data_18176 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for the oxidized form of cVIMP-Cys ; _BMRB_accession_number 18176 _BMRB_flat_file_name bmr18176.str _Entry_type original _Submission_date 2012-01-04 _Accession_date 2012-01-04 _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 Christensen 'Lea Cecilie' . . 2 Teilum Kaare . . 3 Ellgaard Lars . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 81 "13C chemical shifts" 169 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-13 update BMRB 'update entry citation' 2012-06-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18177 'cytosolic region of human VIMP (reduced)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The human selenoprotein VCP-interacting membrane protein (VIMP) is non-globular and harbors a reductase function in an intrinsically disordered region.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22700979 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christensen 'Lea Cecilie' . . 2 Jensen 'Njal Winther' . . 3 Vala Andrea . . 4 Kamarauskaite Jurate . . 5 Johansson Linda . . 6 Winther 'Jakob Rahr' . . 7 Hofmann Kay . . 8 Teilum Kaare . . 9 Ellgaard Lars . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 26388 _Page_last 26399 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cytosolic region of human VIMP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cVIMP-Cys $cVIMP-Cys_ox stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cVIMP-Cys_ox _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cVIMP-Cys_ox _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MQKLSARLRALRQRQLDRAA AAVEPDVVVKRQEALAAARL KMQEELNAQVEKHKEKLKQL EEEKRRQKIEMWDSMQEGKS YKGNAKKPQEEDSPGPSTSS VLKRKSDRKPLRGGGYNPLS GEGGGACSWRPGRRGPSSGG CG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 48 MET 2 49 GLN 3 50 LYS 4 51 LEU 5 52 SER 6 53 ALA 7 54 ARG 8 55 LEU 9 56 ARG 10 57 ALA 11 58 LEU 12 59 ARG 13 60 GLN 14 61 ARG 15 62 GLN 16 63 LEU 17 64 ASP 18 65 ARG 19 66 ALA 20 67 ALA 21 68 ALA 22 69 ALA 23 70 VAL 24 71 GLU 25 72 PRO 26 73 ASP 27 74 VAL 28 75 VAL 29 76 VAL 30 77 LYS 31 78 ARG 32 79 GLN 33 80 GLU 34 81 ALA 35 82 LEU 36 83 ALA 37 84 ALA 38 85 ALA 39 86 ARG 40 87 LEU 41 88 LYS 42 89 MET 43 90 GLN 44 91 GLU 45 92 GLU 46 93 LEU 47 94 ASN 48 95 ALA 49 96 GLN 50 97 VAL 51 98 GLU 52 99 LYS 53 100 HIS 54 101 LYS 55 102 GLU 56 103 LYS 57 104 LEU 58 105 LYS 59 106 GLN 60 107 LEU 61 108 GLU 62 109 GLU 63 110 GLU 64 111 LYS 65 112 ARG 66 113 ARG 67 114 GLN 68 115 LYS 69 116 ILE 70 117 GLU 71 118 MET 72 119 TRP 73 120 ASP 74 121 SER 75 122 MET 76 123 GLN 77 124 GLU 78 125 GLY 79 126 LYS 80 127 SER 81 128 TYR 82 129 LYS 83 130 GLY 84 131 ASN 85 132 ALA 86 133 LYS 87 134 LYS 88 135 PRO 89 136 GLN 90 137 GLU 91 138 GLU 92 139 ASP 93 140 SER 94 141 PRO 95 142 GLY 96 143 PRO 97 144 SER 98 145 THR 99 146 SER 100 147 SER 