data_7182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of YcgL, a Conserved Protein from Escherichia coli Representing the DUF709 Family with a Novel a/b/a Sandwich Fold ; _BMRB_accession_number 7182 _BMRB_flat_file_name bmr7182.str _Entry_type original _Submission_date 2006-06-21 _Accession_date 2006-07-14 _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 Minailiuc O. M. . 2 Vavelyuk O. . . 3 Ekiel I. . . 4 Hung M.-Ni. . . 5 Cygler M. . . 6 Gandhi S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 504 "13C chemical shifts" 422 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-05 original author . stop_ _Original_release_date 2007-03-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of YcgL, a conserved protein from Escherichia coli representing the DUF709 family, with a novel alpha/beta/alpha sandwich fold' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17221885 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Minailiuc O. M. . 2 Vavelyuk O. . . 3 Gandhi S. . . 4 Hung M-N . . 5 Cygler M. . . 6 Ekiel I. . . stop_ _Journal_abbreviation Proteins _Journal_volume 66 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1004 _Page_last 1007 _Year 2007 _Details . loop_ _Keyword '3-layer (alpha/beta/alpha) sandwich' 'beta-Sheet Layer Antiparallel 3124 topology' BSGI 'Mixed ALPHA/BETA/ALPHA Sandwich Structure' 'Montreal-Kingston Bacterial Structural Genomics Initiative' 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein ycgL' _Abbreviation_common 'Hypothetical protein ycgL' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein ycgL' $ycgL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ycgL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein ycgL' _Abbreviation_common 'Hypothetical protein ycgL' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSMPKPGILKSKSMFCVIYR SSKRDQTYLYVEKKDDFSRV PEELMKGFGQPQLAMILPLD GRKKLVNADIEKVKQALTEQ GYYLQLPPPPEDLLKQHLSV MGQKTDDTNK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 PRO 5 LYS 6 PRO 7 GLY 8 ILE 9 LEU 10 LYS 11 SER 12 LYS 13 SER 14 MET 15 PHE 16 CYS 17 VAL 18 ILE 19 TYR 20 ARG 21 SER 22 SER 23 LYS 24 ARG 25 ASP 26 GLN 27 THR 28 TYR 29 LEU 30 TYR 31 VAL 32 GLU 33 LYS 34 LYS 35 ASP 36 ASP 37 PHE 38 SER 39 ARG 40 VAL 41 PRO 42 GLU 43 GLU 44 LEU 45 MET 46 LYS 47 GLY 48 PHE 49 GLY 50 GLN 51 PRO 52 GLN 53 LEU 54 ALA 55 MET 56 ILE 57 LEU 58 PRO 59 LEU 60 ASP 61 GLY 62 ARG 63 LYS 64 LYS 65 LEU 66 VAL 67 ASN 68 ALA 69 ASP 70 ILE 71 GLU 72 LYS 73 VAL 74 LYS 75 GLN 76 ALA 77 LEU 78 THR 79 GLU 80 GLN 81 GLY 82 TYR 83 TYR 84 LEU 85 GLN 86 LEU 87 PRO 88 PRO 89 PRO 90 PRO 91 GLU 92 ASP 93 LEU 94 LEU 95 LYS 96 GLN 97 HIS 98 LEU 99 SER 100 VAL 101 MET 102 GLY 103 GLN 104 LYS 105 THR 106 ASP 107 ASP 108 THR 109 ASN 110 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2H7A "Nmr Structure Of The Conserved Protein Ycgl From Escherichia Coli Representing The Duf709 Family Reveals A Novel ABA SANDWICH F" 100.00 110 100.00 100.00 9.27e-73 DBJ BAA36013 "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" 98.18 108 100.00 100.00 4.01e-71 DBJ BAB35097 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 98.18 108 100.00 100.00 4.01e-71 DBJ BAG76750 "conserved hypothetical protein [Escherichia coli SE11]" 98.18 108 99.07 99.07 5.21e-70 DBJ BAI24991 "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" 88.18 97 98.97 98.97 4.32e-62 DBJ BAI30116 "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" 88.18 97 98.97 98.97 4.32e-62 EMBL CAP75714 "Uncharacterized protein ycgl [Escherichia coli LF82]" 98.18 108 100.00 100.00 4.01e-71 EMBL CAQ31681 "conserved protein [Escherichia coli BL21(DE3)]" 98.18 108 99.07 99.07 5.21e-70 EMBL CAQ98057 "conserved hypothetical protein [Escherichia coli IAI1]" 98.18 108 99.07 99.07 5.21e-70 EMBL CAR02568 "conserved hypothetical protein [Escherichia coli S88]" 98.18 108 100.00 100.00 4.01e-71 EMBL CAR07521 "conserved hypothetical protein [Escherichia coli ED1a]" 98.18 108 100.00 100.00 4.01e-71 GB AAC74263 "UPF0745 family protein [Escherichia coli str. K-12 substr. MG1655]" 88.18 97 100.00 100.00 3.26e-63 GB AAG56030 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 98.18 108 100.00 100.00 4.01e-71 GB AAN42784 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 98.18 108 99.07 99.07 5.21e-70 GB AAN80092 "Protein ycgL [Escherichia coli CFT073]" 98.18 108 100.00 100.00 4.01e-71 GB AAP16675 "hypothetical protein S1256 [Shigella flexneri 2a str. 2457T]" 98.18 108 98.15 98.15 1.87e-69 REF NP_287418 "hypothetical protein Z1941 [Escherichia coli O157:H7 str. EDL933]" 98.18 108 100.00 100.00 4.01e-71 REF NP_309701 "hypothetical protein ECs1674 [Escherichia coli O157:H7 str. Sakai]" 88.18 97 100.00 100.00 3.26e-63 REF NP_415697 "UPF0745 family protein [Escherichia coli str. K-12 substr. MG1655]" 88.18 97 100.00 100.00 3.26e-63 REF NP_707077 "hypothetical protein SF1168 [Shigella flexneri 2a str. 301]" 98.18 108 99.07 99.07 5.21e-70 REF NP_753532 "hypothetical protein c1627 [Escherichia coli CFT073]" 98.18 108 100.00 100.00 4.01e-71 SP A1AAA3 "RecName: Full=Protein YcgL [Escherichia coli APEC O1]" 98.18 108 100.00 100.00 4.01e-71 SP A7ZKV0 "RecName: Full=Protein YcgL [Escherichia coli E24377A]" 98.18 108 99.07 99.07 5.21e-70 SP A7ZZB3 "RecName: Full=Protein YcgL [Escherichia coli HS]" 98.18 108 99.07 99.07 5.21e-70 SP B1IUB2 "RecName: Full=Protein YcgL [Escherichia coli ATCC 8739]" 98.18 108 99.07 99.07 5.21e-70 SP B1LHY8 "RecName: Full=Protein YcgL [Escherichia coli SMS-3-5]" 98.18 108 100.00 100.00 4.01e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ycgL 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $ycgL 'recombinant technology' . . . . . 