data_19368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Pex14 in complex with Pex5 LVxEF motif ; _BMRB_accession_number 19368 _BMRB_flat_file_name bmr19368.str _Entry_type original _Submission_date 2013-07-16 _Accession_date 2013-07-16 _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 Kooshapur Hamed . . 2 Meyer H. . . 3 Madl T. . . 4 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 703 "13C chemical shifts" 415 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-11-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Novel Pex14 Protein-interacting Site of Human Pex5 Is Critical for Matrix Protein Import into Peroxisomes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24235149 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neuhaus Alexander . . 2 Kooshapur Hamed . . 3 Wolf Janina . . 4 Meyer 'N. Helge' . . 5 Madl Tobias . . 6 Saidowsky Jurgen . . 7 Hambruch Eva . . 8 Lazam Anissa . . 9 Jung Martin . . 10 Sattler Michael . . 11 Schliebs Wolfgang . . 12 Erdmann Ralf . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 437 _Page_last 448 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Structure of Pex14 in complex with Pex5 LVxEF motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PEROXISOMAL MEMBRANE PROTEIN PEX14' $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 'PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR' $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR stop_ _System_molecular_weight 9147.1679 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 _Molecular_mass 7445.4517 _Mol_thiol_state 'not present' _Details 'RESIDUES 12-15 (GAMA) OF PEX14 ORIGINATE FRO EXPRESSION VECTOR' ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GAMATPGSENVLPREPLIAT AVKFLQNSRVRQSPLATRRA FLKKKGLTDEEIDMAFQQSG TAADEPSSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 GLY 2 13 ALA 3 14 MET 4 15 ALA 5 16 THR 6 17 PRO 7 18 GLY 8 19 SER 9 20 GLU 10 21 ASN 11 22 VAL 12 23 LEU 13 24 PRO 14 25 ARG 15 26 GLU 16 27 PRO 17 28 LEU 18 29 ILE 19 30 ALA 20 31 THR 21 32 ALA 22 33 VAL 23 34 LYS 24 35 PHE 25 36 LEU 26 37 GLN 27 38 ASN 28 39 SER 29 40 ARG 30 41 VAL 31 42 ARG 32 43 GLN 33 44 SER 34 45 PRO 35 46 LEU 36 47 ALA 37 48 THR 38 49 ARG 39 50 ARG 40 51 ALA 41 52 PHE 42 53 LEU 43 54 LYS 44 55 LYS 45 56 LYS 46 57 GLY 47 58 LEU 48 59 THR 49 60 ASP 50 61 GLU 51 62 GLU 52 63 ILE 53 64 ASP 54 65 MET 55 66 ALA 56 67 PHE 57 68 GLN 58 69 GLN 59 70 SER 60 71 GLY 61 72 THR 62 73 ALA 63 74 ALA 64 75 ASP 65 76 GLU 66 77 PRO 67 78 SER 68 79 SER 69 80 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 2W84 "Structure Of Pex14 In Complex With Pex5" 100.00 70 100.00 100.00 9.02e-41 PDB 2W85 "Structure Of Pex14 In Complex With Pex19" 100.00 70 100.00 100.00 9.02e-41 PDB 3FF5 "Crystal Structure Of The Conserved N-Terminal Domain Of The Peroxisomal Matrix-Protein-Import Receptor, Pex14p" 66.67 54 97.83 100.00 3.60e-22 PDB 4BXU "Structure Of Pex14 In Complex With Pex5 Lvxef Motif" 100.00 69 100.00 100.00 1.15e-40 DBJ BAA36837 "peroxisomal membrane anchor protein [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 DBJ BAE00503 "unnamed protein product [Macaca fascicularis]" 95.65 108 98.48 100.00 5.60e-38 DBJ BAE88740 "unnamed protein product [Macaca fascicularis]" 95.65 377 98.48 100.00 3.41e-35 DBJ BAG35878 "unnamed protein product [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 DBJ BAG51028 "unnamed protein product [Homo sapiens]" 95.65 377 98.48 100.00 3.01e-35 EMBL CAG29317 "PEX14 [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 EMBL CAG46880 "PEX14 [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 GB AAC39843 "peroxisomal membrane anchor protein HsPex14p [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 GB AAH06327 "Peroxisomal biogenesis factor 14 [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 GB AAX36586 "peroxisomal biogenesis factor 14 [synthetic construct]" 95.65 377 98.48 100.00 3.14e-35 GB ABM83701 "peroxisomal biogenesis factor 14 [synthetic construct]" 95.65 377 98.48 100.00 3.14e-35 GB ABM86831 "peroxisomal biogenesis factor 14 [synthetic construct]" 95.65 377 98.48 100.00 3.14e-35 REF NP_001271931 "uncharacterized protein LOC101865931 [Macaca fascicularis]" 95.65 377 98.48 100.00 3.41e-35 REF NP_004556 "peroxisomal membrane protein PEX14 [Homo sapiens]" 95.65 377 98.48 100.00 3.14e-35 REF XP_001118790 "PREDICTED: peroxisomal membrane protein PEX14-like [Macaca mulatta]" 95.65 584 96.97 98.48 4.22e-33 REF XP_001162201 "PREDICTED: peroxisomal membrane protein PEX14 isoform X1 [Pan troglodytes]" 95.65 377 98.48 100.00 3.14e-35 REF XP_002811556 "PREDICTED: LOW QUALITY PROTEIN: peroxisomal membrane protein PEX14 [Pongo abelii]" 95.65 377 98.48 100.00 3.08e-35 SP O75381 "RecName: Full=Peroxisomal membrane protein PEX14; AltName: Full=PTS1 receptor-docking protein; AltName: Full=Peroxin-14; AltNam" 95.65 377 98.48 100.00 3.14e-35 stop_ save_ save_PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR _Molecular_mass 1701.7162 _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence ASEDELVAEFLQDQN loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 57 ALA 2 58 SER 3 59 GLU 4 60 ASP 5 61 GLU 6 62 LEU 7 63 VAL 8 64 ALA 9 65 GLU 10 66 PHE 11 67 LEU 12 68 GLN 13 69 ASP 14 70 GLN 15 71 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 REF XP_004052675 "PREDICTED: peroxisomal targeting signal 1 receptor-like, partial [Gorilla gorilla gorilla]" 100.00 258 100.00 100.00 6.05e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 Human 9606 Eukaryota Metazoa Homo sapiens $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR 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 _Vector_type _Vector_name $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 'recombinant technology' 'Escherichia coli' . . BL21(DE3) n/a n/a $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR 'chemical synthesis' . . . . n/a . 