101 148 VAL 102 149 LEU 103 150 LYS 104 151 ARG 105 152 LYS 106 153 SER 107 154 ASP 108 155 ARG 109 156 LYS 110 157 PRO 111 158 LEU 112 159 ARG 113 160 GLY 114 161 GLY 115 162 GLY 116 163 TYR 117 164 ASN 118 165 PRO 119 166 LEU 120 167 SER 121 168 GLY 122 169 GLU 123 170 GLY 124 171 GLY 125 172 GLY 126 173 ALA 127 174 CYS 128 175 SER 129 176 TRP 130 177 ARG 131 178 PRO 132 179 GLY 133 180 ARG 134 181 ARG 135 182 GLY 136 183 PRO 137 184 SER 138 185 SER 139 186 GLY 140 187 GLY 141 188 CYS 142 189 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 18177 cVIMP-Cys_red 100.00 142 100.00 100.00 1.51e-94 GB AAF67483 "AD-015 protein [Homo sapiens]" 88.03 204 99.20 99.20 4.58e-79 GB AAH05840 "Selenoprotein S [Homo sapiens]" 100.00 189 98.59 98.59 3.94e-92 GB AAI07775 "Selenoprotein S [Homo sapiens]" 100.00 189 98.59 98.59 3.94e-92 GB AAK15708 "hypothetical protein SBBI8 [Homo sapiens]" 98.59 187 99.29 99.29 1.38e-91 GB AAP85541 "selenoprotein S [Homo sapiens]" 100.00 189 98.59 98.59 3.94e-92 REF NP_001108228 "selenoprotein S [Pan troglodytes]" 100.00 189 97.89 98.59 9.95e-92 REF NP_001186934 "selenoprotein S [Pongo abelii]" 100.70 190 97.20 97.20 1.39e-89 REF NP_060915 "selenoprotein S isoform 2 [Homo sapiens]" 100.00 189 98.59 98.59 3.94e-92 REF NP_982298 "selenoprotein S isoform 1 [Homo sapiens]" 98.59 187 99.29 99.29 1.38e-91 REF XP_003281631 "PREDICTED: selenoprotein S [Nomascus leucogenys]" 98.59 187 97.86 99.29 2.40e-90 SP Q9BQE4 "RecName: Full=Selenoprotein S; Short=SelS; AltName: Full=VCP-interacting membrane protein" 100.00 189 98.59 98.59 3.94e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cVIMP-Cys_ox Human 9606 Eukaryota Metazoa Homo sapiens 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_name $cVIMP-Cys_ox 'recombinant technology' . Escherichia coli BL21 DE3 pLE358 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cVIMP-Cys_ox_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % 'natural abundance' DSS 1 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' $cVIMP-Cys_ox 291 uM '[U-100% 13C; U-100% 15N]' GSSG 5 mM 'natural abundance' 'sodium azide' 1 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN-analysis _Saveframe_category software _Name CCPN-analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $cVIMP-Cys_ox_sample save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $cVIMP-Cys_ox_sample save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $cVIMP-Cys_ox_sample save_ save_3D_HNN_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $cVIMP-Cys_ox_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_cVIMP-Cys_ox _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNN' stop_ loop_ _Sample_label $cVIMP-Cys_ox_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cVIMP-Cys _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 49 2 GLN C C 175.636 