data_18692 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of HP1264 from Helicobacter pylori ; _BMRB_accession_number 18692 _BMRB_flat_file_name bmr18692.str _Entry_type original _Submission_date 2012-08-31 _Accession_date 2012-08-31 _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" 437 "13C chemical shifts" 301 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-07 update BMRB 'update entry citation' 2012-10-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of HP1264 reveals a novel fold for the flavin mononucleotide binding protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23406339 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Ki-Young . . 2 Kim Ji-Hun . . 3 Lee Kyu-Yeon . . 4 Lee Jiyun . . 5 Lee Ingyun . . 6 Bae Ye-Ji . . 7 Lee Bong-Jin . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 52 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1583 _Page_last 1593 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HP1264 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HP1264 $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 8939.449 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MKRFDLRPLKAGIFERLEEL IEKEMQPNEVAIFMFEVGDF SNIPKSAEFIQSKGHELLNS LRFNQADWTIVVRKKA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ARG 4 PHE 5 ASP 6 LEU 7 ARG 8 PRO 9 LEU 10 LYS 11 ALA 12 GLY 13 ILE 14 PHE 15 GLU 16 ARG 17 LEU 18 GLU 19 GLU 20 LEU 21 ILE 22 GLU 23 LYS 24 GLU 25 MET 26 GLN 27 PRO 28 ASN 29 GLU 30 VAL 31 ALA 32 ILE 33 PHE 34 MET 35 PHE 36 GLU 37 VAL 38 GLY 39 ASP 40 PHE 41 SER 42 ASN 43 ILE 44 PRO 45 LYS 46 SER 47 ALA 48 GLU 49 PHE 50 ILE 51 GLN 52 SER 53 LYS 54 GLY 55 HIS 56 GLU 57 LEU 58 LEU 59 ASN 60 SER 61 LEU 62 ARG 63 PHE 64 ASN 65 GLN 66 ALA 67 ASP 68 TRP 69 THR 70 ILE 71 VAL 72 VAL 73 ARG 74 LYS 75 LYS 76 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LXR "Solution Structure Of Hp1264 From Helicobacter Pylori" 100.00 76 100.00 100.00 1.40e-46 DBJ BAJ55796 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F16]" 100.00 76 100.00 100.00 1.40e-46 DBJ BAJ56230 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F30]" 100.00 76 100.00 100.00 1.40e-46 DBJ BAJ58776 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F32]" 100.00 76 100.00 100.00 1.40e-46 DBJ BAJ60297 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F57]" 100.00 76 100.00 100.00 1.40e-46 DBJ BAM97127 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori OK113]" 100.00 76 100.00 100.00 1.40e-46 EMBL CAX29950 "NADH-ubiquinone oxidoreductase, chain E [Helicobacter pylori B38]" 100.00 76 98.68 100.00 8.00e-46 EMBL CBI65773 "NADH dehydrogenase I chain E [Helicobacter pylori B8]" 100.00 76 100.00 100.00 1.40e-46 GB AAD06771 "putative NADH oxidoreductase I [Helicobacter pylori J99]" 100.00 76 98.68 98.68 1.62e-45 GB AAD08321 "predicted coding region HP1264 [Helicobacter pylori 26695]" 100.00 76 100.00 100.00 1.40e-46 GB ABF85275 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori HPAG1]" 100.00 76 100.00 100.00 1.40e-46 GB ACD48710 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori Shi470]" 100.00 76 100.00 100.00 1.40e-46 GB ACI27958 "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori G27]" 100.00 76 100.00 100.00 1.40e-46 REF NP_208056 "hypothetical protein HP1264 [Helicobacter pylori 26695]" 100.00 76 100.00 100.00 1.40e-46 REF WP_000819159 "hypothetical protein [Helicobacter pylori]" 100.00 76 98.68 98.68 2.25e-45 REF WP_000819160 "hypothetical protein [Helicobacter pylori]" 100.00 76 97.37 97.37 9.46e-45 REF WP_000819162 "hypothetical protein [Helicobacter pylori]" 100.00 76 97.37 97.37 8.58e-45 