data_6982 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of TA0895, an MoaD homologue from Thermoplasma acidophilum ; _BMRB_accession_number 6982 _BMRB_flat_file_name bmr6982.str _Entry_type original _Submission_date 2006-02-14 _Accession_date 2006-02-14 _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 Yeo 'In Young' . . 2 Hong Eunmi . . 3 Jung Jinwon . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl H. . 6 Lee Weontae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 474 "13C chemical shifts" 277 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-16 update BMRB 'complete entry citation' 2006-11-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of TA0895, a MoaD homologue from Thermoplasma acidophilum' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17019685 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Yeo 'In Young' . . 3 Hong Eunmi . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl H. . 6 Lee Weontae . . stop_ _Journal_abbreviation 'Proteins: Struct. Funct. Genet.' _Journal_volume 65 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1055 _Page_last 1057 _Year 2006 _Details . loop_ _Keyword MoaD molybdopterin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TA0895 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TA0895 $TA0895 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TA0895 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TA0895 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function MoaD stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MGTSHHHHHHSSGRENLYFQ SHMVTVRYYATLRPITKKKE ETFNGISKISELLERLKVEY GSEFTKQMYDGNNLFKNVII LVNGNNITSMKGLDTEIKDD DKIDLFPPVAGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 THR 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 ARG 15 GLU 16 ASN 17 LEU 18 TYR 19 PHE 20 GLN 21 SER 22 HIS 23 MET 24 VAL 25 THR 26 VAL 27 ARG 28 TYR 29 TYR 30 ALA 31 THR 32 LEU 33 ARG 34 PRO 35 ILE 36 THR 37 LYS 38 LYS 39 LYS 40 GLU 41 GLU 42 THR 43 PHE 44 ASN 45 GLY 46 ILE 47 SER 48 LYS 49 ILE 50 SER 51 GLU 52 LEU 53 LEU 54 GLU 55 ARG 56 LEU 57 LYS 58 VAL 59 GLU 60 TYR 61 GLY 62 SER 63 GLU 64 PHE 65 THR 66 LYS 67 GLN 68 MET 69 TYR 70 ASP 71 GLY 72 ASN 73 ASN 74 LEU 75 PHE 76 LYS 77 ASN 78 VAL 79 ILE 80 ILE 81 LEU 82 VAL 83 ASN 84 GLY 85 ASN 86 ASN 87 ILE 88 THR 89 SER 90 MET 91 LYS 92 GLY 93 LEU 94 ASP 95 THR 96 GLU 97 ILE 98 LYS 99 ASP 100 ASP 101 ASP 102 LYS 103 ILE 104 ASP 105 LEU 106 PHE 107 PRO 108 PRO 109 VAL 110 ALA 111 GLY 112 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 BMRB 15687 TA0895 80.36 90 100.00 100.00 1.60e-57 PDB 2G1E "Solution Structure Of Ta0895" 80.36 90 100.00 100.00 1.60e-57 PDB 2K22 "Automated Nmr Structure Of The Ta0895 By Fapsy" 80.36 90 100.00 100.00 1.60e-57 EMBL CAC12024 "conserved hypothetical protein [Thermoplasma acidophilum]" 80.36 90 100.00 100.00 1.60e-57 REF NP_394354 "hypothetical protein Ta0895 [Thermoplasma acidophilum DSM 1728]" 80.36 90 100.00 100.00 1.60e-57 REF WP_010901305 "molybdopterin converting factor [Thermoplasma acidophilum]" 80.36 90 100.00 100.00 1.60e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TA0895 . Archaea 2303 . Thermoplasma acidophilum . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $TA0895 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 (DE3) pET pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TA0895 1.5 mM '[U-90% 15N]' stop_ save_ save_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TA0895 1.2 mM '[U-98% 13C]' stop_ save_ save_13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TA0895 1.5 mM '[U-90% 15N; U-98% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_sparky _Saveframe_category software _Name SPARKY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX500 _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX600 _Field_strength 600 _Details 'DRX600 with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_C(CCCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CCCO)NH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_H2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $sparky