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 $ycgL . mM . 'phosphate buffer' 50 mM . DTT 15 mM . 'sodium azide' 0.02 '% (w/v)' . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version . loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details 'Frank Delaglio' save_ save_CARA _Saveframe_category software _Name CARA _Version 135 loop_ _Task 'data analysis' stop_ _Details 'Rochus Keller' save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'Peter Guntert' save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2112 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_3D-HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label $sample_1 save_ save_1H-15N_TOCSY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HMQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.8 . pH pressure 1 . atm temperature 308 . 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_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hypothetical protein ycgL' _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 . 4 PRO CD C 50.695 0.000 . 2 . 4 PRO CA C 63.429 0.000 . 3 . 4 PRO HA H 4.475 0.000 . 4 . 4 PRO CB C 31.909 0.000 . 5 . 4 PRO HB2 H 2.324 0.000 . 6 . 4 PRO HB3 H 1.946 0.000 . 7 . 4 PRO CG C 27.307 0.000 . 8 . 4 PRO HG2 H 2.060 0.000 . 9 . 4 PRO HD2 H 3.742 0.000 . 10 . 4 PRO HD3 H 3.857 0.000 . 11 . 5 LYS N N 121.793 0.000 . 12 . 5 LYS H H 8.211 0.000 . 13 . 5 LYS HA H 4.488 0.000 . 14 . 5 LYS HB2 H 1.734 0.000 . 15 . 5 LYS HG2 H 1.450 0.000 . 16 . 5 LYS HD2 H 1.736 0.000 . 17 . 5 LYS HE2 H 2.773 0.000 . 18 . 6 PRO CD C 50.835 0.000 . 19 . 6 PRO CA C 63.522 0.000 . 20 . 6 PRO HA H 4.475 0.000 . 21 . 6 PRO CB C 32.056 0.000 . 22 . 6 PRO HB2 H 2.330 0.000 . 23 . 6 PRO HB3 H 1.990 0.000 . 24 . 6 PRO CG C 27.283 0.000 . 25 . 6 PRO HG2 H 2.062 0.000 . 26 . 6 PRO HD2 H 3.717 0.000 . 27 . 6 PRO HD3 H 3.865 0.000 . 28 . 7 GLY N N 109.648 0.000 . 29 . 7 GLY H H 8.472 0.000 . 30 . 7 GLY CA C 45.235 0.000 . 31 . 7 GLY HA2 H 4.012 0.000 . 32 . 7 GLY HA3 H 3.959 0.000 . 33 . 7 GLY C C 171.439 0.000 . 34 . 8 ILE N N 120.531 0.000 . 35 . 8 ILE H H 7.928 0.000 . 36 . 8 ILE CA C 60.905 0.000 . 37 . 8 ILE HA H 4.216 0.000 . 38 . 8 ILE CB C 38.520 0.000 . 39 . 8 ILE HB H 1.921 0.000 . 40 . 8 ILE HG2 H 0.929 0.000 . 41 . 8 ILE CG2 C 17.365 0.000 . 42 . 8 ILE CG1 C 27.279 0.000 . 43 . 8 ILE HG12 H 1.229 0.000 . 44 . 8 ILE HG13 H 1.467 0.000 . 45 . 8 ILE HD1 H 0.889 0.000 . 46 . 8 ILE CD1 C 12.769 0.000 . 47 . 8 ILE C C 173.555 0.000 . 48 . 9 LEU N N 126.756 0.000 . 49 . 9 LEU H H 8.318 0.000 . 50 . 9 LEU CA C 55.010 0.000 . 51 . 9 LEU HA H 4.427 0.000 . 52 . 9 LEU CB C 42.238 0.000 . 53 . 9 LEU HB2 H 1.688 0.000 . 54 . 9 LEU HB3 H 1.639 0.000 . 55 . 9 LEU HD1 H 0.968 0.000 . 56 . 9 LEU HD2 H 0.913 0.000 . 57 . 9 LEU CD1 C 24.876 0.000 . 58 . 9 LEU CD2 C 23.195 0.000 . 59 . 9 LEU C C 174.451 0.000 . 60 . 10 LYS N N 123.489 0.000 . 61 . 10 LYS H H 8.310 0.000 . 62 . 10 LYS CA C 62.416 0.000 . 63 . 10 LYS HA H 4.511 0.000 . 64 . 12 LYS N N 123.335 0.000 . 65 . 12 LYS H H 8.326 0.000 . 66 . 12 LYS CA C 56.007 0.000 . 67 . 12 LYS HA H 4.397 0.000 . 68 . 12 LYS CB C 32.759 0.000 . 69 . 12 LYS HB2 H 1.860 0.000 . 70 . 12 LYS HB3 H 1.856 0.000 . 71 . 12 LYS HG2 H 1.501 0.000 . 72 . 12 LYS HG3 H 1.469 0.000 . 73 . 12 LYS HE2 H 3.053 0.000 . 74 . 13 SER N N 117.537 0.000 . 75 . 13 SER H H 8.287 0.000 . 76 . 13 SER CA C 58.117 0.000 . 77 . 13 SER HA H 4.464 0.000 . 78 . 13 SER CB C 63.484 0.000 . 79 . 13 SER HB2 H 3.840 0.000 . 80 . 14 MET N N 122.969 0.000 . 81 . 14 MET H H 8.490 0.000 . 82 . 14 MET CA C 55.262 0.000 . 83 . 14 MET HA H 4.623 0.000 . 84 . 14 MET CB C 33.933 0.000 . 85 . 14 MET HB2 H 1.999 0.000 . 86 . 14 MET CG C 32.249 0.000 . 87 . 14 MET HG2 H 2.602 0.000 . 88 . 14 MET HG3 H 2.503 0.000 . 89 . 14 MET C C 171.866 0.000 . 90 . 15 PHE N N 121.796 0.000 . 91 . 15 PHE H H 8.438 0.000 . 92 . 15 PHE CA C 56.632 0.000 . 93 . 15 PHE HA H 5.225 0.000 . 94 . 15 PHE CB C 42.260 0.000 . 95 . 15 PHE HB2 H 2.986 0.000 . 96 . 15 PHE HD1 H 7.109 0.000 . 97 . 15 PHE HE1 H 7.341 0.000 . 98 . 15 PHE CD1 C 132.431 0.000 . 99 . 15 PHE CE1 C 132.206 0.000 . 100 . 15 PHE CZ C 132.302 0.000 . 101 . 15 PHE HZ H 7.109 0.000 . 102 . 15 PHE CE2 C 132.206 0.000 . 103 . 15 PHE CD2 C 132.431 0.000 . 104 . 16 CYS N N 114.301 0.000 . 105 . 16 CYS H H 8.806 0.000 . 106 . 16 CYS CA C 55.961 0.000 . 107 . 16 CYS HA H 5.279 0.000 . 108 . 16 CYS CB C 31.407 0.000 . 109 . 