data_50177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rab1b bound to GDP (Phosphocholination at S76) ; _BMRB_accession_number 50177 _BMRB_flat_file_name bmr50177.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" 159 "13C chemical shifts" 378 "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' 50173 'Rab1b bound to GDP' 50174 'Rab1b bound to GTP (AMPylation at Y77)' 50175 'Rab1b bound to GDP (AMPylation at Y77)' 50176 'Rab1b bound to GTP (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 PC(Y77)-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 (Phosphocholination at S76)' 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_ ############################# # 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_ ####################### # 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_PC-S76-Rab1b:GDP _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' 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 175.420 0.000 1 2 3 2 PRO CA C 65.592 0.000 1 3 3 2 PRO CB C 34.664 0.000 1 4 4 3 GLU H H 8.507 0.000 1 5 4 3 GLU HA H 4.306 0.000 1 6 4 3 GLU C C 174.024 0.000 1 7 4 3 GLU CA C 59.696 0.000 1 8 4 3 GLU CB C 32.952 0.000 1 9 4 3 GLU N N 122.197 0.000 1 10 5 4 TYR H H 7.066 0.000 1 11 5 4 TYR HA H 4.109 0.000 1 12 5 4 TYR HE1 H 6.697 0.000 1 13 5 4 TYR HE2 H 6.697 0.000 1 14 5 4 TYR C C 172.448 0.000 1 15 5 4 TYR CA C 58.280 0.000 1 16 5 4 TYR CB C 41.441 0.000 1 17 5 4 TYR N N 115.094 0.000 1 18 6 5 ASP H H 9.037 0.000 1 19 6 5 ASP HA H 4.538 0.000 1 20 6 5 ASP HB2 H 2.686 0.000 2 21 6 5 ASP HB3 H 2.940 0.000 2 22 6 5 ASP C C 174.167 0.000 1 23 6 5 ASP CA C 59.468 0.000 1 24 6 5 ASP N N 120.678 0.000 1 25 7 6 TYR H H 7.740 0.000 1 26 7 6 TYR HA H 4.566 0.000 1 27 7 6 TYR HD1 H 7.012 0.000 1 28 7 6 TYR HD2 H 7.012 0.000 1 29 7 6 TYR HE1 H 6.713 0.000 1 30 7 6 TYR HE2 H 6.713 0.000 1 31 7 6 TYR C C 171.267 0.000 1 32 7 6 TYR CA C 59.027 0.000 1 33 7 6 TYR CB C 46.429 0.000 1 34 7 6 TYR N N 115.905 0.000 1 35 8 7 LEU H H 8.405 0.000 1 36 8 7 LEU HA H 4.783 0.000 1 37 8 7 LEU C C 174.542 0.000 1 38 8 7 LEU CB C 46.084 0.000 1 39 8 7 LEU N N 126.232 0.000 1 40 9 8 PHE H H 8.737 0.000 1 41 9 8 PHE HA H 5.132 0.000 1 42 9 8 PHE C C 173.022 0.000 1 43 9 8 PHE CA C 53.834 0.000 1 44 9 8 PHE N N 125.097 0.000 1 45 10 9 LYS H H 11.497 0.000 1 46 10 9 LYS C C 174.832 0.000 1 47 10 9 LYS CA C 58.368 0.000 1 48 10 9 LYS N N 127.848 0.000 1 49 11 10 LEU H H 9.635 0.000 1 50 11 10 LEU C C 174.008 0.000 1 51 11 10 LEU CA C 55.346 0.000 1 52 11 10 LEU N N 126.769 0.000 1 53 12 11 LEU H H 8.156 0.000 1 54 12 11 LEU C C 173.885 0.000 1 55 12 11 LEU N N 122.551 0.000 1 56 13 12 LEU H H 8.281 0.000 1 57 13 12 LEU C C 174.174 0.000 1 58 13 12 LEU N N 124.031 0.000 1 59 14 13 ILE H H 8.799 0.000 1 60 14 13 ILE C C 171.335 0.000 1 61 14 13 ILE CA C 61.800 0.000 1 62 14 13 ILE N N 117.389 0.000 1 63 16 15 ASP H H 8.751 0.000 1 64 16 15 ASP C C 175.609 0.000 1 65 16 15 ASP CA C 58.598 0.000 1 66 16 15 ASP N N 121.513 0.000 1 67 17 16 SER H H 8.826 0.000 1 68 17 16 SER C C 174.776 