stop_ _Sample_conditions_label $H2O _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name TA0895 _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 23 MET H H 8.946 0.020 1 2 1 23 MET HA H 5.128 0.020 1 3 1 23 MET HB2 H 1.985 0.020 2 4 1 23 MET HB3 H 1.867 0.020 2 5 1 23 MET HG2 H 2.358 0.020 2 6 1 23 MET HG3 H 2.267 0.020 2 7 1 23 MET CA C 55.542 0.400 1 8 1 23 MET CB C 35.678 0.400 1 9 1 23 MET CG C 32.551 0.400 1 10 1 23 MET N N 122.963 0.400 1 11 2 24 VAL H H 8.636 0.020 1 12 2 24 VAL HA H 4.793 0.020 1 13 2 24 VAL HB H 1.891 0.020 1 14 2 24 VAL HG1 H 0.783 0.020 2 15 2 24 VAL HG2 H 0.704 0.020 2 16 2 24 VAL CA C 59.932 0.400 1 17 2 24 VAL CB C 35.115 0.400 1 18 2 24 VAL CG1 C 22.224 0.400 1 19 2 24 VAL CG2 C 20.307 0.400 1 20 2 24 VAL N N 118.387 0.400 1 21 3 25 THR H H 8.060 0.020 1 22 3 25 THR HA H 4.654 0.020 1 23 3 25 THR HB H 3.705 0.020 1 24 3 25 THR HG2 H 0.855 0.020 1 25 3 25 THR CA C 62.862 0.400 1 26 3 25 THR CB C 70.763 0.400 1 27 3 25 THR CG2 C 21.331 0.400 1 28 3 25 THR N N 119.398 0.400 1 29 4 26 VAL H H 9.232 0.020 1 30 4 26 VAL HA H 4.672 0.020 1 31 4 26 VAL HB H 1.755 0.020 1 32 4 26 VAL HG1 H 0.814 0.020 2 33 4 26 VAL HG2 H 0.550 0.020 2 34 4 26 VAL CA C 60.585 0.400 1 35 4 26 VAL CB C 34.568 0.400 1 36 4 26 VAL CG1 C 24.247 0.400 1 37 4 26 VAL CG2 C 22.867 0.400 1 38 4 26 VAL N N 128.258 0.400 1 39 5 27 ARG H H 8.881 0.020 1 40 5 27 ARG HA H 4.525 0.020 1 41 5 27 ARG HB2 H 2.319 0.020 1 42 5 27 ARG HB3 H 2.319 0.020 1 43 5 27 ARG HD2 H 2.975 0.020 1 44 5 27 ARG HD3 H 2.975 0.020 1 45 5 27 ARG CA C 55.676 0.400 1 46 5 27 ARG CB C 32.002 0.400 1 47 5 27 ARG CD C 43.972 0.400 1 48 5 27 ARG N N 124.738 0.400 1 49 6 28 TYR H H 7.465 0.020 1 50 6 28 TYR HA H 4.633 0.020 1 51 6 28 TYR HB2 H 2.439 0.020 2 52 6 28 TYR HB3 H 2.578 0.020 2 53 6 28 TYR HD1 H 6.654 0.020 1 54 6 28 TYR HD2 H 6.654 0.020 1 55 6 28 TYR HE1 H 6.448 0.020 1 56 6 28 TYR HE2 H 6.448 0.020 1 57 6 28 TYR CA C 56.422 0.400 1 58 6 28 TYR CB C 41.068 0.400 1 59 6 28 TYR N N 119.258 0.400 1 60 7 29 TYR H H 6.772 0.020 1 61 7 29 TYR HA H 4.456 0.020 1 62 7 29 TYR HB2 H 3.066 0.020 2 63 7 29 TYR HB3 H 2.329 0.020 2 64 7 29 TYR HD1 H 6.638 0.020 1 65 7 29 TYR HD2 H 6.638 0.020 1 66 7 29 TYR HE1 H 6.472 0.020 1 67 7 29 TYR HE2 H 6.472 0.020 1 68 7 29 TYR CA C 58.413 0.400 1 69 7 29 TYR CB C 42.978 0.400 1 70 7 29 TYR N N 117.757 0.400 1 71 8 30 ALA H H 9.383 0.020 1 72 8 30 ALA HA H 3.934 0.020 1 73 8 30 ALA HB H 1.553 0.020 1 74 8 30 ALA CA C 53.920 0.400 1 75 8 30 ALA CB C 18.367 0.400 1 76 8 30 ALA N N 122.799 0.400 1 77 9 31 THR H H 7.121 0.020 1 78 9 31 THR HA H 3.846 0.020 1 79 9 31 THR HB H 4.315 0.020 1 80 9 31 THR HG2 H 1.192 0.020 1 81 9 31 THR CA C 64.310 0.400 1 82 9 31 THR CB C 68.856 0.400 1 83 9 31 THR CG2 C 23.350 0.400 1 84 9 31 THR N N 111.393 0.400 1 85 10 32 LEU H H 7.983 0.020 1 86 10 32 LEU HA H 4.210 0.020 1 87 10 32 LEU HB2 H 2.006 0.020 2 88 10 32 LEU HB3 H 1.164 0.020 2 89 10 32 LEU HG H 1.336 0.020 1 90 10 32 LEU HD1 H 1.085 0.020 2 91 10 32 LEU HD2 H 0.654 0.020 2 92 10 32 LEU CA C 56.942 0.400 1 93 10 32 LEU CB C 43.468 0.400 1 94 10 32 LEU CG C 27.423 0.400 1 95 10 32 LEU CD1 C 27.429 0.400 1 96 10 32 LEU CD2 C 22.953 0.400 1 97 10 32 LEU N N 118.017 0.400 1 98 11 33 ARG H H 7.425 0.020 1 99 11 33 ARG HA H 4.036 0.020 1 100 11 33 ARG HB2 H 1.580 0.020 1 101 11 33 ARG HB3 H 1.580 0.020 1 102 11 33 ARG HG2 H 1.257 0.020 1 103 11 33 ARG HG3 H 1.257 0.020 1 104 11 33 ARG CA C 61.534 0.400 1 105 11 33 ARG CB C 28.119 0.400 1 106 11 33 ARG N N 118.616 0.400 1 107 12 34 PRO HA H 4.188 0.020 1 108 12 34 PRO HB2 H 2.203 0.020 2 109 12 34 PRO HB3 H 1.863 0.020 2 110 12 34 PRO HG2 H 1.711 0.020 2 111 12 34 PRO HG3 H 1.616 0.020 2 112 12 34 PRO HD2 H 3.477 0.020 1 113 12 34 PRO HD3 H 3.477 0.020 1 114 12 34 PRO CA C 65.305 0.400 1 115 12 34 PRO CB C 31.827 0.400 1 116 12 34 PRO CG C 28.543 0.400 1 117 12 34 PRO CD C 50.886 0.400 1 118 13 35 ILE H H 6.590 0.020 1 119 13 35 ILE HA H 3.745 0.020 1 120 13 35 ILE HB H 1.733 0.020 1 121 13 35 ILE