16 CYS HB2 H 3.151 0.000 . 110 . 16 CYS HB3 H 2.808 0.000 . 111 . 16 CYS C C 168.486 0.000 . 112 . 17 VAL N N 122.003 0.000 . 113 . 17 VAL H H 8.998 0.000 . 114 . 17 VAL CA C 62.008 0.000 . 115 . 17 VAL HA H 4.499 0.000 . 116 . 17 VAL CB C 33.016 0.000 . 117 . 17 VAL HB H 1.873 0.000 . 118 . 17 VAL HG1 H 0.718 0.000 . 119 . 17 VAL HG2 H 0.820 0.000 . 120 . 17 VAL CG1 C 23.100 0.000 . 121 . 17 VAL CG2 C 21.006 0.000 . 122 . 17 VAL C C 171.230 0.000 . 123 . 18 ILE N N 124.820 0.000 . 124 . 18 ILE H H 8.752 0.000 . 125 . 18 ILE CA C 60.921 0.000 . 126 . 18 ILE HA H 4.767 0.000 . 127 . 18 ILE CB C 39.161 0.000 . 128 . 18 ILE HB H 1.541 0.000 . 129 . 18 ILE HG2 H 0.518 0.000 . 130 . 18 ILE CG2 C 17.662 0.000 . 131 . 18 ILE CG1 C 26.918 0.000 . 132 . 18 ILE HG12 H 1.262 0.000 . 133 . 18 ILE HG13 H 0.169 0.000 . 134 . 18 ILE HD1 H 0.536 0.000 . 135 . 18 ILE CD1 C 15.039 0.000 . 136 . 18 ILE C C 172.672 0.000 . 137 . 19 TYR N N 126.689 0.000 . 138 . 19 TYR H H 9.981 0.000 . 139 . 19 TYR CA C 57.351 0.000 . 140 . 19 TYR HA H 5.206 0.000 . 141 . 19 TYR CB C 42.013 0.000 . 142 . 19 TYR HB2 H 3.129 0.000 . 143 . 19 TYR HB3 H 3.058 0.000 . 144 . 19 TYR HD2 H 7.065 0.000 . 145 . 19 TYR HE1 H 6.832 0.000 . 146 . 19 TYR CD1 C 133.065 0.000 . 147 . 19 TYR CE1 C 118.744 0.000 . 148 . 19 TYR CE2 C 118.744 0.000 . 149 . 19 TYR CD2 C 133.065 0.000 . 150 . 19 TYR C C 172.834 0.000 . 151 . 20 ARG N N 122.224 0.000 . 152 . 20 ARG H H 9.943 0.000 . 153 . 20 ARG CA C 54.124 0.000 . 154 . 20 ARG HA H 5.075 0.000 . 155 . 20 ARG CB C 33.494 0.000 . 156 . 20 ARG HB2 H 1.866 0.000 . 157 . 20 ARG HB3 H 1.972 0.000 . 158 . 20 ARG CG C 27.441 0.000 . 159 . 20 ARG HG3 H 1.440 0.000 . 160 . 20 ARG HG2 H 1.730 0.000 . 161 . 20 ARG CD C 43.391 0.000 . 162 . 20 ARG HD2 H 3.299 0.000 . 163 . 20 ARG C C 172.114 0.000 . 164 . 21 SER N N 116.249 0.000 . 165 . 21 SER H H 7.808 0.000 . 166 . 21 SER CA C 56.649 0.000 . 167 . 21 SER HA H 3.830 0.000 . 168 . 21 SER CB C 63.479 0.000 . 169 . 21 SER HB2 H 3.480 0.000 . 170 . 21 SER HB3 H 2.195 0.000 . 171 . 21 SER C C 173.202 0.000 . 172 . 22 SER N N 121.576 0.000 . 173 . 22 SER H H 8.041 0.000 . 174 . 22 SER CA C 59.845 0.000 . 175 . 22 SER HA H 4.360 0.000 . 176 . 22 SER CB C 63.116 0.000 . 177 . 22 SER HB3 H 3.998 0.000 . 178 . 22 SER HB2 H 4.035 0.000 . 179 . 22 SER C C 171.509 0.000 . 180 . 23 LYS N N 120.485 0.000 . 181 . 23 LYS H H 7.715 0.000 . 182 . 23 LYS CA C 56.739 0.000 . 183 . 23 LYS HA H 4.391 0.000 . 184 . 23 LYS CB C 34.816 0.000 . 185 . 23 LYS HB2 H 1.686 0.000 . 186 . 23 LYS HB3 H 1.514 0.000 . 187 . 23 LYS CG C 24.349 0.000 . 188 . 23 LYS HG2 H 1.321 0.000 . 189 . 23 LYS CD C 28.794 0.000 . 190 . 23 LYS CE C 41.967 0.000 . 191 . 23 LYS HZ H 6.127 0.000 . 192 . 23 LYS C C 173.230 0.000 . 193 . 24 ARG N N 119.260 0.000 . 194 . 24 ARG H H 7.522 0.000 . 195 . 24 ARG CA C 54.135 0.000 . 196 . 24 ARG HA H 4.497 0.000 . 197 . 24 ARG CB C 31.019 0.000 . 198 . 24 ARG HB2 H 1.781 0.000 . 199 . 24 ARG HG2 H 1.500 0.000 . 200 . 25 ASP N N 124.470 0.000 . 201 . 25 ASP H H 8.463 0.000 . 202 . 25 ASP CA C 55.036 0.000 . 203 . 25 ASP HA H 4.494 0.000 . 204 . 25 ASP CB C 41.355 0.000 . 205 . 25 ASP HB2 H 2.622 0.000 . 206 . 25 ASP HB3 H 2.699 0.000 . 207 . 25 ASP C C 174.592 0.000 . 208 . 26 GLN N N 118.446 0.000 . 209 . 26 GLN H H 8.815 0.000 . 210 . 26 GLN CA C 57.099 0.000 . 211 . 26 GLN HA H 3.770 0.000 . 212 . 26 GLN CB C 27.023 0.000 . 213 . 26 GLN HB2 H 2.135 0.000 . 214 . 26 GLN CG C 33.680 0.000 . 215 . 26 GLN HG2 H 2.400 0.000 . 216 . 26 GLN NE2 N 112.086 0.000 . 217 . 26 GLN HE21 H 7.386 0.000 . 218 . 26 GLN HE22 H 6.934 0.000 . 219 . 26 GLN C C 169.772 0.000 . 220 . 27 THR N N 113.337 0.000 . 221 . 27 THR H H 6.982 0.000 . 222 . 27 THR CA C 61.667 0.000 . 223 . 27 THR HA H 5.099 0.000 . 224 . 27 THR CB C 69.618 0.000 . 225 . 27 THR HB H 3.684 0.000 . 226 . 27 THR HG2 H 1.260 0.000 . 227 . 27 THR CG2 C 19.908 0.000 . 228 . 27 THR C C 170.495 0.000 . 229 . 28 TYR N N 124.227 0.000 . 230 . 28 TYR H H 9.038 0.000 . 231 . 28 TYR CA C 56.212 0.000 . 232 . 28 TYR HA H 5.871 0.000 . 233 . 28 TYR CB C 43.012 0.000 . 234 . 28 TYR HB2 H 3.031 0.000 . 235 . 28 TYR HB3 H 2.937 0.000 . 236 . 28 TYR HD2 H 6.940 0.000 . 237 . 28 TYR HE1 H 6.689 0.000 . 238 . 28 TYR CD1 C 131.672 0.000 . 239 . 28 TYR CE1 C 118.114 0.000 . 240 . 28 TYR CE2 C 118.114 0.000 . 241 . 28 TYR CD2 C 131.672 0.000 . 242 . 28 TYR C C 170.695 0.000 . 243 . 29 LEU N N 124.897 0.000 . 244 . 29 LEU H H 9.579 0.000 . 245 . 29 LEU CA C 53.486 0.000 . 246 . 29 LEU HA H 5.455 0.000 . 247 . 29 LEU CB C 47.332 0.000 . 248 . 29 LEU HB2 H 1.484 0.000 . 249 . 29 LEU HB3 H 0.905 0.000 . 250 . 29 LEU CG C 27.341 0.000 . 251 . 29 LEU HG H 1.450 0.000 . 252 . 29 LEU HD1 H 0.400 0.000 . 253 . 29 LEU HD2 H 0.646 0.000 . 254 . 29 LEU CD1 C 26.074 0.000 . 255 . 29 LEU CD2 C 23.650 0.000 . 256 . 29 LEU C C 171.579 0.000 . 257 . 30 TYR N N 128.545 0.000 . 258 . 30 TYR H H 9.990 0.000 . 259 . 30 TYR CA C 55.702 0.000 . 260 . 30 TYR HA H 5.845 0.000 . 261 . 30 TYR CB C 39.247 0.000 . 262 . 30 TYR HB2 H 3.538 0.000 . 