0.000 1 69 17 16 SER CA C 63.114 0.000 1 70 17 16 SER N N 115.893 0.000 1 71 18 17 GLY H H 8.214 0.000 1 72 18 17 GLY C C 172.465 0.000 1 73 18 17 GLY CA C 48.404 0.000 1 74 18 17 GLY N N 112.663 0.000 1 75 19 18 VAL H H 7.471 0.000 1 76 19 18 VAL C C 173.231 0.000 1 77 19 18 VAL CA C 66.250 0.000 1 78 19 18 VAL N N 113.464 0.000 1 79 20 19 GLY H H 8.413 0.000 1 80 20 19 GLY C C 172.821 0.000 1 81 20 19 GLY CA C 48.764 0.000 1 82 20 19 GLY N N 108.269 0.000 1 83 21 20 LYS H H 9.072 0.000 1 84 21 20 LYS C C 175.815 0.000 1 85 21 20 LYS CA C 63.736 0.000 1 86 21 20 LYS N N 123.886 0.000 1 87 22 21 SER H H 9.094 0.000 1 88 22 21 SER C C 176.659 0.000 1 89 22 21 SER CA C 64.141 0.000 1 90 22 21 SER N N 117.544 0.000 1 91 23 22 CYS H H 9.364 0.000 1 92 23 22 CYS C C 176.720 0.000 1 93 23 22 CYS CA C 67.501 0.000 1 94 23 22 CYS CB C 29.690 0.000 1 95 23 22 CYS N N 122.418 0.000 1 96 24 23 LEU H H 9.114 0.000 1 97 24 23 LEU C C 176.869 0.000 1 98 24 23 LEU CA C 61.977 0.000 1 99 24 23 LEU N N 126.489 0.000 1 100 25 24 LEU H H 7.981 0.000 1 101 25 24 LEU C C 176.608 0.000 1 102 25 24 LEU CA C 60.453 0.000 1 103 25 24 LEU N N 120.073 0.000 1 104 26 25 LEU H H 8.896 0.000 1 105 26 25 LEU C C 178.863 0.000 1 106 26 25 LEU CA C 60.693 0.000 1 107 26 25 LEU N N 121.906 0.000 1 108 27 26 ARG H H 8.476 0.000 1 109 27 26 ARG C C 176.888 0.000 1 110 27 26 ARG CA C 60.203 0.000 1 111 27 26 ARG N N 120.519 0.000 1 112 28 27 PHE H H 8.256 0.000 1 113 28 27 PHE C C 175.010 0.000 1 114 28 27 PHE CA C 62.498 0.000 1 115 28 27 PHE N N 120.375 0.000 1 116 29 28 ALA H H 9.262 0.000 1 117 29 28 ALA C C 176.556 0.000 1 118 29 28 ALA CA C 57.129 0.000 1 119 29 28 ALA CB C 21.688 0.000 1 120 29 28 ALA N N 119.390 0.000 1 121 30 29 ASP H H 7.642 0.000 1 122 30 29 ASP C C 174.384 0.000 1 123 30 29 ASP CA C 56.601 0.000 1 124 30 29 ASP CB C 45.933 0.000 1 125 30 29 ASP N N 115.795 0.000 1 126 31 30 ASP H H 7.756 0.000 1 127 31 30 ASP C C 173.225 0.000 1 128 31 30 ASP CA C 57.785 0.000 1 129 31 30 ASP N N 121.764 0.000 1 130 32 31 THR H H 7.204 0.000 1 131 32 31 THR C C 170.035 0.000 1 132 32 31 THR CA C 62.511 0.000 1 133 32 31 THR CB C 73.672 0.000 1 134 32 31 THR N N 110.416 0.000 1 135 33 32 TYR H H 8.085 0.000 1 136 33 32 TYR CA C 61.057 0.000 1 137 33 32 TYR CB C 44.619 0.000 1 138 33 32 TYR N N 119.475 0.000 1 139 34 33 THR C C 169.548 0.000 1 140 34 33 THR CA C 61.199 0.000 1 141 35 34 GLU H H 8.389 0.000 1 142 35 34 GLU C C 177.293 0.000 1 143 35 34 GLU CA C 59.414 0.000 1 144 35 34 GLU CB C 32.930 0.000 1 145 35 34 GLU N N 125.148 0.000 1 146 36 35 SER H H 8.093 0.000 1 147 36 35 SER C C 171.184 0.000 1 148 36 35 SER CA C 61.721 0.000 1 149 36 35 SER CB C 65.908 0.000 1 150 36 35 SER N N 119.511 0.000 1 151 37 36 TYR H H 8.787 0.000 1 152 37 36 TYR CA C 57.006 0.000 1 153 37 36 TYR N N 125.522 0.000 1 154 38 37 ILE H H 8.773 0.000 1 155 38 37 ILE CA C 57.081 0.000 1 156 38 37 ILE N N 134.241 0.000 1 157 45 44 PHE C C 173.233 0.000 1 158 45 44 PHE CA C 58.563 0.000 1 159 46 45 LYS H H 8.482 0.000 1 160 46 45 LYS