HG12 H 1.015 0.020 2 122 13 35 ILE HG13 H 1.518 0.020 2 123 13 35 ILE HG2 H 0.725 0.020 1 124 13 35 ILE HD1 H 0.719 0.020 1 125 13 35 ILE CA C 63.472 0.400 1 126 13 35 ILE CB C 39.386 0.400 1 127 13 35 ILE CG1 C 28.882 0.400 1 128 13 35 ILE CG2 C 17.729 0.400 1 129 13 35 ILE CD1 C 14.886 0.400 1 130 13 35 ILE N N 114.422 0.400 1 131 14 36 THR H H 7.752 0.020 1 132 14 36 THR HA H 3.503 0.020 1 133 14 36 THR HB H 3.206 0.020 1 134 14 36 THR CA C 62.452 0.400 1 135 14 36 THR CB C 69.604 0.400 1 136 14 36 THR CG2 C 18.419 0.400 1 137 14 36 THR N N 109.205 0.400 1 138 15 37 LYS H H 7.995 0.020 1 139 15 37 LYS HA H 3.599 0.020 1 140 15 37 LYS CA C 57.845 0.400 1 141 15 37 LYS CB C 29.576 0.400 1 142 15 37 LYS CG C 23.663 0.400 1 143 15 37 LYS CD C 25.406 0.400 1 144 15 37 LYS CE C 42.779 0.400 1 145 15 37 LYS N N 114.431 0.400 1 146 16 38 LYS H H 7.958 0.020 1 147 16 38 LYS HA H 4.501 0.020 1 148 16 38 LYS HB2 H 1.932 0.020 2 149 16 38 LYS HB3 H 1.330 0.020 2 150 16 38 LYS HD2 H 1.509 0.020 1 151 16 38 LYS HD3 H 1.509 0.020 1 152 16 38 LYS HE2 H 2.977 0.020 1 153 16 38 LYS HE3 H 2.977 0.020 1 154 16 38 LYS CA C 55.764 0.400 1 155 16 38 LYS CB C 36.382 0.400 1 156 16 38 LYS CD C 30.062 0.400 1 157 16 38 LYS CE C 42.354 0.400 1 158 16 38 LYS N N 116.586 0.400 1 159 17 39 LYS H H 8.506 0.020 1 160 17 39 LYS HA H 4.085 0.020 1 161 17 39 LYS HB2 H 1.657 0.020 1 162 17 39 LYS HB3 H 1.657 0.020 1 163 17 39 LYS HE2 H 2.750 0.020 1 164 17 39 LYS HE3 H 2.750 0.020 1 165 17 39 LYS CA C 58.540 0.400 1 166 17 39 LYS CB C 34.045 0.400 1 167 17 39 LYS CD C 28.020 0.400 1 168 17 39 LYS CE C 42.562 0.400 1 169 17 39 LYS N N 117.296 0.400 1 170 18 40 GLU H H 7.483 0.020 1 171 18 40 GLU HA H 5.270 0.020 1 172 18 40 GLU HB2 H 1.607 0.020 1 173 18 40 GLU HB3 H 1.607 0.020 1 174 18 40 GLU HG2 H 1.867 0.020 2 175 18 40 GLU HG3 H 1.730 0.020 2 176 18 40 GLU CA C 54.725 0.400 1 177 18 40 GLU CB C 33.778 0.400 1 178 18 40 GLU CG C 35.255 0.400 1 179 18 40 GLU N N 114.853 0.400 1 180 19 41 GLU H H 8.964 0.020 1 181 19 41 GLU HA H 4.496 0.020 1 182 19 41 GLU HB2 H 2.016 0.020 1 183 19 41 GLU HB3 H 2.016 0.020 1 184 19 41 GLU HG2 H 2.306 0.020 1 185 19 41 GLU HG3 H 2.306 0.020 1 186 19 41 GLU CA C 55.972 0.400 1 187 19 41 GLU CB C 33.490 0.400 1 188 19 41 GLU CG C 34.578 0.400 1 189 19 41 GLU N N 119.301 0.400 1 190 20 42 THR H H 7.962 0.020 1 191 20 42 THR HA H 5.372 0.020 1 192 20 42 THR HB H 3.871 0.020 1 193 20 42 THR HG2 H 1.018 0.020 1 194 20 42 THR CA C 60.257 0.400 1 195 20 42 THR CB C 71.775 0.400 1 196 20 42 THR CG2 C 22.360 0.400 1 197 20 42 THR N N 113.351 0.400 1 198 21 43 PHE H H 8.552 0.020 1 199 21 43 PHE HA H 4.633 0.020 1 200 21 43 PHE HB2 H 2.826 0.020 2 201 21 43 PHE HB3 H 2.230 0.020 2 202 21 43 PHE HD1 H 6.908 0.020 1 203 21 43 PHE HD2 H 6.908 0.020 1 204 21 43 PHE CA C 57.604 0.400 1 205 21 43 PHE CB C 45.340 0.400 1 206 21 43 PHE N N 118.387 0.400 1 207 22 44 ASN H H 8.634 0.020 1 208 22 44 ASN HA H 4.904 0.020 1 209 22 44 ASN HB2 H 2.768 0.020 2 210 22 44 ASN HB3 H 2.494 0.020 2 211 22 44 ASN CA C 52.423 0.400 1 212 22 44 ASN CB C 42.207 0.400 1 213 22 44 ASN N N 117.970 0.400 1 214 23 45 GLY H H 8.387 0.020 1 215 23 45 GLY HA2 H 3.775 0.020 1 216 23 45 GLY HA3 H 3.775 0.020 1 217 23 45 GLY CA C 47.274 0.400 1 218 23 45 GLY N N 107.900 0.400 1 219 24 46 ILE H H 7.855 0.020 1 220 24 46 ILE HA H 4.065 0.020 1 221 24 46 ILE HB H 1.577 0.020 1 222 24 46 ILE HG12 H 1.128 0.020 2 223 24 46 ILE HG13 H 0.952 0.020 2 224 24 46 ILE HG2 H 0.638 0.020 1 225 24 46 ILE HD1 H 0.400 0.020 1 226 24 46 ILE CA C 60.607 0.400 1 227 24 46 ILE CB C 38.855 0.400 1 228 24 46 ILE CG1 C 27.286 0.400 1 229 24 46 ILE CG2 C 19.370 0.400 1 230 24 46 ILE CD1 C 12.748 0.400 1 231 24 46 ILE N N 119.803 0.400 1 232 25 47 SER H H 8.872 0.020 1 233 25 47 SER HA H 4.791 0.020 1 234 25 47 SER HB2 H 3.897 0.020 2 235 25 47 SER HB3 H 3.722 0.020 2 236 25 47 SER CA C 60.192 0.400 1 237 25 47 SER CB C 65.835 0.400 1 238 25 47 SER N N 119.639 0.400 1 239 26 48 LYS H H 7.240 0.020 1 240 26 48 LYS HA H 5.280 0.020 1 241 26 48 