data_27767 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for bacteriophage protein Gp46 ; _BMRB_accession_number 27767 _BMRB_flat_file_name bmr27767.str _Entry_type original _Submission_date 2019-01-26 _Accession_date 2019-01-26 _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 Liu Bing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 466 "13C chemical shifts" 355 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-17 update BMRB 'update entry citation' 2019-03-08 original author 'original release' stop_ _Original_release_date 2019-01-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N NMR assignments of Bacillus subtilis bacteriophage SPO1 protein Gp46 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30830594 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Peipei . . 2 Wang Zhihao . . 3 Zhao Siyu . . 4 Wang Yawen . . 5 Matthews Steve . . 6 Liu Bing . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 245 _Page_last 247 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gp46 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Gp46 $Gp46 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_Gp46 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gp46 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MMTEDQKFKYLTKIEELEAG CFSDWTKEDITGDLKYLKKG IIEESIELIRAVNGLTYSEE LHDFTQEIIEELDISPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 THR 4 GLU 5 ASP 6 GLN 7 LYS 8 PHE 9 LYS 10 TYR 11 LEU 12 THR 13 LYS 14 ILE 15 GLU 16 GLU 17 LEU 18 GLU 19 ALA 20 GLY 21 CYS 22 PHE 23 SER 24 ASP 25 TRP 26 THR 27 LYS 28 GLU 29 ASP 30 ILE 31 THR 32 GLY 33 ASP 34 LEU 35 LYS 36 TYR 37 LEU 38 LYS 39 LYS 40 GLY 41 ILE 42 ILE 43 GLU 44 GLU 45 SER 46 ILE 47 GLU 48 LEU 49 ILE 50 ARG 51 ALA 52 VAL 53 ASN 54 GLY 55 LEU 56 THR 57 TYR 58 SER 59 GLU 60 GLU 61 LEU 62 HIS 63 ASP 64 PHE 65 THR 66 GLN 67 GLU 68 ILE 69 ILE 70 GLU 71 GLU 72 LEU 73 ASP 74 ILE 75 SER 76 PRO 77 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 $Gp46 'E. coli' 562 Bacteria . Escherichia coli 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 $Gp46 'recombinant technology' . Escherichia coli . pET-SUMO 'SUMO tag removed by SUMO protease' 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 $Gp46 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 300 mM 'natural abundance' TCEP 1 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' processing 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-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-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' 0.35 . M pH 6.5 . pH pressure 1 . atm temperature 300 . 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 water C 13 protons ppm 4.8 internal indirect . . . 0.251449530 water H 1 protons ppm 4.8 internal indirect . . . 1 water N 15 protons ppm 4.8 internal 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 CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D HBHA(CO)NH' '3D (H)CCH-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 Gp46 _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 MET HA H 4.738 . 1 2 2 2 MET HB2 H 1.988 . 2 3 2 2 MET HB3 H 1.981 . 2 4 2 2 MET HG2 H 2.524 . 2 5 2 2 MET HG3 H 2.524 . 2 6 2 2 MET C C 175.806 . 1 7 2 2 MET CA C 55.017 . 1 8 2 2 MET CB C 36.065 . 1 9 2 2 MET CG C 29.999 . 1 10 3 3 THR H H 8.750 . 1 11 3 3 THR HA H 4.480 . 1 12 3 3 THR HB H 4.699 . 1 13 3 3 THR HG2 H 1.276 . 1 14 3 3 THR C C 175.189 . 1 15 3 3 THR CA C 60.157 . 1 16 3 3 THR CB C 71.276 . 1 17 3 3 THR CG2 C 19.500 . 1 18 3 3 THR N N 115.411 . 1 19 4 4 GLU H H 9.002 . 1 20 4 4 GLU HA H 3.930 . 1 21 4 4 GLU HB2 H 2.004 . 2 22 4 4 GLU HB3 H 2.004 . 2 23 4 4 GLU HG2 H 2.256 . 2 24 4 4 GLU HG3 H 2.256 . 2 25 4 4 GLU C C 178.387 . 