C C 172.346 0.000 1 161 46 45 LYS CA C 57.081 0.000 1 162 46 45 LYS N N 121.389 0.000 1 163 47 46 ILE H H 8.214 0.000 1 164 47 46 ILE C C 174.587 0.000 1 165 47 46 ILE CA C 61.220 0.000 1 166 47 46 ILE N N 119.115 0.000 1 167 48 47 ARG H H 8.513 0.000 1 168 48 47 ARG C C 172.693 0.000 1 169 48 47 ARG CA C 58.226 0.000 1 170 48 47 ARG CB C 37.108 0.000 1 171 48 47 ARG N N 126.103 0.000 1 172 49 48 THR H H 8.700 0.000 1 173 49 48 THR C C 172.936 0.000 1 174 49 48 THR CA C 64.550 0.000 1 175 49 48 THR CB C 72.116 0.000 1 176 49 48 THR N N 123.565 0.000 1 177 50 49 ILE H H 9.205 0.000 1 178 50 49 ILE C C 171.989 0.000 1 179 50 49 ILE CA C 61.896 0.000 1 180 50 49 ILE N N 121.815 0.000 1 181 51 50 GLU H H 8.312 0.000 1 182 51 50 GLU C C 174.185 0.000 1 183 51 50 GLU CA C 57.265 0.000 1 184 51 50 GLU CB C 34.714 0.000 1 185 51 50 GLU N N 122.447 0.000 1 186 52 51 LEU H H 8.796 0.000 1 187 52 51 LEU C C 174.624 0.000 1 188 52 51 LEU CA C 56.948 0.000 1 189 52 51 LEU N N 125.916 0.000 1 190 53 52 ASP H H 9.424 0.000 1 191 53 52 ASP C C 174.650 0.000 1 192 53 52 ASP CA C 57.844 0.000 1 193 53 52 ASP CB C 42.362 0.000 1 194 53 52 ASP N N 126.308 0.000 1 195 54 53 GLY H H 8.895 0.000 1 196 54 53 GLY C C 172.634 0.000 1 197 54 53 GLY CA C 48.082 0.000 1 198 54 53 GLY N N 105.502 0.000 1 199 55 54 LYS H H 8.061 0.000 1 200 55 54 LYS C C 174.110 0.000 1 201 55 54 LYS CA C 55.359 0.000 1 202 55 54 LYS CB C 36.412 0.000 1 203 55 54 LYS N N 121.148 0.000 1 204 56 55 THR H H 9.915 0.000 1 205 56 55 THR C C 173.332 0.000 1 206 56 55 THR CA C 65.632 0.000 1 207 56 55 THR CB C 71.963 0.000 1 208 56 55 THR N N 120.885 0.000 1 209 57 56 ILE H H 9.435 0.000 1 210 57 56 ILE C C 172.483 0.000 1 211 57 56 ILE CA C 62.206 0.000 1 212 57 56 ILE CB C 42.548 0.000 1 213 57 56 ILE N N 130.919 0.000 1 214 58 57 LYS H H 8.814 0.000 1 215 58 57 LYS C C 172.311 0.000 1 216 58 57 LYS CA C 58.546 0.000 1 217 58 57 LYS N N 130.463 0.000 1 218 59 58 LEU H H 8.755 0.000 1 219 59 58 LEU C C 173.468 0.000 1 220 59 58 LEU CA C 55.479 0.000 1 221 59 58 LEU N N 127.067 0.000 1 222 60 59 GLN H H 8.873 0.000 1 223 60 59 GLN C C 172.465 0.000 1 224 60 59 GLN CA C 57.526 0.000 1 225 60 59 GLN CB C 33.336 0.000 1 226 60 59 GLN N N 125.910 0.000 1 227 61 60 ILE H H 8.762 0.000 1 228 61 60 ILE C C 172.491 0.000 1 229 61 60 ILE CA C 63.478 0.000 1 230 61 60 ILE CB C 32.801 0.000 1 231 61 60 ILE N N 127.348 0.000 1 232 62 61 TRP H H 9.361 0.000 1 233 62 61 TRP HE1 H 10.100 0.000 1 234 62 61 TRP C C 172.834 0.000 1 235 62 61 TRP CA C 55.006 0.000 1 236 62 61 TRP N N 128.250 0.000 1 237 62 61 TRP NE1 N 129.872 0.000 1 238 63 62 ASP H H 8.992 0.000 1 239 63 62 ASP CA C 55.006 0.000 1 240 63 62 ASP N N 125.563 0.000 1 241 80 79 GLY C C 172.366 0.000 1 242 81 80 ALA H H 7.004 0.000 1 243 81 80 ALA C C 176.205 0.000 1 244 81 80 ALA CA C 55.252 0.000 1 245 81 80 ALA CB C 21.204 0.000 1 246 81 80 ALA N N 121.685 0.000 1 247 82 81 HIS H H 9.718 0.000 1 248 82 81 HIS C C 174.861 0.000 1 249 82 81 HIS CA C 62.414 0.000 1 250 82 81 HIS N N 122.673 0.000 1 