data_7297 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of conserved hypothetical protein RPA1320 from Rhodopseudomonas Palustris; Northeast Structural Genomics Consortium Target RPT3 / Ontario Center for Structural Proteomics Target RP1313 ; _BMRB_accession_number 7297 _BMRB_flat_file_name bmr7297.str _Entry_type original _Submission_date 2006-09-14 _Accession_date 2006-09-15 _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 Lemak Alexander . . 2 Yee Adelinda . . 3 Lukin Jonathan . . 4 Karra Murthy . . 5 Gutmanas Aleksandras . . 6 Guido Valeria . . 7 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 556 "13C chemical shifts" 417 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-23 original author . stop_ _Original_release_date 2006-10-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of RPA1320' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lemak Alexander . . 2 Yee Adelinda . . 3 Lukin Jonathan . . 4 Karra Murthy . . 5 Gutmanas Aleksandras . . 6 Guido Valeria . . 7 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation . _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 . loop_ _Keyword 'conserved hypotetical protein RPA1320' stop_ save_ ################################## # Molecular system description # ################################## save_system_rpa1320 _Saveframe_category molecular_system _Mol_system_name 'conserved hypotetical protein RPA1320' _Abbreviation_common rpa1320 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rpa1320 $rpa1320 'ZINC ion, 1' $ZN 'ZINC ion, 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'free and other bound' loop_ _Biological_function 'conserved hypotetical Zn-binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rpa1320 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'conserved hypotetical protein rpa1320' _Abbreviation_common rpa1320 _Molecular_mass 11412 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MTMGCRHVAGIRTVTPSALG CEECLKIGSPWVHLRICRTC GHVGCCDDSPHKHATRHFHA TGHPIIEGYDPPEGWGWCYV DEVMFDLSDRMTPHNGPIPR YV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 MET 4 GLY 5 CYS 6 ARG 7 HIS 8 VAL 9 ALA 10 GLY 11 ILE 12 ARG 13 THR 14 VAL 15 THR 16 PRO 17 SER 18 ALA 19 LEU 20 GLY 21 CYS 22 GLU 23 GLU 24 CYS 25 LEU 26 LYS 27 ILE 28 GLY 29 SER 30 PRO 31 TRP 32 VAL 33 HIS 34 LEU 35 ARG 36 ILE 37 CYS 38 ARG 39 THR 40 CYS 41 GLY 42 HIS 43 VAL 44 GLY 45 CYS 46 CYS 47 ASP 48 ASP 49 SER 50 PRO 51 HIS 52 LYS 53 HIS 54 ALA 55 THR 56 ARG 57 HIS 58 PHE 59 HIS 60 ALA 61 THR 62 GLY 63 HIS 64 PRO 65 ILE 66 ILE 67 GLU 68 GLY 69 TYR 70 ASP 71 PRO 72 PRO 73 GLU 74 GLY 75 TRP 76 GLY 77 TRP 78 CYS 79 TYR 80 VAL 81 ASP 82 GLU 83 VAL 84 MET 85 PHE 86 ASP 87 LEU 88 SER 89 ASP 90 ARG 91 MET 92 THR 93 PRO 94 HIS 95 ASN 96 GLY 97 PRO 98 ILE 99 PRO 100 ARG 101 TYR 102 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:29:31 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rpa1320 'Rhodopseudomonas palustris' 258594 Bacteria . rhodopseudomonas palustris 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 $rpa1320 'recombinant technology' 'E. coli' Escherichia coli 'BL21 DE3(gold)' plasmid P11 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 $rpa1320 0.6 mM '[U-13C; U-15N]' NaCl 250 mM . TRIS 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task 'spectral analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_4D_HBHACBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HBHACBCAcoNH' _Sample_label $sample_1 save_ save_4D_HCCcoNH_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCcoNH TOCSY' _Sample_label $sample_1 save_ save_13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label $sample_1 save_ save_HC(C)H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC(C)H TOCSY' _Sample_label $sample_1 save_ save_HCC(H)_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCC(H) TOCSY' _Sample_label $sample_1 save_ save_15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label $sample_1 save_ save_13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HBHACBCAcoNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCcoNH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC(C)H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCC(H) TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.3 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rpa1320 _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 MET CA C 55.768 0.400 1 2 . 1 MET HA H 4.558 0.020 1 3 . 1 MET CB C 33.460 0.400 1 4 . 1 MET HB2 H 2.088 0.400 1 5 . 1 MET HB3 H 2.088 0.400 1 6 . 1 MET CG C 31.988 0.400 1 7 . 1 MET HG2 H 2.558 0.020 2 8 . 1 MET HG3 H 2.645 0.020 2 9 . 1 MET C C 176.466 0.400 1 10 . 2 THR N N 116.799 0.400 1 11 . 2 THR H H 8.529 0.020 1 12 . 2 THR CA C 61.350 0.400 1 13 . 2 THR HA H 4.576 0.020 1 14 . 2 THR CB C 70.620 0.400 1 15 . 2 THR HB H 4.309 0.020 1 16 . 2 THR HG2 H 1.294 0.400 1 17 . 2 THR CG2 C 21.430 0.400 1 18 . 2 THR C C 174.292 0.400 1 19 . 