data_15818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Type III antifreeze protein isoform HPLC-12 ; _BMRB_accession_number 15818 _BMRB_flat_file_name bmr15818.str _Entry_type original _Submission_date 2008-06-23 _Accession_date 2008-06-23 _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 Siemer Ansgar B. . 2 McDermott Ann E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 219 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15817 HPLC-12 stop_ _Original_release_date 2009-02-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-State NMR on a Type III Antifreeze Protein in the Presence of Ice' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19053456 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Siemer Ansgar B. . 2 McDermott Ann E. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 130 _Journal_issue 51 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17394 _Page_last 17399 _Year 2008 _Details . loop_ _Keyword 'antifreeze proteins' 'chemical-shift perturbation' 'frozen solution' 'solid-state NMR' 'type III AFP' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HPLC-12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $type_III_AFP_isoform_HPLC-12 stop_ _System_molecular_weight 8083.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'type III AFP isoform HPLC-12' save_ ######################## # Monomeric polymers # ######################## save_type_III_AFP_isoform_HPLC-12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common type_III_AFP_isoform_HPLC-12 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'antifreeze protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MNQASVVANQLIPINTALTL VMMRSEVVTPVGIPAEDIPR LVSMQVNRAVPLGTTLMPDM VKGYAALEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ASN 3 2 GLN 4 3 ALA 5 4 SER 6 5 VAL 7 6 VAL 8 7 ALA 9 8 ASN 10 9 GLN 11 10 LEU 12 11 ILE 13 12 PRO 14 13 ILE 15 14 ASN 16 15 THR 17 16 ALA 18 17 LEU 19 18 THR 20 19 LEU 21 20 VAL 22 21 MET 23 22 MET 24 23 ARG 25 24 SER 26 25 GLU 27 26 VAL 28 27 VAL 29 28 THR 30 29 PRO 31 30 VAL 32 31 GLY 33 32 ILE 34 33 PRO 35 34 ALA 36 35 GLU 37 36 ASP 38 37 ILE 39 38 PRO 40 39 ARG 41 40 LEU 42 41 VAL 43 42 SER 44 43 MET 45 44 GLN 46 45 VAL 47 46 ASN 48 47 ARG 49 48 ALA 50 49 VAL 51 50 PRO 52 51 LEU 53 52 GLY 54 53 THR 55 54 THR 56 55 LEU 57 56 MET 58 57 PRO 59 58 ASP 60 59 MET 61 60 VAL 62 61 LYS 63 62 GLY 64 63 TYR 65 64 ALA 66 65 ALA 67 66 LEU 68 67 GLU 69 68 HIS 70 69 HIS 71 70 HIS 72 71 HIS 73 72 HIS 74 73 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 15817 type_III_AFP_isoform_HPLC-12 100.00 74 100.00 100.00 3.88e-44 PDB 1AME "Crystal Structure Of Type Iii Antifreeze Protein At 4 C" 87.84 67 100.00 100.00 7.93e-37 PDB 1B7I "Type Iii Antifreeze Protein Isoform Hplc 12 K61r" 87.84 66 98.46 100.00 2.55e-36 PDB 