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 $PEROXISOMAL_MEMBRANE_PROTEIN_PEX14 . mM '[U-13C; U-15N]' $PEROXISOMAL_TARGETING_SIGNAL_1_RECEPTOR . mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA1.2_CNS _Saveframe_category software _Name ARIA1.2_CNS _Version any loop_ _Vendor _Address _Electronic_address 'JP Linge, SI O Donoghue and M Nilges' . . stop_ _Details . save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-0 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 0 _Details . save_ ############################# # NMR applied experiments # ############################# save_Experiment_1_1 _Saveframe_category NMR_applied_experiment _Experiment_name Experiment_1 _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [298], pressure [0.0], ionStrength [0.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0 . mM pH 6.500 . pH pressure 1 . atm temperature 298.000 . 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 0.0 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0.0 external 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_1 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex5_4.str.csh' loop_ _Experiment_label Experiment_1 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 'PEROXISOMAL MEMBRANE PROTEIN PEX14' _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 12 1 GLY HA2 H 3.854 . . 2 12 1 GLY HA3 H 3.854 . . 3 12 1 GLY CA C 43.341 . . 4 13 2 ALA HA H 4.364 . . 5 13 2 ALA CA C 52.542 . . 6 13 2 ALA CB C 19.414 . . 7 14 3 MET H H 8.472 . . 8 14 3 MET HA H 4.475 . . 9 14 3 MET HB2 H 2.019 . . 10 14 3 MET HB3 H 2.088 . . 11 14 3 MET HG2 H 2.580 . . 12 14 3 MET HG3 H 2.621 . . 13 14 3 MET CA C 55.324 . . 14 14 3 MET CB C 33.110 . . 15 14 3 MET CG C 31.963 . . 16 14 3 MET N N 120.012 . . 17 15 4 ALA H H 8.407 . . 18 15 4 ALA CA C 52.376 . . 19 15 4 ALA CB C 19.359 . . 20 15 4 ALA N N 125.985 . . 21 16 5 THR H H 8.265 . . 22 16 5 THR HA H 4.593 . . 23 16 5 THR HB H 4.170 . . 24 16 5 THR HG2 H 1.256 . . 25 16 5 THR CA C 59.744 . . 26 16 5 THR CB C 69.724 . . 27 16 5 THR CG2 C 21.482 . . 28 16 5 THR N N 116.264 . . 29 17 6 PRO HA H 4.441 . . 30 17 6 PRO HB2 H 1.967 . . 31 17 6 PRO HB3 H 2.350 . . 32 17 6 PRO HG2 H 2.112 . . 33 17 6 PRO HG3 H 2.112 . . 34 17 6 PRO HD2 H 3.733 . . 35 17 6 PRO HD3 H 3.886 . . 36 17 6 PRO CA C 63.765 . . 37 17 6 PRO CB C 32.036 . . 38 17 6 PRO CG C 27.472 . . 39 17 6 PRO CD C 51.089 . . 40 18 7 GLY H H 8.665 . . 41 18 7 GLY HA2 H 3.993 . . 42 18 7 GLY HA3 H 4.068 . . 43 18 7 GLY CA C 45.385 . . 44 18 7 GLY N N 110.651 . . 45 19 8 SER H H 8.188 . . 46 19 8 SER HA H 4.468 . . 47 19 8 SER HB2 H 3.921 . . 48 19 8 SER HB3 H 3.921 . . 49 19 8 SER CA C 58.654 . . 50 19 8 SER CB C 63.951 . . 51 19 8 SER N N 115.627 . . 52 20 9 GLU H H 8.707 . . 53 20 9 GLU HA H 4.308 . . 54 20 9 GLU HB2 H 1.950 . . 55 20 9 GLU HB3 H 2.068 . . 56 20 9 GLU HG2 H 2.272 . . 57 20 9 GLU HG3 H 2.272 . . 58 20 9 GLU CA C 56.860 . . 59 20 9 GLU CB C 30.060 . . 60 20 9 GLU CG C 36.183 . . 61 20 9 GLU N N 122.373 . . 62 21 10 ASN H H 8.412 . . 63 21 10 ASN HA H 4.733 . . 64 21 10 ASN HB2 H 2.724 . . 65 21 10 ASN HB3 H 2.819 . . 66 21 10 ASN CA C 53.299 . . 67 21 10 ASN CB C 39.038 . . 68 21 10 ASN N N 119.635 . . 69 22 11 VAL H H 8.121 . . 70 22 11 VAL HA H 4.139 . . 71 22 11 VAL HB H 2.071 . . 72 22 11 VAL HG1 H 0.924 . . 73 22 11 VAL HG2 H 0.926 . . 74 22 11 VAL CA C 62.095 . . 75 22 11 VAL CB C 32.722 . . 76 22 11 VAL CG1 C 21.160 . . 77 22 11 VAL CG2 C 20.681 . . 78 22 11 VAL N N 120.913 . . 79 23 12 LEU H H 8.288 . . 80 23 12 LEU HA H 4.656 . . 81 23 12 LEU HB2 H 1.570 . . 82 23 12 LEU HB3 H 1.638 . . 83 23 12 LEU HG H 1.728 . . 84 23 12 LEU HD1 H 0.976 . . 85 23 12 LEU HD2 H 0.937 . . 86 23 12 LEU CA C 53.165 . . 87 23 12 LEU CB C 41.475 . . 88 23 12 LEU CG C 27.169 . . 89 23 12 LEU CD1 C 25.221 . . 90 23 12 LEU CD2 C 23.205 . . 91 23 12 LEU N N 127.553 . . 92 24 13 PRO HA H 4.480 . . 93 24 13 PRO HB2 H 1.854 . . 94 24 13 PRO HB3 H 2.211 . . 95 24 13 PRO HG2 H 1.954 . . 96 24 13 PRO HG3 H 2.065 . . 97 24 13 PRO HD2 H 3.639 . . 98 24 13 PRO HD3 H 3.957 . . 99 24 13 PRO CA C 63.229 . . 100 24 13 PRO CB C 32.676 . . 101 24 13 PRO CG C 27.626 . . 102 24 13 PRO CD C 50.756 . . 103 25 14 ARG H H 9.596 . . 104 25 14 ARG HA H 4.408 . . 105 25 14 ARG HB2 H 1.857 . . 106 25 14 ARG HB3 H 2.056 . . 107 25 14 ARG HG2 H 1.811 . . 108 25 14 ARG HG3 H 1.878 . . 109 25 14 ARG HD2 H 3.087 . . 110 25 14 ARG HD3 H 3.311 . . 111 25 14 ARG CA C 55.216 . . 112 25 14 ARG CB C 29.578 . . 113 25 14 ARG CG C 25.494 . . 114 25 14 ARG CD C 42.784 . . 115 25 14 ARG N N 124.446 . . 116 26 15 GLU H H 8.833 . . 117 26 15 GLU HA H 4.095 . . 118 26 15 GLU HB2 H 2.142 . . 119 26 15 GLU HB3 H 2.142 . . 120 26 15 GLU HG2 H 2.321 . . 121 26 15 GLU HG3 H 2.416 . . 122 26 15 GLU CA C 61.326 . . 123 26 15 GLU CB C 27.149 . . 124 26 15 GLU CG C 36.553 . . 125 26 15 GLU N N 125.404 . . 126 27 16 PRO HA H 4.423 . . 127 27 16 PRO HB2 H 1.851 . . 128 27 16 PRO HB3 H 2.406 . . 129 27 16 PRO HG2 H 2.016 . . 130 27 16 PRO HG3 H 2.102 . . 131 27 16 PRO HD2 H 3.576 . . 132 27 16 PRO HD3 H 3.886 . . 133 27 16 PRO CA C 65.908 . . 134 27 16 PRO CB C 31.268 . . 135 27 16 PRO CG C 28.477 . . 136 27 16 PRO CD C 50.811 . . 137 28 17 LEU H H 6.898 . . 