LYS HB2 H 1.469 0.020 2 242 26 48 LYS HB3 H 1.828 0.020 2 243 26 48 LYS HG2 H 1.292 0.020 1 244 26 48 LYS HG3 H 1.292 0.020 1 245 26 48 LYS HD2 H 1.584 0.020 1 246 26 48 LYS HD3 H 1.584 0.020 1 247 26 48 LYS HE2 H 2.844 0.020 1 248 26 48 LYS HE3 H 2.844 0.020 1 249 26 48 LYS CA C 55.472 0.400 1 250 26 48 LYS CB C 38.633 0.400 1 251 26 48 LYS CG C 25.268 0.400 1 252 26 48 LYS CD C 30.226 0.400 1 253 26 48 LYS CE C 42.202 0.400 1 254 26 48 LYS N N 118.182 0.400 1 255 27 49 ILE H H 8.223 0.020 1 256 27 49 ILE HA H 3.655 0.020 1 257 27 49 ILE HB H 2.223 0.020 1 258 27 49 ILE HG12 H 1.583 0.020 2 259 27 49 ILE HG13 H 1.319 0.020 2 260 27 49 ILE HG2 H 0.799 0.020 1 261 27 49 ILE HD1 H 0.526 0.020 1 262 27 49 ILE CA C 62.465 0.400 1 263 27 49 ILE CB C 35.030 0.400 1 264 27 49 ILE CG1 C 27.464 0.400 1 265 27 49 ILE CG2 C 18.370 0.400 1 266 27 49 ILE CD1 C 9.460 0.400 1 267 27 49 ILE N N 122.220 0.400 1 268 28 50 SER H H 8.693 0.020 1 269 28 50 SER HA H 4.154 0.020 1 270 28 50 SER HB2 H 3.838 0.020 1 271 28 50 SER HB3 H 3.838 0.020 1 272 28 50 SER CA C 61.655 0.400 1 273 28 50 SER CB C 65.894 0.400 1 274 28 50 SER N N 114.783 0.400 1 275 29 51 GLU H H 6.534 0.020 1 276 29 51 GLU HA H 3.974 0.020 1 277 29 51 GLU HB2 H 1.893 0.020 1 278 29 51 GLU HB3 H 1.893 0.020 1 279 29 51 GLU HG2 H 2.149 0.020 1 280 29 51 GLU HG3 H 2.149 0.020 1 281 29 51 GLU CA C 58.645 0.400 1 282 29 51 GLU CB C 31.039 0.400 1 283 29 51 GLU CG C 36.744 0.400 1 284 29 51 GLU N N 121.986 0.400 1 285 30 52 LEU H H 7.565 0.020 1 286 30 52 LEU HA H 3.698 0.020 1 287 30 52 LEU HB2 H 1.115 0.020 2 288 30 52 LEU HB3 H 2.195 0.020 2 289 30 52 LEU HG H 1.253 0.020 1 290 30 52 LEU HD1 H 0.682 0.020 2 291 30 52 LEU HD2 H 0.340 0.020 2 292 30 52 LEU CA C 58.380 0.400 1 293 30 52 LEU CB C 41.789 0.400 1 294 30 52 LEU CD1 C 27.192 0.400 1 295 30 52 LEU CD2 C 23.267 0.400 1 296 30 52 LEU N N 121.527 0.400 1 297 31 53 LEU H H 8.069 0.020 1 298 31 53 LEU HA H 3.846 0.020 1 299 31 53 LEU HB2 H 1.844 0.020 1 300 31 53 LEU HB3 H 1.844 0.020 1 301 31 53 LEU HG H 0.814 0.020 1 302 31 53 LEU CA C 58.941 0.400 1 303 31 53 LEU CB C 40.571 0.400 1 304 31 53 LEU CG C 27.089 0.400 1 305 31 53 LEU CD1 C 21.710 0.400 1 306 31 53 LEU N N 117.560 0.400 1 307 32 54 GLU H H 7.571 0.020 1 308 32 54 GLU HA H 3.812 0.020 1 309 32 54 GLU HB2 H 1.934 0.020 1 310 32 54 GLU HB3 H 1.934 0.020 1 311 32 54 GLU HG2 H 2.258 0.020 1 312 32 54 GLU HG3 H 2.258 0.020 1 313 32 54 GLU CA C 59.712 0.400 1 314 32 54 GLU CB C 29.433 0.400 1 315 32 54 GLU CG C 36.134 0.400 1 316 32 54 GLU N N 116.472 0.400 1 317 33 55 ARG H H 7.565 0.020 1 318 33 55 ARG HA H 3.943 0.020 1 319 33 55 ARG HB2 H 1.599 0.020 1 320 33 55 ARG HB3 H 1.599 0.020 1 321 33 55 ARG CA C 58.061 0.400 1 322 33 55 ARG CB C 29.063 0.400 1 323 33 55 ARG CG C 26.851 0.400 1 324 33 55 ARG CD C 41.444 0.400 1 325 33 55 ARG N N 119.643 0.400 1 326 34 56 LEU H H 8.072 0.020 1 327 34 56 LEU HA H 3.597 0.020 1 328 34 56 LEU HB2 H 1.452 0.020 2 329 34 56 LEU HB3 H 0.088 0.020 2 330 34 56 LEU HG H 1.564 0.020 1 331 34 56 LEU HD1 H 0.750 0.020 2 332 34 56 LEU HD2 H 0.867 0.020 2 333 34 56 LEU CA C 58.215 0.400 1 334 34 56 LEU CB C 41.697 0.400 1 335 34 56 LEU CG C 27.246 0.400 1 336 34 56 LEU CD1 C 28.433 0.400 1 337 34 56 LEU CD2 C 25.256 0.400 1 338 34 56 LEU N N 119.855 0.400 1 339 35 57 LYS H H 7.795 0.020 1 340 35 57 LYS HA H 3.730 0.020 1 341 35 57 LYS HB2 H 1.797 0.020 2 342 35 57 LYS HB3 H 1.624 0.020 2 343 35 57 LYS HG2 H 1.359 0.020 1 344 35 57 LYS HG3 H 1.359 0.020 1 345 35 57 LYS HE2 H 2.404 0.020 1 346 35 57 LYS HE3 H 2.404 0.020 1 347 35 57 LYS CA C 60.985 0.400 1 348 35 57 LYS CB C 33.146 0.400 1 349 35 57 LYS CD C 29.843 0.400 1 350 35 57 LYS CE C 42.028 0.400 1 351 35 57 LYS N N 118.323 0.400 1 352 36 58 VAL H H 7.209 0.020 1 353 36 58 VAL HA H 3.517 0.020 1 354 36 58 VAL HB H 2.031 0.020 1 355 36 58 VAL HG1 H 0.748 0.020 2 356 36 58 VAL HG2 H 0.893 0.020 2 357 36 58 VAL CA C 66.378 0.400 1 358 36 58 VAL CB C 32.347 0.400 1 359 36 58 VAL CG1 C 21.653 0.400 1 360 36 58 VAL CG2 C 23.144 0.400 