251 83 82 GLY H H 7.787 0.000 1 252 83 82 GLY C C 169.856 0.000 1 253 83 82 GLY N N 104.926 0.000 1 254 84 83 ILE H H 8.891 0.000 1 255 84 83 ILE C C 171.676 0.000 1 256 84 83 ILE CA C 63.337 0.000 1 257 84 83 ILE CB C 43.788 0.000 1 258 84 83 ILE N N 124.490 0.000 1 259 85 84 ILE H H 9.040 0.000 1 260 85 84 ILE C C 172.465 0.000 1 261 85 84 ILE CA C 63.139 0.000 1 262 85 84 ILE CB C 41.418 0.000 1 263 85 84 ILE N N 129.240 0.000 1 264 86 85 VAL H H 8.923 0.000 1 265 86 85 VAL C C 172.520 0.000 1 266 86 85 VAL CA C 63.584 0.000 1 267 86 85 VAL CB C 34.902 0.000 1 268 86 85 VAL N N 129.512 0.000 1 269 87 86 VAL H H 8.790 0.000 1 270 87 86 VAL C C 174.135 0.000 1 271 87 86 VAL CA C 62.852 0.000 1 272 87 86 VAL CB C 35.754 0.000 1 273 87 86 VAL N N 128.537 0.000 1 274 88 87 TYR H H 9.192 0.000 1 275 88 87 TYR C C 169.165 0.000 1 276 88 87 TYR CB C 42.693 0.000 1 277 88 87 TYR N N 123.820 0.000 1 278 89 88 ASP H H 8.883 0.000 1 279 89 88 ASP C C 176.600 0.000 1 280 89 88 ASP CA C 53.906 0.000 1 281 89 88 ASP CB C 46.061 0.000 1 282 89 88 ASP N N 122.922 0.000 1 283 90 89 VAL H H 8.794 0.000 1 284 90 89 VAL C C 174.982 0.000 1 285 90 89 VAL CA C 66.786 0.000 1 286 90 89 VAL CB C 33.204 0.000 1 287 90 89 VAL N N 119.754 0.000 1 288 91 90 THR H H 9.522 0.000 1 289 91 90 THR C C 172.026 0.000 1 290 91 90 THR CA C 64.493 0.000 1 291 91 90 THR CB C 72.631 0.000 1 292 91 90 THR N N 114.432 0.000 1 293 92 91 ASP H H 8.308 0.000 1 294 92 91 ASP C C 174.482 0.000 1 295 92 91 ASP CA C 55.010 0.000 1 296 92 91 ASP CB C 45.725 0.000 1 297 92 91 ASP N N 125.348 0.000 1 298 93 92 GLN H H 9.195 0.000 1 299 93 92 GLN C C 176.793 0.000 1 300 93 92 GLN CA C 61.645 0.000 1 301 93 92 GLN CB C 31.068 0.000 1 302 93 92 GLN N N 127.954 0.000 1 303 94 93 GLU H H 8.305 0.000 1 304 94 93 GLU C C 176.827 0.000 1 305 94 93 GLU CA C 62.255 0.000 1 306 94 93 GLU CB C 31.216 0.000 1 307 94 93 GLU N N 121.586 0.000 1 308 95 94 SER H H 7.971 0.000 1 309 95 94 SER C C 174.792 0.000 1 310 95 94 SER CA C 63.890 0.000 1 311 95 94 SER CB C 66.165 0.000 1 312 95 94 SER N N 117.565 0.000 1 313 96 95 TYR H H 7.197 0.000 1 314 96 95 TYR C C 177.364 0.000 1 315 96 95 TYR CA C 62.571 0.000 1 316 96 95 TYR CB C 42.106 0.000 1 317 96 95 TYR N N 124.053 0.000 1 318 97 96 ALA H H 8.702 0.000 1 319 97 96 ALA C C 179.910 0.000 1 320 97 96 ALA CA C 57.907 0.000 1 321 97 96 ALA CB C 20.264 0.000 1 322 97 96 ALA N N 127.935 0.000 1 323 98 97 ASN H H 8.482 0.000 1 324 98 97 ASN C C 176.143 0.000 1 325 98 97 ASN CA C 56.762 0.000 1 326 98 97 ASN CB C 40.678 0.000 1 327 98 97 ASN N N 115.265 0.000 1 328 99 98 VAL H H 8.024 0.000 1 329 99 98 VAL C C 175.931 0.000 1 330 99 98 VAL CA C 70.428 0.000 1 331 99 98 VAL N N 124.929 0.000 1 332 100 99 LYS H H 7.410 0.000 1 333 100 99 LYS C C 177.547 0.000 1 334 100 99 LYS CA C 63.262 0.000 1 335 100 99 LYS CB C 34.658 0.000 1 336 100 99 LYS N N 117.239 0.000 1 337 101 100 GLN H H 7.353 0.000 1 338 101 100 GLN C C 177.775 0.000 1 339 101 100 GLN CB C 30.473 0.000 1 340 101 100 GLN N N 120.624 0.000 1 341 102 