138 28 17 LEU HA H 4.220 . . 139 28 17 LEU HB2 H 1.643 . . 140 28 17 LEU HB3 H 1.705 . . 141 28 17 LEU HG H 1.549 . . 142 28 17 LEU HD1 H 0.847 . . 143 28 17 LEU HD2 H 0.892 . . 144 28 17 LEU CA C 57.211 . . 145 28 17 LEU CB C 41.860 . . 146 28 17 LEU CG C 27.279 . . 147 28 17 LEU CD1 C 24.105 . . 148 28 17 LEU CD2 C 23.487 . . 149 28 17 LEU N N 117.729 . . 150 29 18 ILE H H 7.862 . . 151 29 18 ILE HA H 3.393 . . 152 29 18 ILE HB H 1.888 . . 153 29 18 ILE HG12 H 1.079 . . 154 29 18 ILE HG13 H 1.651 . . 155 29 18 ILE HG2 H 0.794 . . 156 29 18 ILE HD1 H 0.920 . . 157 29 18 ILE CA C 65.722 . . 158 29 18 ILE CB C 38.278 . . 159 29 18 ILE CG1 C 28.836 . . 160 29 18 ILE CG2 C 17.043 . . 161 29 18 ILE CD1 C 14.927 . . 162 29 18 ILE N N 120.087 . . 163 30 19 ALA H H 8.205 . . 164 30 19 ALA HA H 4.057 . . 165 30 19 ALA HB H 1.500 . . 166 30 19 ALA CA C 55.593 . . 167 30 19 ALA CB C 17.922 . . 168 30 19 ALA N N 120.362 . . 169 31 20 THR H H 7.747 . . 170 31 20 THR HA H 3.957 . . 171 31 20 THR HB H 4.202 . . 172 31 20 THR HG2 H 1.244 . . 173 31 20 THR CA C 66.682 . . 174 31 20 THR CB C 68.773 . . 175 31 20 THR CG2 C 22.211 . . 176 31 20 THR N N 115.052 . . 177 32 21 ALA H H 8.224 . . 178 32 21 ALA HA H 3.942 . . 179 32 21 ALA HB H 1.396 . . 180 32 21 ALA CA C 55.396 . . 181 32 21 ALA CB C 18.954 . . 182 32 21 ALA N N 124.841 . . 183 33 22 VAL H H 8.802 . . 184 33 22 VAL HA H 3.318 . . 185 33 22 VAL HB H 2.225 . . 186 33 22 VAL HG1 H 0.699 . . 187 33 22 VAL HG2 H 1.189 . . 188 33 22 VAL CA C 67.656 . . 189 33 22 VAL CB C 31.639 . . 190 33 22 VAL CG1 C 21.033 . . 191 33 22 VAL CG2 C 24.836 . . 192 33 22 VAL N N 119.071 . . 193 34 23 LYS H H 7.046 . . 194 34 23 LYS HB2 H 1.965 . . 195 34 23 LYS HB3 H 1.965 . . 196 34 23 LYS HG2 H 1.663 . . 197 34 23 LYS HG3 H 1.663 . . 198 34 23 LYS HE2 H 3.008 . . 199 34 23 LYS HE3 H 3.008 . . 200 34 23 LYS CA C 59.225 . . 201 34 23 LYS CB C 32.011 . . 202 34 23 LYS CG C 25.378 . . 203 34 23 LYS CE C 42.125 . . 204 34 23 LYS N N 116.567 . . 205 35 24 PHE H H 8.095 . . 206 35 24 PHE HA H 4.029 . . 207 35 24 PHE HB2 H 3.126 . . 208 35 24 PHE HB3 H 3.430 . . 209 35 24 PHE CA C 61.207 . . 210 35 24 PHE CB C 39.177 . . 211 35 24 PHE N N 121.302 . . 212 36 25 LEU H H 8.290 . . 213 36 25 LEU HA H 3.442 . . 214 36 25 LEU HB2 H 1.237 . . 215 36 25 LEU HB3 H 1.812 . . 216 36 25 LEU HG H 2.012 . . 217 36 25 LEU HD1 H 0.166 . . 218 36 25 LEU HD2 H 0.580 . . 219 36 25 LEU CA C 56.141 . . 220 36 25 LEU CB C 41.406 . . 221 36 25 LEU CG C 26.744 . . 222 36 25 LEU CD1 C 25.373 . . 223 36 25 LEU CD2 C 22.217 . . 224 36 25 LEU N N 116.851 . . 225 37 26 GLN H H 7.393 . . 226 37 26 GLN HA H 4.020 . . 227 37 26 GLN HB2 H 2.110 . . 228 37 26 GLN HB3 H 2.110 . . 229 37 26 GLN HG2 H 2.269 . . 230 37 26 GLN HG3 H 2.765 . . 231 37 26 GLN CA C 56.007 . . 232 37 26 GLN CB C 29.170 . . 233 37 26 GLN CG C 34.916 . . 234 37 26 GLN N N 113.001 . . 235 38 27 ASN H H 7.352 . . 236 38 27 ASN HA H 4.380 . . 237 38 27 ASN HB2 H 2.664 . . 238 38 27 ASN HB3 H 2.784 . . 239 38 27 ASN CA C 55.131 . . 240 38 27 ASN CB C 40.024 . . 241 38 27 ASN N N 121.897 . . 242 39 28 SER H H 9.049 . . 243 39 28 SER HA H 3.907 . . 244 39 28 SER CA C 62.898 . . 245 39 28 SER N N 122.227 . . 246 40 29 ARG H H 7.978 . . 247 40 29 ARG HA H 4.228 . . 248 40 29 ARG HB2 H 1.934 . . 249 40 29 ARG HB3 H 1.934 . . 250 40 29 ARG HG2 H 1.653 . . 251 40 29 ARG HG3 H 1.778 . . 252 40 29 ARG HD2 H 3.170 . . 253 40 29 ARG HD3 H 3.248 . . 254 40 29 ARG CA C 58.376 . . 255 40 29 ARG CB C 30.025 . . 256 40 29 ARG CG C 27.607 . . 257 40 29 ARG CD C 43.065 . . 258 40 29 ARG N N 120.158 . . 259 41 30 VAL H H 8.042 . . 260 41 30 VAL HA H 3.410 . . 261 41 30 VAL HB H 1.969 . . 262 41 30 VAL HG1 H -0.242 . . 263 41 30 VAL HG2 H 0.473 . . 264 41 30 VAL CA C 66.318 . . 265 41 30 VAL CB C 31.567 . . 266 41 30 VAL CG1 C 20.632 . . 267 41 30 VAL CG2 C 23.112 . . 268 41 30 VAL N N 123.580 . . 269 42 31 ARG H H 7.879 . . 270 42 31 ARG HA H 3.847 . . 271 42 31 ARG HB2 H 1.739 . . 272 42 31 ARG HB3 H 2.003 . . 273 42 31 ARG HG2 H 1.634 . . 274 42 31 ARG HG3 H 1.812 . . 275 42 31 ARG HD2 H 3.001 . . 276 42 31 ARG HD3 H 3.119 . . 277 42 31 ARG CA C 58.702 . . 278 42 31 ARG CB C 30.598 . . 279 42 31 ARG CG C 27.866 . . 280 42 31 ARG CD C 44.320 . . 281 42 31 ARG N N 116.237 . . 282 43 32 GLN H H 7.197 . . 283 43 32 GLN HA H 4.322 . . 284 43 32 GLN HB2 H 2.309 . . 285 43 32 GLN HB3 H 2.309 . . 286 43 32 GLN HG2 H 2.424 . . 287 43 32 GLN HG3 H 2.622 . . 288 43 32 GLN CA C 56.009 . . 289 43 32 GLN CB C 28.861 . . 290 43 32 GLN CG C 34.177 . . 291 43 32 GLN N N 114.805 . . 292 44 33 SER H H 7.812 . . 293 44 33 SER HA H 4.900 . . 294 44 33 SER HB2 H 4.094 . . 295 44 33 SER HB3 H 4.125 . . 296 44 33 SER CA C 57.953 . . 297 44 33 SER CB C 63.529 . . 298 44 33 SER N N 116.974 . . 299 45 34 PRO HA H 4.556 . . 300 45 34 PRO HB2 H 2.608 . . 301 45 34 PRO HB3 H 2.608 . . 302 45 34 PRO HD2 H 4.115 . . 303 45 34 PRO HD3 H 4.115 . . 304 45 34 PRO CA C 63.614 . . 305 45 34 PRO CB C 32.203 . . 306 45 34 PRO CG C 28.081 . . 307 45 34 PRO CD C 50.870 . . 308 46 35 LEU H H 9.242 . . 309 46 35 LEU HA H 3.903 . . 310 46 35 LEU HB2 H 1.679 . . 311 46 35 LEU HB3 H 1.679 . . 312 46 35 LEU HG H 1.566 . . 313 46 35 LEU HD1 H 0.741 . . 314 46 35 LEU HD2 H 0.741 . . 315 46 35 LEU CA C 59.419 . . 316 46 35 LEU CB C 42.250 . . 317 46 35 LEU CG C 27.238 . . 318 46 35 LEU CD1 C 24.998 . . 319 46 35 LEU CD2 C 24.998 . . 320 46 35 LEU N N 129.342 . . 321 47 36 ALA H H 9.232 . . 322 47 36 ALA HB H 1.519 . . 323 47 36 ALA CA C 55.444 . . 324 47 36 ALA CB C 18.400 . . 