data_50173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rab1b bound to GDP ; _BMRB_accession_number 50173 _BMRB_flat_file_name bmr50173.str _Entry_type original _Submission_date 2020-01-28 _Accession_date 2020-01-28 _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 Kang Hyun-Seo . . 2 Barthelmes Katja . . 3 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "13C chemical shifts" 382 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-30 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50172 'Rab1b bound to GTP' 50174 'Rab1b bound to GTP (AMPylation at Y77)' 50175 'Rab1b bound to GDP (AMPylation at Y77)' 50176 'Rab1b bound to GTP (Phosphocholination at S76)' 50177 'Rab1b bound to GDP (Phosphocholination at S76)' stop_ _Original_release_date 2020-01-28 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Control of Small GTPases by AMPylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32123090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barthelmes Katja . . 2 Ramcke Evelyn . . 3 Kang Hyun-Seo . . 4 Sattler Michael . . 5 Itzen Aymelt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 117 _Journal_issue 11 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5772 _Page_last 5781 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name Rab1b:GDP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rab1b $entity_1_Rab1b GDP $entity_GDP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Rab1 bound to GDP' save_ ######################## # Monomeric polymers # ######################## save_entity_1_Rab1b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1_Rab1b _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MPEYDYLFKLLLIGDSGVGK SCLLLRFADDTYTESYISTI GVDFKIRTIELDGKTIKLQI WDTAGAERFRTITSSYYRGA HGIIVVYDVTDQESYANVKQ WLQEIDRYASENVNKLLVGN KSDLTTKKVVDNTTAKEFAD SLGIPFLETSAKNATNVEQA FMTMAAEIKKRMG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 MET 2 3 PRO 3 4 GLU 4 5 TYR 5 6 ASP 6 7 TYR 7 8 LEU 8 9 PHE 9 10 LYS 10 11 LEU 11 12 LEU 12 13 LEU 13 14 ILE 14 15 GLY 15 16 ASP 16 17 SER 17 18 GLY 18 19 VAL 19 20 GLY 20 21 LYS 21 22 SER 22 23 CYS 23 24 LEU 24 25 LEU 25 26 LEU 26 27 ARG 27 28 PHE 28 29 ALA 29 30 ASP 30 31 ASP 31 32 THR 32 33 TYR 33 34 THR 34 35 GLU 35 36 SER 36 37 TYR 37 38 ILE 38 39 SER 39 40 THR 40 41 ILE 41 42 GLY 42 43 VAL 43 44 ASP 44 45 PHE 45 46 LYS 46 47 ILE 47 48 ARG 48 49 THR 49 50 ILE 50 51 GLU 51 52 LEU 52 53 ASP 53 54 GLY 54 55 LYS 55 56 THR 56 57 ILE 57 58 LYS 58 59 LEU 59 60 GLN 60 61 ILE 61 62 TRP 62 63 ASP 63 64 THR 64 65 ALA 65 66 GLY 66 67 ALA 67 68 GLU 68 69 ARG 69 70 PHE 70 71 ARG 71 72 THR 72 73 ILE 73 74 THR 74 75 SER 75 76 SER 76 77 TYR 77 78 TYR 78 79 ARG 79 80 GLY 80 81 ALA 81 82 HIS 82 83 GLY 83 84 ILE 84 85 ILE 85 86 VAL 86 87 VAL 87 88 TYR 88 89 ASP 89 90 VAL 90 91 THR 91 92 ASP 92 93 GLN 93 94 GLU 94 95 SER 95 96 TYR 96 97 ALA 97 98 ASN 98 99 VAL 99 100 LYS 100 101 GLN 101 102 TRP 102 103 LEU 103 104 GLN 104 105 GLU 105 106 ILE 106 107 ASP 107 108 ARG 108 109 TYR 109 110 ALA 110 111 SER 111 112 GLU 112 113 ASN 113 114 VAL 114 115 ASN 115 116 LYS 116 117 LEU 117 118 LEU 118 119 VAL 119 120 GLY 120 121 ASN 121 122 LYS 122 123 SER 123 124 ASP 124 125 LEU 125 126 THR 126 127 THR 127 128 LYS 128 129 LYS 129 130 VAL 130 131 VAL 131 132 ASP 132 133 ASN 133 134 THR 134 135 THR 135 136 ALA 136 137 LYS 137 138 GLU 138 139 PHE 139 140 ALA 140 141 ASP 141 142 SER 142 143 LEU 143 144 GLY 144 145 ILE 145 146 PRO 146 147 PHE 147 148 LEU 148 149 GLU 149 150 THR 150 151 SER 151 152 ALA 152 153 LYS 153 154 ASN 154 155 ALA 155 156 THR 156 157 ASN 157 158 VAL 158 159 GLU 159 160 GLN 160 161 ALA 161 162 PHE 162 163 MET 163 164 THR 164 165 MET 165 166 ALA 166 167 ALA 167 168 GLU 168 169 ILE 169 170 LYS 170 171 LYS 171 172 ARG 172 173 MET 173 174 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "entity_GDP (GUANOSINE-5'-DIPHOSPHATE)" _BMRB_code GDP _PDB_code GDP _Molecular_mass 443.