REF WP_000819163 "hypothetical protein [Helicobacter pylori]" 100.00 76 97.37 98.68 6.98e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Helicobacter pylori' 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' . Escherichia coli . pET21a 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 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 150 mM '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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.15 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '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 HP1264 _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 MET HA H 4.2000 . 1 2 1 1 MET HB2 H 2.0300 . 1 3 1 1 MET HB3 H 2.1670 . 1 4 1 1 MET HG2 H 2.5100 . 1 5 1 1 MET HG3 H 2.5100 . 1 6 1 1 MET CA C 55.0180 . 1 7 1 1 MET CB C 30.3290 . 1 8 1 1 MET CG C 33.7460 . 1 9 2 2 LYS H H 9.1670 . 1 10 2 2 LYS HA H 3.9540 . 1 11 2 2 LYS HB2 H 1.0710 . 1 12 2 2 LYS HB3 H 1.4370 . 1 13 2 2 LYS HG2 H 1.6000 . 1 14 2 2 LYS HG3 H 1.7500 . 1 15 2 2 LYS HD2 H 1.4900 . 1 16 2 2 LYS HD3 H 1.6800 . 1 17 2 2 LYS HE2 H 3.0300 . 1 18 2 2 LYS HE3 H 3.0300 . 1 19 2 2 LYS C C 175.8260 . 1 20 2 2 LYS CA C 57.4750 . 1 21 2 2 LYS CB C 34.0090 . 1 22 2 2 LYS CG C 29.7250 . 1 23 2 2 LYS CD C 25.7270 . 1 24 2 2 LYS CE C 42.2350 . 1 25 2 2 LYS N N 127.3990 . 1 26 3 3 ARG H H 7.7050 . 1 27 3 3 ARG HA H 4.7970 . 1 28 3 3 ARG HB2 H 1.3890 . 1 29 3 3 ARG HB3 H 1.4540 . 1 30 3 3 ARG HG2 H 1.1300 . 1 31 3 3 ARG HG3 H 1.2750 . 1 32 3 3 ARG HD2 H 3.0500 . 1 33 3 3 ARG HD3 H 3.0500 . 1 34 3 3 ARG C C 176.7190 . 1 35 3 3 ARG CA C 54.0820 . 1 36 3 3 ARG CB C 32.8160 . 1 37 3 3 ARG CG C 27.2670 . 1 38 3 3 ARG CD C 43.5880 . 1 39 3 3 ARG N N 121.2070 . 1 40 4 4 PHE H H 8.9130 . 1 41 4 4 PHE HA H 4.7290 . 1 42 4 4 PHE HB2 H 2.5190 . 1 43 4 4 PHE HB3 H 2.7380 . 1 44 4 4 PHE HD2 H 6.4230 . 1 45 4 4 PHE HE2 H 6.5346 . 3 46 4 4 PHE C C 176.1800 . 1 47 4 4 PHE CA C 56.5840 . 1 48 4 4 PHE CB C 41.7580 . 1 49 4 4 PHE N N 124.3800 . 1 50 5 5 ASP H H 9.1130 . 1 51 5 5 ASP HA H 4.3900 . 1 52 5 5 ASP HB2 H 2.8600 . 1 53 5 5 ASP HB3 H 3.0600 . 1 54 5 5 ASP C C 177.5240 . 1 55 5 5 ASP CA C 53.3440 . 1 56 5 5 ASP CB C 41.0430 . 1 57 5 5 ASP N N 123.3310 . 1 58 6 6 LEU H H 8.3050 . 1 59 6 6 LEU HA H 4.3040 . 1 60 6 6 LEU HB2 H 1.4870 . 1 61 6 6 LEU HB3 H 1.5550 . 1 62 6 6 LEU HG H 1.5610 . 1 63 6 6 LEU HD1 H 0.8680 . 1 64 6 6 LEU HD2 H 0.8680 . 1 65 6 6 LEU CA C 55.2600 . 1 66 6 6 LEU CB C 42.6800 . 1 67 6 6 LEU CG C 26.9300 . 1 68 6 6 LEU CD1 C 24.7800 . 1 69 6 6 LEU CD2 C 23.6600 . 1 70 6 6 LEU N N 122.5400 . 1 71 7 7 ARG H H 8.2930 . 1 72 7 7 ARG HA H 4.1560 . 1 73 7 7 ARG HB2 H 1.7700 . 2 74 7 7 ARG HB3 H 1.7800 . 2 75 7 7 ARG HG2 H 1.6400 . 2 76 7 7 ARG HG3 H 1.6600 . 2 77 7 7 ARG HD2 H 3.0024 . 2 78 7 7 ARG HD3 H 3.2234 . 2 79 7 7 ARG C C 177.6640 . 1 80 7 7 ARG CA C 56.4631 . 1 81 7 7 ARG CB C 29.3150 . 1 82 7 7 ARG CG C 28.6600 . 1 83 7 7 ARG CD C 45.1130 . 1 84 7 7 ARG N N 121.7150 . 1 85 8 8 PRO HA H 4.3650 . 1 86 8 8 PRO HB2 H 2.4380 . 1 87 8 8 PRO HB3 H 1.7010 . 1 88 8 8 PRO HG2 H 1.9400 . 1 89 8 8 PRO HG3 H 2.0400 . 1 90 8 8 PRO HD2 H 3.5564 . 2 91 8 8 PRO C C 178.8860 . 1 92 8 8 PRO CA C 65.1930 . 1 93 8 8 PRO CB C 31.5660 . 1 94 8 8 PRO CG C 28.1650 . 1 95 8 8 PRO CD C 51.0610 . 1 96 9 9 LEU H H 7.3100 . 1 97 9 9 LEU HA H 4.1750 . 1 98 9 9 LEU HB2 H 1.7540 . 1 99 9 9 LEU HB3 H 1.6020 . 1 100 9 9 LEU HG H 1.4370 . 1 101 9 9 LEU HD1 H 1.0200 . 1 102 9 9 LEU HD2 H 0.9000 . 1 103 9 9 LEU C C 178.8970 . 1 104 9 9 LEU CA C 54.8780 . 1 105 9 9 LEU CB C 41.2220 . 1 106 9 9 LEU CG C 26.9210 . 1 107 9 9 LEU CD1 C 23.1560 . 