1 26 4 4 GLU CA C 59.129 . 1 27 4 4 GLU CB C 29.554 . 1 28 4 4 GLU CG C 34.146 . 1 29 4 4 GLU N N 121.891 . 1 30 5 5 ASP H H 8.246 . 1 31 5 5 ASP HA H 4.389 . 1 32 5 5 ASP HB2 H 2.500 . 2 33 5 5 ASP HB3 H 2.500 . 2 34 5 5 ASP CA C 56.387 . 1 35 5 5 ASP CB C 41.12 . 1 36 5 5 ASP N N 117.649 . 1 37 6 6 GLN H H 7.631 . 1 38 6 6 GLN HA H 3.534 . 1 39 6 6 GLN HB2 H 1.721 . 2 40 6 6 GLN HB3 H 2.151 . 2 41 6 6 GLN HG2 H 2.209 . 2 42 6 6 GLN HG3 H 2.215 . 2 43 6 6 GLN C C 175.737 . 1 44 6 6 GLN CA C 58.187 . 1 45 6 6 GLN CB C 28.869 . 1 46 6 6 GLN CG C 32.000 . 1 47 6 6 GLN N N 121.437 . 1 48 7 7 LYS H H 8.055 . 1 49 7 7 LYS HA H 3.690 . 1 50 7 7 LYS HB2 H 1.761 . 2 51 7 7 LYS HB3 H 1.751 . 2 52 7 7 LYS HG2 H 1.361 . 2 53 7 7 LYS HG3 H 1.363 . 2 54 7 7 LYS HD2 H 1.752 . 2 55 7 7 LYS HD3 H 1.752 . 2 56 7 7 LYS HE2 H 3.045 . 2 57 7 7 LYS HE3 H 3.035 . 2 58 7 7 LYS C C 177.779 . 1 59 7 7 LYS CA C 60.414 . 1 60 7 7 LYS CB C 32.724 . 1 61 7 7 LYS CG C 22.837 . 1 62 7 7 LYS CD C 27.500 . 1 63 7 7 LYS CE C 39.380 . 1 64 7 7 LYS N N 118.498 . 1 65 8 8 PHE H H 8.145 . 1 66 8 8 PHE HA H 4.202 . 1 67 8 8 PHE HB2 H 3.086 . 2 68 8 8 PHE HB3 H 3.183 . 2 69 8 8 PHE HD1 H 7.224 . 3 70 8 8 PHE HD2 H 7.224 . 3 71 8 8 PHE HE1 H 7.230 . 3 72 8 8 PHE HE2 H 7.224 . 3 73 8 8 PHE C C 178.412 . 1 74 8 8 PHE CA C 60.5 . 1 75 8 8 PHE CB C 39.064 . 1 76 8 8 PHE CD1 C 128.929 . 3 77 8 8 PHE CD2 C 128.929 . 3 78 8 8 PHE CE1 C 128.400 . 3 79 8 8 PHE CE2 C 128.400 . 3 80 8 8 PHE N N 116.8 . 1 81 9 9 LYS H H 7.909 . 1 82 9 9 LYS HA H 3.920 . 1 83 9 9 LYS HB2 H 1.791 . 2 84 9 9 LYS HB3 H 1.791 . 2 85 9 9 LYS HG2 H 1.390 . 2 86 9 9 LYS HG3 H 1.390 . 2 87 9 9 LYS HD2 H 1.436 . 2 88 9 9 LYS HD3 H 1.436 . 2 89 9 9 LYS HE2 H 2.824 . 2 90 9 9 LYS HE3 H 2.830 . 2 91 9 9 LYS C C 179.532 . 1 92 9 9 LYS CA C 59.129 . 1 93 9 9 LYS CB C 32.296 . 1 94 9 9 LYS CG C 22.089 . 1 95 9 9 LYS CD C 27.323 . 1 96 9 9 LYS CE C 39.493 . 1 97 9 9 LYS N N 123.058 . 1 98 10 10 TYR H H 8.260 . 1 99 10 10 TYR HA H 4.749 . 1 100 10 10 TYR HB2 H 3.110 . 2 101 10 10 TYR HB3 H 3.120 . 2 102 10 10 TYR HD1 H 6.925 . 3 103 10 10 TYR HD2 H 6.925 . 3 104 10 10 TYR HE1 H 6.678 . 3 105 10 10 TYR HE2 H 6.672 . 3 106 10 10 TYR C C 178.478 . 1 107 10 10 TYR CA C 58.015 . 1 108 10 10 TYR CB C 37.95 . 1 109 10 10 TYR CD1 C 128.900 . 3 110 10 10 TYR CD2 C 128.900 . 3 111 10 10 TYR CE1 C 115.400 . 3 112 10 10 TYR CE2 C 115.400 . 3 113 10 10 TYR N N 119.867 . 1 114 11 11 LEU H H 8.859 . 1 115 11 11 LEU HA H 4.080 . 1 116 11 11 LEU HB2 H 1.501 . 2 117 11 11 LEU HB3 H 1.851 . 2 118 11 11 LEU HG H 1.505 . 1 119 11 11 LEU HD1 H 0.869 . 2 120 11 11 LEU HD2 H 0.869 . 2 121 11 11 LEU C C 179.506 . 1 122 11 11 LEU CA C 57.673 . 1 123 11 11 LEU CB C 41.291 . 1 124 11 11 LEU CG C 24.5 . 1 125 11 11 LEU CD1 C 19.940 . 2 126 11 11 LEU CD2 C 19.973 . 2 127 11 11 LEU N N 119.472 . 1 128 12 12 THR H H 8.216 . 1 129 12 12 THR HA H 3.818 . 1 130 12 12 THR HB H 4.022 . 1 131 12 12 THR HG2 H 1.079 . 1 132 12 12 THR C C 175.806 . 1 133 12 12 THR CA C 66.24 . 1 134 12 12 THR CB C 68.963 . 1 135 12 12 THR CG2 C 19.116 . 1 136 12 12 THR N N 117.547 . 1 137 13 13 LYS H H 7.457 . 1 138 13 13 LYS HA H 4.060 . 1 139 13 13 LYS HB2 H 1.841 . 2 140 13 13 LYS HB3 H 1.841 . 2 141 13 13 LYS HG2 H 0.859 . 2 142 13 13 LYS HG3 H 0.859 . 2 143 13 13 LYS HD2 H 1.805 . 2 144 13 13 LYS HD3 H 1.799 . 2 145 13 13 LYS HE2 H 2.383 . 2 146 13 13 LYS HE3 H 2.388 . 2 147 13 13 LYS C C 178.25 . 1 148 13 13 LYS CA C 57.844 . 1 149 13 13 LYS CB C 31.702 . 1 150 13 13 LYS CG C 21.902 . 1 151 13 13 LYS CD C 26.202 . 1 152 13 13 LYS CE C 39.5 . 1 153 13 13 LYS N N 122.988 . 1 154 14 14 ILE H H 8.133 . 1 155 14 14 ILE HA H 3.486 . 1 156 14 14 ILE HB H 2.071 . 