1B7J "Type Iii Antifreeze Protein Isoform Hplc 12 V20a" 87.84 66 98.46 98.46 2.85e-36 PDB 1B7K "Type Iii Antifreeze Protein Isoform Hplc 12 R47h" 87.84 66 98.46 98.46 2.39e-35 PDB 1EKL "Type Iii Antifreeze Protein Isoform Hplc 12 E35k" 87.84 66 98.46 100.00 3.04e-36 PDB 1GZI "Crystal Structure Of Type Iii Antifreeze Protein From Ocean Pout, At 1.8 Angstrom Resolution" 87.84 65 100.00 100.00 8.31e-37 PDB 1HG7 "High Resolution Structure Of Hplc-12 Type Iii Antifreeze Protein From Ocean Pout Macrozoarces Americanus" 89.19 66 100.00 100.00 1.50e-37 PDB 1JAB "Type Iii Antifreeze Protein Isoform Hplc 12 T18s" 87.84 66 98.46 100.00 2.22e-36 PDB 1MSJ "Type Iii Antifreeze Protein Isoform Hplc 12 T15v" 87.84 66 98.46 98.46 5.29e-36 PDB 2AME "Type Iii Antifreeze Protein Isoform Hplc 12 N14q" 87.84 66 98.46 98.46 5.58e-36 PDB 2JIA "Type Iii Antifreeze Protein Isoform Hplc 12 K61i" 87.84 66 98.46 98.46 1.69e-35 PDB 2MSI "Type Iii Antifreeze Protein Isoform Hplc 12" 89.19 66 96.97 96.97 1.65e-35 PDB 2MSJ "Type Iii Antifreeze Protein Isoform Hplc 12 N46s" 87.84 66 98.46 100.00 3.69e-36 PDB 2SPG "Type Iii Antifreeze Protein Isoform Hplc 12 T15s" 87.84 66 98.46 100.00 2.22e-36 PDB 3AME "Type Iii Antifreeze Protein Isoform Hplc 12 Q9tq44t" 87.84 66 96.92 96.92 6.15e-35 PDB 3MSI "Type Iii Antifreeze Protein Isoform Hplc 12" 89.19 66 96.97 96.97 5.83e-35 PDB 3QF6 "Neutron Structure Of Type-Iii Antifreeze Protein Allows The Reconstruction Of Afp-Ice Interface" 83.78 66 98.39 100.00 7.39e-34 PDB 4AME "Type Iii Antifreeze Protein Isoform Hplc 12 T18a" 87.84 66 98.46 98.46 4.12e-36 PDB 4MSI "Type Iii Antifreeze Protein Isoform Hplc 12" 89.19 66 96.97 96.97 9.20e-36 PDB 5C7R "Revealing Surface Waters On An Antifreeze Protein By Fusion Protein Crystallography" 98.65 444 100.00 100.00 1.74e-41 PDB 5MSI "Type Iii Antifreeze Protein Isoform Hplc 12" 89.19 66 96.97 96.97 6.02e-36 PDB 6AME "Type Iii Antifreeze Protein Isoform Hplc 12 M21a" 87.84 66 98.46 98.46 6.64e-36 PDB 7AME "Type Iii Antifreeze Protein Isoform Hplc 12 T15a" 87.84 66 98.46 98.46 4.12e-36 PDB 7MSI "Type Iii Antifreeze Protein Isoform Hplc 12" 89.19 66 96.97 96.97 1.58e-35 PDB 8AME "Type Iii Antifreeze Protein Isoform Hplc 12 N14sa16h" 87.84 66 96.92 98.46 1.17e-34 PDB 8MSI "Type Iii Antifreeze Protein Isoform Hplc 12 N14sq44t" 87.84 66 96.92 98.46 3.17e-35 PDB 9AME "Type Iii Antifreeze Protein Isoform Hplc 12 S42g" 87.84 66 98.46 98.46 4.64e-36 PDB 9MSI "Type Iii Antifreeze Protein Isoform Hplc 12 T18n" 87.84 66 98.46 98.46 5.70e-36 GB ALL26675 "type 3 antifreeze protein QAE, partial [Zoarces americanus]" 85.14 74 100.00 100.00 3.31e-35 SP P19614 "RecName: Full=Type-3 ice-structuring protein HPLC 12; AltName: Full=Antifreeze protein QAE(HPLC 12); AltName: Full=ISP type III" 85.14 66 100.00 100.00 