3 MET N N 120.907 0.400 1 20 . 3 MET H H 8.483 0.020 1 21 . 3 MET CA C 55.476 0.400 1 22 . 3 MET HA H 4.559 0.020 1 23 . 3 MET CB C 32.450 0.400 1 24 . 3 MET HB2 H 2.057 0.020 2 25 . 3 MET HB3 H 2.156 0.020 2 26 . 3 MET CG C 31.988 0.400 1 27 . 3 MET HG2 H 2.578 0.020 2 28 . 3 MET HG3 H 2.665 0.020 2 29 . 3 MET C C 176.274 0.400 1 30 . 4 GLY N N 107.801 0.400 1 31 . 4 GLY H H 8.278 0.020 1 32 . 4 GLY CA C 44.958 0.400 1 33 . 4 GLY HA2 H 3.384 0.020 2 34 . 4 GLY HA3 H 3.738 0.020 2 35 . 4 GLY C C 171.831 0.400 1 36 . 5 CYS N N 117.025 0.400 1 37 . 5 CYS H H 6.812 0.020 1 38 . 5 CYS CA C 57.488 0.400 1 39 . 5 CYS HA H 4.748 0.020 1 40 . 5 CYS CB C 31.116 0.400 1 41 . 5 CYS HB2 H 2.672 0.020 2 42 . 5 CYS HB3 H 3.108 0.020 2 43 . 6 ARG CA C 57.162 0.400 1 44 . 6 ARG HA H 4.142 0.020 1 45 . 6 ARG CB C 29.182 0.400 1 46 . 6 ARG HB2 H 1.637 0.400 1 47 . 6 ARG HB3 H 1.637 0.400 1 48 . 6 ARG CG C 25.360 0.400 1 49 . 6 ARG HG2 H 0.697 0.020 2 50 . 6 ARG HG3 H 1.292 0.020 2 51 . 6 ARG CD C 43.050 0.400 1 52 . 6 ARG HD2 H 3.014 0.400 1 53 . 6 ARG HD3 H 3.014 0.400 1 54 . 6 ARG C C 176.821 0.400 1 55 . 7 HIS N N 120.334 0.400 1 56 . 7 HIS H H 9.343 0.020 1 57 . 7 HIS CA C 58.770 0.400 1 58 . 7 HIS HA H 4.504 0.020 1 59 . 7 HIS CB C 30.090 0.400 1 60 . 7 HIS HB2 H 2.889 0.020 2 61 . 7 HIS HB3 H 3.428 0.020 2 62 . 7 HIS CD2 C 118.700 0.400 1 63 . 7 HIS CE1 C 138.166 0.400 1 64 . 7 HIS HD2 H 7.365 0.020 1 65 . 7 HIS HE1 H 7.715 0.020 1 66 . 7 HIS C C 176.971 0.400 1 67 . 8 VAL N N 122.466 0.400 1 68 . 8 VAL H H 7.469 0.020 1 69 . 8 VAL CA C 65.650 0.400 1 70 . 8 VAL HA H 3.383 0.020 1 71 . 8 VAL CB C 31.191 0.400 1 72 . 8 VAL HB H 1.998 0.020 1 73 . 8 VAL HG1 H 0.538 0.400 2 74 . 8 VAL HG2 H 0.686 0.400 2 75 . 8 VAL CG1 C 21.654 0.400 1 76 . 8 VAL CG2 C 20.850 0.400 1 77 . 8 VAL C C 177.477 0.400 1 78 . 9 ALA N N 121.926 0.400 1 79 . 9 ALA H H 7.716 0.020 1 80 . 9 ALA CA C 54.170 0.400 1 81 . 9 ALA HA H 4.145 0.020 1 82 . 9 ALA HB H 1.384 0.400 1 83 . 9 ALA CB C 18.329 0.400 1 84 . 9 ALA C C 178.175 0.400 1 85 . 10 GLY N N 103.812 0.400 1 86 . 10 GLY H H 7.652 0.020 1 87 . 10 GLY CA C 44.850 0.400 1 88 . 10 GLY HA2 H 4.302 0.020 2 89 . 10 GLY HA3 H 3.740 0.020 2 90 . 10 GLY C C 174.852 0.400 1 91 . 11 ILE N N 120.694 0.400 1 92 . 11 ILE H H 7.248 0.020 1 93 . 11 ILE CA C 63.968 0.400 1 94 . 11 ILE HA H 3.843 0.020 1 95 . 11 ILE CB C 38.374 0.400 1 96 . 11 ILE HB H 1.884 0.020 1 97 . 11 ILE HG2 H 0.948 0.400 1 98 . 11 ILE CG2 C 17.270 0.400 1 99 . 11 ILE CG1 C 28.768 0.400 1 100 . 11 ILE HG12 H 1.091 0.020 2 101 . 11 ILE HG13 H 1.850 0.020 2 102 . 11 ILE HD1 H 1.083 0.400 1 103 . 11 ILE CD1 C 15.650 0.400 1 104 . 11 ILE C C 175.399 0.400 1 105 . 12 ARG N N 126.383 0.400 1 106 . 12 ARG H H 8.443 0.020 1 107 . 12 ARG CA C 53.950 0.400 1 108 . 12 ARG HA H 4.808 0.020 1 109 . 12 ARG CB C 32.230 0.400 1 110 . 12 ARG HB2 H 1.643 0.020 2 111 . 12 ARG HB3 H 1.821 0.020 2 112 . 12 ARG CG C 27.190 0.400 1 113 . 12 ARG HG2 H 1.875 0.400 1 114 . 12 ARG HG3 H 1.875 0.400 1 115 . 12 ARG CD C 43.200 0.400 1 116 . 12 ARG HD2 H 3.361 0.400 1 117 . 12 ARG HD3 H 3.361 0.400 1 118 . 12 ARG C C 177.026 0.400 1 119 . 13 THR N N 121.714 0.400 1 120 . 13 THR H H 8.750 0.020 1 121 . 13 THR CA C 63.140 0.400 1 122 . 13 THR HA H 4.344 0.020 1 123 . 13 THR CB C 68.260 0.400 1 124 . 13 THR HB H 4.035 0.020 1 125 . 13 THR HG2 H 1.189 0.400 1 126 . 13 THR CG2 C 21.685 0.400 1 127 . 13 THR C C 174.401 0.400 1 128 . 14 VAL N N 120.979 0.400 1 129 . 14 VAL H H 8.855 0.020 1 130 . 14 VAL CA C 58.664 0.400 1 131 . 14 VAL HA H 4.621 0.020 1 132 . 14 VAL CB C 35.090 0.400 1 133 . 14 VAL HB H 1.717 0.020 1 134 . 14 VAL HG1 H 0.574 0.400 2 135 . 14 VAL HG2 H 0.701 0.400 2 136 . 14 VAL CG1 C 21.640 0.400 1 137 . 14 VAL CG2 C 17.556 0.400 1 138 . 14 VAL C C 174.059 0.400 1 139 . 15 THR N N 118.090 0.400 1 140 . 15 THR H H 8.505 0.020 1 141 . 15 THR CA C 58.973 0.400 1 142 . 15 THR HA H 4.645 0.020 1 143 . 15 THR CB C 70.362 0.400 1 144 . 15 THR HB H 3.853 0.020 1 145 . 15 THR HG2 H 1.144 0.400 1 146 . 15 THR CG2 C 20.645 0.400 1 147 . 16 PRO CD C 51.635 0.400 1 148 . 16 PRO CA C 62.750 0.400 1 149 . 16 PRO HA H 4.426 0.020 1 150 . 16 PRO CB C 33.210 0.400 1 151 . 16 PRO HB2 H 1.815 0.020 2 152 . 16 PRO HB3 H 1.934 0.020 2 153 . 16 PRO CG C 28.431 0.400 1 154 . 16 PRO HG2 H 1.589 0.020 2 155 . 16 PRO HG3 H 2.241 0.020 2 156 . 16 PRO HD2 H 3.845 0.020 2 157 . 16 PRO HD3 H 3.480 0.020 2 158 . 16 PRO C C 179.501 0.400 1 159 . 17 SER N N 120.576 0.400 1 160 . 17 SER H H 8.402 0.020 1 161 . 17 SER CA C 60.309 0.400 1 162 . 17 SER HA H 3.995 0.020 1 163 . 17 SER CB C 64.015 0.400 1 164 . 17 SER HB2 H 4.095 0.020 2 165 . 17 SER HB3 H 3.755 0.020 2 166 . 17 SER C C 173.403 0.400 1 167 . 18 ALA N N 120.836 0.400 1 168 . 18 ALA H H 7.205 0.020 1 169 . 18 ALA CA C 51.380 0.400 1 170 . 18 ALA HA H 4.385 0.020 1 171 . 18 ALA HB H 1.157 0.400 1 172 . 18 ALA CB C 21.820 0.400 1 173 . 18 ALA C C 176.671 0.400 1 174 . 