325 47 36 ALA N N 118.489 . . 326 48 37 THR H H 7.449 . . 327 48 37 THR HA H 4.306 . . 328 48 37 THR HB H 4.509 . . 329 48 37 THR HG2 H 1.501 . . 330 48 37 THR CA C 65.746 . . 331 48 37 THR CB C 68.802 . . 332 48 37 THR CG2 C 22.683 . . 333 48 37 THR N N 113.690 . . 334 49 38 ARG H H 7.862 . . 335 49 38 ARG HA H 4.051 . . 336 49 38 ARG HB2 H 1.717 . . 337 49 38 ARG HB3 H 2.435 . . 338 49 38 ARG HG2 H 1.348 . . 339 49 38 ARG HG3 H 1.348 . . 340 49 38 ARG HD2 H 2.764 . . 341 49 38 ARG HD3 H 3.249 . . 342 49 38 ARG CA C 60.908 . . 343 49 38 ARG CB C 32.685 . . 344 49 38 ARG CG C 28.577 . . 345 49 38 ARG CD C 44.384 . . 346 49 38 ARG N N 123.102 . . 347 50 39 ARG H H 8.460 . . 348 50 39 ARG HA H 3.969 . . 349 50 39 ARG HB2 H 1.977 . . 350 50 39 ARG HB3 H 1.977 . . 351 50 39 ARG HG2 H 1.544 . . 352 50 39 ARG HG3 H 1.733 . . 353 50 39 ARG HD2 H 3.098 . . 354 50 39 ARG HD3 H 3.241 . . 355 50 39 ARG CA C 60.887 . . 356 50 39 ARG CB C 30.581 . . 357 50 39 ARG CG C 28.953 . . 358 50 39 ARG CD C 42.774 . . 359 50 39 ARG N N 116.847 . . 360 51 40 ALA H H 8.209 . . 361 51 40 ALA HA H 4.152 . . 362 51 40 ALA HB H 1.651 . . 363 51 40 ALA CA C 55.198 . . 364 51 40 ALA CB C 18.244 . . 365 51 40 ALA N N 119.201 . . 366 52 41 PHE H H 8.098 . . 367 52 41 PHE HA H 4.460 . . 368 52 41 PHE HB2 H 3.152 . . 369 52 41 PHE HB3 H 3.763 . . 370 52 41 PHE CA C 61.527 . . 371 52 41 PHE CB C 39.962 . . 372 52 41 PHE N N 119.265 . . 373 53 42 LEU H H 7.555 . . 374 53 42 LEU HA H 3.683 . . 375 53 42 LEU HB2 H 1.272 . . 376 53 42 LEU HB3 H 2.017 . . 377 53 42 LEU HG H 1.318 . . 378 53 42 LEU HD1 H 0.572 . . 379 53 42 LEU HD2 H 0.572 . . 380 53 42 LEU CA C 57.655 . . 381 53 42 LEU CB C 41.293 . . 382 53 42 LEU CG C 26.653 . . 383 53 42 LEU CD1 C 20.950 . . 384 53 42 LEU CD2 C 20.950 . . 385 53 42 LEU N N 117.210 . . 386 54 43 LYS H H 8.204 . . 387 54 43 LYS HA H 4.303 . . 388 54 43 LYS HB2 H 1.823 . . 389 54 43 LYS HB3 H 1.911 . . 390 54 43 LYS HG2 H 1.427 . . 391 54 43 LYS HG3 H 1.551 . . 392 54 43 LYS HD2 H 1.657 . . 393 54 43 LYS HD3 H 1.784 . . 394 54 43 LYS HE2 H 2.964 . . 395 54 43 LYS HE3 H 2.964 . . 396 54 43 LYS CA C 58.656 . . 397 54 43 LYS CB C 31.254 . . 398 54 43 LYS CG C 24.164 . . 399 54 43 LYS CD C 28.233 . . 400 54 43 LYS CE C 41.662 . . 401 54 43 LYS N N 120.021 . . 402 55 44 LYS H H 8.018 . . 403 55 44 LYS HA H 4.028 . . 404 55 44 LYS HG2 H 1.351 . . 405 55 44 LYS HG3 H 1.535 . . 406 55 44 LYS HD2 H 1.685 . . 407 55 44 LYS HD3 H 1.753 . . 408 55 44 LYS HE2 H 2.979 . . 409 55 44 LYS HE3 H 2.979 . . 410 55 44 LYS CA C 59.275 . . 411 55 44 LYS CB C 31.694 . . 412 55 44 LYS CG C 25.141 . . 413 55 44 LYS CD C 29.817 . . 414 55 44 LYS CE C 42.076 . . 415 55 44 LYS N N 123.731 . . 416 56 45 LYS H H 7.383 . . 417 56 45 LYS HA H 4.059 . . 418 56 45 LYS HB2 H 1.544 . . 419 56 45 LYS HB3 H 1.766 . . 420 56 45 LYS HG2 H 0.513 . . 421 56 45 LYS HG3 H 0.733 . . 422 56 45 LYS HD2 H 1.199 . . 423 56 45 LYS HD3 H 1.305 . . 424 56 45 LYS HE2 H 2.359 . . 425 56 45 LYS HE3 H 2.681 . . 426 56 45 LYS CA C 53.852 . . 427 56 45 LYS CB C 29.293 . . 428 56 45 LYS CG C 22.369 . . 429 56 45 LYS CD C 26.050 . . 430 56 45 LYS CE C 41.453 . . 431 56 45 LYS N N 115.496 . . 432 57 46 GLY H H 7.651 . . 433 57 46 GLY HA2 H 3.667 . . 434 57 46 GLY HA3 H 4.285 . . 435 57 46 GLY CA C 45.335 . . 436 57 46 GLY N N 105.555 . . 437 58 47 LEU H H 7.618 . . 438 58 47 LEU HA H 4.438 . . 439 58 47 LEU HB2 H 1.187 . . 440 58 47 LEU HB3 H 1.853 . . 441 58 47 LEU HG H 1.650 . . 442 58 47 LEU HD1 H 0.647 . . 443 58 47 LEU HD2 H 0.755 . . 444 58 47 LEU CA C 57.479 . . 445 58 47 LEU CB C 42.304 . . 446 58 47 LEU CG C 31.401 . . 447 58 47 LEU CD1 C 26.263 . . 448 58 47 LEU CD2 C 24.297 . . 449 58 47 LEU N N 122.950 . . 450 59 48 THR H H 9.207 . . 451 59 48 THR HA H 4.340 . . 452 59 48 THR HB H 4.733 . . 453 59 48 THR HG2 H 1.274 . . 454 59 48 THR CA C 60.292 . . 455 59 48 THR CB C 70.884 . . 456 59 48 THR CG2 C 21.670 . . 457 59 48 THR N N 112.790 . . 458 60 49 ASP H H 8.911 . . 459 60 49 ASP HA H 4.239 . . 460 60 49 ASP HB2 H 2.520 . . 461 60 49 ASP CA C 58.772 . . 462 60 49 ASP CB C 40.224 . . 463 60 49 ASP N N 120.317 . . 464 61 50 GLU H H 8.430 . . 465 61 50 GLU HA H 4.111 . . 466 61 50 GLU HB2 H 1.893 . . 467 61 50 GLU HB3 H 2.059 . . 468 61 50 GLU HG2 H 2.309 . . 469 61 50 GLU HG3 H 2.309 . . 470 61 50 GLU CA C 59.942 . . 471 61 50 GLU CB C 29.644 . . 472 61 50 GLU CG C 36.672 . . 473 61 50 GLU N N 118.753 . . 474 62 51 GLU H H 7.833 . . 475 62 51 GLU HA H 3.845 . . 476 62 51 GLU HB2 H 1.661 . . 477 62 51 GLU HB3 H 2.513 . . 478 62 51 GLU HG2 H 2.176 . . 479 62 51 GLU HG3 H 2.462 . . 480 62 51 GLU CA C 59.256 . . 481 62 51 GLU CB C 29.923 . . 482 62 51 GLU CG C 37.744 . . 483 62 51 GLU N N 119.943 . . 484 63 52 ILE H H 8.585 . . 485 63 52 ILE HA H 3.322 . . 486 63 52 ILE HB H 1.905 . . 487 63 52 ILE HG12 H 0.569 . . 488 63 52 ILE HG13 H 1.933 . . 489 63 52 ILE HG2 H 0.875 . . 490 63 52 ILE HD1 H 0.708 . . 491 63 52 ILE CA C 66.400 . . 492 63 52 ILE CB C 38.373 . . 493 63 52 ILE CG1 C 30.922 . . 494 63 52 ILE CG2 C 18.506 . . 495 63 52 ILE CD1 C 14.407 . . 496 63 52 ILE N N 119.973 . . 497 64 53 ASP H H 8.550 . . 498 64 53 ASP HA H 4.450 . . 499 64 53 ASP HB2 H 2.698 . . 500 64 53 ASP HB3 H 2.847 . . 501 64 53 ASP CA C 58.199 . . 502 64 53 ASP CB C 39.901 . . 503 64 53 ASP N N 120.819 . . 504 65 54 MET H H 8.139 . . 505 65 54 MET HA H 4.153 . . 506 65 54 MET HB2 H 2.856 . . 507 65 54 MET HB3 H 2.856 . . 508 65 54 MET CA C 59.418 . . 509 65 54 MET CB C 32.828 . . 510 65 54 MET N N 120.055 . . 511 66 55 ALA H H 8.599 . . 