1 108 9 9 LEU CD2 C 23.1560 . 1 109 9 9 LEU N N 114.1070 . 1 110 10 10 LYS H H 8.1320 . 1 111 10 10 LYS HA H 3.8230 . 1 112 10 10 LYS HB2 H 1.6500 . 1 113 10 10 LYS HB3 H 1.8000 . 1 114 10 10 LYS HG2 H 0.3900 . 1 115 10 10 LYS HG3 H 0.6000 . 1 116 10 10 LYS HD2 H 1.7891 . 2 117 10 10 LYS C C 178.8050 . 1 118 10 10 LYS CA C 57.6930 . 1 119 10 10 LYS CB C 34.1245 . 1 120 10 10 LYS CG C 23.8971 . 1 121 10 10 LYS CD C 27.1145 . 1 122 10 10 LYS N N 116.5630 . 1 123 11 11 ALA H H 8.2390 . 1 124 11 11 ALA HA H 4.3990 . 1 125 11 11 ALA HB H 1.4810 . 1 126 11 11 ALA C C 178.8770 . 1 127 11 11 ALA CA C 53.2920 . 1 128 11 11 ALA CB C 19.3100 . 1 129 11 11 ALA N N 124.1340 . 1 130 12 12 GLY H H 8.1860 . 1 131 12 12 GLY HA2 H 3.5820 . 1 132 12 12 GLY HA3 H 4.5450 . 1 133 12 12 GLY C C 178.6140 . 1 134 12 12 GLY CA C 47.6400 . 1 135 12 12 GLY N N 108.6610 . 1 136 13 13 ILE H H 8.3090 . 1 137 13 13 ILE HA H 4.1500 . 1 138 13 13 ILE HB H 2.3000 . 1 139 13 13 ILE HG12 H 1.9560 . 1 140 13 13 ILE HG13 H 2.0170 . 1 141 13 13 ILE HG2 H 0.6870 . 1 142 13 13 ILE HD1 H 0.4420 . 1 143 13 13 ILE C C 177.2345 . 1 144 13 13 ILE CA C 60.5000 . 1 145 13 13 ILE CB C 36.9700 . 1 146 13 13 ILE CG1 C 27.9800 . 1 147 13 13 ILE CD1 C 12.6880 . 1 148 13 13 ILE N N 123.4648 . 1 149 14 14 PHE H H 7.8010 . 1 150 14 14 PHE HA H 3.3540 . 1 151 14 14 PHE HB2 H 2.3650 . 1 152 14 14 PHE HB3 H 2.6520 . 1 153 14 14 PHE HD1 H 6.5270 . 1 154 14 14 PHE HE1 H 7.1250 . 3 155 14 14 PHE C C 179.3010 . 1 156 14 14 PHE CA C 63.8830 . 1 157 14 14 PHE CB C 37.6080 . 1 158 14 14 PHE N N 119.5600 . 1 159 15 15 GLU H H 8.3310 . 1 160 15 15 GLU HA H 4.2600 . 1 161 15 15 GLU HB2 H 1.9000 . 1 162 15 15 GLU HB3 H 2.0690 . 1 163 15 15 GLU HG2 H 2.1890 . 2 164 15 15 GLU HG3 H 2.3640 . 2 165 15 15 GLU C C 181.4280 . 1 166 15 15 GLU CA C 60.5790 . 1 167 15 15 GLU CB C 28.1580 . 1 168 15 15 GLU CG C 35.1100 . 1 169 15 15 GLU N N 121.5670 . 1 170 16 16 ARG H H 8.2400 . 1 171 16 16 ARG HA H 4.1040 . 1 172 16 16 ARG HB2 H 1.6900 . 1 173 16 16 ARG HB3 H 1.7770 . 1 174 16 16 ARG HG2 H 1.5400 . 1 175 16 16 ARG HG3 H 1.5400 . 1 176 16 16 ARG HD2 H 3.0800 . 1 177 16 16 ARG HD3 H 3.4500 . 1 178 16 16 ARG HE H 7.2610 . 1 179 16 16 ARG C C 179.4180 . 1 180 16 16 ARG CA C 56.8770 . 1 181 16 16 ARG CB C 29.3970 . 1 182 16 16 ARG CG C 26.2500 . 1 183 16 16 ARG CD C 42.3690 . 1 184 16 16 ARG N N 121.6020 . 1 185 17 17 LEU H H 8.1340 . 1 186 17 17 LEU HA H 3.6190 . 1 187 17 17 LEU HB2 H 1.1450 . 1 188 17 17 LEU HB3 H 1.4620 . 1 189 17 17 LEU HG H 1.4300 . 1 190 17 17 LEU HD1 H 0.3100 . 1 191 17 17 LEU HD2 H 0.0100 . 1 192 17 17 LEU C C 179.1360 . 1 193 17 17 LEU CA C 59.1040 . 1 194 17 17 LEU CB C 42.7700 . 1 195 17 17 LEU CG C 25.4400 . 1 196 17 17 LEU CD1 C 18.0000 . 1 197 17 17 LEU CD2 C 14.8000 . 1 198 17 17 LEU N N 119.7690 . 1 199 18 18 GLU H H 7.6740 . 1 200 18 18 GLU HA H 3.8890 . 1 201 18 18 GLU HB2 H 2.2800 . 1 202 18 18 GLU HB3 H 2.2700 . 1 203 18 18 GLU HG2 H 2.4000 . 1 204 18 18 GLU HG3 H 2.4000 . 1 205 18 18 GLU C C 179.6430 . 1 206 18 18 GLU CA C 59.9290 . 1 207 18 18 GLU CB C 29.1700 . 1 208 18 18 GLU CG C 35.5820 . 1 209 18 18 GLU N N 115.5470 . 1 210 19 19 GLU H H 7.7820 . 1 211 19 19 GLU HA H 4.0470 . 1 212 19 19 GLU HB2 H 2.1600 . 1 213 19 19 GLU HB3 H 2.1320 . 1 214 19 19 GLU HG2 H 2.3800 . 1 215 19 19 GLU HG3 H 2.3800 . 1 216 19 19 GLU C C 180.3740 . 1 217 19 19 GLU CA C 59.4410 . 1 218 19 19 GLU CB C 30.2690 . 1 219 19 19 GLU CG C 36.2010 . 1 220 19 19 GLU N N 119.2110 . 1 221 20 20 LEU H H 8.5070 . 1 222 20 20 LEU HA H 3.7610 . 1 223 20 20 LEU HB2 H 1.6200 . 1 224 20 20 LEU HB3 H 1.7800 . 