PHE C C 177.2240 . 1 518 53 53 PHE CA C 61.0800 . 1 519 53 53 PHE CB C 39.7000 . 1 520 53 53 PHE CD2 C 131.7900 . 2 521 53 53 PHE N N 121.5410 . 1 522 54 54 PHE H H 7.7550 . 1 523 54 54 PHE HA H 3.6550 . 1 524 54 54 PHE HB2 H 2.8210 . 1 525 54 54 PHE HB3 H 2.8210 . 1 526 54 54 PHE HD2 H 7.1460 . 3 527 54 54 PHE C C 178.2690 . 1 528 54 54 PHE CA C 64.2000 . 1 529 54 54 PHE CB C 38.5780 . 1 530 54 54 PHE CG C 138.7400 . 1 531 54 54 PHE CD2 C 131.8500 . 2 532 54 54 PHE N N 115.9250 . 1 533 55 55 LYS H H 8.2130 . 1 534 55 55 LYS HA H 4.4260 . 1 535 55 55 LYS HB2 H 2.0650 . 1 536 55 55 LYS HB3 H 2.0650 . 1 537 55 55 LYS HD2 H 1.6900 . 2 538 55 55 LYS HD3 H 1.6900 . 2 539 55 55 LYS C C 181.4840 . 1 540 55 55 LYS CA C 59.6290 . 1 541 55 55 LYS CB C 31.7390 . 1 542 55 55 LYS CD C 29.1490 . 1 543 55 55 LYS N N 120.2510 . 1 544 56 56 GLU H H 7.8500 . 1 545 56 56 GLU HA H 3.9930 . 1 546 56 56 GLU HB2 H 1.9920 . 1 547 56 56 GLU HB3 H 1.9920 . 1 548 56 56 GLU HG2 H 2.2240 . 2 549 56 56 GLU HG3 H 2.2240 . 2 550 56 56 GLU C C 178.0850 . 1 551 56 56 GLU CA C 58.7880 . 1 552 56 56 GLU CB C 28.5960 . 1 553 56 56 GLU CG C 36.2180 . 1 554 56 56 GLU N N 120.1460 . 1 555 57 57 LYS H H 7.0190 . 1 556 57 57 LYS HA H 4.1030 . 1 557 57 57 LYS HB2 H 1.6310 . 1 558 57 57 LYS HB3 H 1.6310 . 1 559 57 57 LYS HG2 H 1.4000 . 2 560 57 57 LYS HG3 H 1.4000 . 2 561 57 57 LYS HD2 H 1.6880 . 2 562 57 57 LYS HD3 H 1.6880 . 2 563 57 57 LYS C C 176.2250 . 1 564 57 57 LYS CA C 54.5720 . 1 565 57 57 LYS CB C 32.0360 . 1 566 57 57 LYS CG C 24.8670 . 1 567 57 57 LYS CD C 29.1200 . 1 568 57 57 LYS N N 115.9400 . 1 569 58 58 GLY H H 7.8830 . 1 570 58 58 GLY HA2 H 3.7000 . 1 571 58 58 GLY HA3 H 4.0800 . 1 572 58 58 GLY C C 174.3500 . 1 573 58 58 GLY CA C 45.5000 . 1 574 58 58 GLY N N 106.5930 . 1 575 59 59 HIS H H 8.2180 . 1 576 59 59 HIS HA H 4.8670 . 1 577 59 59 HIS HB2 H 2.5670 . 1 578 59 59 HIS HB3 H 2.5670 . 1 579 59 59 HIS C C 173.2710 . 1 580 59 59 HIS CA C 54.7780 . 1 581 59 59 HIS CB C 31.6850 . 1 582 59 59 HIS N N 117.9620 . 1 583 60 60 THR H H 8.7800 . 1 584 60 60 THR HA H 4.4300 . 1 585 60 60 THR HB H 3.9900 . 1 586 60 60 THR C C 171.4300 . 1 587 60 60 THR CA C 63.4800 . 1 588 60 60 THR CB C 69.7610 . 1 589 60 60 THR N N 119.6240 . 1 590 61 61 ALA H H 7.7950 . 