3.07e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $type_III_AFP_isoform_HPLC-12 'ocean pout' 8199 Eukaryota Metazoa Macrozoarces americanus 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 $type_III_AFP_isoform_HPLC-12 'recombinant technology' . Escherichia coli BL21(DE3)pLysS pET-20b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'frozen solution' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 100 % 'natural abundance' $type_III_AFP_isoform_HPLC-12 1.4 mg '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 'Wide bore' save_ ############################# # NMR applied experiments # ############################# save_2D_13C_-_13C_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C - 13C DARR' _Sample_label $sample_1 save_ save_2D_13C_-_13C_DARR _Saveframe_category NMR_applied_experiment _Experiment_name 2D_13C_-_13C_DARR _BMRB_pulse_sequence_accession_number . _Details '12kHz MAS, 20ms mixing time' save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pressure 1 . atm temperature 258 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'external 13C referencing using adamantane relative to DSS' 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 adamantane C 13 'methyl carbon' ppm 40.48 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1.0 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 13C - 13C DARR' 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 monomer _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 2 ASN CA C 53.000 0.3 1 2 1 2 ASN CB C 39.100 0.3 1 3 2 3 GLN CA C 55.900 0.3 1 4 2 3 GLN CB C 30.300 0.3 1 5 2 3 GLN CG C 34.000 0.3 1 6 3 4 ALA CA C 52.000 0.3 1 7 3 4 ALA CB C 20.000 0.3 1 8 4 5 SER CA C 57.600 0.3 1 9 4 5 SER CB C 66.600 0.3 1 10 5 6 VAL CA C 63.200 0.3 1 11 5 6 VAL CB C 32.000 0.3 1 12 5 6 VAL CG1 C 23.000 0.3 2 13 5 6 VAL CG2 C 23.200 0.3 2 14 6 7 VAL CA C 59.900 0.3 1 15 6 7 VAL CB C 35.900 0.3 1 16 6 7 VAL CG1 C 22.500 0.3 2 17 6 7 VAL CG2 C 20.700 0.3 2 18 7 8 ALA CA C 53.000 0.3 1 19 7 8 ALA CB C 19.400 0.3 1 20 8 9 ASN CA C 52.200 0.3 1 21 8 9 ASN CB C 40.800 0.3 1 22 9 10 GLN CA C 53.300 0.3 1 23 9 10 GLN CB C 32.900 0.3 1 24 9 10 GLN CG C 32.900 0.3 1 25 10 11 LEU CA C 56.400 0.3 1 26 10 11 LEU CB C 40.500 0.3 1 27 10 11 LEU CD1 C 22.100 0.3 2 28 10 11 LEU CD2 C 25.200 0.3 2 29 10 11 LEU CG C 28.100 0.3 1 30 11 12 ILE CA C 59.200 0.3 1 31 11 12 ILE CB C 39.200 0.3 1 32 11 12 ILE CD1 C 13.800 0.3 1 33 11 12 ILE CG1 C 26.000 0.3 1 34 11 12 ILE CG2 C 19.900 0.3 1 35 12 13 PRO CA C 61.900 0.3 1 36 12 13 PRO CB C 32.500 0.3 1 37 12 13 PRO CD C 51.000 0.3 1 38 12 13 PRO CG C 27.400 0.3 1 39 13 14 ILE CA C 63.800 0.3 1 40 13 14 ILE CB C 38.300 0.3 1 41 13 14 ILE CD1 C 14.300 0.3 1 42 13 14 ILE CG1 C 29.200 0.3 1 43 13 14 ILE CG2 C 15.300 0.3 1 44 14 15 ASN CA C 55.300 0.3 1 45 