1 225 20 20 LEU HG H 1.5310 . 1 226 20 20 LEU HD1 H 0.5350 . 1 227 20 20 LEU HD2 H 0.3900 . 1 228 20 20 LEU C C 181.6660 . 1 229 20 20 LEU CA C 57.8620 . 1 230 20 20 LEU CB C 42.1110 . 1 231 20 20 LEU CG C 26.6510 . 1 232 20 20 LEU CD1 C 22.0010 . 1 233 20 20 LEU CD2 C 22.0010 . 1 234 20 20 LEU N N 119.2640 . 1 235 21 21 ILE H H 7.7500 . 1 236 21 21 ILE HA H 3.6970 . 1 237 21 21 ILE HB H 1.6170 . 1 238 21 21 ILE HG12 H 1.8300 . 1 239 21 21 ILE HG13 H 1.8300 . 1 240 21 21 ILE HG2 H 0.8730 . 1 241 21 21 ILE HD1 H 0.4140 . 1 242 21 21 ILE C C 181.6960 . 1 243 21 21 ILE CA C 65.1740 . 1 244 21 21 ILE CB C 38.4200 . 1 245 21 21 ILE CG1 C 27.6600 . 1 246 21 21 ILE CD1 C 13.9900 . 1 247 21 21 ILE N N 117.8790 . 1 248 22 22 GLU H H 8.2030 . 1 249 22 22 GLU HA H 3.8910 . 1 250 22 22 GLU HB2 H 2.1740 . 1 251 22 22 GLU HB3 H 2.1740 . 1 252 22 22 GLU HG2 H 2.4000 . 1 253 22 22 GLU HG3 H 2.4000 . 1 254 22 22 GLU C C 180.4240 . 1 255 22 22 GLU CA C 59.8640 . 1 256 22 22 GLU CB C 30.0470 . 1 257 22 22 GLU CG C 36.0530 . 1 258 22 22 GLU N N 116.6560 . 1 259 23 23 LYS H H 8.7130 . 1 260 23 23 LYS HA H 4.3920 . 1 261 23 23 LYS HB2 H 1.9600 . 1 262 23 23 LYS HB3 H 1.9290 . 1 263 23 23 LYS HG2 H 1.4900 . 1 264 23 23 LYS HG3 H 1.4900 . 1 265 23 23 LYS HD2 H 1.6900 . 1 266 23 23 LYS HD3 H 1.6900 . 1 267 23 23 LYS HE2 H 3.0300 . 1 268 23 23 LYS HE3 H 3.0300 . 1 269 23 23 LYS C C 180.6390 . 1 270 23 23 LYS CA C 57.9520 . 1 271 23 23 LYS CB C 34.6550 . 1 272 23 23 LYS CG C 25.8610 . 1 273 23 23 LYS CD C 29.1100 . 1 274 23 23 LYS CE C 42.2170 . 1 275 23 23 LYS N N 113.4260 . 1 276 24 24 GLU H H 8.2250 . 1 277 24 24 GLU HA H 4.7300 . 1 278 24 24 GLU HB2 H 1.9760 . 1 279 24 24 GLU HB3 H 2.6330 . 1 280 24 24 GLU HG2 H 2.3300 . 2 281 24 24 GLU HG3 H 2.1200 . 2 282 24 24 GLU C C 177.4070 . 1 283 24 24 GLU CA C 56.2410 . 1 284 24 24 GLU CB C 30.6640 . 1 285 24 24 GLU CG C 36.3200 . 1 286 24 24 GLU N N 115.9430 . 1 287 25 25 MET H H 6.8600 . 1 288 25 25 MET HA H 4.8320 . 1 289 25 25 MET HB2 H 2.0670 . 1 290 25 25 MET HB3 H 2.3540 . 1 291 25 25 MET HG2 H 2.4300 . 2 292 25 25 MET HG3 H 2.4300 . 2 293 25 25 MET C C 177.2860 . 1 294 25 25 MET CA C 55.0220 . 1 295 25 25 MET CB C 37.4160 . 1 296 25 25 MET CG C 32.6310 . 1 297 25 25 MET CE C 17.2400 . 1 298 25 25 MET N N 115.0750 . 1 299 26 26 GLN H H 9.2640 . 1 300 26 26 GLN HA H 4.3450 . 1 301 26 26 GLN HB2 H 1.8720 . 2 302 26 26 GLN HB3 H 1.9900 . 2 303 26 26 GLN HG2 H 2.3230 . 2 304 26 26 GLN HG3 H 2.3230 . 2 305 26 26 GLN C C 175.7180 . 1 306 26 26 GLN CA C 52.9090 . 1 307 26 26 GLN CB C 28.4170 . 1 308 26 26 GLN CG C 33.1450 . 1 309 26 26 GLN N N 122.8010 . 1 310 27 27 PRO HA H 3.9150 . 1 311 27 27 PRO HB2 H 2.4460 . 1 312 27 27 PRO HB3 H 1.9190 . 1 313 27 27 PRO HG2 H 1.7100 . 1 314 27 27 PRO HG3 H 2.2600 . 1 315 27 27 PRO HD2 H 3.6700 . 1 316 27 27 PRO HD3 H 3.6700 . 1 317 27 27 PRO C C 177.4500 . 1 318 27 27 PRO CA C 64.9080 . 1 319 27 27 PRO CB C 31.2650 . 1 320 27 27 PRO CG C 28.4740 . 1 321 27 27 PRO CD C 49.7860 . 1 322 28 28 ASN H H 8.4580 . 1 323 28 28 ASN HA H 4.4750 . 1 324 28 28 ASN HB2 H 3.0930 . 2 325 28 28 ASN HB3 H 3.0930 . 1 326 28 28 ASN C C 179.4210 . 1 327 28 28 ASN CA C 55.3680 . 1 328 28 28 ASN CB C 38.9670 . 1 329 28 28 ASN N N 118.9950 . 1 330 29 29 GLU H H 8.2940 . 1 331 29 29 GLU HA H 4.2910 . 1 332 29 29 GLU HB2 H 2.0900 . 1 333 29 29 GLU HB3 H 2.2700 . 1 334 29 29 GLU HG2 H 2.5200 . 1 335 29 29 GLU HG3 H 2.5200 . 1 336 29 29 GLU C C 175.8830 . 1 337 29 29 GLU CA C 56.8760 . 1 338 29 29 GLU CB C 31.8630 . 1 339 29 29 GLU CG C 37.0190 . 1 340 29 29 GLU N N 123.1280 . 1 341 30 30 VAL H H 8.0670 . 