data_11542 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for yeast Tim50 PBD domain ; _BMRB_accession_number 11542 _BMRB_flat_file_name bmr11542.str _Entry_type original _Submission_date 2013-11-12 _Accession_date 2013-11-12 _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 Rahman Bytul M. . 2 Anzai Takahiro . . 3 Kawano Shin . . 4 Endo Toshiya . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 55 "13C chemical shifts" 160 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-25 original author . stop_ _Original_release_date 2014-03-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR analyses on the interactions of the yeast Tim50 C-terminal region with the presequence and Tim50 core domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24462684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rahman Bytul M. . 2 Kawano Shin . . 3 Esaki Kaori . . 4 Anzai Takahiro . . 5 Endo Toshiya . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 588 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 678 _Page_last 684 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'yeast Tim50 PBD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tim50 PBD' $Tim50_PBD 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_Tim50_PBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tim50_PBD _Molecular_mass 8400 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MEEGQKNYLMFMKMIEEEKE KIRIQQEQMGGQTFTLKDYV EGNLPSPEEQMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 379 MET 2 380 GLY 3 381 SER 4 382 SER 5 383 HIS 6 384 HIS 7 385 HIS 8 386 HIS 9 387 HIS 10 388 HIS 11 389 SER 12 390 SER 13 391 GLY 14 392 LEU 15 393 VAL 16 394 PRO 17 395 ARG 18 396 GLY 19 397 SER 20 398 HIS 21 399 MET 22 400 GLU 23 401 GLU 24 402 GLY 25 403 GLN 26 404 LYS 27 405 ASN 28 406 TYR 29 407 LEU 30 408 MET 31 409 PHE 32 410 MET 33 411 LYS 34 412 MET 35 413 ILE 36 414 GLU 37 415 GLU 38 416 GLU 39 417 LYS 40 418 GLU 41 419 LYS 42 420 ILE 43 421 ARG 44 422 ILE 45 423 GLN 46 424 GLN 47 425 GLU 48 426 GLN 49 427 MET 50 428 GLY 51 429 GLY 52 430 GLN 53 431 THR 54 432 PHE 55 433 THR 56 434 LEU 57 435 LYS 58 436 ASP 59 437 TYR 60 438 VAL 61 439 GLU 62 440 GLY 63 441 ASN 64 442 LEU 65 443 PRO 66 444 SER 67 445 PRO 68 446 GLU 69 447 GLU 70 448 GLN 71 449 MET 72 450 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 DBJ GAA26910 "K7_Tim50p [Saccharomyces cerevisiae Kyokai no. 7]" 70.83 476 100.00 100.00 5.21e-25 EMBL CAY86898 "Tim50p [Saccharomyces cerevisiae EC1118]" 70.83 476 100.00 100.00 5.16e-25 GB AAB68302 "Ypl063wp [Saccharomyces cerevisiae]" 70.83 476 100.00 100.00 5.21e-25 GB AHY78114 "Tim50p [Saccharomyces cerevisiae YJM993]" 70.83 476 100.00 100.00 5.16e-25 GB AJP42082 "Tim50p [Saccharomyces cerevisiae YJM1078]" 70.83 476 100.00 100.00 5.16e-25 GB AJV91172 "Tim50p [Saccharomyces cerevisiae YJM1460]" 70.83 476 100.00 100.00 5.21e-25 GB AJV91610 "Tim50p [Saccharomyces cerevisiae YJM1463]" 70.83 476 100.00 100.00 5.16e-25 REF NP_015262 "protein translocase subunit TIM50 [Saccharomyces cerevisiae S288c]" 70.83 476 100.00 100.00 5.21e-25 SP Q02776 "RecName: Full=Mitochondrial import inner membrane translocase subunit TIM50; Flags: Precursor" 70.83 476 100.00 100.00 5.21e-25 TPG DAA11368 "TPA: protein translocase subunit TIM50 [Saccharomyces cerevisiae S288c]" 70.83 476 100.00 100.00 5.21e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tim50_PBD 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Tim50_PBD 'recombinant technology' 'E. coli' Escherichia coli . pET15b 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 $Tim50_PBD 100 uM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'The cryo probe is equipped with to this spectrometer.