1 157 14 14 ILE HG12 H 1.158 . 9 158 14 14 ILE HG13 H 1.158 . 9 159 14 14 ILE HG2 H 0.869 . 1 160 14 14 ILE HD1 H 0.757 . 1 161 14 14 ILE C C 176.56 . 1 162 14 14 ILE CA C 65.212 . 1 163 14 14 ILE CB C 37.95 . 1 164 14 14 ILE CG1 C 27.790 . 1 165 14 14 ILE CG2 C 14.706 . 1 166 14 14 ILE CD1 C 11.020 . 1 167 14 14 ILE N N 119.42 . 1 168 15 15 GLU H H 7.997 . 1 169 15 15 GLU HA H 4.080 . 1 170 15 15 GLU HB2 H 1.961 . 2 171 15 15 GLU HB3 H 2.191 . 2 172 15 15 GLU HG2 H 2.373 . 2 173 15 15 GLU HG3 H 2.373 . 2 174 15 15 GLU C C 179.278 . 1 175 15 15 GLU CA C 58.872 . 1 176 15 15 GLU CB C 29.64 . 1 177 15 15 GLU CG C 34.053 . 1 178 15 15 GLU N N 119.983 . 1 179 16 16 GLU H H 7.760 . 1 180 16 16 GLU HA H 4.000 . 1 181 16 16 GLU HB2 H 2.021 . 2 182 16 16 GLU HB3 H 2.191 . 2 183 16 16 GLU HG2 H 2.430 . 2 184 16 16 GLU HG3 H 2.430 . 2 185 16 16 GLU C C 179.506 . 1 186 16 16 GLU CA C 58.786 . 1 187 16 16 GLU CB C 29.811 . 1 188 16 16 GLU CG C 33.492 . 1 189 16 16 GLU N N 120.794 . 1 190 17 17 LEU H H 8.202 . 1 191 17 17 LEU HA H 4.023 . 1 192 17 17 LEU HB2 H 1.922 . 2 193 17 17 LEU HB3 H 1.922 . 2 194 17 17 LEU HG H 1.521 . 1 195 17 17 LEU HD1 H 0.853 . 2 196 17 17 LEU HD2 H 0.853 . 2 197 17 17 LEU C C 179.821 . 1 198 17 17 LEU CA C 56.816 . 1 199 17 17 LEU CB C 42.405 . 1 200 17 17 LEU CG C 23.865 . 1 201 17 17 LEU CD1 C 21.000 . 1 202 17 17 LEU CD2 C 21.001 . 2 203 17 17 LEU N N 121.621 . 1 204 18 18 GLU H H 8.689 . 1 205 18 18 GLU HA H 3.770 . 1 206 18 18 GLU HB2 H 2.167 . 2 207 18 18 GLU HB3 H 1.938 . 2 208 18 18 GLU HG2 H 2.146 . 2 209 18 18 GLU HG3 H 2.152 . 2 210 18 18 GLU C C 177.816 . 1 211 18 18 GLU CA C 58.872 . 1 212 18 18 GLU CB C 30.582 . 1 213 18 18 GLU CG C 33.959 . 1 214 18 18 GLU N N 120.455 . 1 215 19 19 ALA H H 7.764 . 1 216 19 19 ALA HA H 4.229 . 1 217 19 19 ALA HB H 1.481 . 1 218 19 19 ALA C C 179.212 . 1 219 19 19 ALA CA C 53.218 . 1 220 19 19 ALA CB C 18.759 . 1 221 19 19 ALA N N 120.463 . 1 222 20 20 GLY H H 7.772 . 1 223 20 20 GLY HA2 H 3.930 . 2 224 20 20 GLY HA3 H 3.930 . 2 225 20 20 GLY C C 174.655 . 1 226 20 20 GLY CA C 45.25 . 1 227 20 20 GLY N N 106.07 . 1 228 21 21 CYS H H 7.781 . 1 229 21 21 CYS HA H 4.259 . 1 230 21 21 CYS HB2 H 2.713 . 2 231 21 21 CYS HB3 H 2.713 . 2 232 21 21 CYS C C 174.635 . 1 233 21 21 CYS CA C 60.071 . 1 234 21 21 CYS CB C 27.412 . 1 235 21 21 CYS N N 119.316 . 1 236 22 22 PHE H H 8.049 . 1 237 22 22 PHE HA H 4.606 . 1 238 22 22 PHE HB2 H 3.020 . 2 239 22 22 PHE HB3 H 3.230 . 2 240 22 22 PHE HD1 H 7.198 . 3 241 22 22 PHE HD2 H 7.198 . 3 242 22 22 PHE HE1 H 7.198 . 3 243 22 22 PHE HE2 H 7.193 . 3 244 22 22 PHE C C 176.08 . 1 245 22 22 PHE CA C 57.33 . 1 246 22 22 PHE CB C 39.064 . 1 247 22 22 PHE CD1 C 128.900 . 3 248 22 22 PHE CD2 C 128.900 . 3 249 22 22 PHE CE1 C 129.000 . 3 250 22 22 PHE CE2 C 129.000 . 3 251 22 22 PHE N N 120.189 . 1 252 23 23 SER H H 8.024 . 1 253 23 23 SER HA H 4.338 . 1 254 23 23 SER HB2 H 3.820 . 2 255 23 23 SER HB3 H 3.830 . 2 256 23 23 SER C C 174.001 . 1 257 23 23 SER CA C 58.701 . 1 258 23 23 SER CB C 64.08 . 1 259 23 23 SER N N 115.616 . 1 260 24 24 ASP H H 8.020 . 1 261 24 24 ASP HA H 4.685 . 1 262 24 24 ASP HB2 H 2.748 . 2 263 24 24 ASP HB3 H 2.748 . 2 264 24 24 ASP C C 175.654 . 1 265 24 24 ASP CA C 53.475 . 1 266 24 24 ASP CB C 41.634 . 1 267 24 24 ASP N N 121.122 . 1 268 25 25 TRP H H 8.085 . 1 269 25 25 TRP HA H 4.590 . 1 270 25 25 TRP HB2 H 3.350 . 2 271 25 25 TRP HB3 H 3.350 . 2 272 25 25 TRP HD1 H 7.273 . 1 273 25 25 TRP HE1 H 10.070 . 1 274 25 25 TRP HE3 H 7.009 . 1 275 25 25 TRP HZ2 H 7.344 . 1 276 25 25 TRP HZ3 H 6.993 . 1 277 25 25 TRP HH2 H 7.025 . 1 278 25 25 TRP C C 175.989 . 1 279 25 25 TRP CA C 58.187 . 1 280 25 25 TRP CB C 29.57 . 