1 342 30 30 VAL HA H 5.2930 . 1 343 30 30 VAL HB H 1.8900 . 1 344 30 30 VAL HG1 H 0.9040 . 1 345 30 30 VAL HG2 H 0.9040 . 1 346 30 30 VAL C C 177.2010 . 1 347 30 30 VAL CA C 60.5620 . 1 348 30 30 VAL CB C 33.4190 . 1 349 30 30 VAL CG1 C 22.3200 . 1 350 30 30 VAL CG2 C 22.3200 . 1 351 30 30 VAL N N 123.6350 . 1 352 31 31 ALA H H 9.0860 . 1 353 31 31 ALA HA H 4.9190 . 1 354 31 31 ALA HB H 1.3060 . 1 355 31 31 ALA C C 176.1790 . 1 356 31 31 ALA CA C 51.4700 . 1 357 31 31 ALA CB C 24.7720 . 1 358 31 31 ALA N N 127.3910 . 1 359 32 32 ILE H H 8.1750 . 1 360 32 32 ILE HA H 5.1020 . 1 361 32 32 ILE HB H 1.5700 . 1 362 32 32 ILE HG12 H 0.9440 . 1 363 32 32 ILE HG13 H 0.9440 . 1 364 32 32 ILE HG2 H 0.7850 . 1 365 32 32 ILE C C 176.3000 . 1 366 32 32 ILE CA C 59.6040 . 1 367 32 32 ILE CB C 41.4160 . 1 368 32 32 ILE CG1 C 28.8410 . 1 369 32 32 ILE CG2 C 17.3520 . 1 370 32 32 ILE CD1 C 14.1190 . 1 371 32 32 ILE N N 118.4680 . 1 372 33 33 PHE H H 9.2770 . 1 373 33 33 PHE HA H 5.4070 . 1 374 33 33 PHE HB2 H 2.7400 . 1 375 33 33 PHE HB3 H 3.1200 . 1 376 33 33 PHE HD1 H 7.0750 . 3 377 33 33 PHE HD2 H 7.0750 . 1 378 33 33 PHE HE1 H 7.1245 . 3 379 33 33 PHE HE2 H 7.1245 . 3 380 33 33 PHE C C 176.6950 . 1 381 33 33 PHE CA C 56.6270 . 1 382 33 33 PHE CB C 41.5830 . 1 383 33 33 PHE N N 123.9260 . 1 384 34 34 MET H H 8.6060 . 1 385 34 34 MET HA H 5.5170 . 1 386 34 34 MET HB2 H 1.9300 . 1 387 34 34 MET HB3 H 1.8960 . 1 388 34 34 MET HG2 H 2.4560 . 2 389 34 34 MET HG3 H 2.4315 . 2 390 34 34 MET C C 177.1230 . 1 391 34 34 MET CA C 53.5150 . 1 392 34 34 MET CB C 36.4470 . 1 393 34 34 MET CG C 30.9610 . 1 394 34 34 MET N N 120.5190 . 1 395 35 35 PHE H H 8.8320 . 1 396 35 35 PHE HA H 4.6420 . 1 397 35 35 PHE HB2 H 2.9430 . 1 398 35 35 PHE HB3 H 3.5380 . 1 399 35 35 PHE HD1 H 7.0300 . 3 400 35 35 PHE HD2 H 7.0300 . 3 401 35 35 PHE HE1 H 7.1200 . 3 402 35 35 PHE HE2 H 7.1200 . 3 403 35 35 PHE C C 175.1880 . 1 404 35 35 PHE CA C 56.1000 . 1 405 35 35 PHE CB C 41.4500 . 1 406 35 35 PHE N N 118.1190 . 1 407 36 36 GLU H H 9.4210 . 1 408 36 36 GLU HA H 4.8900 . 1 409 36 36 GLU HB2 H 2.0900 . 1 410 36 36 GLU HB3 H 2.0900 . 1 411 36 36 GLU HG2 H 2.4400 . 2 412 36 36 GLU HG3 H 2.2800 . 2 413 36 36 GLU C C 179.2580 . 1 414 36 36 GLU CA C 57.1840 . 1 415 36 36 GLU CB C 30.8440 . 1 416 36 36 GLU CG C 37.1260 . 1 417 36 36 GLU N N 120.5980 . 1 418 37 37 VAL H H 9.0050 . 1 419 37 37 VAL HA H 4.2300 . 1 420 37 37 VAL HG1 H 0.9130 . 2 421 37 37 VAL HG2 H 0.8800 . 2 422 37 37 VAL C C 176.5500 . 1 423 37 37 VAL CA C 65.9230 . 1 424 37 37 VAL CG1 C 21.1300 . 2 425 37 37 VAL CG2 C 20.4400 . 2 426 37 37 VAL N N 122.8170 . 1 427 38 38 GLY H H 8.4400 . 1 428 38 38 GLY HA2 H 3.8900 . 2 429 38 38 GLY C C 173.8600 . 1 430 38 38 GLY CA C 44.5600 . 1 431 38 38 GLY N N 109.6600 . 1 432 39 39 ASP H H 8.3300 . 1 433 39 39 ASP HA H 4.9100 . 1 434 39 39 ASP HB2 H 2.3500 . 1 435 39 39 ASP HB3 H 2.8700 . 1 436 39 39 ASP C C 177.5500 . 1 437 39 39 ASP CA C 54.4200 . 1 438 39 39 ASP CB C 37.1500 . 1 439 39 39 ASP N N 119.4400 . 1 440 40 40 PHE H H 7.9490 . 1 441 40 40 PHE HA H 4.6200 . 1 442 40 40 PHE HB3 H 3.1000 . 1 443 40 40 PHE HD2 H 6.8900 . 3 444 40 40 PHE HE2 H 7.1100 . 3 445 40 40 PHE CA C 56.2500 . 1 446 40 40 PHE CB C 36.1500 . 1 447 40 40 PHE N N 123.3610 . 1 448 41 41 SER H H 8.5190 . 1 449 41 41 SER HA H 4.4920 . 1 450 41 41 SER HB2 H 3.7800 . 2 451 41 41 SER HB3 H 3.7800 . 2 452 41 41 SER C C 174.5540 . 1 453 41 41 SER CA C 59.6600 . 1 454 41 41 SER CB C 63.2200 . 1 455 41 41 SER N N 121.4830 . 1 456 42 42 ASN H H 8.3300 . 1 457 42 42 ASN HA H 4.9100 . 1 458 42 42 ASN HB2 H 2.5000 . 