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1_Rab1b Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1_Rab1b 'recombinant technology' . Escherichia coli . plasmid pMAL 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_Rab1b 0.3 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' DTE 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' MgCl2 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.05 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_DSS _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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_chemical_shifts_1_Rab1b-GDP _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1_DSS _Mol_system_component_name Rab1b _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 3 2 PRO C C 179.442 0.000 1 2 3 2 PRO CA C 65.598 0.013 1 3 3 2 PRO CB C 34.601 0.000 1 4 4 3 GLU H H 8.529 0.018 1 5 4 3 GLU C C 178.008 0.011 1 6 4 3 GLU CA C 59.754 0.022 1 7 4 3 GLU CB C 32.894 0.045 1 8 4 3 GLU N N 122.191 0.095 1 9 5 4 TYR H H 7.050 0.011 1 10 5 4 TYR C C 176.299 0.042 1 11 5 4 TYR CA C 58.294 0.007 1 12 5 4 TYR N N 114.972 0.075 1 13 6 5 ASP H H 8.997 0.015 1 14 6 5 ASP C C 178.106 0.018 1 15 6 5 ASP CA C 59.382 0.041 1 16 6 5 ASP N N 120.505 0.113 1 17 7 6 TYR H H 7.733 0.012 1 18 7 6 TYR C C 175.291 0.031 1 19 7 6 TYR CA C 59.078 0.037 1 20 7 6 TYR CB C 46.469 0.000 1 21 7 6 TYR N N 116.075 0.094 1 22 8 7 LEU H H 8.362 0.020 1 23 8 7 LEU C C 178.452 0.018 1 24 8 7 LEU CA C 56.652 0.009 1 25 8 7 LEU N N 126.215 0.094 1 26 9 8 PHE H H 8.687 0.014 1 27 9 8 PHE C C 176.730 0.046 1 28 9 8 PHE CA C 53.705 0.027 1 29 9 8 PHE N N 125.121 0.124 1 30 10 9 LYS H H 11.662 0.021 1 31 10 9 LYS N N 129.687 0.203 1 32 15 14 GLY C C 175.357 0.000 1 33 15 14 GLY CA C 75.392 0.000 1 34 16 15 ASP H H 9.066 0.023 1 35 16 15 ASP C C 179.580 0.012 1 36 16 15 ASP CA C 58.508 0.015 1 37 16 15 ASP CB C 43.264 0.000 1 38 16 15 ASP N N 123.929 0.126 1 39 17 16 SER H H 8.826 0.017 1 40 17 16 SER C C 178.796 0.000 1 41 17 16 SER CA C 62.950 0.017 1 42 17 16 SER CB C 66.196 0.000 1 43 17 16 SER N N 116.656 0.129 1 44 18 17 GLY H H 11.203 0.010 1 45 18 17 GLY C C 177.205 0.000 1 46 18 17 GLY CA C 48.475 0.030 1 47 18 17 GLY N N 117.740 0.061 1 48 19 18 VAL H H 7.579 0.012 1 49 19 18 VAL C C 177.010 0.010 1 50 19 18 VAL CA C 65.733 0.003 1 51 19 18 VAL CB C 34.359 0.000 1 52 19 18 VAL N N 113.680 0.099 1 53 20 19 GLY H H 8.428 0.023 1 54 20 19 GLY C C 177.075 0.009 1 55 20 19 GLY CA C 48.703 0.003 1 56 20 19 GLY N N 110.143 0.166 1 57 21 20 LYS H H 10.464 0.017 1 58 21 20 LYS CA C 63.671 0.016 1 59 21 20 LYS N N 125.137 0.083 1 60 22 21 SER H H 9.369 0.043 1 61 22 21 SER C C 179.321 0.000 1 62 22 21 SER CA C 65.389 0.035 1 63 22 21 SER N N 119.602 0.286 1 64 23 22 CYS H H 9.663 0.032 1 65 23 22 CYS C C 181.770 0.000 1 66 23 22 CYS CA C 67.249 0.007 1 67 23 22 CYS N N 122.151 0.186 1 68 24 23 LEU H H 9.328 0.016 1 69 24 23 LEU C C 180.553 0.026 1 70 24 23 LEU CA C 62.062 0.049 1 71 24 23 LEU N N 127.181 0.130 1 72 25 24 LEU H H 7.995 0.008 1 73 