1 281 25 25 TRP CD1 C 124.400 . 1 282 25 25 TRP CZ2 C 111.900 . 1 283 25 25 TRP CZ3 C 118.430 . 1 284 25 25 TRP CH2 C 121.400 . 1 285 25 25 TRP N N 122.445 . 1 286 25 25 TRP NE1 N 129.600 . 1 287 26 26 THR H H 7.987 . 1 288 26 26 THR HA H 4.228 . 1 289 26 26 THR HB H 4.060 . 1 290 26 26 THR HG2 H 1.000 . 1 291 26 26 THR C C 173.978 . 1 292 26 26 THR CA C 60.842 . 1 293 26 26 THR CB C 70.163 . 1 294 26 26 THR CG2 C 17.510 . 1 295 26 26 THR N N 112.095 . 1 296 27 27 LYS H H 7.936 . 1 297 27 27 LYS HA H 4.259 . 1 298 27 27 LYS HB2 H 1.781 . 2 299 27 27 LYS HB3 H 1.891 . 2 300 27 27 LYS HG2 H 1.340 . 2 301 27 27 LYS HG3 H 1.342 . 2 302 27 27 LYS HD2 H 1.610 . 2 303 27 27 LYS HD3 H 1.610 . 2 304 27 27 LYS HE2 H 2.934 . 2 305 27 27 LYS HE3 H 2.940 . 2 306 27 27 LYS C C 176.354 . 1 307 27 27 LYS CA C 55.873 . 1 308 27 27 LYS CB C 33.152 . 1 309 27 27 LYS CG C 22.500 . 1 310 27 27 LYS CD C 26.556 . 1 311 27 27 LYS CE C 39.286 . 1 312 27 27 LYS N N 123.473 . 1 313 28 28 GLU H H 8.051 . 1 314 28 28 GLU HA H 4.209 . 1 315 28 28 GLU HB2 H 1.881 . 2 316 28 28 GLU HB3 H 1.891 . 2 317 28 28 GLU HG2 H 2.209 . 2 318 28 28 GLU HG3 H 2.215 . 2 319 28 28 GLU C C 175.67 . 1 320 28 28 GLU CA C 55.531 . 1 321 28 28 GLU CB C 30.925 . 1 322 28 28 GLU CG C 34.520 . 1 323 28 28 GLU N N 120.38 . 1 324 29 29 ASP H H 8.580 . 1 325 29 29 ASP HA H 4.589 . 1 326 29 29 ASP HB2 H 2.751 . 2 327 29 29 ASP HB3 H 2.745 . 2 328 29 29 ASP C C 177.413 . 1 329 29 29 ASP CA C 54.331 . 1 330 29 29 ASP CB C 41.034 . 1 331 29 29 ASP N N 121.637 . 1 332 30 30 ILE H H 7.970 . 1 333 30 30 ILE HA H 4.685 . 1 334 30 30 ILE HB H 2.341 . 1 335 30 30 ILE HG12 H 1.184 . 9 336 30 30 ILE HG13 H 1.190 . 9 337 30 30 ILE HG2 H 0.880 . 1 338 30 30 ILE HD1 H 0.882 . 1 339 30 30 ILE C C 176.08 . 1 340 30 30 ILE CA C 60.757 . 1 341 30 30 ILE CB C 38.892 . 1 342 30 30 ILE CG1 C 23.398 . 1 343 30 30 ILE CG2 C 15.521 . 1 344 30 30 ILE CD1 C 12.482 . 1 345 30 30 ILE N N 120.252 . 1 346 31 31 THR H H 8.553 . 1 347 31 31 THR HA H 3.820 . 1 348 31 31 THR HB H 4.219 . 1 349 31 31 THR HG2 H 1.350 . 1 350 31 31 THR C C 176.994 . 1 351 31 31 THR CA C 66.325 . 1 352 31 31 THR CB C 68.963 . 1 353 31 31 THR CG2 C 19.566 . 1 354 31 31 THR N N 117.72 . 1 355 32 32 GLY H H 8.510 . 1 356 32 32 GLY HA2 H 3.920 . 2 357 32 32 GLY HA3 H 3.920 . 2 358 32 32 GLY C C 174.709 . 1 359 32 32 GLY CA C 46.707 . 1 360 32 32 GLY N N 110.883 . 1 361 33 33 ASP H H 7.756 . 1 362 33 33 ASP HA H 4.599 . 1 363 33 33 ASP HB2 H 2.611 . 2 364 33 33 ASP HB3 H 2.611 . 2 365 33 33 ASP C C 178.27 . 1 366 33 33 ASP CA C 56.987 . 1 367 33 33 ASP CB C 42.662 . 1 368 33 33 ASP N N 119.716 . 1 369 34 34 LEU H H 8.502 . 1 370 34 34 LEU HA H 3.920 . 1 371 34 34 LEU HB2 H 1.390 . 2 372 34 34 LEU HB3 H 1.920 . 2 373 34 34 LEU HG H 1.866 . 1 374 34 34 LEU HD1 H 0.865 . 2 375 34 34 LEU HD2 H 0.865 . 2 376 34 34 LEU C C 178.013 . 1 377 34 34 LEU CA C 57.158 . 1 378 34 34 LEU CB C 42.405 . 1 379 34 34 LEU CG C 24.010 . 1 380 34 34 LEU CD1 C 21.500 . 1 381 34 34 LEU CD2 C 21.500 . 1 382 34 34 LEU N N 117.156 . 1 383 35 35 LYS H H 7.557 . 1 384 35 35 LYS HA H 3.944 . 1 385 35 35 LYS HB2 H 1.721 . 2 386 35 35 LYS HB3 H 1.721 . 2 387 35 35 LYS HG2 H 1.405 . 2 388 35 35 LYS HG3 H 1.406 . 2 389 35 35 LYS HD2 H 1.400 . 2 390 35 35 LYS HD3 H 1.405 . 2 391 35 35 LYS HE2 H 2.840 . 2 392 35 35 LYS HE3 H 2.846 . 2 393 35 35 LYS C C 178.41 . 1 394 35 35 LYS CA C 58.786 . 1 395 35 35 LYS CB C 31.953 . 1 396 35 35 LYS CG C 21.500 . 1 397 35 35 LYS CD C 27.543 . 1 398 35 35 LYS CE C 39.493 . 1 399 35 35 LYS N N 118.157 . 1 400 36 36 TYR H H 6.770 . 1 401 36 36 TYR HA H 3.500 . 1 402 36 36 TYR HB2 H 2.136 . 2 403 36 36 TYR HB3 H 2.136 . 