512 66 55 ALA HA H 3.938 . . 513 66 55 ALA HB H 1.318 . . 514 66 55 ALA CA C 54.549 . . 515 66 55 ALA CB C 17.990 . . 516 66 55 ALA N N 122.648 . . 517 67 56 PHE H H 9.210 . . 518 67 56 PHE HA H 3.976 . . 519 67 56 PHE HB2 H 3.051 . . 520 67 56 PHE HB3 H 3.333 . . 521 67 56 PHE CA C 62.497 . . 522 67 56 PHE CB C 38.231 . . 523 67 56 PHE N N 119.756 . . 524 68 57 GLN H H 8.348 . . 525 68 57 GLN HA H 4.115 . . 526 68 57 GLN HB2 H 2.299 . . 527 68 57 GLN HB3 H 2.299 . . 528 68 57 GLN HG2 H 2.462 . . 529 68 57 GLN HG3 H 2.554 . . 530 68 57 GLN CA C 59.544 . . 531 68 57 GLN CB C 28.391 . . 532 68 57 GLN CG C 33.639 . . 533 68 57 GLN N N 120.555 . . 534 69 58 GLN H H 8.701 . . 535 69 58 GLN HA H 4.120 . . 536 69 58 GLN HB2 H 2.132 . . 537 69 58 GLN HB3 H 2.132 . . 538 69 58 GLN HG2 H 2.401 . . 539 69 58 GLN HG3 H 2.639 . . 540 69 58 GLN CA C 58.284 . . 541 69 58 GLN CB C 29.278 . . 542 69 58 GLN CG C 34.595 . . 543 69 58 GLN N N 117.927 . . 544 70 59 SER H H 8.106 . . 545 70 59 SER HA H 4.301 . . 546 70 59 SER HB2 H 3.906 . . 547 70 59 SER HB3 H 4.152 . . 548 70 59 SER CA C 59.549 . . 549 70 59 SER CB C 64.818 . . 550 70 59 SER N N 110.847 . . 551 71 60 GLY H H 7.683 . . 552 71 60 GLY HA2 H 4.106 . . 553 71 60 GLY HA3 H 4.127 . . 554 71 60 GLY CA C 46.562 . . 555 71 60 GLY N N 110.584 . . 556 72 61 THR H H 7.927 . . 557 72 61 THR HA H 4.375 . . 558 72 61 THR HB H 4.262 . . 559 72 61 THR HG2 H 0.965 . . 560 72 61 THR CA C 62.276 . . 561 72 61 THR CB C 69.800 . . 562 72 61 THR CG2 C 21.080 . . 563 72 61 THR N N 111.244 . . 564 73 62 ALA H H 8.308 . . 565 73 62 ALA HA H 4.230 . . 566 73 62 ALA HB H 1.359 . . 567 73 62 ALA CA C 53.124 . . 568 73 62 ALA CB C 19.242 . . 569 73 62 ALA N N 126.006 . . 570 74 63 ALA H H 8.095 . . 571 74 63 ALA CA C 52.221 . . 572 74 63 ALA CB C 19.253 . . 573 74 63 ALA N N 121.326 . . 574 75 64 ASP H H 8.039 . . 575 75 64 ASP HA H 4.576 . . 576 75 64 ASP HB2 H 2.622 . . 577 75 64 ASP HB3 H 2.708 . . 578 75 64 ASP CA C 54.403 . . 579 75 64 ASP CB C 41.273 . . 580 75 64 ASP N N 119.168 . . 581 76 65 GLU H H 8.168 . . 582 76 65 GLU HA H 4.639 . . 583 76 65 GLU HB2 H 1.914 . . 584 76 65 GLU HB3 H 2.061 . . 585 76 65 GLU HG2 H 2.294 . . 586 76 65 GLU HG3 H 2.294 . . 587 76 65 GLU CA C 54.238 . . 588 76 65 GLU CB C 30.063 . . 589 76 65 GLU CG C 35.931 . . 590 76 65 GLU N N 121.765 . . 591 77 66 PRO HA H 4.424 . . 592 77 66 PRO HB2 H 1.944 . . 593 77 66 PRO HB3 H 2.313 . . 594 77 66 PRO HG2 H 2.028 . . 595 77 66 PRO HG3 H 2.028 . . 596 77 66 PRO HD2 H 3.796 . . 597 77 66 PRO HD3 H 3.796 . . 598 77 66 PRO CA C 63.474 . . 599 77 66 PRO CB C 32.103 . . 600 77 66 PRO CG C 27.380 . . 601 77 66 PRO CD C 50.722 . . 602 78 67 SER H H 8.331 . . 603 78 67 SER HA H 4.274 . . 604 78 67 SER HB2 H 3.740 . . 605 78 67 SER HB3 H 3.740 . . 606 78 67 SER CA C 58.468 . . 607 78 67 SER CB C 63.797 . . 608 78 67 SER N N 115.526 . . 609 79 68 SER H H 8.234 . . 610 79 68 SER HA H 4.403 . . 611 79 68 SER HB2 H 3.799 . . 612 79 68 SER HB3 H 3.799 . . 613 79 68 SER CA C 58.375 . . 614 79 68 SER CB C 63.780 . . 615 79 68 SER N N 117.616 . . 616 80 69 LEU H H 8.031 . . 617 80 69 LEU HA H 4.267 . . 618 80 69 LEU HB2 H 1.389 . . 619 80 69 LEU HB3 H 1.389 . . 620 80 69 LEU HG H 1.487 . . 621 80 69 LEU HD1 H 0.846 . . 622 80 69 LEU HD2 H 0.781 . . 623 80 69 LEU CA C 55.325 . . 624 80 69 LEU CB C 42.355 . . 625 80 69 LEU CG C 26.849 . . 626 80 69 LEU CD1 C 25.003 . . 627 80 69 LEU CD2 C 23.203 . . 628 80 69 LEU N N 123.677 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex5_4.str.csh' loop_ _Experiment_label Experiment_1 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 'PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR' _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 57 1 ALA H H 8.663 . 1 2 57 1 ALA HA H 4.447 . 1 3 57 1 ALA HB H 1.419 . 1 4 58 2 SER H H 8.573 . 1 5 58 2 SER HA H 4.475 . 1 6 58 2 SER HB2 H 3.983 . 2 7 58 2 SER HB3 H 4.158 . 2 8 59 3 GLU H H 9.755 . 1 9 59 3 GLU HA H 4.106 . 1 10 60 4 ASP H H 8.168 . 1 11 60 4 ASP HA H 4.445 . 1 12 61 5 GLU H H 7.994 . 1 13 61 5 GLU HA H 4.149 . 1 14 62 6 LEU H H 8.063 . 1 15 62 6 LEU HA H 4.296 . 1 16 62 6 LEU HB2 H 1.749 . 2 17 62 6 LEU HB3 H 2.018 . 2 18 62 6 LEU HG H 1.304 . 1 19 63 7 VAL H H 8.375 . 1 20 63 7 VAL HA H 3.556 . 1 21 63 7 VAL HB H 2.236 . 1 22 63 7 VAL HG1 H 0.922 . 2 23 63 7 VAL HG2 H 1.249 . 2 24 64 8 ALA H H 7.886 . 1 25 64 8 ALA HA H 4.053 . 1 26 64 8 ALA HB H 1.502 . 1 27 65 9 GLU H H 7.981 . 1 28 65 9 GLU HA H 4.026 . 1 29 66 10 PHE H H 8.347 . 1 30 66 10 PHE HA H 3.595 . 1 31 67 11 LEU H H 8.287 . 1 32 67 11 LEU HA H 3.883 . 1 33 67 11 LEU HB2 H 1.816 . 2 34 67 11 LEU HB3 H 2.029 . 2 35 67 11 LEU HG H 1.453 . 1 36 67 11 LEU HD1 H 0.745 . 2 37 67 11 LEU HD2 H 0.819 . 2 38 68 12 GLN H H 7.597 . 1 39 68 12 GLN HA H 4.118 . 1 40 68 12 GLN HE21 H 6.861 . 1 41 68 12 GLN HE22 H 7.535 . 1 42 69 13 ASP H H 7.745 . 1 43 69 13 ASP HA H 4.623 . 1 44 70 14 GLN H H 7.681 . 1 45 70 14 GLN HA H 4.270 . 1 46 70 14 GLN HG2 H 2.077 . 2 47 70 14 GLN HG3 H 2.151 . 2 48 70 14 GLN HE21 H 6.510 . 1 49 70 14 GLN HE22 H 7.015 . 1 50 71 15 ASN H H 7.830 . 1 51 71 15 ASN HA H 4.452 . 1 52 71 15 ASN HB2 H 2.638 . 2 53 71 15 ASN HB3 H 2.758 . 2 54 71 15 ASN HD21 H 6.788 . 1 55 71 15 ASN HD22 H 7.470 . 1 stop_ save_ save_assigned_chem_shift_list_1_2_1 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex14_new_2.str.csh' loop_ _Experiment_label Experiment_1 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 'PEROXISOMAL MEMBRANE PROTEIN PEX14' _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 12 1 GLY CA C 43.341 . 