1 361 36 58 VAL N N 118.988 0.400 1 362 37 59 GLU H H 8.138 0.020 1 363 37 59 GLU HA H 3.671 0.020 1 364 37 59 GLU CA C 58.983 0.400 1 365 37 59 GLU CB C 30.184 0.400 1 366 37 59 GLU CG C 34.537 0.400 1 367 37 59 GLU N N 118.704 0.400 1 368 38 60 TYR H H 8.168 0.020 1 369 38 60 TYR HA H 4.654 0.020 1 370 38 60 TYR HB2 H 3.001 0.020 2 371 38 60 TYR HB3 H 2.244 0.020 2 372 38 60 TYR HD1 H 6.732 0.020 1 373 38 60 TYR HD2 H 6.732 0.020 1 374 38 60 TYR CA C 59.102 0.400 1 375 38 60 TYR CB C 40.270 0.400 1 376 38 60 TYR N N 112.473 0.400 1 377 39 61 GLY H H 7.366 0.020 1 378 39 61 GLY HA2 H 4.015 0.020 1 379 39 61 GLY HA3 H 4.015 0.020 1 380 39 61 GLY CA C 46.742 0.400 1 381 39 61 GLY N N 108.211 0.400 1 382 40 62 SER H H 7.761 0.020 1 383 40 62 SER N N 121.113 0.400 1 384 41 63 GLU H H 9.087 0.020 1 385 41 63 GLU HA H 4.028 0.020 1 386 41 63 GLU HB2 H 1.990 0.020 1 387 41 63 GLU HB3 H 1.990 0.020 1 388 41 63 GLU HG2 H 2.326 0.020 1 389 41 63 GLU HG3 H 2.326 0.020 1 390 41 63 GLU CA C 60.115 0.400 1 391 41 63 GLU CB C 30.087 0.400 1 392 41 63 GLU CG C 37.350 0.400 1 393 41 63 GLU N N 120.601 0.400 1 394 42 64 PHE H H 7.311 0.020 1 395 42 64 PHE HA H 3.841 0.020 1 396 42 64 PHE HB2 H 3.339 0.020 2 397 42 64 PHE HB3 H 2.717 0.020 2 398 42 64 PHE HD1 H 6.806 0.020 1 399 42 64 PHE HD2 H 6.806 0.020 1 400 42 64 PHE CA C 62.195 0.400 1 401 42 64 PHE CB C 40.750 0.400 1 402 42 64 PHE N N 117.874 0.400 1 403 43 65 THR H H 8.187 0.020 1 404 43 65 THR HA H 3.636 0.020 1 405 43 65 THR HB H 4.120 0.020 1 406 43 65 THR HG2 H 0.986 0.020 1 407 43 65 THR CA C 67.281 0.400 1 408 43 65 THR CB C 68.463 0.400 1 409 43 65 THR CG2 C 23.375 0.400 1 410 43 65 THR N N 115.787 0.400 1 411 44 66 LYS H H 8.574 0.020 1 412 44 66 LYS HA H 4.165 0.020 1 413 44 66 LYS HB2 H 1.811 0.020 1 414 44 66 LYS HB3 H 1.811 0.020 1 415 44 66 LYS HG2 H 1.412 0.020 1 416 44 66 LYS HG3 H 1.412 0.020 1 417 44 66 LYS HD2 H 1.583 0.020 1 418 44 66 LYS HD3 H 1.583 0.020 1 419 44 66 LYS HE2 H 2.840 0.020 1 420 44 66 LYS HE3 H 2.840 0.020 1 421 44 66 LYS CA C 59.315 0.400 1 422 44 66 LYS CB C 33.075 0.400 1 423 44 66 LYS CG C 25.617 0.400 1 424 44 66 LYS CD C 29.809 0.400 1 425 44 66 LYS CE C 42.472 0.400 1 426 44 66 LYS N N 119.327 0.400 1 427 45 67 GLN H H 7.020 0.020 1 428 45 67 GLN HA H 4.078 0.020 1 429 45 67 GLN HB2 H 1.816 0.020 1 430 45 67 GLN HB3 H 1.816 0.020 1 431 45 67 GLN HG2 H 2.263 0.020 2 432 45 67 GLN HG3 H 2.062 0.020 2 433 45 67 GLN CA C 57.358 0.400 1 434 45 67 GLN CB C 30.041 0.400 1 435 45 67 GLN CG C 34.722 0.400 1 436 45 67 GLN N N 113.543 0.400 1 437 46 68 MET H H 6.936 0.020 1 438 46 68 MET HA H 4.573 0.020 1 439 46 68 MET HB2 H 1.451 0.020 1 440 46 68 MET HB3 H 1.451 0.020 1 441 46 68 MET HG2 H 1.904 0.020 1 442 46 68 MET HG3 H 1.904 0.020 1 443 46 68 MET CA C 55.471 0.400 1 444 46 68 MET CB C 34.370 0.400 1 445 46 68 MET CG C 32.736 0.400 1 446 46 68 MET N N 111.214 0.400 1 447 47 69 TYR H H 8.390 0.020 1 448 47 69 TYR HA H 4.137 0.020 1 449 47 69 TYR HB2 H 2.699 0.020 2 450 47 69 TYR HB3 H 2.440 0.020 2 451 47 69 TYR HD1 H 6.706 0.020 1 452 47 69 TYR HD2 H 6.706 0.020 1 453 47 69 TYR HE1 H 6.411 0.020 1 454 47 69 TYR HE2 H 6.411 0.020 1 455 47 69 TYR CA C 58.769 0.400 1 456 47 69 TYR CB C 40.668 0.400 1 457 47 69 TYR N N 117.615 0.400 1 458 48 70 ASP H H 8.029 0.020 1 459 48 70 ASP HA H 4.893 0.020 1 460 48 70 ASP HB2 H 2.773 0.020 2 461 48 70 ASP HB3 H 2.517 0.020 2 462 48 70 ASP CA C 51.567 0.400 1 463 48 70 ASP CB C 41.180 0.400 1 464 48 70 ASP N N 122.042 0.400 1 465 49 71 GLY H H 8.008 0.020 1 466 49 71 GLY HA2 H 3.497 0.020 2 467 49 71 GLY HA3 H 3.831 0.020 2 468 49 71 GLY CA C 47.177 0.400 1 469 49 71 GLY N N 112.803 0.400 1 470 50 72 ASN HA H 4.492 0.020 1 471 50 72 ASN HB2 H 2.686 0.020 2 472 50 72 ASN HB3 H 2.459 0.020 2 473 50 72 ASN CA C 54.039 0.400 1 474 50 72 ASN CB C 39.855 0.400 1 475 51 73 ASN H H 7.523 0.020 1 476 51 73 ASN HA H 4.929 0.020 1 477 51 73 ASN HB2 H 2.572 0.020 1 478 51 73 ASN HB3 H 2.572 0.020 1 479 51 73 ASN CA C 52.082 0.400 1 480 51 73 ASN CB C 42.207 0.400 1 481 