0.080 1 2 49 2 GLN CA C 55.879 0.080 1 3 50 3 LYS H H 8.763 0.002 1 4 50 3 LYS C C 176.718 0.080 1 5 50 3 LYS CA C 56.582 0.039 1 6 50 3 LYS N N 124.784 0.009 1 7 51 4 LEU H H 8.593 0.002 1 8 51 4 LEU C C 177.486 0.080 1 9 51 4 LEU CA C 55.535 0.028 1 10 51 4 LEU N N 124.781 0.022 1 11 52 5 SER H H 8.337 0.001 1 12 52 5 SER C C 175.008 0.080 1 13 52 5 SER CA C 58.347 0.015 1 14 52 5 SER N N 117.537 0.027 1 15 53 6 ALA H H 8.709 0.003 1 16 53 6 ALA C C 180.315 0.080 1 17 53 6 ALA CA C 55.005 0.063 1 18 53 6 ALA N N 125.734 0.044 1 19 54 7 ARG H H 8.506 0.004 1 20 54 7 ARG C C 178.618 0.080 1 21 54 7 ARG CA C 58.773 0.006 1 22 54 7 ARG N N 119.630 0.026 1 23 55 8 LEU H H 8.012 0.003 1 24 55 8 LEU C C 179.633 0.080 1 25 55 8 LEU CA C 57.232 0.037 1 26 55 8 LEU N N 121.047 0.032 1 27 56 9 ARG H H 8.564 0.006 1 28 56 9 ARG C C 178.499 0.080 1 29 56 9 ARG CA C 59.221 0.041 1 30 56 9 ARG N N 121.334 0.031 1 31 57 10 ALA H H 8.065 0.003 1 32 57 10 ALA C C 180.007 0.080 1 33 57 10 ALA CA C 54.523 0.002 1 34 57 10 ALA N N 122.482 0.038 1 35 58 11 LEU H H 7.958 0.006 1 36 58 11 LEU C C 179.113 0.080 1 37 58 11 LEU CA C 57.540 0.080 1 38 58 11 LEU N N 120.490 0.027 1 39 59 12 ARG H H 8.156 0.005 1 40 59 12 ARG C C 178.218 0.080 1 41 59 12 ARG CA C 58.198 0.030 1 42 59 12 ARG N N 120.134 0.035 1 43 60 13 GLN H H 8.195 0.004 1 44 60 13 GLN C C 177.277 0.080 1 45 60 13 GLN CA C 57.714 0.037 1 46 60 13 GLN N N 119.720 0.045 1 47 61 14 ARG H H 8.148 0.005 1 48 61 14 ARG C C 178.358 0.080 1 49 61 14 ARG CA C 58.473 0.002 1 50 61 14 ARG N N 119.674 0.059 1 51 62 15 GLN H H 8.078 0.011 1 52 62 15 GLN C C 178.223 0.080 1 53 62 15 GLN CA C 57.870 0.012 1 54 62 15 GLN N N 119.412 0.078 1 55 63 16 LEU H H 8.200 0.008 1 56 63 16 LEU C C 179.080 0.080 1 57 63 16 LEU CA C 56.983 0.080 1 58 63 16 LEU N N 122.345 0.049 1 59 64 17 ASP H H 8.583 0.005 1 60 64 17 ASP C C 177.997 0.080 1 61 64 17 ASP CA C 55.994 0.016 1 62 64 17 ASP N N 121.163 0.031 1 63 65 18 ARG H H 8.185 0.003 1 64 65 18 ARG C C 177.616 0.080 1 65 65 18 ARG CA C 57.667 0.015 1 66 65 18 ARG N N 121.040 0.045 1 67 66 19 ALA H H 8.117 0.009 1 68 66 19 ALA C C 178.728 0.080 1 69 66 19 ALA CA C 53.567 0.080 1 70 66 19 ALA N N 123.442 0.064 1 71 67 20 ALA H H 8.104 0.005 1 72 67 20 ALA C C 178.234 0.080 1 73 67 20 ALA CA C 53.132 0.041 1 74 67 20 ALA N N 121.953 0.074 1 75 68 21 ALA H H 8.009 0.008 1 76 68 21 ALA C C 177.695 0.080 1 77 68 21 ALA CA C 52.686 0.080 1 78 68 21 ALA N N 121.954 0.062 1 79 69 22 ALA H H 8.075 0.009 1 80 69 22 ALA C C 177.688 0.080 1 81 69 22 ALA CA C 52.575 0.002 1 82 69 22 ALA N N 122.727 0.074 1 83 70 23 VAL H H 8.053 0.004 1 84 70 23 VAL C C 176.141 0.080 1 85 70 23 VAL CA C 61.905 0.021 1 86 70 23 VAL N N 119.153 0.036 1 87 71 24 GLU H H 8.593 0.001 1 88 71 24 GLU CA C 54.611 0.080 1 89 71 24 GLU N N 126.827 0.025 1 90 