1 2 13 2 ALA HA H 4.364 . 1 3 13 2 ALA CA C 52.542 . 1 4 13 2 ALA CB C 19.414 . 1 5 14 3 MET H H 8.472 . 1 6 14 3 MET HA H 4.475 . 1 7 14 3 MET HB2 H 2.019 . 2 8 14 3 MET HB3 H 2.088 . 2 9 14 3 MET HG2 H 2.580 . 2 10 14 3 MET HG3 H 2.621 . 2 11 14 3 MET CA C 55.324 . 1 12 14 3 MET CB C 33.110 . 1 13 14 3 MET CG C 31.963 . 1 14 14 3 MET N N 120.012 . 1 15 15 4 ALA H H 8.407 . 1 16 15 4 ALA CA C 52.376 . 1 17 15 4 ALA CB C 19.359 . 1 18 15 4 ALA N N 125.985 . 1 19 16 5 THR H H 8.265 . 1 20 16 5 THR HA H 4.593 . 1 21 16 5 THR HB H 4.170 . 1 22 16 5 THR HG2 H 1.256 . 1 23 16 5 THR CA C 59.744 . 1 24 16 5 THR CB C 69.724 . 1 25 16 5 THR N N 116.264 . 1 26 17 6 PRO HA H 4.441 . 1 27 17 6 PRO HB2 H 1.967 . 2 28 17 6 PRO HB3 H 2.350 . 2 29 17 6 PRO HD2 H 3.733 . 2 30 17 6 PRO HD3 H 3.886 . 2 31 17 6 PRO CA C 63.765 . 1 32 17 6 PRO CB C 32.036 . 1 33 17 6 PRO CG C 27.472 . 1 34 17 6 PRO CD C 51.089 . 1 35 18 7 GLY H H 8.665 . 1 36 18 7 GLY HA2 H 3.993 . 2 37 18 7 GLY HA3 H 4.068 . 2 38 18 7 GLY CA C 45.385 . 1 39 18 7 GLY N N 110.651 . 1 40 19 8 SER H H 8.188 . 1 41 19 8 SER HA H 4.468 . 1 42 19 8 SER CA C 58.654 . 1 43 19 8 SER CB C 63.951 . 1 44 19 8 SER N N 115.627 . 1 45 20 9 GLU H H 8.707 . 1 46 20 9 GLU HA H 4.308 . 1 47 20 9 GLU HB2 H 1.950 . 2 48 20 9 GLU HB3 H 2.068 . 2 49 20 9 GLU CA C 56.860 . 1 50 20 9 GLU CB C 30.060 . 1 51 20 9 GLU CG C 36.183 . 1 52 20 9 GLU N N 122.373 . 1 53 21 10 ASN H H 8.412 . 1 54 21 10 ASN HA H 4.733 . 1 55 21 10 ASN HB2 H 2.724 . 2 56 21 10 ASN HB3 H 2.819 . 2 57 21 10 ASN CA C 53.299 . 1 58 21 10 ASN CB C 39.038 . 1 59 21 10 ASN N N 119.635 . 1 60 22 11 VAL H H 8.121 . 1 61 22 11 VAL HA H 4.139 . 1 62 22 11 VAL HB H 2.071 . 1 63 22 11 VAL HG1 H 0.924 . 2 64 22 11 VAL HG2 H 0.926 . 2 65 22 11 VAL CA C 62.095 . 1 66 22 11 VAL CB C 32.722 . 1 67 22 11 VAL CG1 C 21.160 . 2 68 22 11 VAL CG2 C 20.681 . 2 69 22 11 VAL N N 120.913 . 1 70 23 12 LEU H H 8.288 . 1 71 23 12 LEU HA H 4.656 . 1 72 23 12 LEU HB2 H 1.570 . 2 73 23 12 LEU HB3 H 1.638 . 2 74 23 12 LEU HG H 1.728 . 1 75 23 12 LEU HD1 H 0.976 . 2 76 23 12 LEU HD2 H 0.937 . 2 77 23 12 LEU CA C 53.165 . 1 78 23 12 LEU CB C 41.475 . 1 79 23 12 LEU CG C 27.169 . 1 80 23 12 LEU CD1 C 25.221 . 2 81 23 12 LEU CD2 C 23.205 . 2 82 23 12 LEU N N 127.553 . 1 83 24 13 PRO HA H 4.480 . 1 84 24 13 PRO HB2 H 1.854 . 2 85 24 13 PRO HB3 H 2.211 . 2 86 24 13 PRO HG2 H 1.954 . 2 87 24 13 PRO HG3 H 2.065 . 2 88 24 13 PRO HD2 H 3.639 . 2 89 24 13 PRO HD3 H 3.957 . 2 90 24 13 PRO CA C 63.229 . 1 91 24 13 PRO CB C 32.676 . 1 92 24 13 PRO CG C 27.626 . 1 93 24 13 PRO CD C 50.756 . 1 94 25 14 ARG H H 9.596 . 1 95 25 14 ARG HA H 4.408 . 1 96 25 14 ARG HB2 H 1.857 . 2 97 25 14 ARG HB3 H 2.056 . 2 98 25 14 ARG HG2 H 1.811 . 2 99 25 14 ARG HG3 H 1.878 . 2 100 25 14 ARG HD2 H 3.087 . 2 101 25 14 ARG HD3 H 3.311 . 2 102 25 14 ARG CA C 55.216 . 1 103 25 14 ARG CB C 29.578 . 1 104 25 14 ARG CG C 25.494 . 1 105 25 14 ARG CD C 42.784 . 1 106 25 14 ARG N N 124.446 . 1 107 26 15 GLU H H 8.833 . 1 108 26 15 GLU HA H 4.095 . 1 109 26 15 GLU HG2 H 2.321 . 2 110 26 15 GLU HG3 H 2.416 . 2 111 26 15 GLU CA C 61.326 . 1 112 26 15 GLU CB C 27.149 . 1 113 26 15 GLU CG C 36.553 . 1 114 26 15 GLU N N 125.404 . 1 115 27 16 PRO HA H 4.423 . 1 116 27 16 PRO HB2 H 1.851 . 2 117 27 16 PRO HB3 H 2.406 . 2 118 27 16 PRO HG2 H 2.016 . 2 119 27 16 PRO HG3 H 2.102 . 2 120 27 16 PRO HD2 H 3.576 . 2 121 27 16 PRO HD3 H 3.886 . 2 122 27 16 PRO CA C 65.908 . 1 123 27 16 PRO CB C 31.268 . 1 124 27 16 PRO CG C 28.477 . 1 125 27 16 PRO CD C 50.811 . 1 126 28 17 LEU H H 6.898 . 1 127 28 17 LEU HA H 4.220 . 1 128 28 17 LEU HB2 H 1.643 . 2 129 28 17 LEU HB3 H 1.705 . 2 130 28 17 LEU HG H 1.549 . 1 131 28 17 LEU HD1 H 0.847 . 2 132 28 17 LEU HD2 H 0.892 . 2 133 28 17 LEU CA C 57.211 . 1 134 28 17 LEU CB C 41.860 . 1 135 28 17 LEU CG C 27.279 . 1 136 28 17 LEU CD1 C 24.105 . 2 137 28 17 LEU CD2 C 23.487 . 2 138 28 17 LEU N N 117.729 . 1 139 29 18 ILE H H 7.862 . 1 140 29 18 ILE HA H 3.393 . 1 141 29 18 ILE HB H 1.888 . 1 142 29 18 ILE HG12 H 1.079 . 2 143 29 18 ILE HG13 H 1.651 . 2 144 29 18 ILE HG2 H 0.794 . 1 145 29 18 ILE HD1 H 0.920 . 1 146 29 18 ILE CA C 65.722 . 1 147 29 18 ILE CB C 38.278 . 1 148 29 18 ILE CG1 C 28.836 . 1 149 29 18 ILE CG2 C 17.043 . 1 150 29 18 ILE CD1 C 14.927 . 1 151 29 18 ILE N N 120.087 . 1 152 30 19 ALA H H 8.205 . 1 153 30 19 ALA HA H 4.057 . 1 154 30 19 ALA HB H 1.500 . 1 155 30 19 ALA CA C 55.593 . 1 156 30 19 ALA CB C 17.922 . 1 157 30 19 ALA N N 120.362 . 1 158 31 20 THR H H 7.747 . 1 159 31 20 THR HA H 3.957 . 1 160 31 20 THR HB H 4.202 . 1 161 31 20 THR HG2 H 1.244 . 1 162 31 20 THR CA C 66.682 . 1 163 31 20 THR CB C 68.773 . 1 164 31 20 THR N N 115.052 . 1 165 32 21 ALA H H 8.224 . 1 166 32 21 ALA HA H 3.942 . 1 167 32 21 ALA HB H 1.396 . 1 168 32 21 ALA CA C 55.396 . 1 169 32 21 ALA CB C 18.954 . 1 170 32 21 ALA N N 124.841 . 1 171 33 22 VAL H H 8.802 . 1 172 33 22 VAL HA H 3.318 . 1 173 33 22 VAL HB H 2.225 . 1 174 33 22 VAL HG1 H 0.699 . 2 175 33 22 VAL HG2 H 1.189 . 2 176 33 22 VAL CA C 67.656 . 1 177 33 22 VAL CB C 31.639 . 1 178 33 22 VAL CG1 C 21.033 . 2 179 33 22 VAL CG2 C 24.836 . 2 180 33 22 VAL N N 119.071 . 1 181 34 23 LYS H H 7.046 . 1 182 34 23 LYS CA C 59.225 . 1 183 34 23 LYS CB C 32.011 . 1 184 34 23 LYS CG C 25.378 . 1 185 34 23 LYS CE C 42.125 . 1 186 34 23 LYS N N 116.567 . 1 187 35 24 PHE H H 8.095 . 1 188 35 24 PHE HA H 4.029 . 1 189 35 24 PHE HB2 H 3.126 . 2 190 35 24 PHE HB3 H 3.430 . 2 191 35 24 PHE CA C 61.207 . 1 192 35 24 PHE CB C 39.177 . 1 193 35 24 PHE N N 121.302 . 