263 . 30 TYR HB3 H 2.734 0.000 . 264 . 30 TYR HD2 H 7.407 0.000 . 265 . 30 TYR HE1 H 6.767 0.000 . 266 . 30 TYR CD1 C 134.229 0.000 . 267 . 30 TYR CE1 C 118.250 0.000 . 268 . 30 TYR CE2 C 118.250 0.000 . 269 . 30 TYR CD2 C 134.229 0.000 . 270 . 30 TYR C C 173.532 0.000 . 271 . 31 VAL N N 113.516 0.000 . 272 . 31 VAL H H 9.249 0.000 . 273 . 31 VAL CA C 59.719 0.000 . 274 . 31 VAL HA H 5.074 0.000 . 275 . 31 VAL CB C 35.767 0.000 . 276 . 31 VAL HB H 2.740 0.000 . 277 . 31 VAL HG1 H 0.919 0.000 . 278 . 31 VAL HG2 H 1.161 0.000 . 279 . 31 VAL CG1 C 18.867 0.000 . 280 . 31 VAL CG2 C 22.642 0.000 . 281 . 31 VAL C C 172.602 0.000 . 282 . 32 GLU N N 119.470 0.000 . 283 . 32 GLU H H 8.225 0.000 . 284 . 32 GLU CA C 59.923 0.000 . 285 . 32 GLU HA H 4.277 0.000 . 286 . 32 GLU CB C 32.202 0.000 . 287 . 32 GLU HB3 H 2.107 0.000 . 288 . 32 GLU HB2 H 2.157 0.000 . 289 . 32 GLU CG C 38.207 0.000 . 290 . 32 GLU HG3 H 2.237 0.000 . 291 . 32 GLU HG2 H 2.440 0.000 . 292 . 32 GLU C C 173.090 0.000 . 293 . 33 LYS N N 117.365 0.000 . 294 . 33 LYS H H 8.649 0.000 . 295 . 33 LYS CA C 54.236 0.000 . 296 . 33 LYS HA H 4.578 0.000 . 297 . 33 LYS CB C 35.520 0.000 . 298 . 33 LYS HB2 H 1.841 0.000 . 299 . 33 LYS HB3 H 1.782 0.000 . 300 . 33 LYS HG2 H 1.389 0.000 . 301 . 33 LYS HG3 H 1.450 0.000 . 302 . 33 LYS CD C 29.312 0.000 . 303 . 33 LYS HD2 H 1.760 0.000 . 304 . 33 LYS CE C 42.038 0.000 . 305 . 33 LYS HE2 H 3.034 0.000 . 306 . 33 LYS C C 171.904 0.000 . 307 . 34 LYS N N 122.203 0.000 . 308 . 34 LYS H H 8.476 0.000 . 309 . 34 LYS CA C 58.299 0.000 . 310 . 34 LYS HA H 3.834 0.000 . 311 . 34 LYS C C 173.904 0.000 . 312 . 35 ASP N N 117.655 0.000 . 313 . 35 ASP H H 8.350 0.000 . 314 . 35 ASP CA C 56.092 0.000 . 315 . 35 ASP HA H 3.933 0.000 . 316 . 35 ASP CB C 39.395 0.000 . 317 . 35 ASP HB3 H 2.886 0.000 . 318 . 35 ASP HB2 H 2.978 0.000 . 319 . 35 ASP C C 172.648 0.000 . 320 . 36 ASP N N 117.855 0.000 . 321 . 36 ASP H H 7.247 0.000 . 322 . 36 ASP CA C 52.864 0.000 . 323 . 36 ASP HA H 4.815 0.000 . 324 . 36 ASP CB C 40.647 0.000 . 325 . 36 ASP HB2 H 2.986 0.000 . 326 . 36 ASP HB3 H 2.198 0.000 . 327 . 36 ASP C C 172.792 0.000 . 328 . 37 PHE N N 125.673 0.000 . 329 . 37 PHE H H 8.597 0.000 . 330 . 37 PHE CA C 56.153 0.000 . 331 . 37 PHE HA H 4.766 0.000 . 332 . 37 PHE CB C 37.907 0.000 . 333 . 37 PHE HB2 H 3.507 0.000 . 334 . 37 PHE HB3 H 2.665 0.000 . 335 . 37 PHE HD1 H 6.957 0.000 . 336 . 37 PHE HE1 H 6.722 0.000 . 337 . 37 PHE CD1 C 134.260 0.000 . 338 . 37 PHE HZ H 5.669 0.000 . 339 . 37 PHE CD2 C 134.260 0.000 . 340 . 37 PHE C C 175.322 0.000 . 341 . 38 SER N N 118.512 0.000 . 342 . 38 SER H H 8.572 0.000 . 343 . 38 SER CA C 61.945 0.000 . 344 . 38 SER HA H 4.150 0.000 . 345 . 38 SER CB C 62.749 0.000 . 346 . 38 SER HB2 H 4.093 0.000 . 347 . 39 ARG N N 120.732 0.000 . 348 . 39 ARG H H 8.824 0.000 . 349 . 39 ARG CA C 55.730 0.000 . 350 . 39 ARG HA H 4.530 0.000 . 351 . 39 ARG CB C 29.891 0.000 . 352 . 39 ARG HB2 H 2.692 0.000 . 353 . 39 ARG HB3 H 1.723 0.000 . 354 . 39 ARG CG C 27.080 0.000 . 355 . 39 ARG CD C 43.170 0.000 . 356 . 39 ARG C C 172.913 0.000 . 357 . 40 VAL N N 122.389 0.000 . 358 . 40 VAL H H 7.660 0.000 . 359 . 40 VAL CA C 60.006 0.000 . 360 . 40 VAL HA H 3.522 0.000 . 361 . 40 VAL CB C 32.189 0.000 . 362 . 40 VAL HB H 2.065 0.000 . 363 . 40 VAL HG1 H 0.519 0.000 . 364 . 40 VAL HG2 H 0.806 0.000 . 365 . 40 VAL CG1 C 21.511 0.000 . 366 . 40 VAL CG2 C 21.479 0.000 . 367 . 40 VAL C C 171.899 0.000 . 368 . 41 PRO CD C 51.721 0.000 . 369 . 41 PRO CA C 63.300 0.000 . 370 . 41 PRO HA H 4.356 0.000 . 371 . 41 PRO CB C 32.525 0.000 . 372 . 41 PRO HB2 H 2.551 0.000 . 373 . 41 PRO HB3 H 1.830 0.000 . 374 . 41 PRO CG C 27.822 0.000 . 375 . 41 PRO HG2 H 2.152 0.000 . 376 . 41 PRO HD2 H 2.999 0.000 . 377 . 41 PRO HD3 H 3.949 0.000 . 378 . 42 GLU N N 127.137 0.000 . 379 . 42 GLU H H 8.991 0.000 . 380 . 42 GLU CA C 60.012 0.000 . 381 . 42 GLU HA H 3.869 0.000 . 382 . 42 GLU CB C 29.603 0.000 . 383 . 42 GLU HB2 H 2.135 0.000 . 384 . 42 GLU HB3 H 2.024 0.000 . 385 . 42 GLU CG C 35.532 0.000 . 386 . 42 GLU HG2 H 2.349 0.000 . 387 . 42 GLU HG3 H 2.266 0.000 . 388 . 42 GLU C C 176.020 0.000 . 389 . 43 GLU N N 118.171 0.000 . 390 . 43 GLU H H 9.347 0.000 . 391 . 43 GLU CA C 59.194 0.000 . 392 . 43 GLU HA H 4.019 0.000 . 393 . 43 GLU CB C 28.588 0.000 . 394 . 43 GLU HB2 H 2.064 0.000 . 395 . 43 GLU HB3 H 2.029 0.000 . 396 . 43 GLU CG C 35.318 0.000 . 397 . 43 GLU HG2 H 2.364 0.000 . 398 . 43 GLU HG3 H 2.322 0.000 . 399 . 43 GLU C C 176.252 0.000 . 400 . 44 LEU N N 120.952 0.000 . 401 . 44 LEU H H 6.989 0.000 . 402 . 44 LEU CA C 57.499 0.000 . 403 . 44 LEU HA H 4.199 0.000 . 404 . 44 LEU CB C 41.761 0.000 . 405 . 44 LEU HB2 H 1.695 0.000 . 406 . 44 LEU HB3 H 1.508 0.000 . 407 . 44 LEU HG H 1.247 0.000 . 408 . 44 LEU HD1 H 0.752 0.000 . 409 . 44 LEU HD2 H 0.744 0.000 . 410 . 44 LEU CD1 C 25.939 0.000 . 411 . 44 LEU CD2 C 23.730 0.000 . 412 . 44 LEU C C 177.159 0.000 . 413 . 45 MET N N 119.255 0.000 . 414 . 45 MET H H 7.623 0.000 . 415 . 45 MET CA C 56.082 0.000 . 416 . 