123 76 GLN C C 176.456 0.080 1 91 124 77 GLU H H 8.385 0.005 1 92 124 77 GLU C C 177.361 0.080 1 93 124 77 GLU CA C 57.196 0.053 1 94 124 77 GLU N N 121.443 0.055 1 95 125 78 GLY H H 8.516 0.003 1 96 125 78 GLY C C 174.535 0.080 1 97 125 78 GLY CA C 45.797 0.001 1 98 125 78 GLY N N 109.944 0.046 1 99 126 79 LYS H H 8.156 0.003 1 100 126 79 LYS C C 176.775 0.080 1 101 126 79 LYS CA C 56.406 0.009 1 102 126 79 LYS N N 120.589 0.049 1 103 127 80 SER H H 8.393 0.002 1 104 127 80 SER C C 174.211 0.080 1 105 127 80 SER CA C 58.209 0.080 1 106 127 80 SER N N 116.393 0.079 1 107 128 81 TYR H H 8.349 0.006 1 108 128 81 TYR C C 175.884 0.080 1 109 128 81 TYR CA C 58.166 0.080 1 110 128 81 TYR N N 122.959 0.042 1 111 129 82 LYS H H 8.390 0.002 1 112 129 82 LYS C C 176.803 0.080 1 113 129 82 LYS CA C 56.257 0.018 1 114 129 82 LYS N N 124.510 0.015 1 115 130 83 GLY H H 7.785 0.007 1 116 130 83 GLY C C 173.749 0.080 1 117 130 83 GLY CA C 45.573 0.007 1 118 130 83 GLY N N 109.115 0.067 1 119 131 84 ASN H H 8.427 0.002 1 120 131 84 ASN C C 175.168 0.080 1 121 131 84 ASN CA C 53.057 0.080 1 122 131 84 ASN N N 118.699 0.071 1 123 132 85 ALA H H 8.394 0.002 1 124 132 85 ALA C C 177.646 0.080 1 125 132 85 ALA CA C 52.753 0.031 1 126 132 85 ALA N N 124.639 0.072 1 127 133 86 LYS H H 8.413 0.002 1 128 133 86 LYS C C 176.483 0.080 1 129 133 86 LYS CA C 56.106 0.012 1 130 133 86 LYS N N 121.033 0.039 1 131 134 87 LYS H H 8.501 0.002 1 132 134 87 LYS CA C 54.354 0.080 1 133 134 87 LYS N N 124.805 0.062 1 134 135 88 PRO C C 176.965 0.080 1 135 135 88 PRO CA C 63.254 0.080 1 136 136 89 GLN H H 8.674 0.001 1 137 136 89 GLN C C 176.180 0.080 1 138 136 89 GLN CA C 55.993 0.007 1 139 136 89 GLN N N 120.872 0.048 1 140 137 90 GLU H H 8.639 0.002 1 141 137 90 GLU C C 176.610 0.080 1 142 137 90 GLU CA C 56.681 0.080 1 143 137 90 GLU N N 122.766 0.047 1 144 138 91 GLU H H 8.626 0.003 1 145 138 91 GLU C C 176.221 0.080 1 146 138 91 GLU CA C 56.534 0.050 1 147 138 91 GLU N N 121.967 0.041 1 148 139 92 ASP H H 8.556 0.001 1 149 139 92 ASP C C 176.025 0.080 1 150 139 92 ASP CA C 54.432 0.035 1 151 139 92 ASP N N 121.962 0.036 1 152 140 93 SER H H 8.397 0.002 1 153 140 93 SER CA C 56.352 0.080 1 154 140 93 SER N N 117.393 0.044 1 155 141 94 PRO C C 177.322 0.080 1 156 141 94 PRO CA C 63.373 0.080 1 157 142 95 GLY H H 8.435 0.001 1 158 142 95 GLY CA C 44.756 0.080 1 159 142 95 GLY N N 109.614 0.048 1 160 143 96 PRO C C 177.448 0.080 1 161 143 96 PRO CA C 63.154 0.080 1 162 144 97 SER H H 8.716 0.003 1 163 144 97 SER C C 175.287 0.080 1 164 144 97 SER CA C 58.373 0.053 1 165 144 97 SER N N 116.640 0.020 1 166 145 98 THR H H 8.403 0.005 1 167 145 98 THR C C 174.890 0.080 1 168 145 98 THR CA C 62.084 0.004 1 169 145 98 THR N N 116.274 0.072 1 170 146 99 SER H H 8.460 0.001 1 171 146 99 SER C C 174.909 0.080 1 172 146 99 SER CA