1 591 61 61 ALA HA H 5.2460 . 1 592 61 61 ALA HB H 1.0900 . 1 593 61 61 ALA C C 174.7530 . 1 594 61 61 ALA CA C 49.7720 . 1 595 61 61 ALA CB C 22.8890 . 1 596 61 61 ALA N N 126.7060 . 1 597 62 62 TYR H H 8.7110 . 1 598 62 62 TYR HB2 H 2.7850 . 1 599 62 62 TYR HB3 H 2.7850 . 1 600 62 62 TYR HD2 H 7.0100 . 3 601 62 62 TYR C C 173.4310 . 1 602 62 62 TYR CA C 56.6470 . 1 603 62 62 TYR CB C 40.5490 . 1 604 62 62 TYR CD2 C 132.9300 . 2 605 62 62 TYR N N 117.8590 . 1 606 63 63 LEU H H 8.7460 . 1 607 63 63 LEU HA H 5.4110 . 1 608 63 63 LEU HB2 H 1.8030 . 1 609 63 63 LEU HB3 H 1.8030 . 1 610 63 63 LEU HG H 1.3300 . 1 611 63 63 LEU HD1 H 0.9190 . 2 612 63 63 LEU C C 175.3190 . 1 613 63 63 LEU CA C 53.2300 . 1 614 63 63 LEU CB C 45.7010 . 1 615 63 63 LEU CG C 26.8870 . 1 616 63 63 LEU CD1 C 25.3200 . 2 617 63 63 LEU N N 125.0440 . 1 618 64 64 ASP H H 9.2930 . 1 619 64 64 ASP HA H 5.1990 . 1 620 64 64 ASP HB2 H 2.7330 . 1 621 64 64 ASP HB3 H 2.7330 . 1 622 64 64 ASP C C 174.5120 . 1 623 64 64 ASP CA C 52.7000 . 1 624 64 64 ASP CB C 43.9540 . 1 625 64 64 ASP N N 125.4630 . 1 626 65 65 GLU H H 8.7150 . 1 627 65 65 GLU HA H 5.0670 . 1 628 65 65 GLU HB2 H 1.8360 . 1 629 65 65 GLU HB3 H 1.8360 . 1 630 65 65 GLU C C 175.6520 . 1 631 65 65 GLU CA C 55.6430 . 1 632 65 65 GLU CB C 30.4550 . 1 633 65 65 GLU N N 120.7110 . 1 634 66 66 VAL H H 9.1560 . 1 635 66 66 VAL HA H 4.4300 . 1 636 66 66 VAL HB H 2.0160 . 1 637 66 66 VAL HG1 H 0.5010 . 2 638 66 66 VAL HG2 H 0.5010 . 2 639 66 66 VAL C C 175.0650 . 1 640 66 66 VAL CA C 60.9910 . 1 641 66 66 VAL CB C 34.2800 . 1 642 66 66 VAL CG1 C 21.5570 . 2 643 66 66 VAL CG2 C 21.2790 . 2 644 66 66 VAL N N 122.9360 . 1 645 67 67 ARG H H 8.7340 . 1 646 67 67 ARG HA H 4.5410 . 1 647 67 67 ARG HB2 H 1.8070 . 1 648 67 67 ARG HB3 H 1.8070 . 1 649 67 67 ARG HG2 H 1.5680 . 2 650 67 67 ARG HG3 H 1.5680 . 2 651 67 67 ARG C C 176.7080 . 1 652 67 67 ARG CA C 56.0800 . 1 653 67 67 ARG CB C 30.9080 . 1 654 67 67 ARG CG C 27.4060 . 1 655 67 67 ARG N N 126.1040 . 1 656 68 68 VAL H H 8.3840 . 1 657 68 68 VAL HA H 4.1520 . 1 658 68 68 VAL HB H 1.8010 . 1 659 68 68 VAL HG2 H 0.7430 . 2 660 68 68 VAL C C 175.9310 . 1 661 68 68 VAL CA C 62.7760 . 1 662 68 68 VAL CB C 32.4890 . 1 663 68 68 VAL CG2 C 21.1500 . 2 664 68 68 VAL N N 120.7070 . 