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCANNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _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' 70 . mM pH 6.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCANNH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Tim50 PBD' _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 1 390 12 SER C C 172.249 0 1 2 390 12 SER CA C 55.95 0.016 1 3 390 12 SER CB C 61.105 0.023 1 4 391 13 GLY H H 8.311 0.002 1 5 391 13 GLY C C 171.097 0 1 6 391 13 GLY CA C 42.539 0.016 1 7 391 13 GLY N N 110.496 0.052 1 8 392 14 LEU H H 7.97 0.002 1 9 392 14 LEU C C 174.38 0 1 10 392 14 LEU CA C 52.39 0.023 1 11 392 14 LEU CB C 39.664 0.006 1 12 392 14 LEU N N 121.563 0.084 1 13 393 15 VAL H H 7.999 0.001 1 14 393 15 VAL CA C 57.145 0 1 15 393 15 VAL CB C 29.907 0 1 16 393 15 VAL N N 122.811 0.092 1 17 396 18 GLY H H 8.514 0.002 1 18 396 18 GLY CA C 42.328 0 1 19 396 18 GLY N N 110.59 0.053 1 20 397 19 SER C C 173.945 0 1 21 398 20 HIS H H 8.412 0.001 1 22 398 20 HIS N N 117.885 0.025 1 23 399 21 MET H H 7.871 0.003 1 24 399 21 MET C C 173.512 0 1 25 399 21 MET CA C 53.289 0.038 1 26 399 21 MET CB C 30.168 0.004 1 27 399 21 MET N N 126.625 0.104 1 28 400 22 GLU H H 8.37 0.001 1 29 400 22 GLU C C 174.283 0 1 30 400 22 GLU CA C 54.2 0.012 1 31 400 22 GLU CB C 27.44 0.005 1 32 400 22 GLU N N 122.101 0.151 1 33 401 23 GLU H H 8.424 0.002 1 34 401 23 GLU C C 174.872 0 1 35 401 23 GLU CA C 55.114 0.022 1 36 401 23 GLU CB C 27.268 0.025 1 37 401 23 GLU N N 121.943 0.105 1 38 402 24 GLY H H 8.36 0.002 1 39 402 24 GLY C C 172.283 0 1 40 402 24 GLY CA C 43.211 0.017 1 41 402 24 GLY N N 108.834 0.081 1 42 403 25 GLN H H 8.004 0.002 1 43 403 25 GLN C C 174.094 0 1 44 403 25 GLN CA C 53.992 0.165 1 45 403 25 GLN CB C 26.285 0.038 1 46 403 25 GLN N N 120.184 0.099 1 47 404 26 LYS H H 8.193 0.004 1 48 404 26 LYS C C 174.74 0 1 49 404 26 LYS CA C 55.374 0.03 1 50 404 26 LYS CB C 29.841 0.025 1 51 404 26 LYS N N 121.152 0.13 1 52 405 27 ASN H H 8.293 0.001 1 53 405 27 ASN C C 173.487 0 1 54 405 27 ASN CA C 51.795 0.025 1 55 405 27 ASN CB C 35.643 0.051 1 56 405 27 ASN N N 118.392 0.089 1 57 406 28 TYR H H 8.082 0.003 1 58 406 28 TYR C C 175.692 0 1 59 406 28 TYR CA C 57.739 0.018 1 60 406 28 TYR CB C 35.776 0 1 61 406 28 TYR N N 121.788 0.049 1 62 407 29 LEU H H 8.027 0.005 1 63 407 29 LEU C C 176.675 0 1 64 407 29 LEU CA C 54.575 0.022 1 65 407 29 LEU CB C 38.925 0.055 1 66 407 29 LEU N N 119.996 0.095 1 67 408 30 MET H H 7.872 0.003 1 68 408 30 MET C C 175.081 0 1 69 408 30 MET CA C 54.885 0.023 1 70 408 30 MET CB C 29.509 0.131 1 71 408 30 MET N N 118.739 0.084 1 72 409 31 PHE H H 7.976 0.002 1 73 409 31 PHE C C 174.241 0 1 74 409 31 PHE CA C 57.276 0.028 1 75 409 31 PHE CB C 36.262 0.018 1 76 409 31 PHE N N 120.977 