1 194 36 25 LEU H H 8.290 . 1 195 36 25 LEU HA H 3.442 . 1 196 36 25 LEU HB2 H 1.237 . 2 197 36 25 LEU HB3 H 1.812 . 2 198 36 25 LEU HG H 2.012 . 1 199 36 25 LEU HD1 H 0.166 . 2 200 36 25 LEU HD2 H 0.580 . 2 201 36 25 LEU CA C 56.141 . 1 202 36 25 LEU CB C 41.406 . 1 203 36 25 LEU CG C 26.744 . 1 204 36 25 LEU CD1 C 25.373 . 2 205 36 25 LEU CD2 C 22.217 . 2 206 36 25 LEU N N 116.851 . 1 207 37 26 GLN H H 7.393 . 1 208 37 26 GLN HA H 4.020 . 1 209 37 26 GLN HG2 H 2.269 . 2 210 37 26 GLN HG3 H 2.765 . 2 211 37 26 GLN CA C 56.007 . 1 212 37 26 GLN CB C 29.170 . 1 213 37 26 GLN CG C 34.916 . 1 214 37 26 GLN N N 113.001 . 1 215 38 27 ASN H H 7.352 . 1 216 38 27 ASN HA H 4.380 . 1 217 38 27 ASN HB2 H 2.664 . 2 218 38 27 ASN HB3 H 2.784 . 2 219 38 27 ASN CA C 55.131 . 1 220 38 27 ASN CB C 40.024 . 1 221 38 27 ASN N N 121.897 . 1 222 39 28 SER H H 9.049 . 1 223 39 28 SER HA H 3.907 . 1 224 39 28 SER CA C 62.898 . 1 225 39 28 SER N N 122.227 . 1 226 40 29 ARG H H 7.978 . 1 227 40 29 ARG HA H 4.228 . 1 228 40 29 ARG HG2 H 1.653 . 2 229 40 29 ARG HG3 H 1.778 . 2 230 40 29 ARG HD2 H 3.170 . 2 231 40 29 ARG HD3 H 3.248 . 2 232 40 29 ARG CA C 58.376 . 1 233 40 29 ARG CB C 30.025 . 1 234 40 29 ARG CG C 27.607 . 1 235 40 29 ARG CD C 43.065 . 1 236 40 29 ARG N N 120.158 . 1 237 41 30 VAL H H 8.042 . 1 238 41 30 VAL HA H 3.410 . 1 239 41 30 VAL HB H 1.969 . 1 240 41 30 VAL HG1 H -0.242 . 2 241 41 30 VAL HG2 H 0.473 . 2 242 41 30 VAL CA C 66.318 . 1 243 41 30 VAL CB C 31.567 . 1 244 41 30 VAL CG1 C 20.632 . 2 245 41 30 VAL CG2 C 23.112 . 2 246 41 30 VAL N N 123.580 . 1 247 42 31 ARG H H 7.879 . 1 248 42 31 ARG HA H 3.847 . 1 249 42 31 ARG HB2 H 1.739 . 2 250 42 31 ARG HB3 H 2.003 . 2 251 42 31 ARG HG2 H 1.634 . 2 252 42 31 ARG HG3 H 1.812 . 2 253 42 31 ARG HD2 H 3.001 . 2 254 42 31 ARG HD3 H 3.119 . 2 255 42 31 ARG CA C 58.702 . 1 256 42 31 ARG CB C 30.598 . 1 257 42 31 ARG CG C 27.866 . 1 258 42 31 ARG CD C 44.320 . 1 259 42 31 ARG N N 116.237 . 1 260 43 32 GLN H H 7.197 . 1 261 43 32 GLN HA H 4.322 . 1 262 43 32 GLN HG2 H 2.424 . 2 263 43 32 GLN HG3 H 2.622 . 2 264 43 32 GLN CA C 56.009 . 1 265 43 32 GLN CB C 28.861 . 1 266 43 32 GLN CG C 34.177 . 1 267 43 32 GLN N N 114.805 . 1 268 44 33 SER H H 7.812 . 1 269 44 33 SER HA H 4.900 . 1 270 44 33 SER HB2 H 4.094 . 2 271 44 33 SER HB3 H 4.125 . 2 272 44 33 SER CA C 57.953 . 1 273 44 33 SER CB C 63.529 . 1 274 44 33 SER N N 116.974 . 1 275 45 34 PRO HA H 4.556 . 1 276 45 34 PRO CA C 63.614 . 1 277 45 34 PRO CB C 32.203 . 1 278 45 34 PRO CG C 28.081 . 1 279 45 34 PRO CD C 50.870 . 1 280 46 35 LEU H H 9.242 . 1 281 46 35 LEU HA H 3.903 . 1 282 46 35 LEU HG H 1.566 . 1 283 46 35 LEU CA C 59.419 . 1 284 46 35 LEU CB C 42.250 . 1 285 46 35 LEU CG C 27.238 . 1 286 46 35 LEU N N 129.342 . 1 287 47 36 ALA H H 9.232 . 1 288 47 36 ALA HB H 1.519 . 1 289 47 36 ALA CA C 55.444 . 1 290 47 36 ALA CB C 18.400 . 1 291 47 36 ALA N N 118.489 . 1 292 48 37 THR H H 7.449 . 1 293 48 37 THR HA H 4.306 . 1 294 48 37 THR HB H 4.509 . 1 295 48 37 THR HG2 H 1.501 . 1 296 48 37 THR CA C 65.746 . 1 297 48 37 THR CB C 68.802 . 1 298 48 37 THR N N 113.690 . 1 299 49 38 ARG H H 7.862 . 1 300 49 38 ARG HA H 4.051 . 1 301 49 38 ARG HB2 H 1.717 . 2 302 49 38 ARG HB3 H 2.435 . 2 303 49 38 ARG HD2 H 2.764 . 2 304 49 38 ARG HD3 H 3.249 . 2 305 49 38 ARG CA C 60.908 . 1 306 49 38 ARG CB C 32.685 . 1 307 49 38 ARG CG C 28.577 . 1 308 49 38 ARG CD C 44.384 . 1 309 49 38 ARG N N 123.102 . 1 310 50 39 ARG H H 8.460 . 1 311 50 39 ARG HA H 3.969 . 1 312 50 39 ARG HG2 H 1.544 . 2 313 50 39 ARG HG3 H 1.733 . 2 314 50 39 ARG HD2 H 3.098 . 2 315 50 39 ARG HD3 H 3.241 . 2 316 50 39 ARG CA C 60.887 . 1 317 50 39 ARG CB C 30.581 . 1 318 50 39 ARG CG C 28.953 . 1 319 50 39 ARG CD C 42.774 . 1 320 50 39 ARG N N 116.847 . 1 321 51 40 ALA H H 8.209 . 1 322 51 40 ALA HA H 4.152 . 1 323 51 40 ALA HB H 1.651 . 1 324 51 40 ALA CA C 55.198 . 1 325 51 40 ALA CB C 18.244 . 1 326 51 40 ALA N N 119.201 . 1 327 52 41 PHE H H 8.098 . 1 328 52 41 PHE HA H 4.460 . 1 329 52 41 PHE HB2 H 3.152 . 2 330 52 41 PHE HB3 H 3.763 . 2 331 52 41 PHE CA C 61.527 . 1 332 52 41 PHE CB C 39.962 . 1 333 52 41 PHE N N 119.265 . 1 334 53 42 LEU H H 7.555 . 1 335 53 42 LEU HA H 3.683 . 1 336 53 42 LEU HB2 H 1.272 . 2 337 53 42 LEU HB3 H 2.017 . 2 338 53 42 LEU HG H 1.318 . 1 339 53 42 LEU CA C 57.655 . 1 340 53 42 LEU CB C 41.293 . 1 341 53 42 LEU CG C 26.653 . 1 342 53 42 LEU N N 117.210 . 1 343 54 43 LYS H H 8.204 . 1 344 54 43 LYS HA H 4.303 . 1 345 54 43 LYS HB2 H 1.823 . 2 346 54 43 LYS HB3 H 1.911 . 2 347 54 43 LYS HG2 H 1.427 . 2 348 54 43 LYS HG3 H 1.551 . 2 349 54 43 LYS HD2 H 1.657 . 2 350 54 43 LYS HD3 H 1.784 . 2 351 54 43 LYS CA C 58.656 . 1 352 54 43 LYS CB C 31.254 . 1 353 54 43 LYS CG C 24.164 . 1 354 54 43 LYS CD C 28.233 . 1 355 54 43 LYS CE C 41.662 . 1 356 54 43 LYS N N 120.021 . 1 357 55 44 LYS H H 8.018 . 1 358 55 44 LYS HA H 4.028 . 1 359 55 44 LYS HG2 H 1.351 . 2 360 55 44 LYS HG3 H 1.535 . 2 361 55 44 LYS HD2 H 1.685 . 2 362 55 44 LYS HD3 H 1.753 . 2 363 55 44 LYS CA C 59.275 . 1 364 55 44 LYS CB C 31.694 . 1 365 55 44 LYS CG C 25.141 . 1 366 55 44 LYS CD C 29.817 . 1 367 55 44 LYS CE C 42.076 . 1 368 55 44 LYS N N 123.731 . 1 369 56 45 LYS H H 7.383 . 1 370 56 45 LYS HA H 4.059 . 1 371 56 45 LYS HB2 H 1.544 . 2 372 56 45 LYS HB3 H 1.766 . 2 373 56 45 LYS HG2 H 0.513 . 2 374 56 45 LYS HG3 H 0.733 . 2 375 56 45 LYS HD2 H 1.199 . 2 376 56 45 LYS HD3 H 1.305 . 2 377 56 45 LYS HE2 H 2.359 . 2 378 56 45 LYS HE3 H 2.681 . 2 379 56 45 LYS CA C 53.852 . 1 380 56 45 LYS CB C 29.293 . 1 381 56 45 LYS CG C 22.369 . 