data_19828 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HUMAN CCR2 MEMBRANE-PROXIMAL C-TERMINAL REGION (PRO-C) IN A MEMBRANE BOUND FORM ; _BMRB_accession_number 19828 _BMRB_flat_file_name bmr19828.str _Entry_type original _Submission_date 2014-03-04 _Accession_date 2014-03-04 _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 Esaki Kaori . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 110 "13C chemical shifts" 71 "15N chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-06 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19829 'HUMAN CCR2 MEMBRANE-PROXIMAL C-TERMINAL REGION (PRO-C) IN A FROUNT BOUND FORM' stop_ _Original_release_date 2014-10-06 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insight Into the Interaction between the Membrane-Proximal C-Terminal Region of Chemokine Receptor Ccr2 and the Cytosolic Regulator Frount' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Esaki K. . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CHEMOKINE (C-C MOTIF) RECEPTOR 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CHEMOKINE (C-C MOTIF) RECEPTOR 2' $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 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_CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 _Molecular_mass 2133.564 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence EKFRRYLSVFFRKHIT loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 LYS 3 3 PHE 4 4 ARG 5 5 ARG 6 6 TYR 7 7 LEU 8 8 SER 9 9 VAL 10 10 PHE 11 11 PHE 12 12 ARG 13 13 LYS 14 14 HIS 15 15 ILE 16 16 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 19829 CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 100.00 16 100.00 100.00 7.79e-01 PDB 2MLO "Human Ccr2 Membrane-proximal C-terminal Region (pro-c) In A Membrane Bound Form" 100.00 16 100.00 100.00 7.79e-01 PDB 2MLQ "Human Ccr2 Membrane-proximal C-terminal Region (pro-c) In A Frount Bound Form" 100.00 16 100.00 100.00 7.79e-01 DBJ BAA06253 "monocyte chemoattractant protein 1 receptor [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 DBJ BAD08648 "chemokine (C-C motif) receptor 2 [Sus scrofa]" 93.75 373 100.00 100.00 4.34e+00 DBJ BAD08655 "chemokine (C-C motif) receptor 2 [Sus scrofa]" 93.75 373 100.00 100.00 4.34e+00 DBJ BAD12134 "chemokine C-C motif receptor 2 [Sus scrofa]" 93.75 373 100.00 100.00 4.34e+00 DBJ BAF85374 "unnamed protein product [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 EMBL CAA64835 "MCP-1 receptor [Homo sapiens]" 100.00 140 100.00 100.00 5.43e-01 GB AAA19120 "MCP-1 receptor [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 GB AAB57792 "ccr2b [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 GB AAC51636 "monocyte chemoattractant protein 1 receptor [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 GB AAH95540 "Chemokine (C-C motif) receptor 2 [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 GB