C 58.689 0.064 1 173 146 99 SER N N 117.973 0.046 1 174 147 100 SER H H 8.515 0.002 1 175 147 100 SER C C 174.840 0.080 1 176 147 100 SER CA C 58.782 0.014 1 177 147 100 SER N N 118.706 0.044 1 178 148 101 VAL H H 8.195 0.002 1 179 148 101 VAL C C 176.426 0.080 1 180 148 101 VAL CA C 62.845 0.024 1 181 148 101 VAL N N 122.199 0.033 1 182 149 102 LEU H H 8.298 0.002 1 183 149 102 LEU C C 177.436 0.080 1 184 149 102 LEU CA C 55.365 0.013 1 185 149 102 LEU N N 125.377 0.029 1 186 150 103 LYS H H 8.364 0.001 1 187 150 103 LYS C C 176.585 0.080 1 188 150 103 LYS CA C 56.371 0.028 1 189 150 103 LYS N N 123.024 0.018 1 190 151 104 ARG H H 8.454 0.001 1 191 151 104 ARG C C 176.703 0.080 1 192 151 104 ARG CA C 56.211 0.004 1 193 151 104 ARG N N 122.989 0.071 1 194 152 105 LYS H H 8.623 0.001 1 195 152 105 LYS C C 177.012 0.080 1 196 152 105 LYS CA C 56.972 0.008 1 197 152 105 LYS N N 123.758 0.015 1 198 153 106 SER H H 8.499 0.001 1 199 153 106 SER C C 174.477 0.080 1 200 153 106 SER CA C 58.488 0.003 1 201 153 106 SER N N 116.856 0.027 1 202 154 107 ASP H H 8.449 0.002 1 203 154 107 ASP C C 176.121 0.080 1 204 154 107 ASP CA C 54.393 0.001 1 205 154 107 ASP N N 123.066 0.050 1 206 155 108 ARG H H 8.282 0.001 1 207 155 108 ARG C C 176.180 0.080 1 208 155 108 ARG CA C 56.021 0.080 1 209 155 108 ARG N N 121.210 0.028 1 210 156 109 LYS H H 8.532 0.002 1 211 156 109 LYS CA C 54.436 0.080 1 212 156 109 LYS N N 124.717 0.025 1 213 157 110 PRO C C 176.874 0.080 1 214 157 110 PRO CA C 62.892 0.080 1 215 158 111 LEU H H 8.522 0.002 1 216 158 111 LEU C C 177.687 0.080 1 217 158 111 LEU CA C 55.131 0.003 1 218 158 111 LEU N N 123.056 0.034 1 219 159 112 ARG H H 8.566 0.001 1 220 159 112 ARG C C 176.910 0.080 1 221 159 112 ARG CA C 56.232 0.021 1 222 159 112 ARG N N 122.484 0.053 1 223 160 113 GLY H H 8.656 0.004 1 224 160 113 GLY C C 174.793 0.080 1 225 160 113 GLY CA C 45.510 0.080 1 226 160 113 GLY N N 110.842 0.049 1 227 161 114 GLY H H 8.484 0.003 1 228 161 114 GLY C C 174.704 0.080 1 229 161 114 GLY CA C 45.575 0.008 1 230 161 114 GLY N N 108.932 0.039 1 231 162 115 GLY H H 8.452 0.002 1 232 162 115 GLY C C 173.592 0.080 1 233 162 115 GLY CA C 45.188 0.009 1 234 162 115 GLY N N 108.891 0.040 1 235 163 116 TYR H H 8.218 0.001 1 236 163 116 TYR C C 174.985 0.080 1 237 163 116 TYR CA C 58.051 0.056 1 238 163 116 TYR N N 120.559 0.058 1 239 164 117 ASN H H 8.503 0.001 1 240 164 117 ASN CA C 50.417 0.080 1 241 164 117 ASN N N 124.227 0.030 1 242 165 118 PRO C C 177.203 0.080 1 243 165 118 PRO CA C 63.458 0.080 1 244 166 119 LEU H H 8.225 0.002 1 245 166 119 LEU C C 177.796 0.080 1 246 166 119 LEU CA C 55.234 0.001 1 247 166 119 LEU N N 120.232 0.048 1 248 167 120 SER H H 8.050 0.003 1 249 167 120 SER C C 175.323 0.080 1 250 167 120 SER CA C 58.687 0.020 1 251 167 120 SER N N 115.444 0.033 1 252 168 121 GLY