25 24 LEU C C 181.024 0.000 1 74 25 24 LEU CA C 61.533 0.024 1 75 25 24 LEU CB C 43.264 0.000 1 76 25 24 LEU N N 120.574 0.113 1 77 26 25 LEU H H 8.821 0.029 1 78 26 25 LEU C C 182.829 0.000 1 79 26 25 LEU CA C 60.954 0.028 1 80 26 25 LEU N N 120.265 0.109 1 81 27 26 ARG H H 8.514 0.038 1 82 27 26 ARG C C 180.681 0.038 1 83 27 26 ARG CA C 60.320 0.043 1 84 27 26 ARG N N 120.152 0.145 1 85 28 27 PHE H H 8.223 0.013 1 86 28 27 PHE C C 178.964 0.034 1 87 28 27 PHE CA C 62.778 0.052 1 88 28 27 PHE N N 120.239 0.131 1 89 29 28 ALA H H 9.132 0.014 1 90 29 28 ALA C C 180.341 0.026 1 91 29 28 ALA CA C 57.462 0.026 1 92 29 28 ALA CB C 21.649 0.041 1 93 29 28 ALA N N 118.897 0.089 1 94 30 29 ASP H H 7.743 0.020 1 95 30 29 ASP C C 178.512 0.020 1 96 30 29 ASP CA C 56.584 0.026 1 97 30 29 ASP CB C 45.361 0.034 1 98 30 29 ASP N N 115.180 0.099 1 99 31 30 ASP H H 7.770 0.016 1 100 31 30 ASP C C 177.276 0.033 1 101 31 30 ASP CA C 57.857 0.034 1 102 31 30 ASP CB C 42.538 0.000 1 103 31 30 ASP N N 121.856 0.051 1 104 32 31 THR H H 7.062 0.014 1 105 32 31 THR C C 175.615 0.011 1 106 32 31 THR CA C 62.203 0.073 1 107 32 31 THR CB C 74.495 0.013 1 108 32 31 THR N N 107.829 0.041 1 109 33 32 TYR H H 8.104 0.020 1 110 33 32 TYR C C 175.996 0.007 1 111 33 32 TYR CA C 61.512 0.037 1 112 33 32 TYR CB C 44.341 0.034 1 113 33 32 TYR N N 120.149 0.205 1 114 34 33 THR H H 7.495 0.021 1 115 34 33 THR C C 173.616 0.000 1 116 34 33 THR CA C 61.613 0.027 1 117 34 33 THR CB C 72.822 0.033 1 118 34 33 THR N N 124.091 0.081 1 119 35 34 GLU H H 8.286 0.015 1 120 35 34 GLU C C 179.745 0.010 1 121 35 34 GLU CA C 58.985 0.024 1 122 35 34 GLU CB C 32.087 0.075 1 123 35 34 GLU N N 124.017 0.094 1 124 36 35 SER H H 7.984 0.021 1 125 36 35 SER C C 175.726 0.000 1 126 36 35 SER CA C 61.238 0.089 1 127 36 35 SER CB C 66.399 0.027 1 128 36 35 SER N N 118.507 0.133 1 129 37 36 TYR H H 8.352 0.026 1 130 37 36 TYR C C 178.363 0.003 1 131 37 36 TYR CA C 61.462 0.025 1 132 37 36 TYR CB C 40.985 0.000 1 133 37 36 TYR N N 124.726 0.151 1 134 38 37 ILE H H 8.594 0.021 1 135 38 37 ILE CA C 62.742 0.000 1 136 38 37 ILE CB C 41.424 0.000 1 137 38 37 ILE N N 131.273 0.193 1 138 41 40 ILE C C 179.534 0.000 1 139 41 40 ILE CA C 64.869 0.000 1 140 42 41 GLY H H 8.564 0.022 1 141 42 41 GLY C C 175.427 0.006 1 142 42 41 GLY CA C 48.392 0.015 1 143 42 41 GLY N N 112.944 0.084 1 144 43 42 VAL H H 7.233 0.007 1 145 43 42 VAL C C 177.809 0.000 1 146 43 42 VAL CA C 62.359 0.075 1 147 43 42 VAL N N 115.057 0.080 1 148 44 43 ASP H H 8.409 0.025 1 149 44 43 ASP C C 177.138 0.000 1 150 44 43 ASP CA C 59.009 0.025 1 151 44 43 ASP N N 122.423 0.064 1 152 45 44 PHE H H 6.566 0.010 1 153 45 44 PHE C C 176.418 0.000 1 154 45 44 PHE CA C 56.949 0.013 1 155 45 44 PHE N N 110.844 0.032 1 156 46 45 LYS H H 8.481 0.008 1 157 46 45 LYS C C 177.226 0.028 1 158 46 45 LYS CA C 56.409 0.023 1 159 46 45 LYS N N 117.752 0.089 1 160 47 46 ILE H H 8.559 0.019 1 161 47 46 ILE C C 178.754 0.029 1 162 47 46 ILE CA C 61.190 0.046 1 163 47 46 ILE CB C 43.474 0.000 1 164 47 46 ILE N N 120.139 0.135 1 165 48 47 ARG H H 8.482 0.016 1 166 48 47 ARG C C 176.695 0.013 1 167 48 47 ARG CA C 58.249 0.013 1 168 48 47 ARG CB C 36.693 0.000 1 169 48 47 ARG N N 126.228 0.199 1 170 49 48 THR H H 8.768 0.022 1 171 49 48 THR C C 176.886 0.050 1 172 49 48 THR CA C 64.588 0.048 1 173 49 48 THR CB C 72.266 0.000 1 174 49 48 THR N N 124.409 0.111 1 175 50 49 ILE H H 9.247 0.013 1 176 50 49 ILE C C 175.970 0.024 1 177 50 