2 404 36 36 TYR HD1 H 6.562 . 3 405 36 36 TYR HD2 H 6.562 . 3 406 36 36 TYR HE1 H 6.221 . 3 407 36 36 TYR HE2 H 6.215 . 3 408 36 36 TYR C C 176.854 . 1 409 36 36 TYR CA C 61.613 . 1 410 36 36 TYR CB C 38.464 . 1 411 36 36 TYR CD1 C 130.426 . 3 412 36 36 TYR CD2 C 130.428 . 3 413 36 36 TYR CE1 C 114.440 . 3 414 36 36 TYR CE2 C 114.440 . 3 415 36 36 TYR N N 118.991 . 1 416 37 37 LEU H H 8.183 . 1 417 37 37 LEU HA H 4.007 . 1 418 37 37 LEU HB2 H 1.931 . 2 419 37 37 LEU HB3 H 1.925 . 2 420 37 37 LEU HG H 1.530 . 1 421 37 37 LEU HD1 H 0.827 . 2 422 37 37 LEU HD2 H 0.805 . 2 423 37 37 LEU C C 177.017 . 1 424 37 37 LEU CA C 56.673 . 1 425 37 37 LEU CB C 42.405 . 1 426 37 37 LEU CG C 24.239 . 1 427 37 37 LEU CD1 C 20.968 . 2 428 37 37 LEU CD2 C 21.001 . 2 429 37 37 LEU N N 119.83 . 1 430 38 38 LYS H H 8.702 . 1 431 38 38 LYS HA H 3.548 . 1 432 38 38 LYS HB2 H 1.736 . 2 433 38 38 LYS HB3 H 1.736 . 2 434 38 38 LYS HG2 H 1.367 . 2 435 38 38 LYS HG3 H 1.373 . 2 436 38 38 LYS HD2 H 1.710 . 2 437 38 38 LYS HD3 H 1.710 . 2 438 38 38 LYS HE2 H 3.045 . 2 439 38 38 LYS HE3 H 3.051 . 2 440 38 38 LYS C C 176.993 . 1 441 38 38 LYS CA C 60.328 . 1 442 38 38 LYS CB C 32.724 . 1 443 38 38 LYS CG C 23.500 . 1 444 38 38 LYS CD C 26.856 . 1 445 38 38 LYS CE C 40.900 . 1 446 38 38 LYS N N 118.759 . 1 447 39 39 LYS H H 6.855 . 1 448 39 39 LYS HA H 3.940 . 1 449 39 39 LYS HB2 H 1.701 . 2 450 39 39 LYS HB3 H 1.701 . 2 451 39 39 LYS HG2 H 1.389 . 2 452 39 39 LYS HG3 H 1.395 . 2 453 39 39 LYS HD2 H 1.470 . 2 454 39 39 LYS HD3 H 1.410 . 2 455 39 39 LYS HE2 H 2.840 . 2 456 39 39 LYS HE3 H 2.846 . 2 457 39 39 LYS C C 177.085 . 1 458 39 39 LYS CA C 58.529 . 1 459 39 39 LYS CB C 33.067 . 1 460 39 39 LYS CG C 22.013 . 1 461 39 39 LYS CD C 27.417 . 1 462 39 39 LYS CE C 39.567 . 1 463 39 39 LYS N N 117.624 . 1 464 40 40 GLY H H 8.151 . 1 465 40 40 GLY HA2 H 3.429 . 2 466 40 40 GLY HA3 H 3.760 . 2 467 40 40 GLY C C 174.046 . 1 468 40 40 GLY CA C 47.478 . 1 469 40 40 GLY N N 105.041 . 1 470 41 41 ILE H H 8.308 . 1 471 41 41 ILE HA H 3.729 . 1 472 41 41 ILE HB H 2.011 . 1 473 41 41 ILE HG12 H 1.410 . 9 474 41 41 ILE HG13 H 1.410 . 1 475 41 41 ILE HG2 H 0.869 . 1 476 41 41 ILE HD1 H 0.585 . 1 477 41 41 ILE C C 177.268 . 1 478 41 41 ILE CA C 63.156 . 1 479 41 41 ILE CB C 37.57 . 1 480 41 41 ILE CG1 C 25.547 . 1 481 41 41 ILE CG2 C 15.547 . 1 482 41 41 ILE CD1 C 9.939 . 1 483 41 41 ILE N N 119.834 . 1 484 42 42 ILE H H 8.454 . 1 485 42 42 ILE HA H 3.461 . 1 486 42 42 ILE HB H 1.831 . 1 487 42 42 ILE HG12 H 1.105 . 9 488 42 42 ILE HG13 H 1.111 . 9 489 42 42 ILE HG2 H 0.916 . 1 490 42 42 ILE HD1 H 0.803 . 1 491 42 42 ILE C C 178.692 . 1 492 42 42 ILE CA C 65.811 . 1 493 42 42 ILE CB C 38.635 . 1 494 42 42 ILE CG1 C 27.697 . 1 495 42 42 ILE CG2 C 14.425 . 1 496 42 42 ILE CD1 C 11.154 . 1 497 42 42 ILE N N 119.488 . 1 498 43 43 GLU H H 8.389 . 1 499 43 43 GLU HA H 4.209 . 1 500 43 43 GLU HB2 H 1.701 . 2 501 43 43 GLU HB3 H 2.171 . 2 502 43 43 GLU HG2 H 2.373 . 2 503 43 43 GLU HG3 H 2.373 . 2 504 43 43 GLU CA C 55.102 . 1 505 43 43 GLU CB C 28.355 . 1 506 43 43 GLU CG C 34.001 . 1 507 43 43 GLU N N 115.525 . 1 508 44 44 GLU H H 7.554 . 1 509 44 44 GLU HA H 3.500 . 1 510 44 44 GLU HB2 H 2.121 . 2 511 44 44 GLU HB3 H 2.121 . 2 512 44 44 GLU HG2 H 2.309 . 2 513 44 44 GLU HG3 H 2.309 . 2 514 44 44 GLU C C 174.435 . 1 515 44 44 GLU CA C 56.559 . 1 516 44 44 GLU CB C 27.241 . 1 517 44 44 GLU CG C 34.333 . 1 518 44 44 GLU N N 120.636 . 1 519 45 45 SER H H 9.063 . 1 520 45 45 SER HA H 3.760 . 1 521 45 45 SER HB2 H 3.720 . 2 522 45 45 SER HB3 H 3.720 . 2 523 45 45 SER C C 174.846 . 1 524 45 45 SER CA C 54.674 . 1 525 45 45 SER CB C 63.48 . 1 526 45 45 SER N N 114.225 . 1 527 46 46 ILE H H 8.725 . 