19 LEU N N 124.909 0.400 1 175 . 19 LEU H H 8.703 0.020 1 176 . 19 LEU CA C 52.914 0.400 1 177 . 19 LEU HA H 4.565 0.020 1 178 . 19 LEU CB C 38.234 0.400 1 179 . 19 LEU HB2 H 1.575 0.020 2 180 . 19 LEU HB3 H 1.801 0.020 2 181 . 19 LEU CG C 26.210 0.400 1 182 . 19 LEU HG H 1.478 0.020 1 183 . 19 LEU HD1 H 0.886 0.400 2 184 . 19 LEU HD2 H 0.531 0.400 2 185 . 19 LEU CD1 C 25.517 0.400 1 186 . 19 LEU CD2 C 23.138 0.400 1 187 . 19 LEU C C 176.110 0.400 1 188 . 20 GLY N N 103.792 0.400 1 189 . 20 GLY H H 7.222 0.020 1 190 . 20 GLY CA C 44.833 0.400 1 191 . 20 GLY HA2 H 3.217 0.020 2 192 . 20 GLY HA3 H 4.215 0.020 2 193 . 21 CYS N N 115.989 0.400 1 194 . 21 CYS H H 3.723 0.020 1 195 . 21 CYS CA C 58.190 0.400 1 196 . 21 CYS HA H 3.476 0.020 1 197 . 21 CYS CB C 26.887 0.400 1 198 . 21 CYS HB2 H 1.870 0.020 2 199 . 21 CYS HB3 H 2.238 0.020 2 200 . 21 CYS C C 175.098 0.400 1 201 . 22 GLU N N 131.450 0.400 1 202 . 22 GLU H H 7.900 0.020 1 203 . 22 GLU CA C 60.061 0.400 1 204 . 22 GLU HA H 3.275 0.020 1 205 . 22 GLU CB C 29.965 0.400 1 206 . 22 GLU HB2 H 1.695 0.400 1 207 . 22 GLU HB3 H 1.695 0.400 1 208 . 22 GLU CG C 35.240 0.400 1 209 . 22 GLU HG2 H 1.923 0.020 2 210 . 22 GLU HG3 H 2.109 0.020 2 211 . 23 GLU CA C 59.990 0.400 1 212 . 23 GLU HA H 3.888 0.020 1 213 . 23 GLU CB C 27.285 0.400 1 214 . 23 GLU HB2 H 0.219 0.020 2 215 . 23 GLU HB3 H 1.079 0.020 2 216 . 23 GLU CG C 37.350 0.400 1 217 . 23 GLU HG2 H 2.099 0.400 1 218 . 23 GLU HG3 H 2.099 0.400 1 219 . 24 CYS N N 124.805 0.400 1 220 . 24 CYS H H 8.648 0.020 1 221 . 24 CYS CA C 67.980 0.400 1 222 . 24 CYS HA H 4.116 0.020 1 223 . 24 CYS CB C 30.546 0.400 1 224 . 24 CYS HB2 H 2.945 0.020 2 225 . 24 CYS HB3 H 3.985 0.020 2 226 . 24 CYS C C 179.897 0.400 1 227 . 25 LEU N N 118.893 0.400 1 228 . 25 LEU H H 8.490 0.020 1 229 . 25 LEU CA C 57.694 0.400 1 230 . 25 LEU HA H 4.277 0.020 1 231 . 25 LEU CB C 42.495 0.400 1 232 . 25 LEU HB2 H 1.408 0.020 2 233 . 25 LEU HB3 H 1.817 0.020 2 234 . 25 LEU CG C 27.150 0.400 1 235 . 25 LEU HG H 1.894 0.020 1 236 . 25 LEU HD1 H 1.186 0.400 2 237 . 25 LEU HD2 H 0.554 0.400 2 238 . 25 LEU CD1 C 22.770 0.400 1 239 . 25 LEU CD2 C 25.870 0.400 1 240 . 25 LEU C C 180.157 0.400 1 241 . 26 LYS N N 116.492 0.400 1 242 . 26 LYS H H 6.975 0.020 1 243 . 26 LYS CA C 58.961 0.400 1 244 . 26 LYS HA H 4.126 0.020 1 245 . 26 LYS CB C 33.072 0.400 1 246 . 26 LYS HB2 H 1.954 0.400 1 247 . 26 LYS HB3 H 1.954 0.400 1 248 . 26 LYS CG C 25.430 0.400 1 249 . 26 LYS HG2 H 1.722 0.020 2 250 . 26 LYS HG3 H 1.441 0.020 2 251 . 26 LYS CD C 29.510 0.400 1 252 . 26 LYS HD2 H 1.701 0.400 1 253 . 26 LYS HD3 H 1.701 0.400 1 254 . 26 LYS CE C 41.946 0.400 1 255 . 26 LYS HE2 H 2.927 0.400 1 256 . 26 LYS HE3 H 2.927 0.400 1 257 . 26 LYS C C 178.298 0.400 1 258 . 27 ILE N N 109.126 0.400 1 259 . 27 ILE H H 7.268 0.020 1 260 . 27 ILE CA C 61.320 0.400 1 261 . 27 ILE HA H 4.517 0.020 1 262 . 27 ILE CB C 39.097 0.400 1 263 . 27 ILE HB H 2.217 0.020 1 264 . 27 ILE HG2 H 0.891 0.400 1 265 . 27 ILE CG2 C 17.460 0.400 1 266 . 27 ILE CG1 C 26.212 0.400 1 267 . 27 ILE HG12 H 1.481 0.020 2 268 . 27 ILE HG13 H 1.304 0.020 2 269 . 27 ILE HD1 H 0.642 0.400 1 270 . 27 ILE CD1 C 12.908 0.400 1 271 . 27 ILE C C 176.684 0.400 1 272 . 28 GLY N N 112.271 0.400 1 273 . 28 GLY H H 7.980 0.020 1 274 . 28 GLY CA C 46.650 0.400 1 275 . 28 GLY HA2 H 4.102 0.020 2 276 . 28 GLY HA3 H 3.997 0.020 2 277 . 28 GLY C C 174.784 0.400 1 278 . 29 SER N N 114.555 0.400 1 279 . 29 SER H H 7.917 0.020 1 280 . 29 SER CA C 54.859 0.400 1 281 . 29 SER HA H 5.083 0.020 1 282 . 29 SER CB C 65.507 0.400 1 283 . 29 SER HB2 H 4.384 0.020 2 284 . 29 SER HB3 H 3.988 0.020 2 285 . 30 PRO CD C 50.444 0.400 1 286 . 30 PRO CA C 62.086 0.400 1 287 . 30 PRO HA H 3.381 0.020 1 288 . 30 PRO CB C 32.172 0.400 1 289 . 30 PRO HB2 H 1.155 0.400 1 290 . 30 PRO HB3 H 1.155 0.400 1 291 . 30 PRO CG C 26.340 0.400 1 292 . 30 PRO HG2 H 1.602 0.020 2 293 . 30 PRO HG3 H 1.704 0.020 2 294 . 30 PRO HD2 H 3.782 0.020 2 295 . 30 PRO HD3 H 3.611 0.020 2 296 . 30 PRO C C 177.928 0.400 1 297 . 31 TRP N N 110.977 0.400 1 298 . 31 TRP H H 5.717 0.020 1 299 . 31 TRP CA C 56.741 0.400 1 300 . 31 TRP HA H 4.876 0.020 1 301 . 31 TRP CB C 31.230 0.400 1 302 . 31 TRP HB2 H 3.495 0.020 2 303 . 31 TRP HB3 H 3.979 0.020 2 304 . 31 TRP CD1 C 127.200 0.400 1 305 . 31 TRP CE3 C 124.100 0.400 1 306 . 31 TRP NE1 N 133.125 0.400 1 307 . 31 TRP HD1 H 6.823 0.020 1 308 . 31 TRP HE3 H 7.938 0.020 1 309 . 31 TRP CZ3 C 122.100 0.400 1 310 . 31 TRP CZ2 C 115.060 0.400 1 311 . 31 TRP HE1 H 11.265 0.020 1 312 . 31 TRP HZ3 H 7.215 0.020 1 313 . 31 TRP CH2 C 122.900 0.400 1 314 . 31 TRP HZ2 H 7.663 0.020 1 315 . 31 TRP HH2 H 7.277 0.020 1 316 . 31 TRP C C 173.964 0.400 1 317 . 32 VAL N N 121.189 0.400 1 318 . 32 VAL H H 9.298 0.020 1 319 . 32 VAL CA C 65.043 0.400 1 320 . 32 VAL HA H 4.271 0.020 1 321 . 32 VAL CB C 30.625 0.400 1 322 . 32 VAL HB H 2.105 0.020 1 323 . 32 VAL HG1 H 0.778 0.400 2 324 . 