45 MET HA H 4.336 0.000 . 417 . 45 MET CB C 29.996 0.000 . 418 . 45 MET HB2 H 2.001 0.000 . 419 . 45 MET HB3 H 1.945 0.000 . 420 . 45 MET CG C 32.470 0.000 . 421 . 45 MET HE H 1.178 0.000 . 422 . 45 MET CE C 14.880 0.000 . 423 . 45 MET C C 177.112 0.000 . 424 . 46 LYS N N 120.849 0.000 . 425 . 46 LYS H H 8.403 0.000 . 426 . 46 LYS CA C 59.284 0.000 . 427 . 46 LYS HA H 4.052 0.000 . 428 . 46 LYS CB C 32.014 0.000 . 429 . 46 LYS CG C 24.424 0.000 . 430 . 46 LYS CD C 31.941 0.000 . 431 . 46 LYS CE C 41.981 0.000 . 432 . 46 LYS C C 176.624 0.000 . 433 . 47 GLY N N 105.249 0.000 . 434 . 47 GLY H H 7.454 0.000 . 435 . 47 GLY CA C 45.663 0.000 . 436 . 47 GLY HA2 H 4.067 0.000 . 437 . 47 GLY HA3 H 3.902 0.000 . 438 . 47 GLY C C 171.718 0.000 . 439 . 48 PHE N N 122.490 0.000 . 440 . 48 PHE H H 8.002 0.000 . 441 . 48 PHE CA C 60.490 0.000 . 442 . 48 PHE HA H 3.999 0.000 . 443 . 48 PHE CB C 41.132 0.000 . 444 . 48 PHE HB2 H 3.180 0.000 . 445 . 48 PHE HD1 H 7.024 0.000 . 446 . 48 PHE HE1 H 7.163 0.000 . 447 . 48 PHE CD1 C 132.439 0.000 . 448 . 48 PHE CE1 C 132.591 0.000 . 449 . 48 PHE HZ H 6.900 0.000 . 450 . 48 PHE CE2 C 132.591 0.000 . 451 . 48 PHE CD2 C 132.439 0.000 . 452 . 48 PHE C C 174.671 0.000 . 453 . 49 GLY N N 105.768 0.000 . 454 . 49 GLY H H 7.789 0.000 . 455 . 49 GLY CA C 43.739 0.000 . 456 . 49 GLY HA2 H 3.750 0.000 . 457 . 49 GLY HA3 H 3.970 0.000 . 458 . 49 GLY C C 169.765 0.000 . 459 . 50 GLN N N 121.534 0.000 . 460 . 50 GLN H H 8.367 0.000 . 461 . 50 GLN CA C 54.585 0.000 . 462 . 50 GLN HA H 4.497 0.000 . 463 . 50 GLN CB C 28.881 0.000 . 464 . 50 GLN HB2 H 2.011 0.000 . 465 . 50 GLN HG2 H 2.359 0.000 . 466 . 50 GLN NE2 N 112.978 0.000 . 467 . 50 GLN HE21 H 7.607 0.000 . 468 . 50 GLN HE22 H 6.959 0.000 . 469 . 51 PRO CD C 50.939 0.000 . 470 . 51 PRO CA C 62.678 0.000 . 471 . 51 PRO HA H 4.869 0.000 . 472 . 51 PRO CB C 32.681 0.000 . 473 . 51 PRO HB2 H 1.767 0.000 . 474 . 51 PRO CG C 27.410 0.000 . 475 . 51 PRO HG2 H 1.349 0.000 . 476 . 51 PRO HG3 H 1.147 0.000 . 477 . 51 PRO HD2 H 3.478 0.000 . 478 . 51 PRO HD3 H 4.078 0.000 . 479 . 52 GLN N N 123.406 0.000 . 480 . 52 GLN H H 9.022 0.000 . 481 . 52 GLN CA C 54.060 0.000 . 482 . 52 GLN HA H 4.949 0.000 . 483 . 52 GLN CB C 30.446 0.000 . 484 . 52 GLN HB2 H 2.081 0.000 . 485 . 52 GLN CG C 33.805 0.000 . 486 . 52 GLN HG2 H 2.426 0.000 . 487 . 52 GLN NE2 N 112.341 0.000 . 488 . 52 GLN HE21 H 7.522 0.000 . 489 . 52 GLN HE22 H 6.878 0.000 . 490 . 53 LEU N N 130.879 0.000 . 491 . 53 LEU H H 9.297 0.000 . 492 . 53 LEU CA C 58.455 0.000 . 493 . 53 LEU HA H 3.548 0.000 . 494 . 53 LEU CB C 41.232 0.000 . 495 . 53 LEU HB2 H 1.570 0.000 . 496 . 53 LEU HB3 H 1.800 0.000 . 497 . 53 LEU CG C 27.310 0.000 . 498 . 53 LEU HG H 1.137 0.000 . 499 . 53 LEU HD1 H 0.770 0.000 . 500 . 53 LEU HD2 H 0.550 0.000 . 501 . 53 LEU CD1 C 25.290 0.000 . 502 . 53 LEU CD2 C 24.390 0.000 . 503 . 53 LEU C C 174.532 0.000 . 504 . 54 ALA N N 131.042 0.000 . 505 . 54 ALA H H 9.511 0.000 . 506 . 54 ALA CA C 53.155 0.000 . 507 . 54 ALA HA H 4.782 0.000 . 508 . 54 ALA HB H 1.385 0.000 . 509 . 54 ALA CB C 19.861 0.000 . 510 . 54 ALA C C 169.757 0.000 . 511 . 55 MET N N 113.430 0.000 . 512 . 55 MET H H 7.755 0.000 . 513 . 55 MET CA C 55.628 0.000 . 514 . 55 MET HA H 4.560 0.000 . 515 . 55 MET CB C 35.755 0.000 . 516 . 55 MET CG C 31.114 0.000 . 517 . 55 MET C C 169.880 0.000 . 518 . 56 ILE N N 122.887 0.000 . 519 . 56 ILE H H 8.406 0.000 . 520 . 56 ILE CA C 61.143 0.000 . 521 . 56 ILE HA H 4.679 0.000 . 522 . 56 ILE CB C 38.552 0.000 . 523 . 56 ILE HB H 1.781 0.000 . 524 . 56 ILE HG2 H 0.831 0.000 . 525 . 56 ILE CG2 C 17.441 0.000 . 526 . 56 ILE CG1 C 27.669 0.000 . 527 . 56 ILE HG12 H 1.561 0.000 . 528 . 56 ILE HG13 H 1.149 0.000 . 529 . 56 ILE HD1 H 0.821 0.000 . 530 . 56 ILE CD1 C 12.974 0.000 . 531 . 56 ILE C C 172.346 0.000 . 532 . 57 LEU N N 130.022 0.000 . 533 . 57 LEU H H 8.966 0.000 . 534 . 57 LEU CA C 51.545 0.000 . 535 . 57 LEU HA H 5.126 0.000 . 536 . 57 LEU CB C 45.385 0.000 . 537 . 57 LEU HB2 H 2.004 0.000 . 538 . 57 LEU HB3 H 1.284 0.000 . 539 . 57 LEU CG C 26.699 0.000 . 540 . 57 LEU HG H 1.586 0.000 . 541 . 57 LEU HD1 H 0.949 0.000 . 542 . 57 LEU HD2 H 0.902 0.000 . 543 . 57 LEU CD1 C 24.976 0.000 . 544 . 57 LEU CD2 C 25.794 0.000 . 545 . 57 LEU C C 171.016 0.000 . 546 . 58 PRO HD2 H 4.061 0.000 . 547 . 58 PRO HD3 H 3.813 0.000 . 548 . 59 LEU N N 123.992 0.000 . 549 . 59 LEU H H 8.375 0.000 . 550 . 59 LEU CA C 53.972 0.000 . 551 . 59 LEU HA H 4.480 0.000 . 552 . 59 LEU CB C 41.305 0.000 . 553 . 59 LEU HB2 H 1.466 0.000 . 554 . 59 LEU HB3 H 1.790 0.000 . 555 . 59 LEU CG C 26.215 0.000 . 556 . 59 LEU HG H 1.136 0.000 . 557 . 59 LEU HD1 H 0.821 0.000 . 558 . 59 LEU HD2 H 0.736 0.000 . 559 . 59 LEU CD1 C 23.578 0.000 . 560 . 59 LEU CD2 C 23.138 0.000 . 561 . 59 LEU C C 173.462 0.000 . 562 . 60 ASP N N 118.816 0.000 . 563 . 60 ASP H H 7.762 0.000 . 564 . 60 ASP CA C 53.450 0.000 . 565 . 60 ASP HA H 4.583 0.000 . 566 . 60 ASP CB C 41.138 0.000 . 567 . 60 ASP HB2 H 2.624 0.000 . 568 . 60 ASP HB3 H 2.928 0.000 . 569 . 