1 528 46 46 ILE HA H 3.739 . 1 529 46 46 ILE HB H 1.791 . 1 530 46 46 ILE HG12 H 1.357 . 9 531 46 46 ILE HG13 H 1.363 . 9 532 46 46 ILE HG2 H 0.884 . 1 533 46 46 ILE HD1 H 0.800 . 1 534 46 46 ILE C C 176.697 . 1 535 46 46 ILE CA C 62.299 . 1 536 46 46 ILE CB C 38.036 . 1 537 46 46 ILE CG1 C 26.295 . 1 538 46 46 ILE CG2 C 15.500 . 1 539 46 46 ILE CD1 C 10.593 . 1 540 46 46 ILE N N 129.672 . 1 541 47 47 GLU H H 8.707 . 1 542 47 47 GLU HA H 3.960 . 1 543 47 47 GLU HB2 H 1.689 . 2 544 47 47 GLU HB3 H 1.861 . 2 545 47 47 GLU HG2 H 2.183 . 2 546 47 47 GLU HG3 H 2.183 . 2 547 47 47 GLU C C 179.758 . 1 548 47 47 GLU CA C 59.3 . 1 549 47 47 GLU CB C 29.982 . 1 550 47 47 GLU CG C 33.398 . 1 551 47 47 GLU N N 121.271 . 1 552 48 48 LEU H H 7.717 . 1 553 48 48 LEU HA H 3.950 . 1 554 48 48 LEU HB2 H 1.361 . 2 555 48 48 LEU HB3 H 1.701 . 2 556 48 48 LEU HG H 1.546 . 1 557 48 48 LEU HD1 H 0.764 . 2 558 48 48 LEU HD2 H 0.764 . 2 559 48 48 LEU C C 177.693 . 1 560 48 48 LEU CA C 57.416 . 1 561 48 48 LEU CB C 42.47 . 1 562 48 48 LEU CG C 26.015 . 1 563 48 48 LEU CD1 C 21.248 . 2 564 48 48 LEU CD2 C 21.258 . 2 565 48 48 LEU N N 120.075 . 1 566 49 49 ILE H H 7.551 . 1 567 49 49 ILE HA H 3.260 . 1 568 49 49 ILE HB H 1.611 . 1 569 49 49 ILE HG12 H 1.710 . 9 570 49 49 ILE HG13 H 1.710 . 9 571 49 49 ILE HG2 H 0.506 . 1 572 49 49 ILE HD1 H 0.443 . 1 573 49 49 ILE C C 177.565 . 1 574 49 49 ILE CA C 65.726 . 1 575 49 49 ILE CB C 38.721 . 1 576 49 49 ILE CG1 C 26.502 . 1 577 49 49 ILE CG2 C 13.678 . 1 578 49 49 ILE CD1 C 10.967 . 1 579 49 49 ILE N N 118.913 . 1 580 50 50 ARG H H 8.705 . 1 581 50 50 ARG HA H 3.723 . 1 582 50 50 ARG HB2 H 1.757 . 2 583 50 50 ARG HB3 H 1.761 . 2 584 50 50 ARG HG2 H 1.395 . 2 585 50 50 ARG HG3 H 1.395 . 2 586 50 50 ARG HD2 H 3.051 . 2 587 50 50 ARG HD3 H 3.051 . 2 588 50 50 ARG C C 178.821 . 1 589 50 50 ARG CA C 59.215 . 1 590 50 50 ARG CB C 30.668 . 1 591 50 50 ARG CG C 26.010 . 1 592 50 50 ARG CD C 40.875 . 1 593 50 50 ARG N N 117.292 . 1 594 51 51 ALA H H 7.957 . 1 595 51 51 ALA HA H 3.930 . 1 596 51 51 ALA HB H 1.591 . 1 597 51 51 ALA C C 178.067 . 1 598 51 51 ALA CA C 55.017 . 1 599 51 51 ALA CB C 18.674 . 1 600 51 51 ALA N N 122.788 . 1 601 52 52 VAL H H 7.974 . 1 602 52 52 VAL HA H 4.180 . 1 603 52 52 VAL HB H 2.031 . 1 604 52 52 VAL HG1 H 1.137 . 2 605 52 52 VAL HG2 H 1.142 . 2 606 52 52 VAL C C 177.373 . 1 607 52 52 VAL CA C 64.441 . 1 608 52 52 VAL CB C 31.867 . 1 609 52 52 VAL CG1 C 18.688 . 2 610 52 52 VAL CG2 C 18.725 . 2 611 52 52 VAL N N 118.15 . 1 612 53 53 ASN H H 7.744 . 1 613 53 53 ASN HA H 4.239 . 1 614 53 53 ASN HB2 H 2.401 . 2 615 53 53 ASN HB3 H 2.750 . 2 616 53 53 ASN C C 176.094 . 1 617 53 53 ASN CA C 57.416 . 1 618 53 53 ASN CB C 41.205 . 1 619 53 53 ASN N N 116.01 . 1 620 54 54 GLY H H 7.850 . 1 621 54 54 GLY HA2 H 3.780 . 2 622 54 54 GLY HA3 H 4.090 . 2 623 54 54 GLY C C 174.687 . 1 624 54 54 GLY CA C 45.164 . 1 625 54 54 GLY N N 102.535 . 1 626 55 55 LEU H H 7.941 . 1 627 55 55 LEU HA H 4.360 . 1 628 55 55 LEU HB2 H 1.351 . 2 629 55 55 LEU HB3 H 0.616 . 2 630 55 55 LEU HG H 1.410 . 1 631 55 55 LEU HD1 H -0.072 . 2 632 55 55 LEU HD2 H 0.540 . 2 633 55 55 LEU C C 177.353 . 1 634 55 55 LEU CA C 54.074 . 1 635 55 55 LEU CB C 43.947 . 1 636 55 55 LEU CG C 23.524 . 1 637 55 55 LEU CD1 C 22.837 . 2 638 55 55 LEU CD2 C 20.031 . 1 639 55 55 LEU N N 118.602 . 1 640 56 56 THR H H 8.009 . 1 641 56 56 THR HA H 4.180 . 1 642 56 56 THR HB H 4.038 . 1 643 56 56 THR HG2 H 1.079 . 1 644 56 56 THR C C 173.356 . 1 645 56 56 THR CA C 61.613 . 1 646 56 56 THR CB C 69.134 . 1 647 56 56 THR CG2 C 18.725 . 1 648 56 56 THR N N 116.145 . 1 649 57 57 TYR H H 9.363 . 1 650 57 57 TYR HA H 4.689 . 