H H 8.489 0.010 1 253 168 121 GLY C C 174.382 0.080 1 254 168 121 GLY CA C 45.624 0.007 1 255 168 121 GLY N N 111.199 0.029 1 256 169 122 GLU H H 8.379 0.002 1 257 169 122 GLU C C 177.271 0.080 1 258 169 122 GLU CA C 56.684 0.003 1 259 169 122 GLU N N 120.710 0.043 1 260 170 123 GLY H H 8.678 0.002 1 261 170 123 GLY C C 174.710 0.080 1 262 170 123 GLY CA C 45.692 0.080 1 263 170 123 GLY N N 110.317 0.030 1 264 171 124 GLY H H 8.416 0.009 1 265 171 124 GLY C C 174.968 0.080 1 266 171 124 GLY CA C 45.688 0.080 1 267 171 124 GLY N N 108.906 0.118 1 268 172 125 GLY H H 8.437 0.003 1 269 172 125 GLY C C 174.240 0.080 1 270 172 125 GLY CA C 45.460 0.025 1 271 172 125 GLY N N 109.021 0.030 1 272 173 126 ALA H H 8.399 0.001 1 273 173 126 ALA C C 177.972 0.080 1 274 173 126 ALA CA C 52.829 0.053 1 275 173 126 ALA N N 123.831 0.033 1 276 174 127 CYS H H 8.548 0.002 1 277 174 127 CYS C C 174.763 0.080 1 278 174 127 CYS CA C 55.293 0.015 1 279 174 127 CYS N N 117.724 0.050 1 280 175 128 SER H H 8.462 0.001 1 281 175 128 SER C C 173.873 0.080 1 282 175 128 SER CA C 58.746 0.080 1 283 175 128 SER N N 118.499 0.038 1 284 176 129 TRP H H 8.363 0.004 1 285 176 129 TRP C C 175.825 0.080 1 286 176 129 TRP CA C 57.817 0.030 1 287 176 129 TRP N N 123.800 0.043 1 288 177 130 ARG H H 7.872 0.005 1 289 177 130 ARG CA C 53.646 0.080 1 290 177 130 ARG N N 124.701 0.047 1 291 178 131 PRO C C 177.596 0.080 1 292 178 131 PRO CA C 63.392 0.080 1 293 179 132 GLY H H 8.652 0.019 1 294 179 132 GLY C C 174.366 0.080 1 295 179 132 GLY CA C 45.470 0.056 1 296 179 132 GLY N N 110.278 0.032 1 297 180 133 ARG H H 8.190 0.001 1 298 180 133 ARG C C 176.355 0.080 1 299 180 133 ARG CA C 56.014 0.046 1 300 180 133 ARG N N 120.612 0.035 1 301 181 134 ARG H H 8.580 0.002 1 302 181 134 ARG C C 176.391 0.080 1 303 181 134 ARG CA C 55.973 0.080 1 304 181 134 ARG N N 122.578 0.020 1 305 182 135 GLY H H 8.281 0.001 1 306 182 135 GLY CA C 44.942 0.080 1 307 182 135 GLY N N 110.234 0.051 1 308 183 136 PRO C C 177.693 0.080 1 309 184 137 SER H H 8.705 0.002 1 310 184 137 SER C C 174.487 0.080 1 311 184 137 SER CA C 58.667 0.012 1 312 184 137 SER N N 116.339 0.019 1 313 185 138 SER H H 8.358 0.001 1 314 185 138 SER C C 175.098 0.080 1 315 185 138 SER CA C 58.610 0.006 1 316 185 138 SER N N 117.285 0.053 1 317 186 139 GLY H H 8.474 0.002 1 318 186 139 GLY C C 174.561 0.080 1 319 186 139 GLY CA C 45.604 0.067 1 320 186 139 GLY N N 110.695 0.022 1 321 187 140 GLY H H 8.284 0.003 1 322 187 140 GLY C C 174.260 0.080 1 323 187 140 GLY CA C 45.486 0.023 1 324 187 140 GLY N N 108.493 0.024 1 325 188 141 CYS H H 8.482 0.002 1 326 188 141 CYS C C 174.374 0.080 1 327 188 141 CYS CA C 55.296 0.022 1 328 188 141 CYS N N 118.662 0.044 1 329 189 142 GLY H H 8.334 0.003 1 330 189 142 GLY CA C 46.485 0.080 1 331 189 142 GLY N N 116.990 0.034 1 stop_ save_