1 459 42 42 ASN HB3 H 3.1600 . 1 460 42 42 ASN CA C 53.4900 . 1 461 42 42 ASN CB C 38.1200 . 1 462 42 42 ASN N N 118.9200 . 1 463 43 43 ILE H H 8.2930 . 1 464 43 43 ILE HA H 4.1800 . 1 465 43 43 ILE HB H 1.8900 . 1 466 43 43 ILE HG12 H 1.3300 . 2 467 43 43 ILE HD1 H 0.8760 . 1 468 43 43 ILE CA C 60.1100 . 1 469 43 43 ILE CB C 38.4400 . 1 470 43 43 ILE CG1 C 28.4400 . 1 471 43 43 ILE CD1 C 13.4613 . 1 472 43 43 ILE N N 121.5400 . 1 473 44 44 PRO HA H 4.4610 . 1 474 44 44 PRO HB2 H 2.3330 . 1 475 44 44 PRO HB3 H 1.9620 . 1 476 44 44 PRO HG2 H 1.9100 . 2 477 44 44 PRO HD2 H 3.5400 . 2 478 44 44 PRO C C 176.4650 . 1 479 44 44 PRO CA C 65.3580 . 1 480 44 44 PRO CB C 30.4410 . 1 481 44 44 PRO CG C 27.8690 . 1 482 44 44 PRO CD C 49.2240 . 1 483 45 45 LYS H H 7.2700 . 1 484 45 45 LYS HA H 4.1280 . 1 485 45 45 LYS HB2 H 1.7500 . 1 486 45 45 LYS HB3 H 1.9200 . 1 487 45 45 LYS HG2 H 1.2300 . 1 488 45 45 LYS HG3 H 1.2300 . 1 489 45 45 LYS HD2 H 1.5800 . 1 490 45 45 LYS HD3 H 1.5800 . 1 491 45 45 LYS HE2 H 2.7000 . 1 492 45 45 LYS HE3 H 2.7000 . 1 493 45 45 LYS C C 181.4670 . 1 494 45 45 LYS CA C 59.7120 . 1 495 45 45 LYS CB C 33.2810 . 1 496 45 45 LYS CG C 25.5420 . 1 497 45 45 LYS CD C 28.9870 . 1 498 45 45 LYS CE C 41.7480 . 1 499 45 45 LYS N N 116.2360 . 1 500 46 46 SER H H 8.2930 . 1 501 46 46 SER HA H 4.0800 . 1 502 46 46 SER HB2 H 3.7300 . 1 503 46 46 SER C C 177.4320 . 1 504 46 46 SER CA C 63.2020 . 1 505 46 46 SER CB C 62.1180 . 1 506 46 46 SER N N 116.0590 . 1 507 47 47 ALA H H 6.9900 . 1 508 47 47 ALA HA H 4.1280 . 1 509 47 47 ALA HB H 1.5900 . 1 510 47 47 ALA C C 181.5280 . 1 511 47 47 ALA CA C 55.7040 . 1 512 47 47 ALA CB C 18.3260 . 1 513 47 47 ALA N N 126.5790 . 1 514 48 48 GLU H H 7.8630 . 1 515 48 48 GLU HA H 4.0620 . 1 516 48 48 GLU HB2 H 2.0900 . 1 517 48 48 GLU HB3 H 2.0920 . 1 518 48 48 GLU HG2 H 2.2580 . 1 519 48 48 GLU HG3 H 2.3770 . 1 520 48 48 GLU C C 180.8220 . 1 521 48 48 GLU CA C 59.1000 . 1 522 48 48 GLU CB C 29.7700 . 1 523 48 48 GLU CG C 33.7410 . 1 524 48 48 GLU N N 117.9800 . 1 525 49 49 PHE H H 8.3410 . 1 526 49 49 PHE HA H 4.1170 . 1 527 49 49 PHE HB2 H 3.1200 . 1 528 49 49 PHE HB3 H 3.0890 . 1 529 49 49 PHE HD2 H 7.1250 . 3 530 49 49 PHE HE2 H 7.2380 . 3 531 49 49 PHE C C 179.5800 . 1 532 49 49 PHE CA C 57.8130 . 1 533 49 49 PHE CB C 41.6950 . 1 534 49 49 PHE N N 122.1790 . 1 535 50 50 ILE H H 8.3220 . 1 536 50 50 ILE HA H 3.5330 . 1 537 50 50 ILE HB H 1.6200 . 1 538 50 50 ILE HG12 H 1.3250 . 2 539 50 50 ILE HG13 H 1.3250 . 2 540 50 50 ILE HG2 H 0.8600 . 1 541 50 50 ILE HD1 H 0.6842 . 1 542 50 50 ILE C C 179.6980 . 1 543 50 50 ILE CA C 62.8840 . 1 544 50 50 ILE CB C 36.6690 . 1 545 50 50 ILE CG1 C 27.6820 . 1 546 50 50 ILE CG2 C 18.4470 . 1 547 50 50 ILE CD1 C 11.8690 . 1 548 50 50 ILE N N 117.4690 . 1 549 51 51 GLN H H 7.8870 . 1 550 51 51 GLN HA H 4.2610 . 1 551 51 51 GLN HB2 H 2.1800 . 1 552 51 51 GLN HB3 H 2.1540 . 1 553 51 51 GLN HG2 H 2.4200 . 1 554 51 51 GLN HG3 H 2.5800 . 1 555 51 51 GLN C C 182.6270 . 1 556 51 51 GLN CA C 58.8620 . 1 557 51 51 GLN CB C 28.4510 . 1 558 51 51 GLN CG C 34.5160 . 1 559 51 51 GLN N N 117.1900 . 1 560 52 52 SER H H 8.5560 . 1 561 52 52 SER HA H 4.1370 . 1 562 52 52 SER HB2 H 4.0000 . 1 563 52 52 SER CA C 61.4010 . 1 564 52 52 SER CB C 62.6150 . 1 565 52 52 SER N N 117.6700 . 1 566 53 53 LYS H H 7.0640 . 1 567 53 53 LYS HA H 4.1700 . 1 568 53 53 LYS HB2 H 1.5800 . 1 569 53 53 LYS HB3 H 1.8500 . 1 570 53 53 LYS HG2 H 0.9000 . 1 571 53 53 LYS HG3 H 0.9900 . 1 572 53 53 LYS HD2 H 1.2900 . 1 573 53 53 LYS HD3 H 1.3700 . 1 574 53 53 LYS HE2 H 2.4200 . 1 575 53 53 LYS HE3 H 2.6300 . 