32 VAL HG2 H 0.449 0.400 2 325 . 32 VAL CG1 C 21.635 0.400 1 326 . 32 VAL CG2 C 20.205 0.400 1 327 . 32 VAL C C 173.649 0.400 1 328 . 33 HIS N N 122.389 0.400 1 329 . 33 HIS H H 9.659 0.020 1 330 . 33 HIS CA C 52.864 0.400 1 331 . 33 HIS HA H 5.701 0.020 1 332 . 33 HIS CB C 33.003 0.400 1 333 . 33 HIS HB2 H 3.601 0.020 2 334 . 33 HIS HB3 H 3.945 0.020 2 335 . 33 HIS C C 174.524 0.400 1 336 . 34 LEU N N 113.976 0.400 1 337 . 34 LEU H H 9.465 0.020 1 338 . 34 LEU CA C 53.380 0.400 1 339 . 34 LEU HA H 5.244 0.020 1 340 . 34 LEU CB C 46.228 0.400 1 341 . 34 LEU HB2 H 1.084 0.020 2 342 . 34 LEU HB3 H 1.822 0.020 2 343 . 34 LEU CG C 26.430 0.400 1 344 . 34 LEU HG H 1.582 0.020 1 345 . 34 LEU HD1 H 0.722 0.400 2 346 . 34 LEU HD2 H -0.445 0.400 2 347 . 34 LEU CD1 C 26.400 0.400 1 348 . 34 LEU CD2 C 22.540 0.400 1 349 . 34 LEU C C 177.983 0.400 1 350 . 35 ARG N N 124.265 0.400 1 351 . 35 ARG H H 9.810 0.020 1 352 . 35 ARG CA C 53.440 0.400 1 353 . 35 ARG HA H 5.193 0.020 1 354 . 35 ARG CB C 31.985 0.400 1 355 . 35 ARG HB2 H 1.877 0.400 1 356 . 35 ARG HB3 H 1.877 0.400 1 357 . 35 ARG CG C 27.713 0.400 1 358 . 35 ARG HG2 H 1.857 0.020 2 359 . 35 ARG HG3 H 1.639 0.020 2 360 . 35 ARG CD C 42.878 0.400 1 361 . 35 ARG HD2 H 2.976 0.020 2 362 . 35 ARG HD3 H 3.221 0.020 2 363 . 35 ARG C C 174.018 0.400 1 364 . 36 ILE N N 120.644 0.400 1 365 . 36 ILE H H 8.955 0.020 1 366 . 36 ILE CA C 57.740 0.400 1 367 . 36 ILE HA H 5.282 0.020 1 368 . 36 ILE CB C 41.170 0.400 1 369 . 36 ILE HB H 0.567 0.020 1 370 . 36 ILE HG2 H 0.746 0.400 1 371 . 36 ILE CG2 C 17.493 0.400 1 372 . 36 ILE CG1 C 28.470 0.400 1 373 . 36 ILE HG12 H 0.605 0.020 2 374 . 36 ILE HG13 H 1.085 0.020 2 375 . 36 ILE HD1 H 0.183 0.400 1 376 . 36 ILE CD1 C 15.260 0.400 1 377 . 36 ILE C C 173.130 0.400 1 378 . 37 CYS N N 129.448 0.400 1 379 . 37 CYS H H 9.182 0.020 1 380 . 37 CYS CA C 60.305 0.400 1 381 . 37 CYS HA H 4.815 0.020 1 382 . 37 CYS CB C 30.485 0.400 1 383 . 37 CYS HB2 H 3.142 0.020 2 384 . 37 CYS HB3 H 3.431 0.020 2 385 . 37 CYS C C 178.052 0.400 1 386 . 38 ARG N N 127.340 0.400 1 387 . 38 ARG H H 8.705 0.020 1 388 . 38 ARG CA C 53.603 0.400 1 389 . 38 ARG HA H 4.624 0.020 1 390 . 38 ARG CB C 26.580 0.400 1 391 . 38 ARG HB2 H 1.719 0.020 2 392 . 38 ARG HB3 H 2.654 0.020 2 393 . 38 ARG CD C 38.283 0.400 1 394 . 38 ARG HD2 H 2.898 0.020 2 395 . 38 ARG HD3 H 4.120 0.020 2 396 . 38 ARG NE N 109.020 0.400 1 397 . 38 ARG HE H 6.814 0.020 1 398 . 38 ARG C C 173.594 0.400 1 399 . 39 THR N N 117.315 0.400 1 400 . 39 THR H H 9.308 0.020 1 401 . 39 THR CA C 66.120 0.400 1 402 . 39 THR HA H 4.355 0.020 1 403 . 39 THR CB C 69.340 0.400 1 404 . 39 THR HB H 3.416 0.020 1 405 . 39 THR HG2 H 0.528 0.400 1 406 . 39 THR CG2 C 19.351 0.400 1 407 . 39 THR C C 174.141 0.400 1 408 . 40 CYS N N 116.106 0.400 1 409 . 40 CYS H H 7.648 0.020 1 410 . 40 CYS CA C 58.303 0.400 1 411 . 40 CYS HA H 5.091 0.020 1 412 . 40 CYS CB C 34.213 0.400 1 413 . 40 CYS HB2 H 3.560 0.020 2 414 . 40 CYS HB3 H 2.716 0.020 2 415 . 40 CYS C C 176.466 0.400 1 416 . 41 GLY N N 114.062 0.400 1 417 . 41 GLY H H 8.134 0.020 1 418 . 41 GLY CA C 45.450 0.400 1 419 . 41 GLY HA2 H 3.357 0.020 2 420 . 41 GLY HA3 H 4.501 0.020 2 421 . 41 GLY C C 172.378 0.400 1 422 . 42 HIS N N 122.692 0.400 1 423 . 42 HIS H H 8.653 0.020 1 424 . 42 HIS CA C 58.630 0.400 1 425 . 42 HIS HA H 4.304 0.020 1 426 . 42 HIS CB C 28.857 0.400 1 427 . 42 HIS HB2 H 1.875 0.020 2 428 . 42 HIS HB3 H 3.176 0.020 2 429 . 42 HIS C C 174.962 0.400 1 430 . 43 VAL N N 132.032 0.400 1 431 . 43 VAL H H 7.419 0.020 1 432 . 43 VAL CA C 61.630 0.400 1 433 . 43 VAL HA H 4.332 0.020 1 434 . 43 VAL CB C 31.430 0.400 1 435 . 43 VAL HB H 2.097 0.020 1 436 . 43 VAL HG1 H 0.845 0.400 2 437 . 43 VAL HG2 H 0.459 0.400 2 438 . 43 VAL CG1 C 21.938 0.400 1 439 . 43 VAL CG2 C 25.652 0.400 1 440 . 43 VAL C C 173.964 0.400 1 441 . 44 GLY N N 111.865 0.400 1 442 . 44 GLY H H 8.627 0.020 1 443 . 44 GLY CA C 43.560 0.400 1 444 . 44 GLY HA2 H 3.176 0.020 2 445 . 44 GLY HA3 H 5.940 0.020 2 446 . 44 GLY C C 172.145 0.400 1 447 . 45 CYS N N 122.647 0.400 1 448 . 45 CYS H H 9.157 0.020 1 449 . 45 CYS CA C 57.160 0.400 1 450 . 45 CYS HA H 5.449 0.020 1 451 . 45 CYS CB C 31.093 0.400 1 452 . 45 CYS HB2 H 3.067 0.020 2 453 . 45 CYS HB3 H 4.156 0.020 2 454 . 45 CYS C C 175.604 0.400 1 455 . 46 CYS N N 119.912 0.400 1 456 . 46 CYS H H 8.059 0.020 1 457 . 46 CYS CA C 59.965 0.400 1 458 . 46 CYS HA H 4.551 0.020 1 459 . 46 CYS CB C 31.930 0.400 1 460 . 46 CYS HB2 H 3.588 0.020 2 461 . 46 CYS HB3 H 2.605 0.020 2 462 . 46 CYS C C 175.837 0.400 1 463 . 47 ASP N N 114.787 0.400 1 464 . 47 ASP H H 8.006 0.020 1 465 . 47 ASP CA C 56.132 0.400 1 466 . 47 ASP HA H 4.749 0.020 1 467 . 47 ASP CB C 40.348 0.400 1 468 . 47 ASP HB2 H 2.623 0.020 2 469 . 47 ASP HB3 H 2.934 0.020 2 470 . 47 ASP C C 176.725 0.400 1 471 . 48 ASP N N 123.650 0.400 1 472 . 48 ASP H H 9.920 0.020 1 473 . 48 ASP CA C 54.976 0.400 1 474 . 