49 ILE CA C 61.810 0.015 1 178 50 49 ILE CB C 44.937 0.000 1 179 50 49 ILE N N 122.283 0.072 1 180 51 50 GLU H H 8.338 0.017 1 181 51 50 GLU C C 178.269 0.014 1 182 51 50 GLU CA C 57.259 0.021 1 183 51 50 GLU CB C 34.747 0.000 1 184 51 50 GLU N N 122.390 0.183 1 185 52 51 LEU H H 8.763 0.010 1 186 52 51 LEU C C 178.671 0.000 1 187 52 51 LEU CA C 56.871 0.028 1 188 52 51 LEU CB C 48.710 0.000 1 189 52 51 LEU N N 125.819 0.124 1 190 53 52 ASP H H 9.424 0.021 1 191 53 52 ASP C C 178.635 0.019 1 192 53 52 ASP CA C 57.804 0.056 1 193 53 52 ASP CB C 42.536 0.000 1 194 53 52 ASP N N 125.799 0.102 1 195 54 53 GLY H H 8.907 0.018 1 196 54 53 GLY C C 176.600 0.027 1 197 54 53 GLY CA C 48.079 0.034 1 198 54 53 GLY N N 125.600 7.613 1 199 55 54 LYS H H 8.070 0.011 1 200 55 54 LYS C C 178.085 0.028 1 201 55 54 LYS CA C 55.353 0.008 1 202 55 54 LYS CB C 36.297 0.000 1 203 55 54 LYS N N 121.185 0.063 1 204 56 55 THR H H 9.907 0.014 1 205 56 55 THR C C 177.322 0.000 1 206 56 55 THR CA C 65.609 0.010 1 207 56 55 THR CB C 72.369 0.000 1 208 56 55 THR N N 120.795 0.109 1 209 57 56 ILE H H 9.448 0.011 1 210 57 56 ILE C C 176.350 0.036 1 211 57 56 ILE CA C 62.295 0.041 1 212 57 56 ILE N N 130.946 0.095 1 213 58 57 LYS H H 8.843 0.010 1 214 58 57 LYS C C 176.372 0.023 1 215 58 57 LYS CA C 58.439 0.029 1 216 58 57 LYS N N 130.220 0.077 1 217 59 58 LEU H H 8.766 0.016 1 218 59 58 LEU C C 177.145 0.019 1 219 59 58 LEU CA C 55.554 0.002 1 220 59 58 LEU N N 126.728 0.083 1 221 60 59 GLN H H 8.976 0.025 1 222 60 59 GLN C C 177.042 0.016 1 223 60 59 GLN CA C 57.264 0.016 1 224 60 59 GLN CB C 33.623 0.000 1 225 60 59 GLN N N 125.849 0.107 1 226 61 60 ILE H H 9.203 0.018 1 227 61 60 ILE C C 177.132 0.000 1 228 61 60 ILE CA C 63.894 0.000 1 229 61 60 ILE N N 128.087 0.100 1 230 62 61 TRP H H 9.582 0.015 1 231 62 61 TRP HE1 H 10.038 0.021 1 232 62 61 TRP N N 128.612 0.163 1 233 62 61 TRP NE1 N 130.596 0.129 1 234 63 62 ASP H H 8.105 0.017 1 235 63 62 ASP N N 120.154 0.230 1 236 80 79 GLY C C 176.450 0.000 1 237 80 79 GLY CA C 47.661 0.000 1 238 81 80 ALA H H 7.124 0.013 1 239 81 80 ALA C C 179.862 0.006 1 240 81 80 ALA CA C 55.304 0.008 1 241 81 80 ALA CB C 20.725 0.000 1 242 81 80 ALA N N 121.426 0.098 1 243 82 81 HIS H H 9.700 0.019 1 244 82 81 HIS C C 178.543 0.017 1 245 82 81 HIS CA C 62.444 0.058 1 246 82 81 HIS N N 123.327 0.093 1 247 83 82 GLY H H 7.704 0.014 1 248 83 82 GLY C C 173.930 0.000 1 249 83 82 GLY CA C 48.031 0.019 1 250 83 82 GLY N N 104.393 0.022 1 251 84 83 ILE H H 8.910 0.010 1 252 84 83 ILE C C 175.885 0.012 1 253 84 83 ILE CA C 62.976 0.022 1 254 84 83 ILE N N 124.253 0.053 1 255 85 84 ILE H H 8.910 0.011 1 256 85 84 ILE C C 176.675 0.001 1 257 85 84 ILE CA C 63.230 0.028 1 258 85 84 ILE N N 129.123 0.154 1 259 86 85 VAL H H 9.117 0.022 1 260 86 85 VAL C C 176.529 0.040 1 261 86 85 VAL CA C 63.716 0.026 1 262 86 85 VAL N N 130.540 0.179 1 263 87 86 VAL H H 8.869 0.019 1 264 87 86 VAL C C 178.019 0.004 1 265 87 86 VAL CA C 62.879 0.018 1 266 87 86 VAL N N 128.351 0.116 1 267 88 87 TYR H H 9.125 0.009 1 268 88 87 TYR C C 173.191 0.000 1 269 88 87 TYR CA C 58.195 0.019 1 270 88 87 TYR CB C 42.651 0.000 1 271 88 87 TYR N N 123.514 0.111 1 272 89 88 ASP H H 8.886 0.013 1 273 89 88 ASP C C 180.593 0.021 1 274 89 88 ASP CA C 53.911 0.039 1 275 89 88 ASP N N 122.790 0.125 1 276 90 89 VAL H H 8.752 0.011 1 277 90 89 VAL C C 178.960 0.015 1 278 90 89 VAL CA C 66.819 0.010 1 279 90 89 VAL CB C 33.564 0.000 1 280 90 89 VAL N N 