14 15 ASN CB C 36.900 0.3 1 46 15 16 THR CA C 65.300 0.3 1 47 15 16 THR CB C 68.700 0.3 1 48 15 16 THR CG2 C 22.500 0.3 1 49 16 17 ALA CA C 50.800 0.3 1 50 16 17 ALA CB C 19.700 0.3 1 51 17 18 LEU CA C 56.000 0.3 1 52 17 18 LEU CB C 42.800 0.3 1 53 17 18 LEU CD1 C 25.800 0.3 1 54 17 18 LEU CD2 C 25.800 0.3 1 55 17 18 LEU CG C 27.800 0.3 1 56 18 19 THR CA C 59.200 0.3 1 57 18 19 THR CB C 71.600 0.3 1 58 18 19 THR CG2 C 21.200 0.3 1 59 19 20 LEU CA C 59.400 0.3 1 60 19 20 LEU CB C 41.000 0.3 1 61 19 20 LEU CD1 C 25.100 0.3 2 62 19 20 LEU CD2 C 23.800 0.3 2 63 19 20 LEU CG C 26.800 0.3 1 64 20 21 VAL CA C 63.500 0.3 1 65 20 21 VAL CB C 31.400 0.3 1 66 20 21 VAL CG1 C 20.400 0.3 1 67 20 21 VAL CG2 C 20.400 0.3 1 68 21 22 MET CA C 58.000 0.3 1 69 21 22 MET CB C 33.300 0.3 1 70 22 23 MET CA C 55.300 0.3 1 71 22 23 MET CB C 38.500 0.3 1 72 22 23 MET CG C 31.700 0.3 1 73 23 24 ARG CA C 53.900 0.3 1 74 23 24 ARG CB C 33.300 0.3 1 75 23 24 ARG CD C 43.500 0.3 1 76 23 24 ARG CG C 27.200 0.3 1 77 24 25 SER CA C 56.000 0.3 1 78 24 25 SER CB C 64.500 0.3 1 79 25 26 GLU CA C 55.600 0.3 1 80 25 26 GLU CB C 35.000 0.3 1 81 25 26 GLU CG C 36.400 0.3 1 82 26 27 VAL CA C 64.200 0.3 1 83 26 27 VAL CB C 30.100 0.3 1 84 26 27 VAL CG1 C 21.300 0.3 2 85 26 27 VAL CG2 C 20.800 0.3 2 86 27 28 VAL CA C 59.200 0.3 1 87 27 28 VAL CB C 36.200 0.3 1 88 27 28 VAL CG1 C 22.300 0.3 2 89 27 28 VAL CG2 C 17.700 0.3 2 90 28 29 THR CA C 59.000 0.3 1 91 28 29 THR CB C 71.100 0.3 1 92 28 29 THR CG2 C 20.900 0.3 1 93 29 30 PRO CA C 62.400 0.3 1 94 29 30 PRO CB C 34.700 0.3 1 95 29 30 PRO CD C 50.300 0.3 1 96 29 30 PRO CG C 25.400 0.3 1 97 30 31 VAL CA C 62.500 0.3 1 98 30 31 VAL CB C 32.100 0.3 1 99 30 31 VAL CG1 C 21.400 0.3 2 100 30 31 VAL CG2 C 19.900 0.3 2 101 31 32 GLY CA C 45.100 0.3 1 102 32 33 ILE CA C 61.300 0.3 1 103 32 33 ILE CB C 39.700 0.3 1 104 32 33 ILE CD1 C 13.900 0.3 1 105 32 33 ILE CG1 C 28.700 0.3 1 106 32 33 ILE CG2 C 15.900 0.3 1 107 33 34 PRO CA C 63.100 0.3 1 108 33 34 PRO CB C 32.700 0.3 1 109 33 34 PRO CD C 51.100 0.3 1 110 33 34 PRO CG C 27.700 0.3 1 111 34 35 ALA CA C 54.800 0.3 1 112 34 35 ALA CB C 18.500 0.3 1 113 35 36 GLU CA C 59.200 0.3 1 114 35 36 GLU CB C 28.900 0.3 1 115 35 36 GLU CG C 36.800 0.3 1 116 36 37 ASP CA C 54.900 0.3 1 117 36 37 ASP CB C 40.700 0.3 1 118 37 38 ILE CA C 69.100 0.3 1 119 37 38 ILE CB C 36.200 0.3 1 120 37 38 ILE CD1 C 12.400 0.3 1 121 37 38 ILE CG1 C 33.300 0.3 1 122 37 38 ILE CG2 C 16.800 0.3 1 123 38 39 PRO CA C 65.900 0.3 1 124 38 39 PRO CB C 31.200 0.3 1 125 38 39 PRO CD C 49.000 0.3 1 126 38 39 PRO CG C 28.500 0.3 1 127 39 40 ARG CA C 57.300 0.3 1 128 39 40 ARG CB C 30.800 0.3 1 129 39 40 ARG CD C 44.100 0.3 1 130 39 40 ARG CG C 27.500 0.3 1 131 40 41 LEU CA C 55.500 0.3 1 132 40 41 LEU CB C 42.700 0.3 1 133 40 41 LEU CD1 