60 ASP C C 174.276 0.000 . 570 . 61 GLY N N 109.472 0.000 . 571 . 61 GLY H H 8.421 0.000 . 572 . 61 GLY CA C 45.231 0.000 . 573 . 61 GLY HA2 H 3.773 0.000 . 574 . 61 GLY HA3 H 4.150 0.000 . 575 . 61 GLY C C 171.416 0.000 . 576 . 62 ARG N N 120.506 0.000 . 577 . 62 ARG H H 8.193 0.000 . 578 . 62 ARG CA C 57.258 0.000 . 579 . 62 ARG CB C 29.737 0.000 . 580 . 62 ARG CG C 26.631 0.000 . 581 . 62 ARG CD C 42.581 0.000 . 582 . 62 ARG C C 172.904 0.000 . 583 . 64 LYS CA C 53.450 0.000 . 584 . 64 LYS HA H 4.480 0.000 . 585 . 64 LYS CB C 33.536 0.000 . 586 . 64 LYS HB2 H 1.810 0.000 . 587 . 64 LYS CG C 24.566 0.000 . 588 . 64 LYS CD C 29.024 0.000 . 589 . 64 LYS CE C 42.154 0.000 . 590 . 64 LYS HE2 H 3.034 0.000 . 591 . 65 LEU N N 124.033 0.000 . 592 . 65 LEU H H 8.452 0.000 . 593 . 65 LEU CA C 54.206 0.000 . 594 . 65 LEU HA H 4.533 0.000 . 595 . 65 LEU CB C 43.034 0.000 . 596 . 65 LEU HB2 H 1.563 0.000 . 597 . 65 LEU HB3 H 1.559 0.000 . 598 . 65 LEU CG C 27.171 0.000 . 599 . 65 LEU HD1 H 0.867 0.000 . 600 . 65 LEU HD2 H 0.937 0.000 . 601 . 65 LEU CD1 C 23.589 0.000 . 602 . 65 LEU CD2 C 25.802 0.000 . 603 . 66 VAL N N 119.477 0.000 . 604 . 66 VAL H H 8.166 0.000 . 605 . 66 VAL CA C 62.659 0.000 . 606 . 66 VAL HA H 4.063 0.000 . 607 . 66 VAL CB C 32.271 0.000 . 608 . 66 VAL HB H 2.073 0.000 . 609 . 66 VAL HG1 H 0.922 0.000 . 610 . 66 VAL HG2 H 0.916 0.000 . 611 . 66 VAL CG1 C 20.750 0.000 . 612 . 66 VAL CG2 C 20.719 0.000 . 613 . 66 VAL C C 173.927 0.000 . 614 . 67 ASN N N 120.190 0.000 . 615 . 67 ASN H H 8.640 0.000 . 616 . 67 ASN CA C 53.512 0.000 . 617 . 67 ASN HA H 4.624 0.000 . 618 . 67 ASN CB C 37.868 0.000 . 619 . 67 ASN HB2 H 2.830 0.000 . 620 . 67 ASN HB3 H 3.005 0.000 . 621 . 67 ASN C C 171.911 0.000 . 622 . 68 ALA N N 120.712 0.000 . 623 . 68 ALA H H 7.444 0.000 . 624 . 68 ALA CA C 51.514 0.000 . 625 . 68 ALA HA H 4.430 0.000 . 626 . 68 ALA HB H 1.166 0.000 . 627 . 68 ALA CB C 21.202 0.000 . 628 . 68 ALA C C 173.369 0.000 . 629 . 69 ASP N N 120.959 0.000 . 630 . 69 ASP H H 8.430 0.000 . 631 . 69 ASP CA C 52.819 0.000 . 632 . 69 ASP HA H 4.720 0.000 . 633 . 69 ASP CB C 41.564 0.000 . 634 . 69 ASP HB2 H 2.578 0.000 . 635 . 69 ASP HB3 H 2.812 0.000 . 636 . 69 ASP C C 174.113 0.000 . 637 . 70 ILE N N 126.756 0.000 . 638 . 70 ILE H H 8.617 0.000 . 639 . 70 ILE CA C 63.614 0.000 . 640 . 70 ILE HA H 3.631 0.000 . 641 . 70 ILE CB C 37.972 0.000 . 642 . 70 ILE HB H 1.912 0.000 . 643 . 70 ILE HG2 H 0.967 0.000 . 644 . 70 ILE CG2 C 17.532 0.000 . 645 . 70 ILE CG1 C 28.423 0.000 . 646 . 70 ILE HG12 H 1.346 0.000 . 647 . 70 ILE HG13 H 1.396 0.000 . 648 . 70 ILE HD1 H 0.848 0.000 . 649 . 70 ILE CD1 C 12.948 0.000 . 650 . 70 ILE C C 173.648 0.000 . 651 . 71 GLU N N 120.632 0.000 . 652 . 71 GLU H H 8.270 0.000 . 653 . 71 GLU CA C 58.981 0.000 . 654 . 71 GLU HA H 4.062 0.000 . 655 . 71 GLU CB C 28.328 0.000 . 656 . 71 GLU HB2 H 2.071 0.000 . 657 . 71 GLU CG C 36.199 0.000 . 658 . 71 GLU HG2 H 2.336 0.000 . 659 . 71 GLU C C 177.136 0.000 . 660 . 72 LYS N N 120.937 0.000 . 661 . 72 LYS H H 7.379 0.000 . 662 . 72 LYS CA C 58.427 0.000 . 663 . 72 LYS HA H 4.044 0.000 . 664 . 72 LYS CB C 31.721 0.000 . 665 . 72 LYS HB2 H 1.926 0.000 . 666 . 72 LYS HB3 H 1.860 0.000 . 667 . 72 LYS CG C 25.305 0.000 . 668 . 72 LYS HG2 H 1.815 0.000 . 669 . 72 LYS CD C 28.723 0.000 . 670 . 72 LYS HD2 H 1.889 0.000 . 671 . 72 LYS CE C 42.052 0.000 . 672 . 72 LYS HE2 H 3.080 0.000 . 673 . 72 LYS C C 176.647 0.000 . 674 . 73 VAL N N 121.288 0.000 . 675 . 73 VAL H H 7.691 0.000 . 676 . 73 VAL CA C 66.238 0.000 . 677 . 73 VAL HA H 2.679 0.000 . 678 . 73 VAL CB C 31.029 0.000 . 679 . 73 VAL HB H 1.748 0.000 . 680 . 73 VAL HG1 H 0.468 0.000 . 681 . 73 VAL CG1 C 21.420 0.000 . 682 . 73 VAL CG2 C 21.139 0.000 . 683 . 73 VAL C C 174.648 0.000 . 684 . 73 VAL HG2 H -0.084 0.000 . 685 . 74 LYS N N 118.275 0.000 . 686 . 74 LYS H H 8.324 0.000 . 687 . 74 LYS CA C 60.481 0.000 . 688 . 74 LYS HA H 3.717 0.000 . 689 . 74 LYS CB C 32.420 0.000 . 690 . 74 LYS HB2 H 1.872 0.000 . 691 . 74 LYS HB3 H 1.802 0.000 . 692 . 74 LYS CG C 26.315 0.000 . 693 . 74 LYS HG2 H 1.429 0.000 . 694 . 74 LYS HG3 H 1.664 0.000 . 695 . 74 LYS CD C 29.668 0.000 . 696 . 74 LYS HD2 H 1.679 0.000 . 697 . 74 LYS CE C 41.570 0.000 . 698 . 74 LYS HE2 H 2.896 0.000 . 699 . 74 LYS C C 176.438 0.000 . 700 . 75 GLN N N 119.240 0.000 . 701 . 75 GLN H H 7.702 0.000 . 702 . 75 GLN CA C 58.823 0.000 . 703 . 75 GLN HA H 4.003 0.000 . 704 . 75 GLN CB C 28.014 0.000 . 705 . 75 GLN HB2 H 2.097 0.000 . 706 . 75 GLN CG C 33.152 0.000 . 707 . 75 GLN HG2 H 2.340 0.000 . 708 . 75 GLN HG3 H 2.482 0.000 . 709 . 75 GLN NE2 N 112.341 0.000 . 710 . 75 GLN HE21 H 7.758 0.000 . 711 . 75 GLN HE22 H 6.780 0.000 . 712 . 75 GLN C C 174.857 0.000 . 713 . 76 ALA N N 123.005 0.000 . 714 . 76 ALA H H 7.932 0.000 . 715 . 76 ALA CA C 55.091 0.000 . 716 . 76 ALA HA H 4.274 0.000 . 717 . 76 ALA HB H 1.693 0.000 . 718 . 76 ALA CB C 18.969 0.000 . 719 . 76 ALA C C 177.926 0.000 . 720 . 77 LEU N N 119.019 0.000 . 721 . 77 LEU H H 8.664 0.000 . 722 . 77 LEU CA C 58.778 0.000 . 