119.728 0.112 1 281 91 90 THR H H 9.497 0.019 1 282 91 90 THR C C 176.031 0.008 1 283 91 90 THR CA C 64.535 0.010 1 284 91 90 THR CB C 72.806 0.000 1 285 91 90 THR N N 114.294 0.082 1 286 92 91 ASP H H 8.316 0.008 1 287 92 91 ASP C C 178.375 0.010 1 288 92 91 ASP CA C 55.115 0.016 1 289 92 91 ASP CB C 45.657 0.000 1 290 92 91 ASP N N 125.266 0.128 1 291 93 92 GLN H H 9.199 0.019 1 292 93 92 GLN C C 180.713 0.025 1 293 93 92 GLN CA C 61.691 0.041 1 294 93 92 GLN CB C 31.041 0.000 1 295 93 92 GLN N N 128.076 0.127 1 296 94 93 GLU H H 8.311 0.012 1 297 94 93 GLU C C 180.821 0.047 1 298 94 93 GLU CA C 62.291 0.068 1 299 94 93 GLU CB C 31.233 0.000 1 300 94 93 GLU N N 121.695 0.174 1 301 95 94 SER H H 7.987 0.014 1 302 95 94 SER C C 178.846 0.000 1 303 95 94 SER CA C 63.909 0.020 1 304 95 94 SER CB C 66.278 0.000 1 305 95 94 SER N N 117.372 0.110 1 306 96 95 TYR H H 7.209 0.013 1 307 96 95 TYR C C 181.147 0.033 1 308 96 95 TYR CA C 62.762 0.043 1 309 96 95 TYR CB C 41.845 0.000 1 310 96 95 TYR N N 124.207 0.097 1 311 97 96 ALA H H 8.706 0.014 1 312 97 96 ALA C C 183.818 0.041 1 313 97 96 ALA CA C 57.886 0.026 1 314 97 96 ALA CB C 20.201 0.000 1 315 97 96 ALA N N 127.759 0.087 1 316 98 97 ASN H H 8.403 0.014 1 317 98 97 ASN C C 180.068 0.025 1 318 98 97 ASN CA C 56.749 0.052 1 319 98 97 ASN CB C 40.837 0.000 1 320 98 97 ASN N N 115.188 0.109 1 321 99 98 VAL H H 7.972 0.012 1 322 99 98 VAL C C 180.043 0.013 1 323 99 98 VAL CA C 70.298 0.043 1 324 99 98 VAL CB C 33.156 0.000 1 325 99 98 VAL N N 124.463 0.084 1 326 100 99 LYS H H 7.399 0.017 1 327 100 99 LYS C C 181.428 0.038 1 328 100 99 LYS CA C 63.250 0.023 1 329 100 99 LYS CB C 34.590 0.000 1 330 100 99 LYS N N 117.236 0.114 1 331 101 100 GLN H H 7.288 0.017 1 332 101 100 GLN C C 181.764 0.043 1 333 101 100 GLN CA C 61.268 0.037 1 334 101 100 GLN CB C 30.450 0.000 1 335 101 100 GLN N N 120.417 0.117 1 336 102 101 TRP H H 7.871 0.011 1 337 102 101 TRP C C 181.495 0.036 1 338 102 101 TRP CA C 63.118 0.025 1 339 102 101 TRP CB C 32.183 0.000 1 340 102 101 TRP N N 122.817 0.081 1 341 103 102 LEU H H 8.779 0.016 1 342 103 102 LEU C C 181.772 0.046 1 343 103 102 LEU CA C 60.989 0.039 1 344 103 102 LEU CB C 43.606 0.000 1 345 103 102 LEU N N 118.990 0.123 1 346 104 103 GLN H H 7.509 0.010 1 347 104 103 GLN C C 181.306 0.025 1 348 104 103 GLN CA C 61.644 0.048 1 349 104 103 GLN CB C 31.055 0.000 1 350 104 103 GLN N N 119.888 0.075 1 351 105 104 GLU H H 7.790 0.009 1 352 105 104 GLU C C 180.717 0.024 1 353 105 104 GLU CA C 62.564 0.035 1 354 105 104 GLU CB C 32.298 0.000 1 355 105 104 GLU N N 122.337 0.099 1 356 106 105 ILE H H 7.998 0.035 1 357 106 105 ILE C C 180.708 0.016 1 358 106 105 ILE CA C 68.374 0.016 1 359 106 105 ILE CB C 40.874 0.000 1 360 106 105 ILE N N 120.031 0.159 1 361 107 106 ASP H H 7.761 0.027 1 362 107 106 ASP C C 180.569 0.036 1 363 107 106 ASP CA C 59.618 0.010 1 364 107 106 ASP CB C 43.000 0.000 1 365 107 106 ASP N N 119.442 0.167 1 366 108 107 ARG H H 7.422 0.010 1 367 108 107 ARG C C 180.960 0.010 1 368 108 107 ARG CA C 61.144 0.051 1 369 108 107 ARG CB C 33.074 0.000 1 370 108 107 ARG N N 118.418 0.063 1 371 109 108 TYR H H 7.535 0.014 1 372 109 108 TYR C C 178.966 0.000 1 373 109 108 TYR CA C 60.419 0.050 1 374 109 108 TYR CB C 44.247 0.000 1 375 109 108 TYR N N 115.308 0.109 1 376 110 109 ALA H H 8.638 0.020 1 377 110 109 ALA C C 179.275 0.025 1 378 110 109 ALA CA C 53.802 0.023 1 379 110 109 ALA CB C 24.142 0.089 1 380 110 109 ALA N N 122.995 