1 576 53 53 LYS C C 177.9110 . 1 577 53 53 LYS CA C 54.6620 . 1 578 53 53 LYS CB C 32.6520 . 1 579 53 53 LYS CG C 23.7550 . 1 580 53 53 LYS CD C 27.4930 . 1 581 53 53 LYS CE C 42.2900 . 1 582 53 53 LYS N N 119.0080 . 1 583 54 54 GLY H H 7.5480 . 1 584 54 54 GLY HA2 H 3.6600 . 1 585 54 54 GLY HA3 H 3.9200 . 1 586 54 54 GLY C C 175.5280 . 1 587 54 54 GLY CA C 45.1180 . 1 588 54 54 GLY N N 105.1880 . 1 589 55 55 HIS H H 6.9980 . 1 590 55 55 HIS HA H 4.9470 . 1 591 55 55 HIS HB2 H 2.6590 . 1 592 55 55 HIS HB3 H 3.4250 . 1 593 55 55 HIS HD1 H 8.9910 . 1 594 55 55 HIS HE1 H 8.1150 . 1 595 55 55 HIS C C 175.2400 . 1 596 55 55 HIS CA C 54.8470 . 1 597 55 55 HIS CB C 31.3150 . 1 598 55 55 HIS N N 118.2940 . 1 599 56 56 GLU H H 8.5090 . 1 600 56 56 GLU HA H 4.6660 . 1 601 56 56 GLU HB2 H 2.0500 . 1 602 56 56 GLU HB3 H 2.0190 . 1 603 56 56 GLU HG2 H 2.3010 . 1 604 56 56 GLU HG3 H 2.3010 . 1 605 56 56 GLU C C 176.7660 . 1 606 56 56 GLU CA C 55.1620 . 1 607 56 56 GLU CB C 33.1100 . 1 608 56 56 GLU CG C 36.3890 . 1 609 56 56 GLU N N 118.2050 . 1 610 57 57 LEU H H 8.9780 . 1 611 57 57 LEU HA H 4.7860 . 1 612 57 57 LEU HB2 H 1.3100 . 1 613 57 57 LEU HB3 H 1.2850 . 1 614 57 57 LEU HG H 1.5170 . 1 615 57 57 LEU HD1 H 0.8720 . 2 616 57 57 LEU C C 177.8540 . 1 617 57 57 LEU CA C 53.7800 . 1 618 57 57 LEU CB C 42.6760 . 1 619 57 57 LEU CG C 25.4650 . 1 620 57 57 LEU CD1 C 25.3300 . 2 621 57 57 LEU N N 127.7690 . 1 622 58 58 LEU H H 9.1280 . 1 623 58 58 LEU HA H 4.4020 . 1 624 58 58 LEU HB2 H 1.5300 . 1 625 58 58 LEU HB3 H 1.5070 . 1 626 58 58 LEU HD1 H 0.8620 . 1 627 58 58 LEU HD2 H 0.8620 . 1 628 58 58 LEU C C 179.4690 . 1 629 58 58 LEU CA C 56.5340 . 1 630 58 58 LEU CB C 42.3710 . 1 631 58 58 LEU N N 128.3640 . 1 632 59 59 ASN H H 7.5740 . 1 633 59 59 ASN HA H 4.9180 . 1 634 59 59 ASN HB2 H 2.4760 . 1 635 59 59 ASN HB3 H 2.6480 . 1 636 59 59 ASN C C 175.5600 . 1 637 59 59 ASN CA C 52.3890 . 1 638 59 59 ASN CB C 41.8870 . 1 639 59 59 ASN N N 113.6220 . 1 640 60 60 SER H H 8.4360 . 1 641 60 60 SER HA H 4.0450 . 1 642 60 60 SER HB2 H 3.5620 . 2 643 60 60 SER CA C 56.9250 . 1 644 60 60 SER CB C 63.6490 . 1 645 60 60 SER N N 118.1340 . 1 646 61 61 LEU H H 8.7250 . 1 647 61 61 LEU HA H 4.2190 . 1 648 61 61 LEU HB2 H 1.3770 . 1 649 61 61 LEU HB3 H 1.4950 . 1 650 61 61 LEU HG H 1.6520 . 1 651 61 61 LEU HD1 H 0.7270 . 1 652 61 61 LEU HD2 H 0.7270 . 1 653 61 61 LEU CA C 55.1060 . 1 654 61 61 LEU CB C 44.5770 . 1 655 61 61 LEU CG C 26.2230 . 1 656 61 61 LEU N N 128.2660 . 1 657 62 62 ARG H H 7.3030 . 1 658 62 62 ARG HA H 4.3120 . 1 659 62 62 ARG HB2 H 1.7920 . 2 660 62 62 ARG HB3 H 1.7630 . 2 661 62 62 ARG HG2 H 1.3860 . 2 662 62 62 ARG HG3 H 1.3860 . 2 663 62 62 ARG C C 176.5600 . 1 664 62 62 ARG CA C 57.2900 . 1 665 62 62 ARG CB C 30.8280 . 1 666 62 62 ARG CG C 28.4400 . 1 667 62 62 ARG N N 122.3830 . 1 668 63 63 PHE H H 8.3210 . 1 669 63 63 PHE HA H 4.6130 . 1 670 63 63 PHE HB2 H 2.4830 . 1 671 63 63 PHE HB3 H 2.9100 . 1 672 63 63 PHE HD2 H 6.8910 . 3 673 63 63 PHE HE2 H 7.1800 . 3 674 63 63 PHE CA C 61.3770 . 1 675 63 63 PHE CB C 39.9080 . 1 676 63 63 PHE N N 120.5600 . 1 677 64 64 ASN H H 8.1010 . 1 678 64 64 ASN HA H 4.3770 . 1 679 64 64 ASN HB2 H 2.8800 . 1 680 64 64 ASN HB3 H 2.8750 . 1 681 64 64 ASN C C 176.6420 . 1 682 64 64 ASN CA C 53.4650 . 1 683 64 64 ASN CB C 37.4500 . 1 684 64 64 ASN N N 117.6160 . 1 685 65 65 GLN H H 8.3300 . 1 686 65 65 GLN HA H 4.2750 . 1 687 65 65 GLN HB2 H 2.1910 . 1 688 65 65 GLN HB3 H 2.1910 . 1 689 65 65 GLN HG2 H 2.4150 . 1 690 65 65 GLN HG3 H 2.5760 . 1 691 65 65 GLN C C 178.4110 . 1 692 65 65 GLN CA C 59.1270 . 