1 382 56 45 LYS CD C 26.050 . 1 383 56 45 LYS CE C 41.453 . 1 384 56 45 LYS N N 115.496 . 1 385 57 46 GLY HA2 H 3.667 . 2 386 57 46 GLY HA3 H 4.285 . 2 387 57 46 GLY CA C 45.335 . 1 388 57 46 GLY N N 105.555 . 1 389 58 47 LEU HG H 1.650 . 1 390 58 47 LEU HD1 H 0.647 . 2 391 58 47 LEU HD2 H 0.755 . 2 392 58 47 LEU CA C 57.479 . 1 393 58 47 LEU CB C 42.304 . 1 394 58 47 LEU CG C 31.401 . 1 395 58 47 LEU CD1 C 26.263 . 2 396 58 47 LEU CD2 C 24.297 . 2 397 58 47 LEU N N 122.950 . 1 398 59 48 THR HB H 4.733 . 1 399 59 48 THR HG2 H 1.274 . 1 400 59 48 THR CA C 60.292 . 1 401 59 48 THR CB C 70.884 . 1 402 59 48 THR N N 112.790 . 1 403 60 49 ASP HB2 H 2.520 . 1 404 60 49 ASP CA C 58.772 . 1 405 60 49 ASP CB C 40.224 . 1 406 60 49 ASP N N 120.317 . 1 407 61 50 GLU HB2 H 1.893 . 2 408 61 50 GLU HB3 H 2.059 . 2 409 61 50 GLU CA C 59.942 . 1 410 61 50 GLU CB C 29.644 . 1 411 61 50 GLU CG C 36.672 . 1 412 61 50 GLU N N 118.753 . 1 413 62 51 GLU HG2 H 2.176 . 2 414 62 51 GLU HG3 H 2.462 . 2 415 62 51 GLU CA C 59.256 . 1 416 62 51 GLU CB C 29.923 . 1 417 62 51 GLU CG C 37.744 . 1 418 62 51 GLU N N 119.943 . 1 419 63 52 ILE HG12 H 0.569 . 2 420 63 52 ILE HG13 H 1.933 . 2 421 63 52 ILE HD1 H 0.708 . 1 422 63 52 ILE CA C 66.400 . 1 423 63 52 ILE CB C 38.373 . 1 424 63 52 ILE CG1 C 30.922 . 1 425 63 52 ILE CG2 C 18.506 . 1 426 63 52 ILE CD1 C 14.407 . 1 427 63 52 ILE N N 119.973 . 1 428 64 53 ASP HB2 H 2.698 . 2 429 64 53 ASP HB3 H 2.847 . 2 430 64 53 ASP CA C 58.199 . 1 431 64 53 ASP CB C 39.901 . 1 432 64 53 ASP N N 120.819 . 1 433 65 54 MET CA C 59.418 . 1 434 65 54 MET CB C 32.828 . 1 435 65 54 MET N N 120.055 . 1 436 66 55 ALA HB H 1.318 . 1 437 66 55 ALA CA C 54.549 . 1 438 66 55 ALA CB C 17.990 . 1 439 66 55 ALA N N 122.648 . 1 440 67 56 PHE CA C 62.497 . 1 441 67 56 PHE CB C 38.231 . 1 442 67 56 PHE N N 119.756 . 1 443 68 57 GLN HG2 H 2.462 . 2 444 68 57 GLN HG3 H 2.554 . 2 445 68 57 GLN CA C 59.544 . 1 446 68 57 GLN CB C 28.391 . 1 447 68 57 GLN CG C 33.639 . 1 448 68 57 GLN N N 120.555 . 1 449 69 58 GLN HG2 H 2.401 . 2 450 69 58 GLN HG3 H 2.639 . 2 451 69 58 GLN CA C 58.284 . 1 452 69 58 GLN CB C 29.278 . 1 453 69 58 GLN CG C 34.595 . 1 454 69 58 GLN N N 117.927 . 1 455 70 59 SER HB2 H 3.906 . 2 456 70 59 SER HB3 H 4.152 . 2 457 70 59 SER CA C 59.549 . 1 458 70 59 SER CB C 64.818 . 1 459 70 59 SER N N 110.847 . 1 460 71 60 GLY HA2 H 4.106 . 2 461 71 60 GLY HA3 H 4.127 . 2 462 71 60 GLY CA C 46.562 . 1 463 71 60 GLY N N 110.584 . 1 464 72 61 THR H H 7.927 . 1 465 72 61 THR HA H 4.375 . 1 466 72 61 THR HB H 4.262 . 1 467 72 61 THR HG2 H 0.965 . 1 468 72 61 THR CA C 62.276 . 1 469 72 61 THR CB C 69.800 . 1 470 72 61 THR N N 111.244 . 1 471 73 62 ALA H H 8.308 . 1 472 73 62 ALA HA H 4.230 . 1 473 73 62 ALA HB H 1.359 . 1 474 73 62 ALA CA C 53.124 . 1 475 73 62 ALA CB C 19.242 . 1 476 73 62 ALA N N 126.006 . 1 477 74 63 ALA H H 8.095 . 1 478 74 63 ALA CA C 52.221 . 1 479 74 63 ALA CB C 19.253 . 1 480 74 63 ALA N N 121.326 . 1 481 75 64 ASP H H 8.039 . 1 482 75 64 ASP HA H 4.576 . 1 483 75 64 ASP HB2 H 2.622 . 2 484 75 64 ASP HB3 H 2.708 . 2 485 75 64 ASP CA C 54.403 . 1 486 75 64 ASP CB C 41.273 . 1 487 75 64 ASP N N 119.168 . 1 488 76 65 GLU H H 8.168 . 1 489 76 65 GLU HA H 4.639 . 1 490 76 65 GLU HB2 H 1.914 . 2 491 76 65 GLU HB3 H 2.061 . 2 492 76 65 GLU CA C 54.238 . 1 493 76 65 GLU CB C 30.063 . 1 494 76 65 GLU CG C 35.931 . 1 495 76 65 GLU N N 121.765 . 1 496 77 66 PRO HA H 4.424 . 1 497 77 66 PRO HB2 H 1.944 . 2 498 77 66 PRO HB3 H 2.313 . 2 499 77 66 PRO CA C 63.474 . 1 500 77 66 PRO CB C 32.103 . 1 501 77 66 PRO CG C 27.380 . 1 502 77 66 PRO CD C 50.722 . 1 503 78 67 SER H H 8.331 . 1 504 78 67 SER HA H 4.274 . 1 505 78 67 SER CA C 58.468 . 1 506 78 67 SER CB C 63.797 . 1 507 78 67 SER N N 115.526 . 1 508 79 68 SER H H 8.234 . 1 509 79 68 SER HA H 4.403 . 1 510 79 68 SER CA C 58.375 . 1 511 79 68 SER CB C 63.780 . 1 512 79 68 SER N N 117.616 . 1 513 80 69 LEU H H 8.031 . 1 514 80 69 LEU HA H 4.267 . 1 515 80 69 LEU HG H 1.487 . 1 516 80 69 LEU HD1 H 0.846 . 2 517 80 69 LEU HD2 H 0.781 . 2 518 80 69 LEU CA C 55.325 . 1 519 80 69 LEU CB C 42.355 . 1 520 80 69 LEU CG C 26.849 . 1 521 80 69 LEU CD1 C 25.003 . 2 522 80 69 LEU CD2 C 23.203 . 2 523 80 69 LEU N N 123.677 . 1 stop_ save_ save_assigned_chem_shift_list_1_2_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bxu/ebi/pex14_new_2.str.csh' loop_ _Experiment_label Experiment_1 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 'PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR' _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 57 1 ALA H H 7.651 . 1 2 58 2 SER H H 7.618 . 1 3 58 2 SER HA H 4.438 . 1 4 58 2 SER HB2 H 1.187 . 2 5 58 2 SER HB3 H 1.853 . 2 6 59 3 GLU H H 9.207 . 1 7 59 3 GLU HA H 4.340 . 1 8 60 4 ASP H H 8.911 . 1 9 60 4 ASP HA H 4.239 . 1 10 61 5 GLU H H 8.430 . 1 11 61 5 GLU HA H 4.111 . 1 12 62 6 LEU H H 7.833 . 1 13 62 6 LEU HA H 3.845 . 1 14 62 6 LEU HB2 H 1.661 . 2 15 62 6 LEU HB3 H 2.513 . 2 16 63 7 VAL H H 8.585 . 1 17 63 7 VAL HA H 3.322 . 1 18 63 7 VAL HB H 1.905 . 1 19 63 7 VAL HG2 H 0.875 . 1 20 64 8 ALA H H 8.550 . 1 21 64 8 ALA HA H 4.450 . 1 22 65 9 GLU H H 8.139 . 1 23 65 9 GLU HA H 4.153 . 1 24 66 10 PHE H H 8.599 . 1 25 66 10 PHE HA H 3.938 . 1 26 67 11 LEU H H 9.210 . 1 27 67 11 LEU HA H 3.976 . 1 28 67 11 LEU HB2 H 3.051 . 2 29 67 11 LEU HB3 H 3.333 . 2 30 68 12 GLN H H 8.348 . 1 31 68 12 GLN HA H 4.115 . 1 32 69 13 ASP H H 8.701 . 1 33 69 13 ASP HA H 4.120 . 1 34 70 14 GLN H H 8.106 . 1 35 70 14 GLN HA H 4.301 . 1 36 71 15 ASN H H 7.683 . 1 stop_ save_