0.235 1 381 111 110 SER H H 8.751 0.041 1 382 111 110 SER C C 178.245 0.000 1 383 111 110 SER CA C 61.813 0.039 1 384 111 110 SER CB C 66.699 0.000 1 385 111 110 SER N N 116.354 0.111 1 386 112 111 GLU H H 9.016 0.010 1 387 112 111 GLU C C 179.452 0.000 1 388 112 111 GLU CA C 61.162 0.003 1 389 112 111 GLU N N 125.088 0.082 1 390 113 112 ASN H H 8.337 0.025 1 391 113 112 ASN C C 177.008 0.038 1 392 113 112 ASN CA C 55.418 0.043 1 393 113 112 ASN N N 116.669 0.179 1 394 114 113 VAL H H 7.063 0.032 1 395 114 113 VAL C C 176.840 0.018 1 396 114 113 VAL CA C 65.057 0.018 1 397 114 113 VAL CB C 34.612 0.000 1 398 114 113 VAL N N 120.006 0.094 1 399 115 114 ASN H H 7.751 0.010 1 400 115 114 ASN C C 177.253 0.008 1 401 115 114 ASN CA C 58.450 0.023 1 402 115 114 ASN CB C 43.680 0.000 1 403 115 114 ASN N N 125.415 0.153 1 404 116 115 LYS H H 8.448 0.014 1 405 116 115 LYS C C 177.092 0.014 1 406 116 115 LYS CA C 57.739 0.016 1 407 116 115 LYS CB C 39.617 0.000 1 408 116 115 LYS N N 121.332 0.134 1 409 117 116 LEU H H 7.707 0.015 1 410 117 116 LEU C C 175.387 0.000 1 411 117 116 LEU CA C 57.841 0.036 1 412 117 116 LEU CB C 49.892 0.000 1 413 117 116 LEU N N 121.677 0.102 1 414 118 117 LEU H H 8.681 0.013 1 415 118 117 LEU C C 176.193 0.000 1 416 118 117 LEU CA C 56.345 0.010 1 417 118 117 LEU N N 129.451 0.114 1 418 119 118 VAL H H 9.348 0.014 1 419 119 118 VAL CA C 62.222 0.048 1 420 119 118 VAL CB C 38.692 0.000 1 421 119 118 VAL N N 127.015 0.105 1 422 120 119 GLY H H 8.122 0.014 1 423 120 119 GLY CA C 47.045 0.021 1 424 120 119 GLY N N 113.455 0.152 1 425 121 120 ASN H H 9.104 0.012 1 426 121 120 ASN CA C 54.104 0.022 1 427 121 120 ASN CB C 44.170 0.000 1 428 121 120 ASN N N 124.378 0.084 1 429 122 121 LYS H H 7.246 0.020 1 430 122 121 LYS CA C 60.199 0.027 1 431 122 121 LYS N N 113.134 0.090 1 432 123 122 SER H H 8.956 0.017 1 433 123 122 SER CA C 63.348 0.051 1 434 123 122 SER CB C 66.068 0.000 1 435 123 122 SER N N 115.245 0.069 1 436 124 123 ASP H H 8.492 0.039 1 437 124 123 ASP CA C 56.981 0.007 1 438 124 123 ASP CB C 43.814 0.000 1 439 124 123 ASP N N 117.228 0.186 1 440 125 124 LEU H H 7.865 0.018 1 441 125 124 LEU CA C 55.508 0.013 1 442 125 124 LEU CB C 43.961 0.000 1 443 125 124 LEU N N 125.742 0.109 1 444 126 125 THR H H 7.831 0.014 1 445 126 125 THR CA C 68.422 0.000 1 446 126 125 THR CB C 71.183 0.000 1 447 126 125 THR N N 113.609 0.119 1 448 127 126 THR C C 177.899 0.000 1 449 127 126 THR CA C 66.029 0.010 1 450 128 127 LYS H H 7.298 0.010 1 451 128 127 LYS C C 177.750 0.015 1 452 128 127 LYS CA C 57.379 0.017 1 453 128 127 LYS CB C 34.598 0.000 1 454 128 127 LYS N N 120.463 0.070 1 455 129 128 LYS H H 7.030 0.014 1 456 129 128 LYS C C 178.906 0.025 1 457 129 128 LYS CA C 61.529 0.022 1 458 129 128 LYS CB C 36.212 0.000 1 459 129 128 LYS N N 122.442 0.095 1 460 130 129 VAL H H 8.787 0.018 1 461 130 129 VAL C C 177.913 0.003 1 462 130 129 VAL CA C 63.993 0.054 1 463 130 129 VAL CB C 36.635 0.000 1 464 130 129 VAL N N 120.875 0.192 1 465 131 130 VAL H H 7.560 0.024 1 466 131 130 VAL C C 177.914 0.023 1 467 131 130 VAL CA C 64.363 0.008 1 468 131 130 VAL CB C 34.227 0.000 1 469 131 130 VAL N N 124.614 0.178 1 470 132 131 ASP H H 8.620 0.017 1 471 132 131 ASP C C 179.203 0.000 1 472 132 131 ASP CA C 57.366 0.000 1 473 132 131 ASP CB C 44.706 0.000 1 474 132 131 ASP N N 130.586 0.130 1 475 133 132 ASN H H 8.806 0.023 1 476 133 132 ASN C C 179.800 0.000 1 477 133 132 ASN CA C 59.229 0.023 1 478 133 132 