1 651 57 57 TYR HB2 H 2.681 . 2 652 57 57 TYR HB3 H 3.280 . 2 653 57 57 TYR HD1 H 7.135 . 3 654 57 57 TYR HD2 H 7.135 . 3 655 57 57 TYR HE1 H 6.804 . 3 656 57 57 TYR HE2 H 6.798 . 3 657 57 57 TYR C C 175.806 . 1 658 57 57 TYR CA C 56.302 . 1 659 57 57 TYR CB C 38.121 . 1 660 57 57 TYR CD1 C 129.928 . 3 661 57 57 TYR CD2 C 129.928 . 3 662 57 57 TYR CE1 C 115.439 . 3 663 57 57 TYR CE2 C 115.439 . 3 664 57 57 TYR N N 127.356 . 1 665 58 58 SER H H 7.976 . 1 666 58 58 SER HA H 4.685 . 1 667 58 58 SER HB2 H 3.807 . 2 668 58 58 SER HB3 H 3.807 . 2 669 58 58 SER C C 175.189 . 1 670 58 58 SER CA C 55.102 . 1 671 58 58 SER CB C 64.166 . 1 672 58 58 SER N N 115.203 . 1 673 59 59 GLU H H 9.388 . 1 674 59 59 GLU HA H 4.000 . 1 675 59 59 GLU HB2 H 2.020 . 2 676 59 59 GLU HB3 H 2.031 . 2 677 59 59 GLU HG2 H 2.241 . 2 678 59 59 GLU HG3 H 2.246 . 2 679 59 59 GLU C C 177.793 . 1 680 59 59 GLU CA C 58.958 . 1 681 59 59 GLU CB C 29.811 . 1 682 59 59 GLU CG C 33.959 . 1 683 59 59 GLU N N 134.159 . 1 684 60 60 GLU H H 8.578 . 1 685 60 60 GLU HA H 4.038 . 1 686 60 60 GLU HB2 H 2.051 . 2 687 60 60 GLU HB3 H 2.051 . 2 688 60 60 GLU HG2 H 2.067 . 2 689 60 60 GLU HG3 H 2.070 . 2 690 60 60 GLU C C 179.803 . 1 691 60 60 GLU CA C 59.129 . 1 692 60 60 GLU CB C 29.04 . 1 693 60 60 GLU CG C 33.502 . 1 694 60 60 GLU N N 119.304 . 1 695 61 61 LEU H H 8.370 . 1 696 61 61 LEU HA H 4.385 . 1 697 61 61 LEU HB2 H 1.581 . 2 698 61 61 LEU HB3 H 1.591 . 2 699 61 61 LEU HG H 1.690 . 1 700 61 61 LEU HD1 H 1.060 . 2 701 61 61 LEU HD2 H 1.058 . 2 702 61 61 LEU C C 179.152 . 1 703 61 61 LEU CA C 56.473 . 1 704 61 61 LEU CB C 41.12 . 1 705 61 61 LEU CG C 25.080 . 1 706 61 61 LEU CD1 C 22.537 . 1 707 61 61 LEU CD2 C 22.500 . 1 708 61 61 LEU N N 121.12 . 1 709 62 62 HIS H H 9.035 . 1 710 62 62 HIS HA H 3.980 . 1 711 62 62 HIS HB2 H 3.260 . 2 712 62 62 HIS HB3 H 3.490 . 2 713 62 62 HIS HD2 H 7.545 . 1 714 62 62 HIS HE2 H 7.498 . 1 715 62 62 HIS C C 176.034 . 1 716 62 62 HIS CA C 59.643 . 1 717 62 62 HIS CB C 28.098 . 1 718 62 62 HIS CD2 C 118.940 . 1 719 62 62 HIS N N 123.105 . 1 720 62 62 HIS NE2 N 181.050 . 1 721 63 63 ASP H H 8.732 . 1 722 63 63 ASP HA H 4.239 . 1 723 63 63 ASP HB2 H 2.780 . 2 724 63 63 ASP HB3 H 2.780 . 2 725 63 63 ASP C C 178.073 . 1 726 63 63 ASP CA C 56.987 . 1 727 63 63 ASP CB C 39.92 . 1 728 63 63 ASP N N 121.308 . 1 729 64 64 PHE H H 8.003 . 1 730 64 64 PHE HA H 4.809 . 1 731 64 64 PHE HB2 H 3.090 . 2 732 64 64 PHE HB3 H 3.537 . 2 733 64 64 PHE HD1 H 7.200 . 3 734 64 64 PHE HD2 H 7.200 . 3 735 64 64 PHE HE1 H 7.214 . 3 736 64 64 PHE HE2 H 7.200 . 3 737 64 64 PHE HZ H 7.120 . 1 738 64 64 PHE C C 176.765 . 1 739 64 64 PHE CA C 58.272 . 1 740 64 64 PHE CB C 39.663 . 1 741 64 64 PHE CD1 C 128.830 . 3 742 64 64 PHE CD2 C 128.830 . 3 743 64 64 PHE CE1 C 128.000 . 3 744 64 64 PHE CE2 C 128.000 . 3 745 64 64 PHE CZ C 128.400 . 1 746 64 64 PHE N N 121.315 . 1 747 65 65 THR H H 8.439 . 1 748 65 65 THR HA H 3.770 . 1 749 65 65 THR HB H 3.430 . 1 750 65 65 THR HG2 H 1.137 . 1 751 65 65 THR C C 175.934 . 1 752 65 65 THR CA C 64.869 . 1 753 65 65 THR CB C 69.477 . 1 754 65 65 THR CG2 C 21.435 . 1 755 65 65 THR N N 107.73 . 1 756 66 66 GLN H H 8.095 . 1 757 66 66 GLN HA H 3.660 . 1 758 66 66 GLN HB2 H 1.970 . 2 759 66 66 GLN HB3 H 1.962 . 2 760 66 66 GLN HG2 H 2.200 . 2 761 66 66 GLN HG3 H 2.200 . 2 762 66 66 GLN C C 176.993 . 1 763 66 66 GLN CA C 58.101 . 1 764 66 66 GLN CB C 28.183 . 1 765 66 66 GLN CG C 30.500 . 1 766 66 66 GLN N N 123.05 . 1 767 67 67 GLU H H 7.422 . 1 768 67 67 GLU HA H 3.960 . 1 769 67 67 GLU HB2 H 2.251 . 2 770 67 67 GLU HB3 H 2.241 . 2 771 67 67 GLU HG2 H 2.499 . 2 772 67 67 GLU HG3 H 2.493 . 2 773 67 67 GLU C C 178.638 . 1 774 67 67 GLU CA C 58.701 . 