101 TRP H H 7.968 0.000 1 342 102 101 TRP HE1 H 11.205 0.000 1 343 102 101 TRP C C 177.729 0.000 1 344 102 101 TRP CA C 63.435 0.000 1 345 102 101 TRP CB C 32.318 0.000 1 346 102 101 TRP N N 123.209 0.000 1 347 102 101 TRP NE1 N 132.864 0.000 1 348 103 102 LEU H H 8.780 0.000 1 349 103 102 LEU C C 178.204 0.000 1 350 103 102 LEU CA C 60.933 0.000 1 351 103 102 LEU N N 118.726 0.000 1 352 104 103 GLN H H 7.539 0.000 1 353 104 103 GLN C C 177.547 0.000 1 354 104 103 GLN CA C 61.673 0.000 1 355 104 103 GLN CB C 31.041 0.000 1 356 104 103 GLN N N 120.399 0.000 1 357 105 104 GLU H H 7.965 0.000 1 358 105 104 GLU C C 177.555 0.000 1 359 105 104 GLU CA C 61.802 0.000 1 360 105 104 GLU N N 122.332 0.000 1 361 106 105 ILE H H 8.102 0.000 1 362 106 105 ILE C C 176.811 0.000 1 363 106 105 ILE CA C 69.023 0.000 1 364 106 105 ILE N N 120.485 0.000 1 365 107 106 ASP H H 7.776 0.000 1 366 107 106 ASP C C 176.703 0.000 1 367 107 106 ASP CA C 59.839 0.000 1 368 107 106 ASP CB C 40.732 0.000 1 369 107 106 ASP N N 119.689 0.000 1 370 108 107 ARG H H 7.548 0.000 1 371 108 107 ARG C C 176.960 0.000 1 372 108 107 ARG CA C 61.277 0.000 1 373 108 107 ARG CB C 33.366 0.000 1 374 108 107 ARG N N 118.460 0.000 1 375 109 108 TYR H H 7.651 0.000 1 376 109 108 TYR C C 175.080 0.000 1 377 109 108 TYR CA C 61.077 0.000 1 378 109 108 TYR N N 115.319 0.000 1 379 110 109 ALA H H 8.766 0.000 1 380 110 109 ALA C C 175.532 0.000 1 381 110 109 ALA CA C 53.929 0.000 1 382 110 109 ALA CB C 24.615 0.000 1 383 110 109 ALA N N 122.134 0.000 1 384 111 110 SER H H 8.806 0.000 1 385 111 110 SER C C 174.334 0.000 1 386 111 110 SER CA C 61.852 0.000 1 387 111 110 SER CB C 66.801 0.000 1 388 111 110 SER N N 116.131 0.000 1 389 112 111 GLU H H 9.070 0.000 1 390 112 111 GLU C C 175.553 0.000 1 391 112 111 GLU CA C 61.245 0.000 1 392 112 111 GLU CB C 32.183 0.000 1 393 112 111 GLU N N 124.859 0.000 1 394 113 112 ASN H H 8.370 0.000 1 395 113 112 ASN C C 172.892 0.000 1 396 113 112 ASN CA C 55.556 0.000 1 397 113 112 ASN CB C 40.822 0.000 1 398 113 112 ASN N N 116.787 0.000 1 399 114 113 VAL H H 7.065 0.000 1 400 114 113 VAL C C 172.789 0.000 1 401 114 113 VAL CA C 65.032 0.000 1 402 114 113 VAL CB C 34.704 0.000 1 403 114 113 VAL N N 120.398 0.000 1 404 115 114 ASN H H 7.802 0.000 1 405 115 114 ASN C C 173.259 0.000 1 406 115 114 ASN CA C 58.466 0.000 1 407 115 114 ASN CB C 43.754 0.000 1 408 115 114 ASN N N 125.532 0.000 1 409 116 115 LYS H H 8.423 0.000 1 410 116 115 LYS C C 173.161 0.000 1 411 116 115 LYS CA C 57.797 0.000 1 412 116 115 LYS N N 121.380 0.000 1 413 117 116 LEU H H 7.756 0.000 1 414 117 116 LEU C C 171.263 0.000 1 415 117 116 LEU CA C 57.825 0.000 1 416 117 116 LEU CB C 42.636 0.000 1 417 117 116 LEU N N 121.835 0.000 1 418 118 117 LEU H H 8.614 0.000 1 419 118 117 LEU C C 172.239 0.000 1 420 118 117 LEU CA C 56.224 0.000 1 421 118 117 LEU CB C 47.637 0.000 1 422 118 117 LEU N N 129.283 0.000 1 423 119 118 VAL H H 9.289 0.000 1 424 119 118 VAL C C 172.584 0.000 1 425 119 118 VAL CA C 62.342 0.000 1 426 119 118 VAL N N 127.036 