51 73 ASN N N 116.681 0.400 1 482 52 74 LEU H H 8.526 0.020 1 483 52 74 LEU HA H 3.843 0.020 1 484 52 74 LEU HB2 H 1.217 0.020 1 485 52 74 LEU HB3 H 1.217 0.020 1 486 52 74 LEU HG H 1.330 0.020 1 487 52 74 LEU HD1 H 0.586 0.020 2 488 52 74 LEU HD2 H 0.156 0.020 2 489 52 74 LEU CA C 55.411 0.400 1 490 52 74 LEU CB C 43.165 0.400 1 491 52 74 LEU CG C 26.902 0.400 1 492 52 74 LEU CD1 C 26.475 0.400 1 493 52 74 LEU CD2 C 23.917 0.400 1 494 52 74 LEU N N 123.136 0.400 1 495 53 75 PHE H H 8.178 0.020 1 496 53 75 PHE HA H 4.234 0.020 1 497 53 75 PHE HB2 H 2.469 0.020 2 498 53 75 PHE HB3 H 3.331 0.020 2 499 53 75 PHE HD1 H 7.033 0.020 1 500 53 75 PHE HD2 H 7.033 0.020 1 501 53 75 PHE CA C 60.677 0.400 1 502 53 75 PHE CB C 40.421 0.400 1 503 53 75 PHE N N 122.054 0.400 1 504 54 76 LYS H H 8.741 0.020 1 505 54 76 LYS HA H 3.934 0.020 1 506 54 76 LYS HB2 H 1.727 0.020 1 507 54 76 LYS HB3 H 1.727 0.020 1 508 54 76 LYS HG2 H 1.409 0.020 1 509 54 76 LYS HG3 H 1.409 0.020 1 510 54 76 LYS CA C 59.088 0.400 1 511 54 76 LYS CB C 32.730 0.400 1 512 54 76 LYS CD C 28.944 0.400 1 513 54 76 LYS CE C 42.238 0.400 1 514 54 76 LYS N N 121.544 0.400 1 515 55 77 ASN H H 8.153 0.020 1 516 55 77 ASN HA H 4.599 0.020 1 517 55 77 ASN HB2 H 2.850 0.020 2 518 55 77 ASN HB3 H 2.675 0.020 2 519 55 77 ASN CA C 53.255 0.400 1 520 55 77 ASN CB C 37.582 0.400 1 521 55 77 ASN N N 111.298 0.400 1 522 56 78 VAL H H 7.000 0.020 1 523 56 78 VAL HA H 3.746 0.020 1 524 56 78 VAL HB H 2.057 0.020 1 525 56 78 VAL HG1 H 0.850 0.020 2 526 56 78 VAL HG2 H 1.219 0.020 2 527 56 78 VAL CA C 64.625 0.400 1 528 56 78 VAL CB C 32.464 0.400 1 529 56 78 VAL CG1 C 22.349 0.400 1 530 56 78 VAL CG2 C 25.433 0.400 1 531 56 78 VAL N N 119.539 0.400 1 532 57 79 ILE H H 8.160 0.020 1 533 57 79 ILE HA H 4.315 0.020 1 534 57 79 ILE HB H 1.530 0.020 1 535 57 79 ILE HG12 H 1.270 0.020 2 536 57 79 ILE HG13 H 0.704 0.020 2 537 57 79 ILE HG2 H 0.604 0.020 1 538 57 79 ILE HD1 H 0.450 0.020 1 539 57 79 ILE CA C 61.294 0.400 1 540 57 79 ILE CB C 40.964 0.400 1 541 57 79 ILE CG1 C 27.752 0.400 1 542 57 79 ILE CG2 C 18.258 0.400 1 543 57 79 ILE CD1 C 13.532 0.400 1 544 57 79 ILE N N 128.379 0.400 1 545 58 80 ILE H H 8.749 0.020 1 546 58 80 ILE HA H 5.082 0.020 1 547 58 80 ILE HB H 1.568 0.020 1 548 58 80 ILE HG12 H 1.523 0.020 2 549 58 80 ILE HG13 H 0.838 0.020 2 550 58 80 ILE HG2 H 0.633 0.020 1 551 58 80 ILE HD1 H 0.597 0.020 1 552 58 80 ILE CA C 60.678 0.400 1 553 58 80 ILE CB C 39.330 0.400 1 554 58 80 ILE CG1 C 27.677 0.400 1 555 58 80 ILE CG2 C 17.381 0.400 1 556 58 80 ILE CD1 C 14.332 0.400 1 557 58 80 ILE N N 127.183 0.400 1 558 59 81 LEU H H 8.595 0.020 1 559 59 81 LEU HA H 5.203 0.020 1 560 59 81 LEU HB2 H 2.115 0.020 2 561 59 81 LEU HB3 H 0.764 0.020 2 562 59 81 LEU HG H 1.556 0.020 1 563 59 81 LEU HD1 H 0.485 0.020 2 564 59 81 LEU CA C 52.380 0.400 1 565 59 81 LEU CB C 45.322 0.400 1 566 59 81 LEU CG C 27.048 0.400 1 567 59 81 LEU CD1 C 22.857 0.400 1 568 59 81 LEU N N 123.222 0.400 1 569 60 82 VAL H H 9.088 0.020 1 570 60 82 VAL HA H 4.343 0.020 1 571 60 82 VAL HB H 1.780 0.020 1 572 60 82 VAL HG1 H 0.699 0.020 2 573 60 82 VAL CA C 62.045 0.400 1 574 60 82 VAL CB C 33.591 0.400 1 575 60 82 VAL CG1 C 21.899 0.400 1 576 60 82 VAL N N 119.831 0.400 1 577 61 83 ASN H H 9.599 0.020 1 578 61 83 ASN HA H 4.263 0.020 1 579 61 83 ASN HB2 H 2.911 0.020 2 580 61 83 ASN HB3 H 2.801 0.020 2 581 61 83 ASN CA C 54.788 0.400 1 582 61 83 ASN CB C 37.898 0.400 1 583 61 83 ASN N N 128.278 0.400 1 584 62 84 GLY H H 8.979 0.020 1 585 62 84 GLY HA2 H 3.387 0.020 2 586 62 84 GLY HA3 H 4.130 0.020 2 587 62 84 GLY CA C 45.921 0.400 1 588 62 84 GLY N N 101.926 0.400 1 589 63 85 ASN H H 7.933 0.020 1 590 63 85 ASN HA H 4.896 0.020 1 591 63 85 ASN HB2 H 2.768 0.020 2 592 63 85 ASN HB3 H 2.513 0.020 2 593 63 85 ASN CA C 52.162 0.400 1 594 63 85 ASN CB C 41.536 0.400 1 595 63 85 ASN N N 119.294 0.400 1 596 64 86 ASN HA H 4.691 0.020 1 597 64 86 ASN HB2 H 2.773 0.020 2 598 64 86 ASN HB3 H 2.467 0.020 2 599 64 86 ASN CA C 54.661 0.400 1 600 64 86 ASN CB C 38.736 