48 ASP HA H 4.908 0.020 1 475 . 48 ASP CB C 41.407 0.400 1 476 . 48 ASP HB2 H 2.740 0.400 1 477 . 48 ASP HB3 H 2.740 0.400 1 478 . 48 ASP C C 174.210 0.400 1 479 . 49 SER N N 122.830 0.400 1 480 . 49 SER H H 7.792 0.020 1 481 . 49 SER CA C 58.430 0.400 1 482 . 49 SER HA H 4.608 0.020 1 483 . 49 SER CB C 63.485 0.400 1 484 . 49 SER HB2 H 4.707 0.020 2 485 . 49 SER HB3 H 4.885 0.020 2 486 . 50 PRO CD C 50.020 0.400 1 487 . 50 PRO CA C 66.209 0.400 1 488 . 50 PRO HA H 4.002 0.020 1 489 . 50 PRO CB C 31.710 0.400 1 490 . 50 PRO HB2 H 1.245 0.020 2 491 . 50 PRO HB3 H 2.002 0.020 2 492 . 50 PRO CG C 27.430 0.400 1 493 . 50 PRO HG2 H 1.916 0.020 2 494 . 50 PRO HG3 H 1.887 0.020 2 495 . 50 PRO HD2 H 3.774 0.020 2 496 . 50 PRO HD3 H 4.034 0.020 2 497 . 50 PRO C C 178.927 0.400 1 498 . 51 HIS N N 110.858 0.400 1 499 . 51 HIS H H 7.902 0.020 1 500 . 51 HIS CA C 57.345 0.400 1 501 . 51 HIS HA H 4.323 0.020 1 502 . 51 HIS CB C 32.193 0.400 1 503 . 51 HIS HB2 H 1.681 0.020 2 504 . 51 HIS HB3 H 2.098 0.020 2 505 . 51 HIS CE1 C 137.700 0.400 1 506 . 51 HIS HE1 H 7.592 0.020 1 507 . 51 HIS C C 175.030 0.400 1 508 . 52 LYS N N 116.390 0.400 1 509 . 52 LYS H H 6.700 0.020 1 510 . 52 LYS CA C 56.950 0.400 1 511 . 52 LYS HA H 4.114 0.020 1 512 . 52 LYS CB C 29.082 0.400 1 513 . 52 LYS HB2 H 2.077 0.020 2 514 . 52 LYS HB3 H 1.935 0.020 2 515 . 52 LYS CG C 25.370 0.400 1 516 . 52 LYS HG2 H 1.232 0.020 2 517 . 52 LYS HG3 H 1.637 0.020 2 518 . 52 LYS CD C 29.750 0.400 1 519 . 52 LYS HD2 H 1.785 0.020 2 520 . 52 LYS HD3 H 1.642 0.020 2 521 . 52 LYS CE C 42.750 0.400 1 522 . 52 LYS HE2 H 3.020 0.020 2 523 . 52 LYS HE3 H 3.138 0.020 2 524 . 52 LYS C C 176.739 0.400 1 525 . 53 HIS N N 118.419 0.400 1 526 . 53 HIS H H 9.722 0.020 1 527 . 53 HIS CA C 62.788 0.400 1 528 . 53 HIS HA H 4.331 0.020 1 529 . 53 HIS CB C 30.672 0.400 1 530 . 53 HIS HB2 H 3.572 0.020 2 531 . 53 HIS HB3 H 3.920 0.020 2 532 . 53 HIS CD2 C 118.300 0.400 1 533 . 53 HIS HD2 H 7.151 0.020 1 534 . 53 HIS C C 180.116 0.400 1 535 . 54 ALA N N 126.260 0.400 1 536 . 54 ALA H H 9.541 0.020 1 537 . 54 ALA CA C 56.551 0.400 1 538 . 54 ALA HA H 4.483 0.020 1 539 . 54 ALA HB H 1.582 0.400 1 540 . 54 ALA CB C 17.617 0.400 1 541 . 54 ALA C C 180.813 0.400 1 542 . 55 THR N N 123.674 0.400 1 543 . 55 THR H H 9.617 0.020 1 544 . 55 THR CA C 67.570 0.400 1 545 . 55 THR HA H 4.262 0.020 1 546 . 55 THR CB C 66.853 0.400 1 547 . 55 THR HB H 3.795 0.020 1 548 . 55 THR HG2 H 1.316 0.400 1 549 . 55 THR CG2 C 23.720 0.400 1 550 . 55 THR C C 176.657 0.400 1 551 . 56 ARG N N 120.482 0.400 1 552 . 56 ARG H H 8.229 0.020 1 553 . 56 ARG CA C 59.931 0.400 1 554 . 56 ARG HA H 4.087 0.020 1 555 . 56 ARG CB C 30.002 0.400 1 556 . 56 ARG HB2 H 1.992 0.020 2 557 . 56 ARG HB3 H 2.101 0.020 2 558 . 56 ARG CG C 27.270 0.400 1 559 . 56 ARG HG2 H 1.965 0.020 2 560 . 56 ARG HG3 H 1.854 0.020 2 561 . 56 ARG CD C 43.870 0.400 1 562 . 56 ARG HD2 H 3.272 0.400 1 563 . 56 ARG HD3 H 3.272 0.400 1 564 . 56 ARG C C 178.872 0.400 1 565 . 57 HIS N N 119.206 0.400 1 566 . 57 HIS H H 8.228 0.020 1 567 . 57 HIS CA C 59.713 0.400 1 568 . 57 HIS HA H 4.201 0.020 1 569 . 57 HIS CB C 27.395 0.400 1 570 . 57 HIS HB2 H 2.702 0.020 2 571 . 57 HIS HB3 H 3.719 0.020 2 572 . 57 HIS CE1 C 141.000 0.400 1 573 . 57 HIS HE1 H 7.997 0.020 1 574 . 57 HIS C C 178.749 0.400 1 575 . 58 PHE N N 123.943 0.400 1 576 . 58 PHE H H 7.735 0.020 1 577 . 58 PHE CA C 60.851 0.400 1 578 . 58 PHE HA H 4.106 0.020 1 579 . 58 PHE CB C 37.375 0.400 1 580 . 58 PHE HB2 H 2.770 0.020 2 581 . 58 PHE HB3 H 2.438 0.020 2 582 . 58 PHE CD1 C 132.600 0.400 1 583 . 58 PHE HD1 H 7.353 0.020 1 584 . 58 PHE CE1 C 132.800 0.400 1 585 . 58 PHE HE1 H 6.057 0.020 1 586 . 58 PHE CE2 C 132.800 0.400 1 587 . 58 PHE HE2 H 6.057 0.020 1 588 . 58 PHE CD2 C 132.600 0.400 1 589 . 58 PHE HD2 H 7.353 0.020 1 590 . 58 PHE C C 178.134 0.400 1 591 . 59 HIS N N 120.259 0.400 1 592 . 59 HIS H H 7.938 0.020 1 593 . 59 HIS CA C 59.210 0.400 1 594 . 59 HIS HA H 3.623 0.020 1 595 . 59 HIS CB C 30.110 0.400 1 596 . 59 HIS HB2 H 2.971 0.400 1 597 . 59 HIS HB3 H 2.971 0.400 1 598 . 59 HIS C C 176.930 0.400 1 599 . 60 ALA N N 118.185 0.400 1 600 . 60 ALA H H 7.846 0.020 1 601 . 60 ALA CA C 54.150 0.400 1 602 . 60 ALA HA H 4.132 0.020 1 603 . 60 ALA HB H 1.346 0.400 1 604 . 60 ALA CB C 19.660 0.400 1 605 . 60 ALA C C 179.118 0.400 1 606 . 61 THR N N 103.864 0.400 1 607 . 61 THR H H 7.257 0.020 1 608 . 61 THR CA C 62.020 0.400 1 609 . 61 THR HA H 4.142 0.020 1 610 . 61 THR CB C 71.932 0.400 1 611 . 61 THR HB H 2.538 0.020 1 612 . 61 THR HG2 H 0.521 0.400 1 613 . 61 THR CG2 C 20.635 0.400 1 614 . 61 THR C C 175.809 0.400 1 615 . 62 GLY N N 112.485 0.400 1 616 . 62 GLY H H 8.440 0.020 1 617 . 62 GLY CA C 45.050 0.400 1 618 . 62 GLY HA2 H 4.018 0.020 2 619 . 62 GLY HA3 H 3.276 0.020 2 620 . 62 GLY C C 174.196 0.400 1 621 . 63 HIS N N 122.627 0.400 1 622 . 63 HIS H H 7.926 0.020 1 623 . 63 HIS CA C 51.782 0.400 1 624 . 