723 . 77 LEU HA H 3.626 0.000 . 724 . 77 LEU CB C 40.881 0.000 . 725 . 77 LEU HB2 H 1.904 0.000 . 726 . 77 LEU HB3 H 1.390 0.000 . 727 . 77 LEU CG C 27.135 0.000 . 728 . 77 LEU HG H 1.753 0.000 . 729 . 77 LEU HD1 H 0.767 0.000 . 730 . 77 LEU HD2 H 0.610 0.000 . 731 . 77 LEU CD1 C 26.010 0.000 . 732 . 77 LEU CD2 C 22.707 0.000 . 733 . 77 LEU C C 176.647 0.000 . 734 . 78 THR N N 114.104 0.000 . 735 . 78 THR H H 7.790 0.000 . 736 . 78 THR CA C 66.284 0.000 . 737 . 78 THR HA H 4.028 0.000 . 738 . 78 THR CB C 69.123 0.000 . 739 . 78 THR HB H 4.313 0.000 . 740 . 78 THR HG2 H 1.289 0.000 . 741 . 78 THR CG2 C 21.213 0.000 . 742 . 78 THR C C 173.490 0.000 . 743 . 79 GLU N N 120.690 0.000 . 744 . 79 GLU H H 8.421 0.000 . 745 . 79 GLU CA C 59.138 0.000 . 746 . 79 GLU HA H 4.221 0.000 . 747 . 79 GLU CB C 30.741 0.000 . 748 . 79 GLU HB2 H 2.091 0.000 . 749 . 79 GLU CG C 36.480 0.000 . 750 . 79 GLU HG2 H 2.509 0.000 . 751 . 79 GLU HG3 H 2.291 0.000 . 752 . 79 GLU C C 175.020 0.000 . 753 . 80 GLN N N 114.906 0.000 . 754 . 80 GLN H H 8.808 0.000 . 755 . 80 GLN CA C 55.337 0.000 . 756 . 80 GLN HA H 4.870 0.000 . 757 . 80 GLN CB C 30.505 0.000 . 758 . 80 GLN HB3 H 2.201 0.000 . 759 . 80 GLN HB2 H 2.159 0.000 . 760 . 80 GLN CG C 32.938 0.000 . 761 . 80 GLN HG2 H 2.592 0.000 . 762 . 80 GLN NE2 N 110.929 0.000 . 763 . 80 GLN HE21 H 6.931 0.000 . 764 . 80 GLN HE22 H 6.515 0.000 . 765 . 80 GLN C C 173.230 0.000 . 766 . 81 GLY N N 107.739 0.000 . 767 . 81 GLY H H 7.902 0.000 . 768 . 81 GLY CA C 45.450 0.000 . 769 . 81 GLY HA2 H 4.328 0.000 . 770 . 81 GLY HA3 H 4.114 0.000 . 771 . 81 GLY C C 170.160 0.000 . 772 . 82 TYR N N 114.689 0.000 . 773 . 82 TYR H H 7.251 0.000 . 774 . 82 TYR CA C 56.225 0.000 . 775 . 82 TYR HA H 5.655 0.000 . 776 . 82 TYR CB C 40.412 0.000 . 777 . 82 TYR HB2 H 3.274 0.000 . 778 . 82 TYR HB3 H 2.893 0.000 . 779 . 82 TYR HD2 H 6.707 0.000 . 780 . 82 TYR HE1 H 6.724 0.000 . 781 . 82 TYR CD1 C 133.202 0.000 . 782 . 82 TYR CE1 C 118.106 0.000 . 783 . 82 TYR CE2 C 118.106 0.000 . 784 . 82 TYR CD2 C 133.202 0.000 . 785 . 82 TYR C C 169.393 0.000 . 786 . 83 TYR N N 120.183 0.000 . 787 . 83 TYR H H 8.959 0.000 . 788 . 83 TYR CA C 57.469 0.000 . 789 . 83 TYR HA H 4.474 0.000 . 790 . 83 TYR CB C 42.105 0.000 . 791 . 83 TYR HB2 H 2.780 0.000 . 792 . 83 TYR HB3 H 2.568 0.000 . 793 . 83 TYR HD2 H 6.577 0.000 . 794 . 83 TYR HE1 H 6.594 0.000 . 795 . 83 TYR CD1 C 133.491 0.000 . 796 . 83 TYR CE1 C 118.141 0.000 . 797 . 83 TYR CE2 C 118.141 0.000 . 798 . 83 TYR CD2 C 133.491 0.000 . 799 . 83 TYR C C 169.858 0.000 . 800 . 84 LEU N N 132.338 0.000 . 801 . 84 LEU H H 8.306 0.000 . 802 . 84 LEU CA C 53.361 0.000 . 803 . 84 LEU HA H 5.218 0.000 . 804 . 84 LEU CB C 44.387 0.000 . 805 . 84 LEU HB2 H 1.974 0.000 . 806 . 84 LEU HB3 H 1.197 0.000 . 807 . 84 LEU CG C 27.659 0.000 . 808 . 84 LEU HG H 1.441 0.000 . 809 . 84 LEU HD1 H 1.013 0.000 . 810 . 84 LEU HD2 H 1.006 0.000 . 811 . 84 LEU CD1 C 23.698 0.000 . 812 . 84 LEU CD2 C 26.463 0.000 . 813 . 84 LEU C C 170.184 0.000 . 814 . 85 GLN N N 129.790 0.000 . 815 . 85 GLN H H 9.574 0.000 . 816 . 85 GLN CA C 54.312 0.000 . 817 . 85 GLN HA H 4.570 0.000 . 818 . 85 GLN CB C 31.678 0.000 . 819 . 85 GLN HB2 H 2.302 0.000 . 820 . 85 GLN HG2 H 2.610 0.000 . 821 . 85 GLN NE2 N 113.452 0.000 . 822 . 85 GLN HE21 H 7.951 0.000 . 823 . 85 GLN HE22 H 6.848 0.000 . 824 . 86 LEU N N 128.429 0.000 . 825 . 86 LEU H H 8.353 0.000 . 826 . 86 LEU CA C 53.014 0.000 . 827 . 86 LEU HA H 4.896 0.000 . 828 . 86 LEU CB C 41.495 0.000 . 829 . 86 LEU HB2 H 1.712 0.000 . 830 . 86 LEU CG C 28.889 0.000 . 831 . 86 LEU HG H 1.715 0.000 . 832 . 86 LEU HD1 H 0.981 0.000 . 833 . 86 LEU HD2 H 1.028 0.000 . 834 . 86 LEU CD1 C 23.259 0.000 . 835 . 86 LEU CD2 C 25.175 0.000 . 836 . 90 PRO CD C 50.817 0.000 . 837 . 90 PRO CA C 63.455 0.000 . 838 . 90 PRO HA H 4.446 0.000 . 839 . 90 PRO CB C 31.924 0.000 . 840 . 90 PRO HB2 H 2.329 0.000 . 841 . 90 PRO HB3 H 1.951 0.000 . 842 . 90 PRO CG C 27.439 0.000 . 843 . 90 PRO HG2 H 2.063 0.000 . 844 . 90 PRO HD2 H 3.740 0.000 . 845 . 90 PRO HD3 H 3.879 0.000 . 846 . 90 PRO C C 174.986 0.000 . 847 . 91 GLU N N 120.554 0.000 . 848 . 91 GLU H H 8.777 0.000 . 849 . 91 GLU CA C 57.727 0.000 . 850 . 91 GLU HA H 4.219 0.000 . 851 . 91 GLU CB C 29.688 0.000 . 852 . 91 GLU HB2 H 2.056 0.000 . 853 . 91 GLU HB3 H 2.021 0.000 . 854 . 91 GLU HG2 H 2.343 0.000 . 855 . 91 GLU C C 174.183 0.000 . 856 . 92 ASP N N 121.461 0.000 . 857 . 92 ASP H H 8.263 0.000 . 858 . 92 ASP CA C 54.576 0.000 . 859 . 92 ASP HA H 4.608 0.000 . 860 . 92 ASP CB C 40.895 0.000 . 861 . 92 ASP HB2 H 2.767 0.000 . 862 . 92 ASP HB3 H 2.686 0.000 . 863 . 92 ASP C C 174.369 0.000 . 864 . 93 LEU N N 122.919 0.000 . 865 . 93 LEU H H 8.037 0.000 . 866 . 93 LEU CA C 56.129 0.000 . 867 . 93 LEU HA H 4.263 0.000 . 868 . 93 LEU CB C 41.999 0.000 . 869 . 93 LEU HB2 H 1.705 0.000 . 870 . 93 LEU CG C 26.917 0.000 . 871 . 93 LEU HG H 1.693 0.000 . 872 . 93 LEU HD1 H 0.966 0.000 . 873 . 93 LEU HD2 H 0.905 0.000 . 874 . 93 LEU CD1 C 24.699 0.000 . 875 . 93 LEU CD2 C 23.459 0.000 . 