0.400 1 601 65 87 ILE H H 8.356 0.020 1 602 65 87 ILE HA H 4.093 0.020 1 603 65 87 ILE HB H 2.049 0.020 1 604 65 87 ILE HG2 H 0.946 0.020 1 605 65 87 ILE HD1 H 0.642 0.020 1 606 65 87 ILE CA C 66.377 0.400 1 607 65 87 ILE CB C 37.875 0.400 1 608 65 87 ILE CG2 C 19.630 0.400 1 609 65 87 ILE CD1 C 15.389 0.400 1 610 65 87 ILE N N 123.318 0.400 1 611 66 88 THR H H 9.218 0.020 1 612 66 88 THR HA H 3.985 0.020 1 613 66 88 THR HB H 4.122 0.020 1 614 66 88 THR HG2 H 1.176 0.020 1 615 66 88 THR CA C 65.518 0.400 1 616 66 88 THR CB C 68.682 0.400 1 617 66 88 THR CG2 C 22.076 0.400 1 618 66 88 THR N N 118.827 0.400 1 619 67 89 SER H H 7.863 0.020 1 620 67 89 SER HA H 4.519 0.020 1 621 67 89 SER HB2 H 3.966 0.020 1 622 67 89 SER HB3 H 3.966 0.020 1 623 67 89 SER CA C 59.299 0.400 1 624 67 89 SER CB C 64.871 0.400 1 625 67 89 SER N N 116.313 0.400 1 626 68 90 MET H H 7.388 0.020 1 627 68 90 MET HA H 4.528 0.020 1 628 68 90 MET HB2 H 1.989 0.020 1 629 68 90 MET HB3 H 1.989 0.020 1 630 68 90 MET HG2 H 2.316 0.020 1 631 68 90 MET HG3 H 2.316 0.020 1 632 68 90 MET CA C 55.606 0.400 1 633 68 90 MET CB C 32.755 0.400 1 634 68 90 MET CG C 32.487 0.400 1 635 68 90 MET N N 124.043 0.400 1 636 69 91 LYS H H 7.573 0.020 1 637 69 91 LYS HA H 4.653 0.020 1 638 69 91 LYS HB2 H 1.114 0.020 2 639 69 91 LYS HB3 H 1.938 0.020 2 640 69 91 LYS HG2 H 1.272 0.020 1 641 69 91 LYS HG3 H 1.272 0.020 1 642 69 91 LYS HD2 H 1.572 0.020 1 643 69 91 LYS HD3 H 1.572 0.020 1 644 69 91 LYS CA C 54.797 0.400 1 645 69 91 LYS CB C 33.905 0.400 1 646 69 91 LYS CG C 25.614 0.400 1 647 69 91 LYS CD C 30.044 0.400 1 648 69 91 LYS CE C 42.344 0.400 1 649 69 91 LYS N N 121.535 0.400 1 650 70 92 GLY H H 8.095 0.020 1 651 70 92 GLY HA2 H 3.126 0.020 2 652 70 92 GLY HA3 H 3.913 0.020 2 653 70 92 GLY CA C 47.210 0.400 1 654 70 92 GLY N N 108.753 0.400 1 655 71 93 LEU H H 7.859 0.020 1 656 71 93 LEU HA H 3.794 0.020 1 657 71 93 LEU HB2 H 1.740 0.020 2 658 71 93 LEU HB3 H 1.363 0.020 2 659 71 93 LEU HG H 1.595 0.020 1 660 71 93 LEU HD1 H 0.819 0.020 2 661 71 93 LEU HD2 H 0.632 0.020 2 662 71 93 LEU CA C 57.624 0.400 1 663 71 93 LEU CB C 41.836 0.400 1 664 71 93 LEU CG C 28.717 0.400 1 665 71 93 LEU CD1 C 25.430 0.400 1 666 71 93 LEU CD2 C 24.015 0.400 1 667 71 93 LEU N N 119.824 0.400 1 668 72 94 ASP H H 7.484 0.020 1 669 72 94 ASP HA H 4.700 0.020 1 670 72 94 ASP HB2 H 2.764 0.020 2 671 72 94 ASP HB3 H 2.538 0.020 2 672 72 94 ASP CA C 54.747 0.400 1 673 72 94 ASP CB C 42.132 0.400 1 674 72 94 ASP N N 114.964 0.400 1 675 73 95 THR H H 7.221 0.020 1 676 73 95 THR HA H 3.631 0.020 1 677 73 95 THR HB H 3.819 0.020 1 678 73 95 THR HG2 H 1.326 0.020 1 679 73 95 THR CA C 66.672 0.400 1 680 73 95 THR CB C 70.826 0.400 1 681 73 95 THR CG2 C 21.863 0.400 1 682 73 95 THR N N 117.178 0.400 1 683 74 96 GLU H H 8.657 0.020 1 684 74 96 GLU HA H 4.531 0.020 1 685 74 96 GLU HB2 H 1.913 0.020 1 686 74 96 GLU HB3 H 1.913 0.020 1 687 74 96 GLU HG2 H 2.291 0.020 1 688 74 96 GLU HG3 H 2.291 0.020 1 689 74 96 GLU CA C 57.048 0.400 1 690 74 96 GLU CB C 30.940 0.400 1 691 74 96 GLU CG C 37.373 0.400 1 692 74 96 GLU N N 128.597 0.400 1 693 75 97 ILE H H 7.585 0.020 1 694 75 97 ILE HA H 4.423 0.020 1 695 75 97 ILE HB H 1.597 0.020 1 696 75 97 ILE HG12 H 0.624 0.020 1 697 75 97 ILE HG13 H 0.624 0.020 1 698 75 97 ILE HG2 H 0.696 0.020 1 699 75 97 ILE HD1 H 0.445 0.020 1 700 75 97 ILE CA C 59.447 0.400 1 701 75 97 ILE CB C 40.925 0.400 1 702 75 97 ILE CG1 C 26.264 0.400 1 703 75 97 ILE CG2 C 19.983 0.400 1 704 75 97 ILE CD1 C 13.912 0.400 1 705 75 97 ILE N N 118.845 0.400 1 706 76 98 LYS H H 8.969 0.020 1 707 76 98 LYS HA H 4.108 0.020 1 708 76 98 LYS HB2 H 1.540 0.020 1 709 76 98 LYS HB3 H 1.540 0.020 1 710 76 98 LYS HG2 H 1.219 0.020 2 711 76 98 LYS HG3 H 1.103 0.020 2 712 76 98 LYS HD2 H 1.441 0.020 1 713 76 98 LYS HD3 H 1.441 0.020 1 714 76 98 LYS HE2 H 2.855 0.020 1 715 76 98 LYS HE3 H 2.855 0.020 1 716 76 98 LYS CA C 54.626 0.400 1 717 76 98 LYS CB C 35.666 0.400 1 718 76 98 LYS CG C 24.707 0.400 1 719 76 98 LYS CD C 29.354 0.400 1 720 76 98 LYS CE C 