0.106 1 77 410 32 MET H H 8.065 0.003 1 78 410 32 MET C C 175.365 0 1 79 410 32 MET CA C 54.235 0.106 1 80 410 32 MET CB C 29.293 0.093 1 81 410 32 MET N N 118.205 0.098 1 82 411 33 LYS H H 7.849 0.003 1 83 411 33 LYS C C 173.078 0 1 84 411 33 LYS CA C 55.535 0 1 85 411 33 LYS CB C 29.635 0.025 1 86 411 33 LYS N N 120.604 0.088 1 87 412 34 MET H H 7.87 0.003 1 88 412 34 MET C C 175.469 0 1 89 412 34 MET CA C 55.436 0.051 1 90 412 34 MET CB C 29.858 0 1 91 412 34 MET N N 119.76 0.055 1 92 413 35 ILE H H 7.847 0.009 1 93 413 35 ILE C C 175.365 0 1 94 413 35 ILE CA C 60.663 0.039 1 95 413 35 ILE CB C 34.922 0.017 1 96 413 35 ILE N N 120.385 0.133 1 97 414 36 GLU H H 8.03 0.002 1 98 414 36 GLU C C 176.075 0 1 99 414 36 GLU CA C 56.035 0.002 1 100 414 36 GLU CB C 26.763 0.021 1 101 414 36 GLU N N 121.566 0.1 1 102 415 37 GLU H H 8.288 0.002 1 103 415 37 GLU C C 176.124 0 1 104 415 37 GLU CA C 56.181 0.022 1 105 415 37 GLU CB C 26.938 0.059 1 106 415 37 GLU N N 120.402 0.12 1 107 416 38 GLU H H 8.09 0.001 1 108 416 38 GLU C C 174.151 0 1 109 416 38 GLU CA C 55.941 0.01 1 110 416 38 GLU CB C 26.735 0 1 111 416 38 GLU N N 120.812 0.145 1 112 417 39 LYS H H 8.038 0.004 1 113 417 39 LYS C C 176.267 0 1 114 417 39 LYS CA C 56.582 0.015 1 115 417 39 LYS CB C 29.744 0.077 1 116 417 39 LYS N N 119.426 0.154 1 117 418 40 GLU H H 7.954 0.002 1 118 418 40 GLU C C 174.778 0 1 119 418 40 GLU CA C 55.414 0.02 1 120 418 40 GLU CB C 26.747 0.056 1 121 418 40 GLU N N 120.225 0.038 1 122 419 41 LYS H H 7.773 0.003 1 123 419 41 LYS C C 176.172 0 1 124 419 41 LYS CA C 56.448 0.014 1 125 419 41 LYS CB C 29.642 0.024 1 126 419 41 LYS N N 119.686 0.106 1 127 420 42 ILE H H 7.761 0.003 1 128 420 42 ILE C C 174.615 0 1 129 420 42 ILE CA C 60.779 0.035 1 130 420 42 ILE CB C 35.325 0.029 1 131 420 42 ILE N N 119.615 0.116 1 132 421 43 ARG H H 7.92 0.003 1 133 421 43 ARG C C 175.655 0 1 134 421 43 ARG CA C 56.041 0.06 1 135 421 43 ARG CB C 27.406 0.063 1 136 421 43 ARG N N 122.62 0.036 1 137 422 44 ILE H H 8.122 0.002 1 138 422 44 ILE C C 175.188 0 1 139 422 44 ILE CA C 60.923 0.026 1 140 422 44 ILE CB C 35.482 0.025 1 141 422 44 ILE N N 119.678 0.091 1 142 423 45 GLN H H 7.944 0.002 1 143 423 45 GLN C C 175.127 0 1 144 423 45 GLN CA C 55.299 0.047 1 145 423 45 GLN CB C 26.041 0.028 1 146 423 45 GLN N N 121.014 0.065 1 147 424 46 GLN H H 8.258 0.002 1 148 424 46 GLN C C 175.134 0 1 149 424 46 GLN CA C 55.152 0.029 1 150 424 46 GLN CB C 26.048 0.019 1 151 424 46 GLN N N 119.155 0.08 1 152 425 47 GLU H H 8.207 0.002 1 153 425 47 GLU C C 175.126 0 1 154 425 47 GLU CA C 55.315 0.049 1 155 425 47 GLU CB C 27.207 0.019 1 156 425 47 GLU N N 120.467 0.108 1 157 426 48 GLN H H 8.073 0.002 1 158 426 48 GLN C C 174.025 0 1 159 426 48 GLN CA C 53.975 0.002 1 160 426 48 GLN CB C 26.247 0.109 1 161 426 48 GLN N N 118.836 0.07 1 162 427 49 MET H H 8.041 0.005 1 163 427 49 MET C C 174.382 0 1 164 427 49 MET CA C 53.441 0.023 1 165 427 49 MET CB C 29.874 0.033 1 166 427 49 MET N N 119.499 0.152 1 167 428 50 GLY H H 8.164 0.002 1 168 428 50 GLY C C 172.09 0 1 169 428 50 GLY CA C 42.872 0.042 1 170 428 50 GLY N N 108.938 0.051 1 171 429 51 GLY H H 8.187 0.002 1 172 429 51 GLY C C 171.506 0 1 173 429 51 GLY CA C 42.659 0 1 174 429 51 GLY