1 665 69 69 SER H H 8.0670 . 1 666 69 69 SER HA H 4.6930 . 1 667 69 69 SER HB2 H 3.8800 . 1 668 69 69 SER HB3 H 3.8800 . 1 669 69 69 SER C C 174.5440 . 1 670 69 69 SER CA C 57.7540 . 1 671 69 69 SER CB C 64.8310 . 1 672 69 69 SER N N 116.1560 . 1 673 70 70 THR H H 8.0950 . 1 674 70 70 THR HA H 4.1520 . 1 675 70 70 THR HB H 3.5510 . 1 676 70 70 THR C C 174.8650 . 1 677 70 70 THR CA C 63.8310 . 1 678 70 70 THR CB C 68.9560 . 1 679 70 70 THR N N 110.7530 . 1 680 71 71 ASP H H 8.0760 . 1 681 71 71 ASP HA H 4.5900 . 1 682 71 71 ASP HB2 H 2.6760 . 1 683 71 71 ASP HB3 H 2.6760 . 1 684 71 71 ASP C C 176.7460 . 1 685 71 71 ASP CA C 54.2640 . 1 686 71 71 ASP CB C 41.4250 . 1 687 71 71 ASP N N 121.8170 . 1 688 72 72 GLU H H 8.5140 . 1 689 72 72 GLU HA H 3.9930 . 1 690 72 72 GLU HB2 H 2.0230 . 1 691 72 72 GLU HB3 H 2.0230 . 1 692 72 72 GLU HG2 H 2.0700 . 2 693 72 72 GLU HG3 H 2.0700 . 2 694 72 72 GLU C C 176.9710 . 1 695 72 72 GLU CA C 58.2190 . 1 696 72 72 GLU CB C 29.7020 . 1 697 72 72 GLU CG C 36.0800 . 1 698 72 72 GLU N N 123.6350 . 1 699 73 73 LYS H H 8.4230 . 1 700 73 73 LYS HA H 4.6430 . 1 701 73 73 LYS HB2 H 1.8040 . 1 702 73 73 LYS HB3 H 1.8040 . 1 703 73 73 LYS HD2 H 1.6480 . 2 704 73 73 LYS HD3 H 1.6480 . 2 705 73 73 LYS C C 176.5080 . 1 706 73 73 LYS CA C 57.0800 . 1 707 73 73 LYS CB C 32.2030 . 1 708 73 73 LYS CD C 29.1500 . 1 709 73 73 LYS N N 117.8570 . 1 710 74 74 ASP H H 7.9180 . 1 711 74 74 ASP HA H 4.7580 . 1 712 74 74 ASP HB2 H 2.8910 . 1 713 74 74 ASP HB3 H 2.4620 . 1 714 74 74 ASP C C 174.0590 . 1 715 74 74 ASP CA C 53.2790 . 1 716 74 74 ASP CB C 40.5780 . 1 717 74 74 ASP N N 120.5800 . 1 718 75 75 PHE H H 7.3970 . 1 719 75 75 PHE HA H 5.3630 . 1 720 75 75 PHE HB2 H 2.8450 . 1 721 75 75 PHE HB3 H 2.8450 . 1 722 75 75 PHE HD2 H 6.9700 . 3 723 75 75 PHE HE2 H 7.2500 . 3 724 75 75 PHE C C 173.0380 . 1 725 75 75 PHE CA C 55.5220 . 1 726 75 75 PHE CB C 41.7140 . 1 727 75 75 PHE CD2 C 132.1200 . 2 728 75 75 PHE CE2 C 131.0600 . 2 729 75 75 PHE N N 118.5130 . 1 730 76 76 LEU H H 8.7740 . 1 731 76 76 LEU HA H 4.6430 . 1 732 76 76 LEU HB2 H 1.6900 . 1 733 76 76 LEU HB3 H 1.6900 . 1 734 76 76 LEU HG H 1.5130 . 1 735 76 76 LEU HD1 H 0.7890 . 2 736 76 76 LEU C C 177.5530 . 1 737 76 76 LEU CA C 53.6190 . 1 738 76 76 LEU CB C 45.7010 . 