ACN78985 "C-C chemokine receptor 2 transcript variant 2, partial [Pan troglodytes troglodytes]" 100.00 365 100.00 100.00 1.52e+00 REF NP_001001619 "C-C chemokine receptor type 2 [Sus scrofa]" 93.75 373 100.00 100.00 4.34e+00 REF NP_001116868 "C-C chemokine receptor type 2 isoform B [Homo sapiens]" 100.00 360 100.00 100.00 1.37e+00 REF XP_002832824 "PREDICTED: C-C chemokine receptor type 2 isoform X1 [Pongo abelii]" 100.00 360 100.00 100.00 1.39e+00 REF XP_003483213 "PREDICTED: C-C chemokine receptor type 2-like [Sus scrofa]" 93.75 373 100.00 100.00 4.34e+00 REF XP_003926313 "PREDICTED: C-C chemokine receptor type 2 [Saimiri boliviensis boliviensis]" 93.75 359 100.00 100.00 5.42e+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 _Gene_mnemonic $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 HUMAN 9606 Eukaryota Metazoa HOMO SAPIENS CCR2 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 $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 'recombinant technology' . ESCHERICHIA COLI . VECTOR PTKK19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CCR2_Pro-C_13C15N1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 200 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DPC 10 mM '[U-99% 2H]' D2O 100 % '[U-100% 2H]' stop_ save_ save_CCR2_Pro-C_13C15N2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 200 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DPC 10 mM '[U-99% 2H]' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' stop_ save_ save_CCR2_Pro-C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CHEMOKINE_(C-C_MOTIF)_RECEPTOR_2 200 uM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DPC 10 mM '[U-99% 2H]' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'GUNTERT, MUMENTHALER' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CCR2_Pro-C_15N save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $CCR2_Pro-C_15N save_ save_3D_1H-_13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H- 13C NOESY' _Sample_label $CCR2_Pro-C_13C15N1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CCR2_Pro-C_13C15N2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CCR2_Pro-C_13C15N2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $CCR2_Pro-C_13C15N2 save_ save_3D_HCCH-_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH- TOCSY' _Sample_label $CCR2_Pro-C_13C15N1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CCR2_Pro-C_15N save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $CCR2_Pro-C_13C15N1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 293 . 