876 . 93 LEU C C 175.508 0.000 . 877 . 94 LEU N N 120.792 0.000 . 878 . 94 LEU H H 8.063 0.000 . 879 . 94 LEU CA C 55.890 0.000 . 880 . 94 LEU HA H 4.313 0.000 . 881 . 94 LEU CB C 41.860 0.000 . 882 . 94 LEU HB2 H 1.759 0.000 . 883 . 94 LEU HB3 H 1.771 0.000 . 884 . 94 LEU CG C 26.908 0.000 . 885 . 94 LEU HG H 1.693 0.000 . 886 . 94 LEU HD1 H 0.914 0.000 . 887 . 94 LEU HD2 H 0.974 0.000 . 888 . 94 LEU CD1 C 24.821 0.000 . 889 . 94 LEU CD2 C 23.397 0.000 . 890 . 94 LEU C C 175.299 0.000 . 891 . 95 LYS N N 120.392 0.000 . 892 . 95 LYS H H 7.916 0.000 . 893 . 95 LYS CA C 57.067 0.000 . 894 . 95 LYS HA H 4.235 0.000 . 895 . 95 LYS CB C 32.536 0.000 . 896 . 95 LYS HB2 H 1.734 0.000 . 897 . 95 LYS HB3 H 1.853 0.000 . 898 . 95 LYS CG C 24.821 0.000 . 899 . 95 LYS HG2 H 1.470 0.000 . 900 . 95 LYS CD C 32.582 0.000 . 901 . 95 LYS HD2 H 1.499 0.000 . 902 . 95 LYS CE C 42.052 0.000 . 903 . 95 LYS HE2 H 3.052 0.000 . 904 . 95 LYS C C 174.392 0.000 . 905 . 96 GLN N N 120.254 0.000 . 906 . 96 GLN H H 8.149 0.000 . 907 . 96 GLN CA C 56.299 0.000 . 908 . 96 GLN HA H 4.279 0.000 . 909 . 96 GLN CB C 29.131 0.000 . 910 . 96 GLN HB2 H 2.087 0.000 . 911 . 96 GLN HB3 H 2.037 0.000 . 912 . 96 GLN HG2 H 2.373 0.000 . 913 . 96 GLN C C 173.741 0.000 . 914 . 97 HIS CA C 56.356 0.000 . 915 . 97 HIS CB C 30.086 0.000 . 916 . 97 HIS CD2 C 120.412 0.000 . 917 . 97 HIS C C 172.672 0.000 . 918 . 98 LEU N N 122.930 0.000 . 919 . 98 LEU H H 8.136 0.000 . 920 . 98 LEU CA C 55.337 0.000 . 921 . 98 LEU HA H 4.367 0.000 . 922 . 98 LEU CB C 42.053 0.000 . 923 . 98 LEU HB2 H 1.705 0.000 . 924 . 98 LEU HB3 H 1.602 0.000 . 925 . 98 LEU CG C 28.993 0.000 . 926 . 98 LEU HG H 1.482 0.000 . 927 . 98 LEU HD1 H 0.945 0.000 . 928 . 98 LEU HD2 H 0.891 0.000 . 929 . 98 LEU CD1 C 23.244 0.000 . 930 . 98 LEU CD2 C 24.959 0.000 . 931 . 98 LEU C C 174.842 0.000 . 932 . 99 SER N N 116.990 0.000 . 933 . 99 SER H H 8.281 0.000 . 934 . 99 SER CA C 58.430 0.000 . 935 . 99 SER HA H 4.508 0.000 . 936 . 99 SER CB C 63.599 0.000 . 937 . 99 SER HB2 H 3.942 0.000 . 938 . 99 SER C C 172.183 0.000 . 939 . 100 VAL N N 121.695 0.000 . 940 . 100 VAL H H 8.087 0.000 . 941 . 100 VAL CA C 62.457 0.000 . 942 . 100 VAL HA H 4.203 0.000 . 943 . 100 VAL CB C 32.375 0.000 . 944 . 100 VAL HB H 2.182 0.000 . 945 . 100 VAL CG1 C 21.057 0.000 . 946 . 100 VAL CG2 C 20.351 0.000 . 947 . 100 VAL HG1 H 0.993 0.000 . 948 . 100 VAL C C 173.997 0.000 . 949 . 101 MET N N 121.906 0.000 . 950 . 101 MET H H 9.320 0.000 . 951 . 101 MET CA C 53.879 0.000 . 952 . 101 MET HA H 4.537 0.000 . 953 . 101 MET CB C 30.515 0.000 . 954 . 101 MET HB2 H 2.130 0.000 . 955 . 101 MET CG C 31.963 0.000 . 956 . 101 MET HG2 H 2.418 0.000 . 957 . 101 MET C C 174.090 0.000 . 958 . 102 GLY N N 110.483 0.000 . 959 . 102 GLY H H 8.376 0.000 . 960 . 102 GLY CA C 45.221 0.000 . 961 . 102 GLY HA2 H 4.000 0.000 . 962 . 102 GLY C C 171.269 0.000 . 963 . 103 GLN N N 120.379 0.000 . 964 . 103 GLN H H 8.187 0.000 . 965 . 103 GLN CA C 55.738 0.000 . 966 . 103 GLN HA H 4.396 0.000 . 967 . 103 GLN CB C 29.497 0.000 . 968 . 103 GLN HB2 H 2.146 0.000 . 969 . 103 GLN HB3 H 2.029 0.000 . 970 . 103 GLN HG2 H 2.397 0.000 . 971 . 103 GLN C C 173.671 0.000 . 972 . 104 LYS CA C 56.113 0.000 . 973 . 104 LYS CB C 32.886 0.000 . 974 . 104 LYS CG C 25.548 0.000 . 975 . 104 LYS CD C 31.079 0.000 . 976 . 105 THR N N 116.356 0.000 . 977 . 105 THR H H 8.300 0.000 . 978 . 105 THR CA C 61.490 0.000 . 979 . 105 THR HA H 4.414 0.000 . 980 . 105 THR CB C 69.667 0.000 . 981 . 105 THR HB H 4.287 0.000 . 982 . 105 THR HG2 H 1.223 0.000 . 983 . 105 THR CG2 C 21.429 0.000 . 984 . 105 THR C C 61.784 0.000 . 985 . 106 ASP N N 123.192 0.000 . 986 . 106 ASP H H 8.418 0.000 . 987 . 106 ASP CA C 54.050 0.000 . 988 . 106 ASP HA H 4.700 0.000 . 989 . 106 ASP CB C 41.128 0.000 . 990 . 106 ASP HB2 H 2.774 0.000 . 991 . 106 ASP HB3 H 2.705 0.000 . 992 . 107 ASP N N 121.826 0.000 . 993 . 107 ASP H H 8.378 0.000 . 994 . 107 ASP CA C 54.300 0.000 . 995 . 107 ASP HA H 4.704 0.000 . 996 . 107 ASP CB C 41.300 0.000 . 997 . 107 ASP HB2 H 2.769 0.000 . 998 . 107 ASP HB3 H 2.692 0.000 . 999 . 107 ASP C C 173.997 0.000 . 1000 . 108 THR N N 114.133 0.000 . 1001 . 108 THR H H 8.208 0.000 . 1002 . 108 THR CA C 62.380 0.000 . 1003 . 108 THR HA H 4.038 0.000 . 1004 . 108 THR CB C 69.441 0.000 . 1005 . 108 THR HB H 4.290 0.000 . 1006 . 108 THR HG2 H 1.306 0.000 . 1007 . 108 THR CG2 C 21.419 0.000 . 1008 . 108 THR C C 172.013 0.000 . 1009 . 109 ASN N N 121.932 0.000 . 1010 . 109 ASN H H 8.426 0.000 . 1011 . 109 ASN CA C 53.446 0.000 . 1012 . 109 ASN HA H 4.784 0.000 . 1013 . 109 ASN CB C 38.719 0.000 . 1014 . 109 ASN HB2 H 2.902 0.000 . 1015 . 109 ASN HB3 H 2.892 0.000 . 1016 . 109 ASN C C 171.354 0.000 . 1017 . 110 LYS N N 127.261 0.000 . 1018 . 110 LYS H H 7.810 0.000 . 1019 . 110 LYS CA C 57.860 0.000 . 1020 . 110 LYS HA H 4.142 0.000 . 1021 . 110 LYS CB C 33.660 0.000 . 1022 . 110 LYS HB2 H 1.874 0.000 . 1023 . 110 LYS HB3 H 1.759 0.000 . 1024 . 110 LYS HG2 H 1.428 0.000 . 1025 . 110 LYS HE2 H 3.055 0.000 . stop_ save_