N N 108.433 0.057 1 175 430 52 GLN H H 8.168 0.003 1 176 430 52 GLN C C 173.327 0 1 177 430 52 GLN CA C 53.282 0.025 1 178 430 52 GLN CB C 26.847 0.046 1 179 430 52 GLN N N 119.629 0.062 1 180 431 53 THR H H 8.093 0.001 1 181 431 53 THR C C 171.364 0 1 182 431 53 THR CA C 59.259 0.02 1 183 431 53 THR CB C 67.103 0.012 1 184 431 53 THR N N 115.169 0.067 1 185 432 54 PHE H H 8.181 0.001 1 186 432 54 PHE C C 172.804 0 1 187 432 54 PHE CA C 55.048 0.052 1 188 432 54 PHE CB C 37.133 0.01 1 189 432 54 PHE N N 122.588 0.13 1 190 433 55 THR H H 8.123 0.002 1 191 433 55 THR C C 171.363 0 1 192 433 55 THR CA C 58.879 0.03 1 193 433 55 THR CB C 67.556 0.023 1 194 433 55 THR N N 116.353 0.063 1 195 434 56 LEU H H 8.181 0.002 1 196 434 56 LEU C C 174.589 0 1 197 434 56 LEU CA C 52.951 0.085 1 198 434 56 LEU CB C 39.568 0.081 1 199 434 56 LEU N N 124.608 0.079 1 200 435 57 LYS H H 8.144 0.001 1 201 435 57 LYS C C 173.458 0 1 202 435 57 LYS CA C 53.99 0.029 1 203 435 57 LYS CB C 30.258 0.021 1 204 435 57 LYS N N 121.742 0.146 1 205 436 58 ASP H H 8.078 0.004 1 206 436 58 ASP C C 173.066 0 1 207 436 58 ASP CA C 51.994 0.024 1 208 436 58 ASP CB C 38.353 0.035 1 209 436 58 ASP N N 120.253 0.068 1 210 437 59 TYR H H 7.872 0.002 1 211 437 59 TYR C C 172.857 0 1 212 437 59 TYR CA C 55.544 0.027 1 213 437 59 TYR CB C 36.192 0.02 1 214 437 59 TYR N N 120.194 0.073 1 215 438 60 VAL H H 7.9 0.002 1 216 438 60 VAL C C 173.089 0 1 217 438 60 VAL CA C 59.522 0.014 1 218 438 60 VAL CB C 30.291 0.029 1 219 438 60 VAL N N 122.87 0.086 1 220 439 61 GLU H H 8.316 0.001 1 221 439 61 GLU C C 174.16 0 1 222 439 61 GLU CA C 54.301 0.005 1 223 439 61 GLU CB C 27.328 0.016 1 224 439 61 GLU N N 124.284 0.165 1 225 440 62 GLY H H 8.229 0.002 1 226 440 62 GLY C C 171.055 0 1 227 440 62 GLY CA C 42.548 0.011 1 228 440 62 GLY N N 109.721 0.029 1 229 441 63 ASN H H 8.175 0.002 1 230 441 63 ASN C C 172.013 0 1 231 441 63 ASN CA C 50.268 0.043 1 232 441 63 ASN CB C 36.399 0.012 1 233 441 63 ASN N N 118.455 0.063 1 234 442 64 LEU H H 8.109 0.002 1 235 442 64 LEU CB C 39.017 0 1 236 442 64 LEU N N 123.524 0.114 1 237 443 65 PRO C C 173.365 0 1 238 443 65 PRO CA C 59.683 0.03 1 239 443 65 PRO CB C 31.831 0.019 1 240 444 66 SER H H 8.638 0.002 1 241 444 66 SER CA C 53.811 0 1 242 444 66 SER CB C 60.688 0 1 243 444 66 SER N N 117.959 0.072 1 244 445 67 PRO C C 174.695 0 1 245 445 67 PRO CA C 61.177 0.006 1 246 445 67 PRO CB C 29.228 0.033 1 247 446 68 GLU H H 8.405 0.001 1 248 446 68 GLU C C 174.268 0 1 249 446 68 GLU CA C 54.512 0.046 1 250 446 68 GLU CB C 27.258 0.044 1 251 446 68 GLU N N 119.809 0.086 1 252 447 69 GLU H H 8.166 0.001 1 253 447 69 GLU C C 173.834 0 1 254 447 69 GLU CA C 54.085 0.055 1 255 447 69 GLU CB C 27.546 0.073 1 256 447 69 GLU N N 121.285 0.112 1 257 448 70 GLN H H 8.158 0.002 1 258 448 70 GLN C C 173.159 0 1 259 448 70 GLN CA C 53.291 0.007 1 260 448 70 GLN CB C 26.741 0.053 1 261 448 70 GLN N N 120.609 0.055 1 262 449 71 MET H H 8.235 0.002 1 263 449 71 MET C C 172.513 0 1 264 449 71 MET CA C 53.055 0.03 1 265 449 71 MET CB C 30.022 0.103 1 266 449 71 MET N N 121.945 0.081 1 267 450 72 LYS H H 7.82 0.001 1 268 450 72 LYS CA C 55.121 0 1 269 450 72 LYS CB C 31.015 0 1 270 450 72 LYS N N 127.991 0.123 1 stop_ save_