C 24.400 0.3 2 134 40 41 LEU CD2 C 25.000 0.3 2 135 40 41 LEU CG C 26.800 0.3 1 136 41 42 VAL CA C 65.000 0.3 1 137 41 42 VAL CB C 31.600 0.3 1 138 41 42 VAL CG1 C 23.100 0.3 2 139 41 42 VAL CG2 C 21.400 0.3 2 140 42 43 SER CA C 58.200 0.3 1 141 42 43 SER CB C 63.800 0.3 1 142 43 44 MET CA C 57.000 0.3 1 143 43 44 MET CB C 32.800 0.3 1 144 43 44 MET CG C 31.100 0.3 1 145 44 45 GLN CA C 54.500 0.3 1 146 44 45 GLN CB C 32.300 0.3 1 147 44 45 GLN CG C 34.100 0.3 1 148 45 46 VAL CA C 59.600 0.3 1 149 45 46 VAL CB C 33.500 0.3 1 150 45 46 VAL CG1 C 22.400 0.3 2 151 45 46 VAL CG2 C 20.700 0.3 2 152 46 47 ASN CA C 51.600 0.3 1 153 46 47 ASN CB C 39.000 0.3 1 154 47 48 ARG CA C 53.700 0.3 1 155 47 48 ARG CB C 32.000 0.3 1 156 47 48 ARG CD C 44.000 0.3 1 157 47 48 ARG CG C 24.000 0.3 1 158 48 49 ALA CA C 52.200 0.3 1 159 48 49 ALA CB C 17.800 0.3 1 160 49 50 VAL CA C 59.600 0.3 1 161 49 50 VAL CB C 33.700 0.3 1 162 49 50 VAL CG1 C 22.400 0.3 2 163 49 50 VAL CG2 C 20.400 0.3 2 164 50 51 PRO CA C 62.400 0.3 1 165 50 51 PRO CB C 32.500 0.3 1 166 50 51 PRO CD C 51.200 0.3 1 167 50 51 PRO CG C 27.500 0.3 1 168 51 52 LEU CA C 57.800 0.3 1 169 51 52 LEU CB C 42.700 0.3 1 170 51 52 LEU CD1 C 25.200 0.3 2 171 51 52 LEU CD2 C 24.800 0.3 2 172 51 52 LEU CG C 27.200 0.3 1 173 52 53 GLY CA C 45.400 0.3 1 174 53 54 THR CA C 63.200 0.3 1 175 53 54 THR CB C 69.300 0.3 1 176 53 54 THR CG2 C 21.600 0.3 1 177 54 55 THR CA C 63.200 0.3 1 178 54 55 THR CB C 68.700 0.3 1 179 54 55 THR CG2 C 22.600 0.3 1 180 55 56 LEU CA C 55.600 0.3 1 181 55 56 LEU CB C 42.300 0.3 1 182 55 56 LEU CD1 C 26.200 0.3 2 183 55 56 LEU CD2 C 25.300 0.3 2 184 55 56 LEU CG C 28.500 0.3 1 185 56 57 MET CA C 51.200 0.3 1 186 56 57 MET CB C 32.000 0.3 1 187 57 58 PRO CA C 66.100 0.3 1 188 57 58 PRO CB C 32.800 0.3 1 189 57 58 PRO CD C 50.600 0.3 1 190 57 58 PRO CG C 27.800 0.3 1 191 58 59 ASP CA C 54.700 0.3 1 192 58 59 ASP CB C 39.900 0.3 1 193 59 60 MET CA C 57.100 0.3 1 194 59 60 MET CB C 33.900 0.3 1 195 59 60 MET CG C 30.300 0.3 1 196 60 61 VAL CA C 61.300 0.3 1 197 60 61 VAL CB C 33.400 0.3 1 198 60 61 VAL CG1 C 21.300 0.3 2 199 60 61 VAL CG2 C 22.100 0.3 2 200 61 62 LYS CA C 58.200 0.3 1 201 61 62 LYS CB C 31.600 0.3 1 202 61 62 LYS CD C 26.000 0.3 1 203 61 62 LYS CE C 42.700 0.3 1 204 61 62 LYS CG C 30.500 0.3 1 205 62 63 GLY CA C 45.600 0.3 1 206 63 64 TYR CA C 62.300 0.3 1 207 63 64 TYR CB C 39.100 0.3 1 208 64 65 ALA CA C 53.400 0.3 1 209 64 65 ALA CB C 18.900 0.3 1 210 65 66 ALA CA C 52.400 0.3 1 211 65 66 ALA CB C 19.000 0.3 1 212 66 67 LEU CA C 55.300 0.3 1 213 66 67 LEU CB C 41.900 0.3 1 214 66 67 LEU CD1 C 24.800 0.3 2 215 66 67 LEU CD2 C 23.200 0.3 2 216 66 67 LEU CG C 26.900 0.3 1 217 67 68 GLU CA C 56.700 0.3 1 218 67 68 GLU CB C 30.200 0.3 1 219 67 68 GLU CG C 36.200 0.3 1 stop_ save_