63 HIS HA H 4.944 0.020 1 625 . 63 HIS CB C 32.320 0.400 1 626 . 63 HIS HB2 H 3.251 0.400 1 627 . 63 HIS HB3 H 3.251 0.400 1 628 . 63 HIS CD2 C 117.300 0.400 1 629 . 63 HIS CE1 C 139.900 0.400 1 630 . 63 HIS HD2 H 7.047 0.020 1 631 . 63 HIS HE1 H 8.201 0.020 1 632 . 64 PRO CD C 50.860 0.400 1 633 . 64 PRO CA C 66.930 0.400 1 634 . 64 PRO HA H 4.627 0.020 1 635 . 64 PRO CB C 32.230 0.400 1 636 . 64 PRO HB2 H 1.812 0.020 2 637 . 64 PRO HB3 H 2.234 0.020 2 638 . 64 PRO CG C 27.360 0.400 1 639 . 64 PRO HG2 H 2.065 0.400 1 640 . 64 PRO HG3 H 2.065 0.400 1 641 . 64 PRO HD2 H 3.730 0.020 2 642 . 64 PRO HD3 H 4.407 0.020 2 643 . 64 PRO C C 175.044 0.400 1 644 . 65 ILE N N 117.115 0.400 1 645 . 65 ILE H H 8.594 0.020 1 646 . 65 ILE CA C 59.357 0.400 1 647 . 65 ILE HA H 5.742 0.020 1 648 . 65 ILE CB C 40.340 0.400 1 649 . 65 ILE HB H 1.824 0.020 1 650 . 65 ILE HG2 H 0.988 0.400 1 651 . 65 ILE CG2 C 18.270 0.400 1 652 . 65 ILE CG1 C 28.320 0.400 1 653 . 65 ILE HG12 H 1.220 0.020 2 654 . 65 ILE HG13 H 1.636 0.020 2 655 . 65 ILE HD1 H 0.807 0.400 1 656 . 65 ILE CD1 C 14.320 0.400 1 657 . 65 ILE C C 177.327 0.400 1 658 . 66 ILE N N 120.362 0.400 1 659 . 66 ILE H H 8.812 0.020 1 660 . 66 ILE CA C 57.918 0.400 1 661 . 66 ILE HA H 5.448 0.020 1 662 . 66 ILE CB C 44.393 0.400 1 663 . 66 ILE HB H 1.657 0.020 1 664 . 66 ILE HG2 H 1.367 0.400 1 665 . 66 ILE CG2 C 21.005 0.400 1 666 . 66 ILE CG1 C 26.420 0.400 1 667 . 66 ILE HG12 H 1.282 0.020 2 668 . 66 ILE HG13 H 1.937 0.020 2 669 . 66 ILE HD1 H 0.945 0.400 1 670 . 66 ILE CD1 C 15.190 0.400 1 671 . 66 ILE C C 173.540 0.400 1 672 . 67 GLU N N 121.263 0.400 1 673 . 67 GLU H H 8.675 0.020 1 674 . 67 GLU CA C 51.756 0.400 1 675 . 67 GLU HA H 5.261 0.020 1 676 . 67 GLU CB C 34.107 0.400 1 677 . 67 GLU HB2 H 1.606 0.020 2 678 . 67 GLU HB3 H 2.035 0.020 2 679 . 67 GLU CG C 33.884 0.400 1 680 . 67 GLU HG2 H 1.600 0.020 2 681 . 67 GLU HG3 H 1.730 0.020 2 682 . 67 GLU C C 177.190 0.400 1 683 . 68 GLY N N 113.770 0.400 1 684 . 68 GLY H H 7.684 0.020 1 685 . 68 GLY CA C 48.750 0.400 1 686 . 68 GLY HA2 H 1.775 0.020 2 687 . 68 GLY HA3 H 3.301 0.020 2 688 . 68 GLY C C 171.503 0.400 1 689 . 69 TYR N N 132.596 0.400 1 690 . 69 TYR H H 7.604 0.020 1 691 . 69 TYR CA C 59.663 0.400 1 692 . 69 TYR HA H 4.516 0.020 1 693 . 69 TYR CB C 42.950 0.400 1 694 . 69 TYR HB2 H 2.166 0.020 2 695 . 69 TYR HB3 H 2.936 0.020 2 696 . 69 TYR C C 174.032 0.400 1 697 . 70 ASP N N 117.744 0.400 1 698 . 70 ASP H H 7.515 0.020 1 699 . 70 ASP CA C 53.172 0.400 1 700 . 70 ASP HA H 4.937 0.020 1 701 . 70 ASP CB C 46.613 0.400 1 702 . 70 ASP HB2 H 1.841 0.020 2 703 . 70 ASP HB3 H 2.678 0.020 2 704 . 71 PRO CD C 49.212 0.400 1 705 . 71 PRO CA C 62.061 0.400 1 706 . 71 PRO HA H 5.039 0.020 1 707 . 71 PRO CB C 32.358 0.400 1 708 . 71 PRO HB2 H 1.862 0.020 2 709 . 71 PRO HB3 H 2.381 0.020 2 710 . 71 PRO CG C 25.660 0.400 1 711 . 71 PRO HG2 H 1.621 0.020 2 712 . 71 PRO HG3 H 1.675 0.020 2 713 . 71 PRO HD2 H 3.053 0.020 2 714 . 71 PRO HD3 H 2.996 0.020 2 715 . 72 PRO CD C 49.995 0.400 1 716 . 72 PRO CA C 62.990 0.400 1 717 . 72 PRO HA H 4.489 0.020 1 718 . 72 PRO CB C 28.910 0.400 1 719 . 72 PRO HB2 H 1.705 0.020 2 720 . 72 PRO HB3 H 1.976 0.020 2 721 . 72 PRO CG C 27.564 0.400 1 722 . 72 PRO HG2 H 1.776 0.400 1 723 . 72 PRO HG3 H 1.776 0.400 1 724 . 72 PRO HD2 H 3.583 0.400 1 725 . 72 PRO HD3 H 3.583 0.400 1 726 . 72 PRO C C 175.905 0.400 1 727 . 73 GLU N N 125.157 0.400 1 728 . 73 GLU H H 7.657 0.020 1 729 . 73 GLU CA C 56.961 0.400 1 730 . 73 GLU HA H 4.271 0.020 1 731 . 73 GLU CB C 33.565 0.400 1 732 . 73 GLU HB2 H 1.742 0.020 2 733 . 73 GLU HB3 H 2.465 0.020 2 734 . 73 GLU CG C 38.200 0.400 1 735 . 73 GLU HG2 H 2.095 0.020 2 736 . 73 GLU HG3 H 2.185 0.020 2 737 . 73 GLU C C 179.036 0.400 1 738 . 74 GLY N N 104.615 0.400 1 739 . 74 GLY H H 8.095 0.020 1 740 . 74 GLY CA C 47.113 0.400 1 741 . 74 GLY HA2 H 3.519 0.020 2 742 . 74 GLY HA3 H 4.003 0.020 2 743 . 74 GLY C C 171.421 0.400 1 744 . 75 TRP N N 111.923 0.400 1 745 . 75 TRP H H 6.483 0.020 1 746 . 75 TRP CA C 52.661 0.400 1 747 . 75 TRP HA H 5.254 0.020 1 748 . 75 TRP CB C 32.453 0.400 1 749 . 75 TRP HB2 H 3.256 0.020 2 750 . 75 TRP HB3 H 3.546 0.020 2 751 . 75 TRP CD1 C 129.200 0.400 1 752 . 75 TRP CE3 C 122.200 0.400 1 753 . 75 TRP NE1 N 130.508 0.400 1 754 . 75 TRP HD1 H 7.120 0.020 1 755 . 75 TRP HE3 H 7.021 0.020 1 756 . 75 TRP CZ3 C 120.800 0.400 1 757 . 75 TRP CZ2 C 114.800 0.400 1 758 . 75 TRP HE1 H 10.480 0.020 1 759 . 75 TRP HZ3 H 6.581 0.020 1 760 . 75 TRP CH2 C 122.900 0.400 1 761 . 75 TRP HZ2 H 7.302 0.020 1 762 . 75 TRP HH2 H 6.677 0.020 1 763 . 75 TRP C C 175.030 0.400 1 764 . 76 GLY N N 107.171 0.400 1 765 . 76 GLY H H 9.217 0.020 1 766 . 76 GLY CA C 43.760 0.400 1 767 . 76 GLY HA2 H 2.852 0.020 2 768 . 76 GLY HA3 H 5.394 0.020 2 769 . 76 GLY C C 170.860 0.400 1 770 . 77 TRP N N 121.234 0.400 1 771 . 77 TRP H H 9.012 0.020 1 772 . 77 TRP CA C 55.003 0.400 1 773 . 