0.000 1 427 120 119 GLY H H 8.199 0.000 1 428 120 119 GLY C C 170.489 0.000 1 429 120 119 GLY CA C 47.135 0.000 1 430 120 119 GLY N N 113.678 0.000 1 431 121 120 ASN H H 9.083 0.000 1 432 121 120 ASN C C 172.738 0.000 1 433 121 120 ASN CA C 54.238 0.000 1 434 121 120 ASN CB C 44.250 0.000 1 435 121 120 ASN N N 124.458 0.000 1 436 122 121 LYS H H 7.250 0.000 1 437 122 121 LYS C C 176.406 0.000 1 438 122 121 LYS CA C 60.199 0.000 1 439 122 121 LYS N N 113.123 0.000 1 440 123 122 SER H H 8.962 0.000 1 441 123 122 SER C C 172.482 0.000 1 442 123 122 SER CA C 63.389 0.000 1 443 123 122 SER CB C 65.802 0.000 1 444 123 122 SER N N 115.151 0.000 1 445 124 123 ASP H H 8.515 0.000 1 446 124 123 ASP C C 175.527 0.000 1 447 124 123 ASP CA C 56.962 0.000 1 448 124 123 ASP CB C 43.806 0.000 1 449 124 123 ASP N N 117.246 0.000 1 450 125 124 LEU H H 7.851 0.000 1 451 125 124 LEU C C 177.233 0.000 1 452 125 124 LEU CA C 55.538 0.000 1 453 125 124 LEU CB C 43.806 0.000 1 454 125 124 LEU N N 125.745 0.000 1 455 126 125 THR H H 7.859 0.000 1 456 126 125 THR C C 176.235 0.000 1 457 126 125 THR CA C 68.467 0.000 1 458 126 125 THR CB C 71.139 0.000 1 459 126 125 THR N N 113.673 0.000 1 460 127 126 THR C C 173.893 0.000 1 461 127 126 THR CA C 66.134 0.000 1 462 128 127 LYS H H 7.305 0.000 1 463 128 127 LYS C C 173.740 0.000 1 464 128 127 LYS CA C 57.356 0.000 1 465 128 127 LYS CB C 36.353 0.000 1 466 128 127 LYS N N 120.415 0.000 1 467 129 128 LYS H H 7.038 0.000 1 468 129 128 LYS C C 174.948 0.000 1 469 129 128 LYS CA C 61.504 0.000 1 470 129 128 LYS CB C 36.206 0.000 1 471 129 128 LYS N N 122.497 0.000 1 472 130 129 VAL H H 8.781 0.000 1 473 130 129 VAL C C 173.916 0.000 1 474 130 129 VAL CA C 63.949 0.000 1 475 130 129 VAL CB C 36.496 0.000 1 476 130 129 VAL N N 121.080 0.000 1 477 131 130 VAL H H 7.575 0.000 1 478 131 130 VAL C C 173.956 0.000 1 479 131 130 VAL CA C 64.364 0.000 1 480 131 130 VAL CB C 34.346 0.000 1 481 131 130 VAL N N 124.643 0.000 1 482 132 131 ASP H H 8.612 0.000 1 483 132 131 ASP C C 175.238 0.000 1 484 132 131 ASP CA C 57.335 0.000 1 485 132 131 ASP CB C 44.754 0.000 1 486 132 131 ASP N N 130.614 0.000 1 487 133 132 ASN H H 7.370 0.000 1 488 133 132 ASN N N 120.485 0.000 1 489 134 133 THR H H 8.415 0.000 1 490 134 133 THR C C 175.202 0.000 1 491 134 133 THR CA C 68.834 0.000 1 492 134 133 THR CB C 70.858 0.000 1 493 134 133 THR N N 116.831 0.000 1 494 135 134 THR H H 7.399 0.000 1 495 135 134 THR C C 174.780 0.000 1 496 135 134 THR CA C 68.603 0.000 1 497 135 134 THR CB C 71.507 0.000 1 498 135 134 THR N N 121.373 0.000 1 499 136 135 ALA H H 7.227 0.000 1 500 136 135 ALA C C 177.204 0.000 1 501 136 135 ALA CA C 57.352 0.000 1 502 136 135 ALA CB C 22.916 0.000 1 503 136 135 ALA N N 126.354 0.000 1 504 137 136 LYS H H 8.043 0.000 1 505 137 136 LYS C C 176.810 0.000 1 506 137 136 LYS CA C 61.882 0.000 1 507 137 136 LYS N N 119.243 0.000 1 508 138 137 GLU H H 7.873 0.000 1 509 138 137 GLU C C 178.503 0.000 1 510 138 137 GLU CA C 62.308 0.000 1 511 138 137 GLU CB C 31.895 0.000 1 512 138 