1 693 65 65 GLN CB C 28.6500 . 1 694 65 65 GLN CG C 34.4980 . 1 695 65 65 GLN N N 115.5480 . 1 696 66 66 ALA H H 8.3460 . 1 697 66 66 ALA HA H 4.6520 . 1 698 66 66 ALA HB H 1.4430 . 1 699 66 66 ALA C C 178.8930 . 1 700 66 66 ALA CA C 52.7510 . 1 701 66 66 ALA CB C 21.7050 . 1 702 66 66 ALA N N 120.8020 . 1 703 67 67 ASP H H 8.1170 . 1 704 67 67 ASP HA H 4.6120 . 1 705 67 67 ASP HB2 H 2.6830 . 2 706 67 67 ASP HB3 H 2.6830 . 2 707 67 67 ASP C C 175.6390 . 1 708 67 67 ASP CA C 54.7260 . 1 709 67 67 ASP CB C 45.1520 . 1 710 67 67 ASP N N 118.9090 . 1 711 68 68 TRP H H 8.3100 . 1 712 68 68 TRP HA H 4.4770 . 1 713 68 68 TRP HB3 H 2.6340 . 1 714 68 68 TRP HD1 H 7.2130 . 1 715 68 68 TRP HE1 H 9.8100 . 1 716 68 68 TRP CA C 56.2530 . 1 717 68 68 TRP CB C 33.7190 . 1 718 69 69 THR H H 7.9850 . 1 719 69 69 THR HA H 5.6050 . 1 720 69 69 THR HB H 3.7500 . 1 721 69 69 THR C C 176.0050 . 1 722 69 69 THR CA C 58.8550 . 1 723 69 69 THR CB C 72.7550 . 1 724 69 69 THR CG2 C 22.7950 . 1 725 69 69 THR N N 114.4950 . 1 726 70 70 ILE H H 8.8070 . 1 727 70 70 ILE HA H 5.3840 . 1 728 70 70 ILE HB H 2.1200 . 1 729 70 70 ILE HG13 H 1.4370 . 1 730 70 70 ILE HG2 H 0.8170 . 1 731 70 70 ILE C C 175.7510 . 1 732 70 70 ILE CA C 59.6370 . 1 733 70 70 ILE CB C 41.6890 . 1 734 70 70 ILE CG1 C 26.3840 . 1 735 70 70 ILE CG2 C 17.6830 . 1 736 70 70 ILE CD1 C 12.6000 . 1 737 70 70 ILE N N 114.4480 . 1 738 71 71 VAL H H 8.5000 . 1 739 71 71 VAL HA H 5.0120 . 1 740 71 71 VAL HB H 1.9400 . 1 741 71 71 VAL HG1 H 0.8690 . 1 742 71 71 VAL HG2 H 0.6910 . 1 743 71 71 VAL C C 177.6250 . 1 744 71 71 VAL CA C 61.6470 . 1 745 71 71 VAL CB C 32.4820 . 1 746 71 71 VAL CG1 C 21.8540 . 1 747 71 71 VAL CG2 C 19.8580 . 1 748 71 71 VAL N N 124.0840 . 1 749 72 72 VAL H H 9.2800 . 1 750 72 72 VAL HA H 5.1470 . 1 751 72 72 VAL HB H 2.1000 . 1 752 72 72 VAL HG1 H 1.0330 . 1 753 72 72 VAL HG2 H 0.8740 . 1 754 72 72 VAL C C 175.4440 . 1 755 72 72 VAL CA C 60.2520 . 1 756 72 72 VAL CB C 37.4250 . 1 757 72 72 VAL CG1 C 22.1870 . 1 758 72 72 VAL CG2 C 20.4710 . 1 759 72 72 VAL N N 127.7530 . 1 760 73 73 ARG H H 9.1940 . 1 761 73 73 ARG HA H 5.4580 . 1 762 73 73 ARG HB2 H 1.5620 . 1 763 73 73 ARG HB3 H 1.9650 . 1 764 73 73 ARG HG2 H 1.3550 . 1 765 73 73 ARG HG3 H 1.4750 . 1 766 73 73 ARG HD2 H 3.2490 . 1 767 73 73 ARG HD3 H 3.2490 . 1 768 73 73 ARG C C 177.9810 . 1 769 73 73 ARG CA C 53.7880 . 1 770 73 73 ARG CB C 33.8550 . 1 771 73 73 ARG CG C 26.4980 . 1 772 73 73 ARG CD C 43.5920 . 1 773 73 73 ARG N N 125.8390 . 1 774 74 74 LYS H H 10.9300 . 1 775 74 74 LYS HA H 4.3230 . 1 776 74 74 LYS HB2 H 1.4800 . 1 777 74 74 LYS HB3 H 2.1700 . 1 778 74 74 LYS HG2 H 1.1530 . 1 779 74 74 LYS HG3 H 1.4970 . 1 780 74 74 LYS HD2 H 1.7200 . 2 781 74 74 LYS HD3 H 1.7200 . 2 782 74 74 LYS HE2 H 2.8930 . 1 783 74 74 LYS HE3 H 2.8930 . 1 784 74 74 LYS C C 178.3400 . 1 785 74 74 LYS CA C 55.9830 . 1 786 74 74 LYS CB C 33.1030 . 1 787 74 74 LYS CG C 26.3460 . 1 788 74 74 LYS CD C 30.0180 . 1 789 74 74 LYS CE C 42.9800 . 1 790 74 74 LYS N N 129.5220 . 1 791 75 75 LYS H H 10.8730 . 1 792 75 75 LYS HA H 4.4890 . 1 793 75 75 LYS HB2 H 1.8780 . 2 794 75 75 LYS HB3 H 1.8780 . 1 795 75 75 LYS HG2 H 1.3560 . 2 796 75 75 LYS HG3 H 1.3560 . 2 797 75 75 LYS HD2 H 1.6032 . 2 798 75 75 LYS HD3 H 1.6032 . 2 799 75 75 LYS CA C 55.9270 . 1 800 75 75 LYS CB C 29.7300 . 1 801 75 75 LYS CG C 23.8710 . 1 802 75 75 LYS CD C 28.2340 . 1 803 75 75 LYS N N 131.8170 . 1 804 76 76 ALA H H 8.2770 . 1 805 76 76 ALA HA H 4.3360 . 1 806 76 76 ALA HB H 1.4120 . 1 807 76 76 ALA CA C 51.7860 . 1 808 76 76 ALA CB C 19.7470 . 1 809 76 76 ALA N N 125.3720 . 1 stop_ save_