1 775 67 67 GLU CB C 29.468 . 1 776 67 67 GLU CG C 33.398 . 1 777 67 67 GLU N N 119.661 . 1 778 68 68 ILE H H 7.253 . 1 779 68 68 ILE HA H 3.250 . 1 780 68 68 ILE HB H 1.331 . 1 781 68 68 ILE HG12 H 0.837 . 9 782 68 68 ILE HG13 H -0.703 . 9 783 68 68 ILE HG2 H 0.291 . 1 784 68 68 ILE HD1 H -0.387 . 1 785 68 68 ILE C C 177.053 . 1 786 68 68 ILE CA C 64.783 . 1 787 68 68 ILE CB C 38.293 . 1 788 68 68 ILE CG1 C 23.500 . 1 789 68 68 ILE CG2 C 14.145 . 1 790 68 68 ILE CD1 C 10.687 . 1 791 68 68 ILE N N 119.003 . 1 792 69 69 ILE H H 7.929 . 1 793 69 69 ILE HA H 3.240 . 1 794 69 69 ILE HB H 1.726 . 1 795 69 69 ILE HG12 H 0.569 . 9 796 69 69 ILE HG13 H 0.569 . 1 797 69 69 ILE HG2 H 0.760 . 1 798 69 69 ILE HD1 H 0.559 . 1 799 69 69 ILE C C 177.893 . 1 800 69 69 ILE CA C 65.126 . 1 801 69 69 ILE CB C 38.293 . 1 802 69 69 ILE CG1 C 27.790 . 1 803 69 69 ILE CG2 C 14.019 . 1 804 69 69 ILE CD1 C 10.313 . 1 805 69 69 ILE N N 118.89 . 1 806 70 70 GLU H H 8.101 . 1 807 70 70 GLU HA H 4.010 . 1 808 70 70 GLU HB2 H 2.036 . 2 809 70 70 GLU HB3 H 2.032 . 2 810 70 70 GLU HG2 H 2.446 . 2 811 70 70 GLU HG3 H 2.451 . 2 812 70 70 GLU C C 178.672 . 1 813 70 70 GLU CA C 58.187 . 1 814 70 70 GLU CB C 29.725 . 1 815 70 70 GLU CG C 33.959 . 1 816 70 70 GLU N N 118.304 . 1 817 71 71 GLU H H 7.997 . 1 818 71 71 GLU HA H 4.076 . 1 819 71 71 GLU HB2 H 2.131 . 2 820 71 71 GLU HB3 H 2.211 . 2 821 71 71 GLU HG2 H 2.446 . 2 822 71 71 GLU HG3 H 2.451 . 2 823 71 71 GLU C C 177.953 . 1 824 71 71 GLU CA C 58.015 . 1 825 71 71 GLU CB C 29.897 . 1 826 71 71 GLU CG C 33.959 . 1 827 71 71 GLU N N 119.911 . 1 828 72 72 LEU H H 8.050 . 1 829 72 72 LEU HA H 4.259 . 1 830 72 72 LEU HB2 H 1.420 . 2 831 72 72 LEU HB3 H 1.691 . 2 832 72 72 LEU HG H 0.700 . 1 833 72 72 LEU HD1 H 0.811 . 2 834 72 72 LEU HD2 H 0.805 . 2 835 72 72 LEU C C 176.857 . 1 836 72 72 LEU CA C 55.188 . 1 837 72 72 LEU CB C 42.748 . 1 838 72 72 LEU CG C 23.491 . 1 839 72 72 LEU CD1 C 20.687 . 2 840 72 72 LEU CD2 C 20.658 . 2 841 72 72 LEU N N 118.238 . 1 842 73 73 ASP H H 7.999 . 1 843 73 73 ASP HA H 4.489 . 1 844 73 73 ASP HB2 H 2.446 . 2 845 73 73 ASP HB3 H 2.900 . 2 846 73 73 ASP C C 175.273 . 1 847 73 73 ASP CA C 53.903 . 1 848 73 73 ASP CB C 40.606 . 1 849 73 73 ASP N N 120.15 . 1 850 74 74 ILE H H 7.799 . 1 851 74 74 ILE HA H 4.219 . 1 852 74 74 ILE HB H 1.871 . 1 853 74 74 ILE HG12 H 1.082 . 1 854 74 74 ILE HG13 H 1.395 . 9 855 74 74 ILE HG2 H 0.827 . 1 856 74 74 ILE HD1 H 0.827 . 1 857 74 74 ILE C C 175.87 . 1 858 74 74 ILE CA C 60.157 . 1 859 74 74 ILE CB C 39.064 . 1 860 74 74 ILE CG1 C 24.613 . 1 861 74 74 ILE CG2 C 11.061 . 1 862 74 74 ILE CD1 C 15.000 . 1 863 74 74 ILE N N 118.248 . 1 864 75 75 SER H H 8.350 . 1 865 75 75 SER HA H 4.722 . 1 866 75 75 SER HB2 H 3.802 . 2 867 75 75 SER HB3 H 3.800 . 2 868 75 75 SER C C 172.57 . 1 869 75 75 SER CA C 56.216 . 1 870 75 75 SER CB C 63.07 . 1 871 75 75 SER N N 121.74 . 1 872 76 76 PRO HA H 4.419 . 1 873 76 76 PRO HB2 H 1.943 . 2 874 76 76 PRO HB3 H 2.180 . 2 875 76 76 PRO HG2 H 1.988 . 2 876 76 76 PRO HG3 H 1.994 . 2 877 76 76 PRO HD2 H 3.710 . 2 878 76 76 PRO HD3 H 3.745 . 2 879 76 76 PRO C C 175.509 . 1 880 76 76 PRO CA C 62.556 . 1 881 76 76 PRO CB C 32.296 . 1 882 76 76 PRO CG C 24.426 . 1 883 76 76 PRO CD C 48.072 . 1 884 77 77 LEU H H 7.750 . 1 885 77 77 LEU HA H 4.072 . 1 886 77 77 LEU HB2 H 1.484 . 2 887 77 77 LEU HB3 H 1.484 . 2 888 77 77 LEU HG H 1.400 . 1 889 77 77 LEU HD1 H 0.831 . 2 890 77 77 LEU HD2 H 0.853 . 2 891 77 77 LEU C C 182.03 . 1 892 77 77 LEU CA C 56.216 . 1 893 77 77 LEU CB C 43.861 . 1 894 77 77 LEU CG C 24.800 . 1 895 77 77 LEU CD1 C 21.342 . 2 896 77 77 LEU CD2 C 21.342 . 2 897 77 77 LEU N N 127.72 . 1 stop_ save_