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 0.00 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10132912 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 '3D 1H-15N NOESY' '3D HNHA' '3D 1H- 13C NOESY' stop_ loop_ _Sample_label $CCR2_Pro-C_15N $CCR2_Pro-C_13C15N1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CHEMOKINE (C-C MOTIF) RECEPTOR 2' _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 1 1 GLU HA H 3.9816 0 1 2 1 1 GLU HB2 H 2.1136 0 2 3 1 1 GLU HB3 H 2.1006 0 2 4 1 1 GLU HG2 H 2.3466 0 2 5 1 1 GLU HG3 H 2.3466 0 2 6 1 1 GLU CA C 55.799 0 1 7 1 1 GLU CB C 30.392 0.001 1 8 1 1 GLU CG C 35.603 0 1 9 2 2 LYS HA H 4.2076 0 1 10 2 2 LYS HB2 H 1.7706 0 2 11 2 2 LYS HB3 H 1.7706 0 2 12 2 2 LYS HG2 H 1.3426 0 2 13 2 2 LYS HG3 H 1.2936 0 2 14 2 2 LYS HD2 H 1.6636 0 2 15 2 2 LYS HD3 H 1.6636 0 2 16 2 2 LYS HE2 H 2.9306 0 2 17 2 2 LYS HE3 H 2.9306 0 2 18 2 2 LYS CA C 57.604 0 1 19 2 2 LYS CB C 32.8 0 1 20 2 2 LYS CG C 24.593 0.001 1 21 2 2 LYS CD C 28.817 0 1 22 2 2 LYS CE C 41.439 0 1 23 3 3 PHE H H 8.9796 0 1 24 3 3 PHE HA H 4.4156 0 1 25 3 3 PHE HB2 H 3.3506 0 2 26 3 3 PHE HB3 H 3.1566 0 2 27 3 3 PHE HD1 H 7.2916 0 3 28 3 3 PHE HD2 H 7.2916 0 3 29 3 3 PHE HE1 H 7.2736 0 1 30 3 3 PHE HZ H 7.1126 0 1 31 3 3 PHE CA C 60.64 0 1 32 3 3 PHE CB C 38.442 0.001 1 33 3 3 PHE CD1 C 131.322 0 3 34 3 3 PHE CD2 C 131.322 0 3 35 3 3 PHE CE1 C 130.625 0 1 36 3 3 PHE CZ C 132.584 0 1 37 3 3 PHE N N 120.909 0 1 38 4 4 ARG H H 8.9856 0 1 39 4 4 ARG HA H 3.8636 0 1 40 4 4 ARG HB2 H 1.9026 0 2 41 4 4 ARG HB3 H 1.9026 0 2 42 4 4 ARG HG2 H 1.6986 0 2 43 4 4 ARG HG3 H 1.6256 0 2 44 4 4 ARG HD2 H 3.2236 0 2 45 4 4 ARG HD3 H 3.2236 0 2 46 4 4 ARG CA C 59.263 0 1 47 4 4 ARG CB C 29.457 0 1 48 4 4 ARG CG C 27.795 0.001 1 49 4 4 ARG CD C 42.983 0 1 50 4 4 ARG N N 119.516 0 1 51 5 5 ARG H H 7.9966 0 1 52 5 5 ARG HA H 4.1246 0 1 53 5 5 ARG HB2 H 1.8436 0 2 54 5 5 ARG HB3 H 1.8436 0 2 55 5 5 ARG HG2 H 1.5316 0 1 56 5 5 ARG HG3 H 1.5156 0 1 57 5 5 ARG HD2 H 3.1626 0 2 58 5 5 ARG HD3 H 3.1626 0 2 59 5 5 ARG CA C 58.426 0 1 60 5 5 ARG CB C 29.266 0 1 61 5 5 ARG CG C 26.885 0.002 1 62 5 5 ARG CD C 42.814 0 1 63 5 5 ARG N N 119.466 0 1 64 6 6 TYR H H 7.9946 0 1 65 6 6 TYR HB2 H 3.1206 0 2 66 6 6 TYR HB3 H 3.0896 0 2 67 6 6 TYR HD1 H 7.0636 0 3 68 6 6 TYR HD2 H 7.0636 0 3 69 6 6 TYR HE1 H 6.7866 0 3 70 6 6 TYR HE2 H 6.7866 0 3 71 6 6 TYR CB C 37.706 0.001 1 72 6 6 TYR CD1 C 132.19 0 3 73 6 6 TYR CD2 C 132.19 0 3 74 6 6 TYR CE1 C 117.778 0 3 75 6 6 TYR CE2 C 117.778 0 3 76 6 6 TYR N N 118.856 0 1 77 7 7 LEU H H 8.1056 0 1 78 7 7 LEU HA H 4.1356 0 1 79 7 7 LEU HB2 H 1.8756 0 2 80 7 7 LEU HB3 H 1.5976 0 2 81 7 7 LEU HG H 1.8096 0 1 82 7 7 LEU HD1 H 0.9076 0 2 83 7 7 LEU HD2 H 0.9076 0 2 84 7 7 LEU CA C 57.261 0 1 85 7 7 LEU CB C 41.612 0.001 1 86 7 7 LEU CG C 26.777 0 1 87 7 7 LEU CD1 C 25.312 0 2 88 7 7 LEU CD2 C 25.312 0 2 89 7 7 LEU N N 117.83 0 1 90 8 8 SER H H 8.0896 0 1 91 8 8 SER HA H 4.1906 0 1 92 8 8 SER HB2 H 4.0566 0 2 93 8 8 SER HB3 H 4.0566 0 2 94 8 8 SER CA C 61.537 0 1 95 8 8 SER CB C 62.607 0 1 96 8 8 SER N N 113.703 0 1 97 9 9 VAL H H 7.7556 0 1 98 9 9 VAL HA H 3.7186 0 1 99 9 9 VAL HB H 2.1196 0 1 100 9 9 VAL HG1 H 1.0156 0 2 101 9 9 VAL HG2 H 0.8676 0 2 102 9 9 VAL