137 GLU N N 119.717 0.000 1 513 139 138 PHE H H 7.816 0.000 1 514 139 138 PHE C C 176.918 0.000 1 515 139 138 PHE CA C 62.516 0.000 1 516 139 138 PHE CB C 41.641 0.000 1 517 139 138 PHE N N 122.900 0.000 1 518 140 139 ALA H H 8.912 0.000 1 519 140 139 ALA C C 179.082 0.000 1 520 140 139 ALA CA C 58.721 0.000 1 521 140 139 ALA CB C 20.768 0.000 1 522 140 139 ALA N N 126.642 0.000 1 523 141 140 ASP H H 9.367 0.000 1 524 141 140 ASP C C 179.069 0.000 1 525 141 140 ASP CA C 59.891 0.000 1 526 141 140 ASP CB C 42.381 0.000 1 527 141 140 ASP N N 119.815 0.000 1 528 142 141 SER H H 8.031 0.000 1 529 142 141 SER C C 173.807 0.000 1 530 142 141 SER CB C 65.277 0.000 1 531 142 141 SER N N 119.336 0.000 1 532 143 142 LEU H H 7.190 0.000 1 533 143 142 LEU C C 176.130 0.000 1 534 143 142 LEU CA C 57.107 0.000 1 535 143 142 LEU CB C 46.152 0.000 1 536 143 142 LEU N N 122.776 0.000 1 537 144 143 GLY H H 8.013 0.000 1 538 144 143 GLY C C 173.599 0.000 1 539 144 143 GLY CA C 48.957 0.000 1 540 144 143 GLY N N 111.064 0.000 1 541 145 144 ILE H H 7.856 0.000 1 542 145 144 ILE C C 171.504 0.000 1 543 145 144 ILE CA C 60.686 0.000 1 544 145 144 ILE CB C 42.372 0.000 1 545 145 144 ILE N N 117.915 0.000 1 546 146 145 PRO C C 172.797 0.000 1 547 146 145 PRO CA C 65.141 0.000 1 548 146 145 PRO CB C 34.170 0.000 1 549 147 146 PHE H H 7.880 0.000 1 550 147 146 PHE C C 173.374 0.000 1 551 147 146 PHE CA C 57.903 0.000 1 552 147 146 PHE CB C 46.218 0.000 1 553 147 146 PHE N N 121.168 0.000 1 554 148 147 LEU H H 8.026 0.000 1 555 148 147 LEU C C 172.177 0.000 1 556 148 147 LEU CA C 57.241 0.000 1 557 148 147 LEU CB C 49.556 0.000 1 558 148 147 LEU N N 129.489 0.000 1 559 149 148 GLU H H 8.011 0.000 1 560 149 148 GLU C C 176.163 0.000 1 561 149 148 GLU CA C 56.818 0.000 1 562 149 148 GLU CB C 34.945 0.000 1 563 149 148 GLU N N 118.549 0.000 1 564 150 149 THR H H 9.292 0.000 1 565 150 149 THR C C 173.873 0.000 1 566 150 149 THR CA C 62.565 0.000 1 567 150 149 THR CB C 76.264 0.000 1 568 150 149 THR N N 114.802 0.000 1 569 151 150 SER H H 8.202 0.000 1 570 151 150 SER C C 174.489 0.000 1 571 151 150 SER CA C 59.401 0.000 1 572 151 150 SER CB C 67.077 0.000 1 573 151 150 SER N N 112.663 0.000 1 574 152 151 ALA H H 9.105 0.000 1 575 152 151 ALA C C 176.740 0.000 1 576 152 151 ALA CA C 58.606 0.000 1 577 152 151 ALA N N 134.573 0.000 1 578 153 152 LYS H H 7.025 0.000 1 579 153 152 LYS C C 175.386 0.000 1 580 153 152 LYS CA C 61.371 0.000 1 581 153 152 LYS N N 118.948 0.000 1 582 154 153 ASN H H 7.920 0.000 1 583 154 153 ASN C C 173.767 0.000 1 584 154 153 ASN CA C 54.808 0.000 1 585 154 153 ASN CB C 40.771 0.000 1 586 154 153 ASN N N 115.354 0.000 1 587 155 154 ALA H H 7.760 0.000 1 588 155 154 ALA C C 174.950 0.000 1 589 155 154 ALA CA C 57.614 0.000 1 590 155 154 ALA CB C 19.985 0.000 1 591 155 154 ALA N N 119.967 0.000 1 592 156 155 THR H H 8.149 0.000 1 593 156 155 THR C C 173.609 0.000 1 594 156 155 THR CA C 67.024 0.000 1 595 156 155 THR CB C 71.610 0.000 1 596 156 155 THR N N 118.669 0.000 1 597 157 156 ASN H H 9.364 