42.837 0.400 1 721 76 98 LYS N N 124.786 0.400 1 722 77 99 ASP H H 7.755 0.020 1 723 77 99 ASP HA H 4.307 0.020 1 724 77 99 ASP HB2 H 2.592 0.020 2 725 77 99 ASP HB3 H 2.409 0.020 2 726 77 99 ASP CA C 56.568 0.400 1 727 77 99 ASP CB C 42.113 0.400 1 728 77 99 ASP N N 116.281 0.400 1 729 78 100 ASP H H 9.100 0.020 1 730 78 100 ASP CA C 56.227 0.400 1 731 78 100 ASP CB C 40.951 0.400 1 732 78 100 ASP N N 119.850 0.400 1 733 79 101 ASP H H 8.070 0.020 1 734 79 101 ASP HA H 4.728 0.020 1 735 79 101 ASP HB2 H 2.162 0.020 1 736 79 101 ASP HB3 H 2.162 0.020 1 737 79 101 ASP CA C 56.530 0.400 1 738 79 101 ASP CB C 42.202 0.400 1 739 79 101 ASP N N 120.887 0.400 1 740 80 102 LYS H H 8.119 0.020 1 741 80 102 LYS HA H 4.956 0.020 1 742 80 102 LYS HB2 H 1.776 0.020 2 743 80 102 LYS HB3 H 1.334 0.020 2 744 80 102 LYS HG2 H 1.339 0.020 1 745 80 102 LYS HG3 H 1.339 0.020 1 746 80 102 LYS CA C 54.737 0.400 1 747 80 102 LYS CB C 34.071 0.400 1 748 80 102 LYS CG C 25.751 0.400 1 749 80 102 LYS CD C 29.084 0.400 1 750 80 102 LYS CE C 42.574 0.400 1 751 80 102 LYS N N 118.348 0.400 1 752 81 103 ILE H H 9.387 0.020 1 753 81 103 ILE HA H 5.220 0.020 1 754 81 103 ILE HB H 1.696 0.020 1 755 81 103 ILE HG12 H 1.253 0.020 2 756 81 103 ILE HG13 H 1.047 0.020 2 757 81 103 ILE HG2 H 0.625 0.020 1 758 81 103 ILE HD1 H 0.675 0.020 1 759 81 103 ILE CA C 59.818 0.400 1 760 81 103 ILE CB C 40.748 0.400 1 761 81 103 ILE CG1 C 30.367 0.400 1 762 81 103 ILE CG2 C 19.038 0.400 1 763 81 103 ILE CD1 C 16.224 0.400 1 764 81 103 ILE N N 128.260 0.400 1 765 82 104 ASP H H 8.944 0.020 1 766 82 104 ASP HA H 5.227 0.020 1 767 82 104 ASP HB2 H 2.424 0.020 1 768 82 104 ASP HB3 H 2.424 0.020 1 769 82 104 ASP CA C 54.705 0.400 1 770 82 104 ASP CB C 46.608 0.400 1 771 82 104 ASP N N 126.215 0.400 1 772 83 105 LEU H H 8.349 0.020 1 773 83 105 LEU HA H 4.759 0.020 1 774 83 105 LEU HB2 H 1.286 0.020 2 775 83 105 LEU HB3 H 1.718 0.020 2 776 83 105 LEU HG H 1.464 0.020 1 777 83 105 LEU HD1 H 0.820 0.020 2 778 83 105 LEU HD2 H 0.793 0.020 2 779 83 105 LEU CA C 54.539 0.400 1 780 83 105 LEU CB C 45.224 0.400 1 781 83 105 LEU CG C 27.873 0.400 1 782 83 105 LEU CD1 C 27.536 0.400 1 783 83 105 LEU CD2 C 27.314 0.400 1 784 83 105 LEU N N 121.176 0.400 1 785 84 106 PHE H H 8.946 0.020 1 786 84 106 PHE HA H 5.072 0.020 1 787 84 106 PHE HB2 H 3.152 0.020 2 788 84 106 PHE HB3 H 2.797 0.020 2 789 84 106 PHE CA C 55.579 0.400 1 790 84 106 PHE CB C 39.977 0.400 1 791 84 106 PHE N N 121.527 0.400 1 792 85 107 PRO HA H 4.714 0.020 1 793 85 107 PRO HB2 H 2.115 0.020 2 794 85 107 PRO HB3 H 2.029 0.020 2 795 85 107 PRO HG2 H 1.951 0.020 2 796 85 107 PRO HG3 H 1.884 0.020 2 797 85 107 PRO HD2 H 3.793 0.020 2 798 85 107 PRO HD3 H 3.832 0.020 2 799 85 107 PRO CA C 62.104 0.400 1 800 85 107 PRO CB C 28.135 0.400 1 801 85 107 PRO CD C 51.168 0.400 1 802 86 108 PRO HA H 3.968 0.020 1 803 86 108 PRO HB2 H 1.449 0.020 2 804 86 108 PRO HB3 H 1.811 0.020 2 805 86 108 PRO HG2 H 1.372 0.020 2 806 86 108 PRO HG3 H 1.635 0.020 2 807 86 108 PRO HD2 H 3.592 0.020 2 808 86 108 PRO HD3 H 3.384 0.020 2 809 86 108 PRO CA C 63.783 0.400 1 810 86 108 PRO CB C 32.325 0.400 1 811 86 108 PRO CG C 28.984 0.400 1 812 86 108 PRO CD C 51.189 0.400 1 813 87 109 VAL H H 7.908 0.020 1 814 87 109 VAL HA H 3.915 0.020 1 815 87 109 VAL HB H 1.894 0.020 1 816 87 109 VAL HG1 H 0.801 0.020 2 817 87 109 VAL CA C 62.450 0.400 1 818 87 109 VAL CB C 33.388 0.400 1 819 87 109 VAL CG1 C 21.198 0.400 1 820 87 109 VAL N N 121.850 0.400 1 821 88 110 ALA H H 8.284 0.020 1 822 88 110 ALA HA H 4.151 0.020 1 823 88 110 ALA HB H 1.219 0.020 1 824 88 110 ALA CA C 52.911 0.400 1 825 88 110 ALA CB C 19.672 0.400 1 826 88 110 ALA N N 128.264 0.400 1 827 89 111 GLY H H 8.246 0.020 1 828 89 111 GLY HA2 H 3.790 0.020 1 829 89 111 GLY HA3 H 3.790 0.020 1 830 89 111 GLY CA C 45.654 0.400 1 831 89 111 GLY N N 108.853 0.400 1 832 90 112 GLY H H 8.180 0.020 1 833 90 112 GLY HA2 H 3.381 0.020 2 834 90 112 GLY HA3 H 4.135 0.020 2 835 90 112 GLY CA C 45.763 0.400 1 836 90 112 GLY N N 108.874 0.400 1 stop_ save_