CA C 65.38 0 1 103 9 9 VAL CB C 31.412 0 1 104 9 9 VAL CG1 C 21.861 0 1 105 9 9 VAL CG2 C 20.77 0 1 106 9 9 VAL N N 120.306 0 1 107 10 10 PHE H H 7.9026 0 1 108 10 10 PHE HA H 4.2136 0 1 109 10 10 PHE HB2 H 3.0036 0 2 110 10 10 PHE HB3 H 3.0036 0 2 111 10 10 PHE HD1 H 7.0076 0 3 112 10 10 PHE HD2 H 7.0076 0 3 113 10 10 PHE HE1 H 7.0976 0 3 114 10 10 PHE HE2 H 7.0976 0 3 115 10 10 PHE HZ H 7.0036 0 1 116 10 10 PHE CA C 60.757 0 1 117 10 10 PHE CB C 39.205 0 1 118 10 10 PHE CD1 C 131.457 0 3 119 10 10 PHE CD2 C 131.457 0 3 120 10 10 PHE CE1 C 130.606 0 3 121 10 10 PHE CE2 C 130.606 0 3 122 10 10 PHE CZ C 128.778 0 1 123 10 10 PHE N N 119.347 0 1 124 11 11 PHE H H 8.3526 0 1 125 11 11 PHE HA H 4.3506 0 1 126 11 11 PHE HB2 H 3.3016 0 1 127 11 11 PHE HB3 H 3.1326 0 1 128 11 11 PHE HD1 H 7.3606 0 3 129 11 11 PHE HD2 H 7.3606 0 3 130 11 11 PHE HE1 H 7.1776 0 3 131 11 11 PHE HE2 H 7.1776 0 3 132 11 11 PHE HZ H 7.2346 0 1 133 11 11 PHE CA C 59.844 0 1 134 11 11 PHE CB C 38.992 0.006 1 135 11 11 PHE CD1 C 131.543 0 3 136 11 11 PHE CD2 C 131.543 0 3 137 11 11 PHE CE1 C 128.844 0 3 138 11 11 PHE CE2 C 128.844 0 3 139 11 11 PHE CZ C 129.15 0 1 140 11 11 PHE N N 116.549 0 1 141 12 12 ARG H H 8.0536 0 1 142 12 12 ARG HA H 4.1246 0 1 143 12 12 ARG HB2 H 1.9556 0 2 144 12 12 ARG HB3 H 1.9376 0 2 145 12 12 ARG HG2 H 1.7956 0 2 146 12 12 ARG HG3 H 1.7096 0 2 147 12 12 ARG CA C 57.755 0 1 148 12 12 ARG CB C 29.799 0.001 1 149 12 12 ARG CG C 27.361 0.001 1 150 12 12 ARG N N 118.598 0 1 151 13 13 LYS H H 7.9846 0 1 152 13 13 LYS HA H 4.1066 0 1 153 13 13 LYS HB2 H 1.6556 0 2 154 13 13 LYS HB3 H 1.5246 0 2 155 13 13 LYS HG2 H 1.2516 0 2 156 13 13 LYS HG3 H 1.1496 0 2 157 13 13 LYS HE2 H 2.8696 0 2 158 13 13 LYS HE3 H 2.8696 0 2 159 13 13 LYS CA C 56.948 0 1 160 13 13 LYS CB C 32.384 0.001 1 161 13 13 LYS CG C 24.425 0.001 1 162 13 13 LYS CE C 41.383 0 1 163 13 13 LYS N N 118.191 0 1 164 14 14 HIS H H 7.8236 0 1 165 14 14 HIS HA H 4.6296 0 1 166 14 14 HIS HB2 H 3.1426 0 2 167 14 14 HIS HB3 H 2.6986 0 2 168 14 14 HIS HD2 H 6.6946 0 1 169 14 14 HIS HE1 H 7.9986 0 1 170 14 14 HIS CA C 56.438 0 1 171 14 14 HIS CB C 30.785 0.002 1 172 14 14 HIS CD2 C 119.896 0 1 173 14 14 HIS CE1 C 137.285 0 1 174 14 14 HIS N N 116.316 0 1 175 15 15 ILE H H 7.8566 0 1 176 15 15 ILE HA H 4.3136 0 1 177 15 15 ILE HB H 1.8946 0 1 178 15 15 ILE HG12 H 1.3966 0 2 179 15 15 ILE HG13 H 1.1876 0 2 180 15 15 ILE HG2 H 0.8636 0 1 181 15 15 ILE HD1 H 0.7966 0 1 182 15 15 ILE CA C 60.556 0 1 183 15 15 ILE CB C 37.867 0 1 184 15 15 ILE CG1 C 26.852 0.001 1 185 15 15 ILE CG2 C 17.528 0 1 186 15 15 ILE CD1 C 12.614 0 1 187 15 15 ILE N N 119.074 0 1 188 16 16 THR H H 7.5236 0 1 189 16 16 THR HA H 4.1076 0 1 190 16 16 THR HB H 4.1796 0 1 191 16 16 THR HG2 H 1.1206 0 1 192 16 16 THR CA C 62.815 0 1 193 16 16 THR CB C 70.229 0 1 194 16 16 THR CG2 C 21.728 0 1 195 16 16 THR N N 121.191 0 1 stop_ save_