ASN N N 124.242 0.026 1 479 134 133 THR H H 8.425 0.018 1 480 134 133 THR C C 179.194 0.000 1 481 134 133 THR CA C 68.735 0.018 1 482 134 133 THR CB C 70.906 0.000 1 483 134 133 THR N N 116.938 0.098 1 484 135 134 THR H H 7.390 0.008 1 485 135 134 THR C C 178.757 0.026 1 486 135 134 THR CA C 68.603 0.050 1 487 135 134 THR CB C 71.516 0.000 1 488 135 134 THR N N 121.422 0.072 1 489 136 135 ALA H H 7.215 0.012 1 490 136 135 ALA C C 181.172 0.043 1 491 136 135 ALA CA C 57.339 0.013 1 492 136 135 ALA CB C 22.828 0.000 1 493 136 135 ALA N N 126.332 0.114 1 494 137 136 LYS H H 8.028 0.015 1 495 137 136 LYS C C 180.767 0.023 1 496 137 136 LYS CA C 61.906 0.016 1 497 137 136 LYS N N 119.359 0.150 1 498 138 137 GLU H H 7.861 0.014 1 499 138 137 GLU C C 182.462 0.037 1 500 138 137 GLU CA C 62.343 0.050 1 501 138 137 GLU CB C 31.777 0.000 1 502 138 137 GLU N N 119.695 0.139 1 503 139 138 PHE H H 7.810 0.013 1 504 139 138 PHE C C 180.910 0.035 1 505 139 138 PHE CA C 62.562 0.054 1 506 139 138 PHE CB C 41.711 0.000 1 507 139 138 PHE N N 122.882 0.141 1 508 140 139 ALA H H 8.905 0.013 1 509 140 139 ALA C C 182.991 0.043 1 510 140 139 ALA CA C 58.723 0.030 1 511 140 139 ALA CB C 20.729 0.000 1 512 140 139 ALA N N 126.636 0.122 1 513 141 140 ASP H H 9.360 0.017 1 514 141 140 ASP C C 183.032 0.035 1 515 141 140 ASP CA C 59.959 0.017 1 516 141 140 ASP CB C 42.378 0.000 1 517 141 140 ASP N N 119.774 0.113 1 518 142 141 SER H H 8.028 0.015 1 519 142 141 SER C C 177.810 0.013 1 520 142 141 SER CA C 64.184 0.034 1 521 142 141 SER CB C 65.347 0.000 1 522 142 141 SER N N 119.421 0.156 1 523 143 142 LEU H H 7.179 0.019 1 524 143 142 LEU C C 180.094 0.043 1 525 143 142 LEU CA C 57.090 0.029 1 526 143 142 LEU CB C 46.350 0.000 1 527 143 142 LEU N N 122.784 0.093 1 528 144 143 GLY H H 8.004 0.018 1 529 144 143 GLY C C 177.578 0.033 1 530 144 143 GLY CA C 48.914 0.007 1 531 144 143 GLY N N 111.007 0.075 1 532 145 144 ILE H H 7.833 0.012 1 533 145 144 ILE C C 175.506 0.000 1 534 145 144 ILE CA C 60.711 0.000 1 535 145 144 ILE CB C 42.154 0.000 1 536 145 144 ILE N N 117.390 0.094 1 537 146 145 PRO C C 176.812 0.000 1 538 146 145 PRO CA C 65.061 0.004 1 539 147 146 PHE H H 7.907 0.019 1 540 147 146 PHE C C 177.378 0.006 1 541 147 146 PHE CA C 57.939 0.015 1 542 147 146 PHE CB C 34.269 0.000 1 543 147 146 PHE N N 121.052 0.135 1 544 148 147 LEU H H 8.042 0.011 1 545 148 147 LEU C C 176.128 0.033 1 546 148 147 LEU CA C 57.266 0.006 1 547 148 147 LEU CB C 49.737 0.000 1 548 148 147 LEU N N 129.428 0.110 1 549 149 148 GLU H H 8.022 0.018 1 550 149 148 GLU C C 180.168 0.008 1 551 149 148 GLU CA C 56.889 0.012 1 552 149 148 GLU CB C 34.891 0.000 1 553 149 148 GLU N N 118.380 0.185 1 554 150 149 THR H H 9.281 0.016 1 555 150 149 THR C C 177.805 0.037 1 556 150 149 THR CA C 62.657 0.029 1 557 150 149 THR CB C 76.478 0.012 1 558 150 149 THR N N 114.653 0.080 1 559 151 150 SER H H 8.218 0.008 1 560 151 150 SER C C 178.517 0.000 1 561 151 150 SER CA C 59.419 0.022 1 562 151 150 SER CB C 67.219 0.000 1 563 151 150 SER N N 112.697 0.077 1 564 152 151 ALA H H 9.059 0.020 1 565 152 151 ALA C C 180.795 0.024 1 566 152 151 ALA CA C 58.742 0.020 1 567 152 151 ALA N N 134.271 0.053 1 568 153 152 LYS H H 7.117 0.026 1 569 153 152 LYS C C 179.526 0.000 1 570 153 152 LYS CA C 61.117 0.055 1 571 153 152 LYS N N 119.074 0.125 1 572 154 153 ASN H H 7.983 0.011 1 573 154 153 ASN C C 177.851 0.008 1 574 154 153 ASN CA C 54.803 0.046 1 575 154 153 ASN CB C 40.735 