77 TRP HA H 5.503 0.020 1 774 . 77 TRP CB C 34.340 0.400 1 775 . 77 TRP HB2 H 2.799 0.020 2 776 . 77 TRP HB3 H 3.121 0.020 2 777 . 77 TRP CD1 C 125.700 0.400 1 778 . 77 TRP CE3 C 120.800 0.400 1 779 . 77 TRP NE1 N 128.258 0.400 1 780 . 77 TRP HD1 H 5.571 0.020 1 781 . 77 TRP HE3 H 7.053 0.020 1 782 . 77 TRP CZ3 C 120.800 0.400 1 783 . 77 TRP CZ2 C 113.600 0.400 1 784 . 77 TRP HE1 H 9.050 0.020 1 785 . 77 TRP HZ3 H 6.701 0.020 1 786 . 77 TRP CH2 C 124.400 0.400 1 787 . 77 TRP HZ2 H 7.288 0.020 1 788 . 77 TRP HH2 H 6.973 0.020 1 789 . 77 TRP C C 173.540 0.400 1 790 . 78 CYS N N 125.578 0.400 1 791 . 78 CYS H H 7.449 0.020 1 792 . 78 CYS CA C 56.164 0.400 1 793 . 78 CYS HA H 5.084 0.020 1 794 . 78 CYS CB C 31.950 0.400 1 795 . 78 CYS HB2 H 2.623 0.020 2 796 . 78 CYS HB3 H 2.849 0.020 2 797 . 78 CYS C C 176.425 0.400 1 798 . 79 TYR N N 126.324 0.400 1 799 . 79 TYR H H 9.494 0.020 1 800 . 79 TYR CA C 61.615 0.400 1 801 . 79 TYR HA H 3.801 0.020 1 802 . 79 TYR CB C 38.193 0.400 1 803 . 79 TYR HB2 H 1.535 0.020 2 804 . 79 TYR HB3 H 1.603 0.020 2 805 . 79 TYR CD1 C 132.800 0.400 1 806 . 79 TYR HD1 H 7.118 0.020 1 807 . 79 TYR CE1 C 119.200 0.400 1 808 . 79 TYR HE1 H 7.043 0.020 1 809 . 79 TYR CE2 C 119.200 0.400 1 810 . 79 TYR HE2 H 7.043 0.020 1 811 . 79 TYR CD2 C 132.800 0.400 1 812 . 79 TYR HD2 H 7.118 0.020 1 813 . 79 TYR C C 177.272 0.400 1 814 . 80 VAL N N 119.959 0.400 1 815 . 80 VAL H H 8.097 0.020 1 816 . 80 VAL CA C 65.432 0.400 1 817 . 80 VAL HA H 3.735 0.020 1 818 . 80 VAL CB C 33.453 0.400 1 819 . 80 VAL HB H 1.592 0.020 1 820 . 80 VAL HG1 H 0.956 0.400 2 821 . 80 VAL HG2 H 0.988 0.400 2 822 . 80 VAL CG1 C 22.210 0.400 1 823 . 80 VAL CG2 C 21.162 0.400 1 824 . 80 VAL C C 177.067 0.400 1 825 . 81 ASP N N 119.905 0.400 1 826 . 81 ASP H H 9.261 0.020 1 827 . 81 ASP CA C 56.056 0.400 1 828 . 81 ASP HA H 4.610 0.020 1 829 . 81 ASP CB C 43.540 0.400 1 830 . 81 ASP HB2 H 2.367 0.020 2 831 . 81 ASP HB3 H 2.903 0.020 2 832 . 81 ASP C C 173.636 0.400 1 833 . 82 GLU N N 117.799 0.400 1 834 . 82 GLU H H 7.729 0.020 1 835 . 82 GLU CA C 56.616 0.400 1 836 . 82 GLU HA H 2.717 0.020 1 837 . 82 GLU CB C 26.274 0.400 1 838 . 82 GLU HB2 H 1.974 0.020 2 839 . 82 GLU HB3 H 2.144 0.020 2 840 . 82 GLU CG C 37.204 0.400 1 841 . 82 GLU HG2 H 1.980 0.020 2 842 . 82 GLU HG3 H 2.040 0.020 2 843 . 83 VAL N N 109.323 0.400 1 844 . 83 VAL H H 5.611 0.020 1 845 . 83 VAL CA C 58.464 0.400 1 846 . 83 VAL HA H 4.415 0.020 1 847 . 83 VAL CB C 35.651 0.400 1 848 . 83 VAL HB H 1.958 0.020 1 849 . 83 VAL HG1 H 0.834 0.400 2 850 . 83 VAL HG2 H 0.767 0.400 2 851 . 83 VAL CG1 C 21.465 0.400 1 852 . 83 VAL CG2 C 19.299 0.400 1 853 . 83 VAL C C 172.296 0.400 1 854 . 84 MET N N 123.485 0.400 1 855 . 84 MET H H 8.493 0.020 1 856 . 84 MET CA C 53.358 0.400 1 857 . 84 MET HA H 5.655 0.020 1 858 . 84 MET CB C 36.450 0.400 1 859 . 84 MET HB2 H 2.125 0.400 1 860 . 84 MET HB3 H 2.125 0.400 1 861 . 84 MET CG C 32.455 0.400 1 862 . 84 MET HG2 H 2.657 0.400 1 863 . 84 MET HG3 H 2.657 0.400 1 864 . 84 MET C C 175.591 0.400 1 865 . 85 PHE N N 121.334 0.400 1 866 . 85 PHE H H 8.573 0.020 1 867 . 85 PHE CA C 55.831 0.400 1 868 . 85 PHE HA H 5.183 0.020 1 869 . 85 PHE CB C 40.670 0.400 1 870 . 85 PHE HB2 H 3.042 0.020 2 871 . 85 PHE HB3 H 3.210 0.020 2 872 . 85 PHE CD1 C 132.500 0.400 1 873 . 85 PHE HD1 H 6.851 0.020 1 874 . 85 PHE CE1 C 130.560 0.400 1 875 . 85 PHE HE1 H 7.080 0.020 1 876 . 85 PHE CZ C 128.900 0.400 1 877 . 85 PHE HZ H 7.101 0.020 1 878 . 85 PHE CE2 C 130.560 0.400 1 879 . 85 PHE HE2 H 7.080 0.020 1 880 . 85 PHE CD2 C 132.500 0.400 1 881 . 85 PHE HD2 H 6.851 0.020 1 882 . 85 PHE C C 173.882 0.400 1 883 . 86 ASP N N 120.789 0.400 1 884 . 86 ASP H H 9.035 0.020 1 885 . 86 ASP CA C 55.605 0.400 1 886 . 86 ASP HA H 4.875 0.020 1 887 . 86 ASP CB C 42.364 0.400 1 888 . 86 ASP HB2 H 2.835 0.020 2 889 . 86 ASP HB3 H 2.983 0.020 2 890 . 86 ASP C C 176.261 0.400 1 891 . 87 LEU N N 126.557 0.400 1 892 . 87 LEU H H 8.518 0.020 1 893 . 87 LEU CA C 53.954 0.400 1 894 . 87 LEU HA H 4.831 0.020 1 895 . 87 LEU CB C 43.002 0.400 1 896 . 87 LEU HB2 H 1.207 0.020 2 897 . 87 LEU HB3 H 1.701 0.020 2 898 . 87 LEU CG C 26.352 0.400 1 899 . 87 LEU HG H 1.551 0.020 1 900 . 87 LEU HD1 H 0.787 0.400 2 901 . 87 LEU HD2 H 1.018 0.400 2 902 . 87 LEU CD1 C 26.040 0.400 1 903 . 87 LEU CD2 C 24.040 0.400 1 904 . 87 LEU C C 178.311 0.400 1 905 . 88 SER N N 116.545 0.400 1 906 . 88 SER H H 8.664 0.020 1 907 . 88 SER CA C 63.069 0.400 1 908 . 88 SER HA H 3.951 0.020 1 909 . 88 SER CB C 62.615 0.400 1 910 . 88 SER HB2 H 4.138 0.020 2 911 . 88 SER HB3 H 3.999 0.020 2 912 . 88 SER C C 174.907 0.400 1 913 . 89 ASP N N 118.964 0.400 1 914 . 89 ASP H H 8.820 0.020 1 915 . 89 ASP CA C 53.903 0.400 1 916 . 89 ASP HA H 4.618 0.020 1 917 . 89 ASP CB C 40.010 0.400 1 918 . 89 ASP HB2 H 2.672 0.020 2 919 . 89 ASP HB3 H 2.800 0.020 2 920 . 89 ASP C C 176.219 0.400 1 921 . 90 ARG N N 121.275 0.400 1 922 . 90 ARG H H 8.290 0.020 1 923 . 