1 739 76 76 LEU CG C 26.8900 . 1 740 76 76 LEU CD1 C 25.1800 . 2 741 76 76 LEU N N 116.7730 . 1 742 77 77 TYR H H 8.5890 . 1 743 77 77 TYR HA H 5.4150 . 1 744 77 77 TYR HB2 H 3.1150 . 1 745 77 77 TYR HB3 H 3.1150 . 1 746 77 77 TYR HD1 H 6.9260 . 3 747 77 77 TYR HE1 H 6.7200 . 3 748 77 77 TYR C C 175.4790 . 1 749 77 77 TYR CA C 58.3910 . 1 750 77 77 TYR CB C 41.1000 . 1 751 77 77 TYR CD1 C 132.9900 . 2 752 77 77 TYR CE1 C 117.5800 . 2 753 77 77 TYR N N 118.3770 . 1 754 78 78 GLU H H 9.5760 . 1 755 78 78 GLU HA H 4.9730 . 1 756 78 78 GLU HB2 H 1.9060 . 1 757 78 78 GLU HB3 H 1.9060 . 1 758 78 78 GLU HG2 H 1.9500 . 2 759 78 78 GLU HG3 H 1.9500 . 2 760 78 78 GLU C C 174.1200 . 1 761 78 78 GLU CA C 54.3780 . 1 762 78 78 GLU CB C 32.6400 . 1 763 78 78 GLU CG C 35.9400 . 1 764 78 78 GLU N N 123.8750 . 1 765 79 79 LEU H H 9.1390 . 1 766 79 79 LEU HA H 5.2890 . 1 767 79 79 LEU HB2 H 2.0110 . 1 768 79 79 LEU HB3 H 2.0110 . 1 769 79 79 LEU HG H 1.0700 . 1 770 79 79 LEU HD1 H 0.4500 . 2 771 79 79 LEU C C 174.2190 . 1 772 79 79 LEU CA C 53.1490 . 1 773 79 79 LEU CB C 46.6300 . 1 774 79 79 LEU CG C 27.2500 . 1 775 79 79 LEU CD1 C 25.3440 . 2 776 79 79 LEU N N 128.6610 . 1 777 80 80 HIS H H 8.8970 . 1 778 80 80 HIS HA H 5.4300 . 1 779 80 80 HIS HB2 H 2.5200 . 1 780 80 80 HIS HB3 H 2.9800 . 1 781 80 80 HIS HD2 H 6.9880 . 1 782 80 80 HIS C C 173.3460 . 1 783 80 80 HIS CA C 53.1490 . 1 784 80 80 HIS CB C 30.7680 . 1 785 80 80 HIS CD2 C 119.7000 . 1 786 80 80 HIS N N 124.8860 . 1 787 81 81 ILE H H 8.9090 . 1 788 81 81 ILE HA H 4.2900 . 1 789 81 81 ILE HB H 1.2800 . 1 790 81 81 ILE HG12 H 1.0300 . 2 791 81 81 ILE HG13 H 1.0300 . 2 792 81 81 ILE HG2 H 0.4950 . 1 793 81 81 ILE HD1 H 0.3020 . 1 794 81 81 ILE C C 174.6000 . 1 795 81 81 ILE CA C 60.5000 . 1 796 81 81 ILE CB C 39.7000 . 1 797 81 81 ILE CG1 C 28.0100 . 1 798 81 81 ILE CD1 C 13.9800 . 1 799 81 81 ILE N N 125.1730 . 1 800 82 82 ILE H H 8.4840 . 1 801 82 82 ILE HA H 4.2070 . 1 802 82 82 ILE HB H 1.9100 . 1 803 82 82 ILE HG12 H 1.4200 . 2 804 82 82 ILE HG13 H 1.4200 . 2 805 82 82 ILE HG2 H 1.0700 . 1 806 82 82 ILE C C 181.9000 . 1 807 82 82 ILE CA C 63.0000 . 1 808 82 82 ILE CB C 39.2000 . 1 809 82 82 ILE CG1 C 28.1300 . 1 810 82 82 ILE CG2 C 17.4000 . 1 811 82 82 ILE N N 130.3920 . 1 stop_ save_