0.000 1 598 157 156 ASN C C 173.156 0.000 1 599 157 156 ASN CA C 57.034 0.000 1 600 157 156 ASN CB C 39.714 0.000 1 601 157 156 ASN N N 122.189 0.000 1 602 158 157 VAL H H 7.643 0.000 1 603 158 157 VAL C C 175.758 0.000 1 604 158 157 VAL CA C 71.115 0.000 1 605 158 157 VAL CB C 33.453 0.000 1 606 158 157 VAL N N 123.048 0.000 1 607 159 158 GLU H H 8.730 0.000 1 608 159 158 GLU C C 177.525 0.000 1 609 159 158 GLU CA C 63.226 0.000 1 610 159 158 GLU CB C 32.013 0.000 1 611 159 158 GLU N N 120.646 0.000 1 612 160 159 GLN H H 8.491 0.000 1 613 160 159 GLN C C 177.104 0.000 1 614 160 159 GLN CA C 61.782 0.000 1 615 160 159 GLN CB C 30.338 0.000 1 616 160 159 GLN N N 117.903 0.000 1 617 161 160 ALA H H 8.172 0.000 1 618 161 160 ALA C C 176.510 0.000 1 619 161 160 ALA CA C 58.468 0.000 1 620 161 160 ALA CB C 19.597 0.000 1 621 161 160 ALA N N 125.680 0.000 1 622 162 161 PHE H H 6.957 0.000 1 623 162 161 PHE C C 176.913 0.000 1 624 162 161 PHE CA C 65.511 0.000 1 625 162 161 PHE N N 115.063 0.000 1 626 163 162 MET H H 8.849 0.000 1 627 163 162 MET C C 177.909 0.000 1 628 163 162 MET CA C 60.835 0.000 1 629 163 162 MET CB C 34.001 0.000 1 630 163 162 MET N N 118.840 0.000 1 631 164 163 THR H H 8.619 0.000 1 632 164 163 THR C C 174.578 0.000 1 633 164 163 THR CA C 69.787 0.000 1 634 164 163 THR CB C 71.140 0.000 1 635 164 163 THR N N 119.450 0.000 1 636 165 164 MET H H 7.458 0.000 1 637 165 164 MET C C 175.640 0.000 1 638 165 164 MET CA C 60.792 0.000 1 639 165 164 MET N N 120.970 0.000 1 640 166 165 ALA H H 8.413 0.000 1 641 166 165 ALA C C 176.790 0.000 1 642 166 165 ALA CA C 58.352 0.000 1 643 166 165 ALA CB C 21.421 0.000 1 644 166 165 ALA N N 120.903 0.000 1 645 167 166 ALA H H 8.417 0.000 1 646 167 166 ALA C C 179.597 0.000 1 647 167 166 ALA CA C 57.854 0.000 1 648 167 166 ALA CB C 21.389 0.000 1 649 167 166 ALA N N 120.748 0.000 1 650 168 167 GLU H H 8.178 0.000 1 651 168 167 GLU C C 178.018 0.000 1 652 168 167 GLU CA C 61.712 0.000 1 653 168 167 GLU CB C 32.121 0.000 1 654 168 167 GLU N N 120.473 0.000 1 655 169 168 ILE H H 7.961 0.000 1 656 169 168 ILE C C 176.874 0.000 1 657 169 168 ILE CA C 67.261 0.000 1 658 169 168 ILE CB C 41.294 0.000 1 659 169 168 ILE N N 122.224 0.000 1 660 170 169 LYS H H 8.246 0.000 1 661 170 169 LYS C C 177.112 0.000 1 662 170 169 LYS CA C 62.784 0.000 1 663 170 169 LYS CB C 34.893 0.000 1 664 170 169 LYS N N 120.549 0.000 1 665 171 170 LYS H H 7.724 0.000 1 666 171 170 LYS C C 176.702 0.000 1 667 171 170 LYS CB C 35.304 0.000 1 668 171 170 LYS N N 119.106 0.000 1 669 172 171 ARG H H 7.494 0.000 1 670 172 171 ARG C C 176.150 0.000 1 671 172 171 ARG CA C 60.046 0.000 1 672 172 171 ARG CB C 33.252 0.000 1 673 172 171 ARG N N 118.459 0.000 1 674 173 172 MET H H 8.071 0.000 1 675 173 172 MET C C 175.254 0.000 1 676 173 172 MET CA C 58.632 0.000 1 677 173 172 MET CB C 44.442 0.000 1 678 173 172 MET N N 119.393 0.000 1 679 174 173 GLY H H 7.903 0.000 1 680 174 173 GLY C C 177.948 0.000 1 681 174 173 GLY CA C 49.122 0.000 1 682 174 173 GLY N N 115.230 0.000 1 stop_ save_