90 ARG CA C 54.150 0.400 1 924 . 90 ARG HA H 4.714 0.020 1 925 . 90 ARG CB C 29.995 0.400 1 926 . 90 ARG HB2 H 1.875 0.020 2 927 . 90 ARG HB3 H 1.684 0.020 2 928 . 90 ARG CG C 25.260 0.400 1 929 . 90 ARG HG2 H 1.532 0.020 2 930 . 90 ARG HG3 H 1.621 0.020 2 931 . 90 ARG CD C 44.390 0.400 1 932 . 90 ARG HD2 H 3.050 0.400 1 933 . 90 ARG HD3 H 3.050 0.400 1 934 . 90 ARG C C 174.784 0.400 1 935 . 91 MET N N 121.026 0.400 1 936 . 91 MET H H 8.047 0.020 1 937 . 91 MET CA C 56.660 0.400 1 938 . 91 MET HA H 4.084 0.020 1 939 . 91 MET CB C 32.120 0.400 1 940 . 91 MET HB2 H 2.323 0.020 2 941 . 91 MET HB3 H 2.708 0.020 2 942 . 91 MET CG C 35.204 0.400 1 943 . 91 MET HG2 H 1.886 0.020 2 944 . 91 MET HG3 H 2.101 0.020 2 945 . 91 MET HE H 1.994 0.400 1 946 . 91 MET CE C 15.834 0.400 1 947 . 91 MET C C 177.341 0.400 1 948 . 92 THR N N 126.544 0.400 1 949 . 92 THR H H 11.068 0.020 1 950 . 92 THR CA C 61.545 0.400 1 951 . 92 THR HA H 4.509 0.020 1 952 . 92 THR CB C 68.785 0.400 1 953 . 92 THR HB H 4.201 0.020 1 954 . 92 THR HG2 H 1.261 0.400 1 955 . 92 THR CG2 C 20.864 0.400 1 956 . 93 PRO CD C 51.192 0.400 1 957 . 93 PRO CA C 62.150 0.400 1 958 . 93 PRO HA H 4.431 0.020 1 959 . 93 PRO CB C 31.808 0.400 1 960 . 93 PRO HB2 H 1.852 0.020 2 961 . 93 PRO HB3 H 2.301 0.020 2 962 . 93 PRO CG C 27.360 0.400 1 963 . 93 PRO HG2 H 1.965 0.020 2 964 . 93 PRO HG3 H 2.109 0.020 2 965 . 93 PRO HD2 H 3.872 0.020 2 966 . 93 PRO HD3 H 4.230 0.020 2 967 . 93 PRO C C 177.053 0.400 1 968 . 94 HIS N N 120.690 0.400 1 969 . 94 HIS H H 8.882 0.020 1 970 . 94 HIS CA C 55.303 0.400 1 971 . 94 HIS HA H 5.056 0.020 1 972 . 94 HIS CB C 30.086 0.400 1 973 . 94 HIS HB2 H 3.101 0.400 1 974 . 94 HIS HB3 H 3.101 0.400 1 975 . 94 HIS C C 176.698 0.400 1 976 . 95 ASN N N 118.942 0.400 1 977 . 95 ASN H H 8.624 0.020 1 978 . 95 ASN CA C 52.834 0.400 1 979 . 95 ASN HA H 4.789 0.020 1 980 . 95 ASN CB C 36.507 0.400 1 981 . 95 ASN HB2 H 2.725 0.020 2 982 . 95 ASN HB3 H 3.051 0.020 2 983 . 95 ASN ND2 N 112.050 0.400 1 984 . 95 ASN HD21 H 6.864 0.020 2 985 . 95 ASN HD22 H 7.562 0.020 2 986 . 95 ASN C C 173.745 0.400 1 987 . 96 GLY N N 108.107 0.400 1 988 . 96 GLY H H 7.426 0.020 1 989 . 96 GLY CA C 44.846 0.400 1 990 . 96 GLY HA2 H 4.092 0.020 2 991 . 96 GLY HA3 H 3.983 0.020 2 992 . 97 PRO CD C 49.305 0.400 1 993 . 97 PRO CA C 62.675 0.400 1 994 . 97 PRO HA H 4.410 0.020 1 995 . 97 PRO CB C 31.540 0.400 1 996 . 97 PRO HB2 H 1.871 0.020 2 997 . 97 PRO HB3 H 2.169 0.020 2 998 . 97 PRO CG C 26.915 0.400 1 999 . 97 PRO HG2 H 2.015 0.020 2 1000 . 97 PRO HG3 H 2.141 0.020 2 1001 . 97 PRO HD2 H 3.555 0.400 1 1002 . 97 PRO HD3 H 3.555 0.400 1 1003 . 97 PRO C C 175.331 0.400 1 1004 . 98 ILE N N 124.417 0.400 1 1005 . 98 ILE H H 8.019 0.020 1 1006 . 98 ILE CA C 57.934 0.400 1 1007 . 98 ILE HA H 4.504 0.020 1 1008 . 98 ILE CB C 41.517 0.400 1 1009 . 98 ILE HB H 1.564 0.020 1 1010 . 98 ILE HG2 H 1.046 0.400 1 1011 . 98 ILE CG2 C 17.214 0.400 1 1012 . 98 ILE CG1 C 27.964 0.400 1 1013 . 98 ILE HG12 H 0.537 0.020 2 1014 . 98 ILE HG13 H 1.623 0.020 2 1015 . 98 ILE HD1 H 0.397 0.400 1 1016 . 98 ILE CD1 C 13.842 0.400 1 1017 . 99 PRO CD C 52.020 0.400 1 1018 . 99 PRO CA C 63.540 0.400 1 1019 . 99 PRO HA H 4.151 0.020 1 1020 . 99 PRO CB C 32.450 0.400 1 1021 . 99 PRO HB2 H 1.498 0.020 2 1022 . 99 PRO HB3 H 1.966 0.020 2 1023 . 99 PRO CG C 27.650 0.400 1 1024 . 99 PRO HG2 H 2.049 0.020 2 1025 . 99 PRO HG3 H 2.290 0.020 2 1026 . 99 PRO HD2 H 3.942 0.020 2 1027 . 99 PRO HD3 H 4.055 0.020 2 1028 . 99 PRO C C 174.210 0.400 1 1029 . 100 ARG N N 119.775 0.400 1 1030 . 100 ARG H H 7.915 0.020 1 1031 . 100 ARG CA C 54.510 0.400 1 1032 . 100 ARG HA H 4.423 0.020 1 1033 . 100 ARG CB C 32.790 0.400 1 1034 . 100 ARG HB2 H 1.723 0.020 2 1035 . 100 ARG HB3 H 1.779 0.020 2 1036 . 100 ARG CG C 27.320 0.400 1 1037 . 100 ARG HG2 H 1.705 0.020 2 1038 . 100 ARG HG3 H 1.759 0.020 2 1039 . 100 ARG CD C 43.170 0.400 1 1040 . 100 ARG HD2 H 3.301 0.400 1 1041 . 100 ARG HD3 H 3.301 0.400 1 1042 . 100 ARG C C 175.768 0.400 1 1043 . 101 TYR N N 123.148 0.400 1 1044 . 101 TYR H H 9.282 0.020 1 1045 . 101 TYR CA C 58.704 0.400 1 1046 . 101 TYR HA H 4.447 0.020 1 1047 . 101 TYR CB C 39.679 0.400 1 1048 . 101 TYR HB2 H 2.861 0.020 2 1049 . 101 TYR HB3 H 3.183 0.020 2 1050 . 101 TYR CD1 C 132.300 0.400 1 1051 . 101 TYR HD1 H 6.361 0.020 1 1052 . 101 TYR CE1 C 118.200 0.400 1 1053 . 101 TYR HE1 H 5.448 0.020 1 1054 . 101 TYR CE2 C 118.200 0.400 1 1055 . 101 TYR HE2 H 5.448 0.020 1 1056 . 101 TYR CD2 C 132.300 0.400 1 1057 . 101 TYR HD2 H 6.361 0.020 1 1058 . 101 TYR C C 175.016 0.400 1 1059 . 102 VAL N N 120.220 0.400 1 1060 . 102 VAL H H 7.324 0.020 1 1061 . 102 VAL CA C 62.084 0.400 1 1062 . 102 VAL HA H 4.255 0.020 1 1063 . 102 VAL CB C 34.062 0.400 1 1064 . 102 VAL HB H 2.285 0.020 1 1065 . 102 VAL HG1 H 0.992 0.400 2 1066 . 102 VAL HG2 H 0.964 0.400 2 1067 . 102 VAL CG1 C 22.423 0.400 1 1068 . 102 VAL CG2 C 19.480 0.400 1 stop_ save_