0.039 1 576 154 153 ASN N N 115.490 0.160 1 577 155 154 ALA H H 7.771 0.010 1 578 155 154 ALA C C 178.894 0.032 1 579 155 154 ALA CA C 57.689 0.049 1 580 155 154 ALA CB C 19.871 0.003 1 581 155 154 ALA N N 120.146 0.062 1 582 156 155 THR H H 8.105 0.014 1 583 156 155 THR C C 177.589 0.019 1 584 156 155 THR CA C 67.020 0.007 1 585 156 155 THR CB C 71.734 0.000 1 586 156 155 THR N N 118.557 0.091 1 587 157 156 ASN H H 9.388 0.018 1 588 157 156 ASN C C 177.185 0.040 1 589 157 156 ASN CA C 57.042 0.071 1 590 157 156 ASN CB C 39.680 0.015 1 591 157 156 ASN N N 122.100 0.136 1 592 158 157 VAL H H 7.695 0.011 1 593 158 157 VAL C C 179.789 0.030 1 594 158 157 VAL CA C 71.056 0.056 1 595 158 157 VAL CB C 33.376 0.070 1 596 158 157 VAL N N 123.248 0.067 1 597 159 158 GLU H H 8.778 0.013 1 598 159 158 GLU C C 181.468 0.028 1 599 159 158 GLU CA C 63.187 0.018 1 600 159 158 GLU CB C 31.809 0.000 1 601 159 158 GLU N N 120.734 0.096 1 602 160 159 GLN H H 8.510 0.019 1 603 160 159 GLN C C 181.171 0.019 1 604 160 159 GLN CA C 61.876 0.048 1 605 160 159 GLN CB C 30.164 0.000 1 606 160 159 GLN N N 117.958 0.212 1 607 161 160 ALA H H 8.194 0.016 1 608 161 160 ALA C C 180.571 0.031 1 609 161 160 ALA CA C 58.441 0.022 1 610 161 160 ALA N N 125.453 0.131 1 611 162 161 PHE H H 7.030 0.021 1 612 162 161 PHE C C 180.899 0.000 1 613 162 161 PHE CA C 65.544 0.010 1 614 162 161 PHE CB C 42.576 0.000 1 615 162 161 PHE N N 115.109 0.110 1 616 163 162 MET H H 8.850 0.017 1 617 163 162 MET C C 181.906 0.033 1 618 163 162 MET CA C 60.856 0.042 1 619 163 162 MET N N 118.981 0.121 1 620 164 163 THR H H 8.585 0.021 1 621 164 163 THR C C 178.531 0.000 1 622 164 163 THR CA C 69.712 0.037 1 623 164 163 THR CB C 71.205 0.000 1 624 164 163 THR N N 119.510 0.169 1 625 165 164 MET H H 7.491 0.018 1 626 165 164 MET C C 179.552 0.032 1 627 165 164 MET CA C 60.929 0.030 1 628 165 164 MET CB C 34.854 0.000 1 629 165 164 MET N N 121.086 0.119 1 630 166 165 ALA H H 8.404 0.024 1 631 166 165 ALA C C 180.745 0.028 1 632 166 165 ALA CA C 58.342 0.019 1 633 166 165 ALA CB C 21.463 0.000 1 634 166 165 ALA N N 120.820 0.155 1 635 167 166 ALA H H 8.353 0.019 1 636 167 166 ALA C C 183.542 0.045 1 637 167 166 ALA CA C 57.825 0.009 1 638 167 166 ALA CB C 20.922 0.000 1 639 167 166 ALA N N 120.468 0.115 1 640 168 167 GLU H H 8.185 0.016 1 641 168 167 GLU C C 181.951 0.036 1 642 168 167 GLU CA C 61.777 0.023 1 643 168 167 GLU CB C 32.012 0.000 1 644 168 167 GLU N N 120.401 0.094 1 645 169 168 ILE H H 7.939 0.012 1 646 169 168 ILE C C 180.872 0.026 1 647 169 168 ILE CA C 67.148 0.043 1 648 169 168 ILE CB C 41.269 0.000 1 649 169 168 ILE N N 122.123 0.086 1 650 170 169 LYS H H 8.215 0.027 1 651 170 169 LYS C C 181.026 0.000 1 652 170 169 LYS CA C 62.798 0.046 1 653 170 169 LYS CB C 34.954 0.000 1 654 170 169 LYS N N 120.307 0.086 1 655 171 170 LYS H H 7.739 0.016 1 656 171 170 LYS C C 180.673 0.041 1 657 171 170 LYS CA C 61.935 0.037 1 658 171 170 LYS CB C 35.228 0.000 1 659 171 170 LYS N N 119.180 0.093 1 660 172 171 ARG H H 7.472 0.026 1 661 172 171 ARG C C 180.101 0.031 1 662 172 171 ARG CA C 59.964 0.036 1 663 172 171 ARG CB C 32.976 0.000 1 664 172 171 ARG N N 118.441 0.112 1 665 173 172 MET H H 8.034 0.012 1 666 173 172 MET C C 179.257 0.021 1 667 173 172 MET CA C 58.725 0.022 1 668 173 172 MET CB C 34.833 0.000 1 669 173 172 MET N N 119.462 0.087 1 670 174 173 GLY H H 7.892 0.013 1 671 174 173 GLY CA C 49.107 0.000 1 672 174 173 GLY N N 115.099 0.103 1 stop_ save_