data_6122 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H/13C/15N assignment of the S1 domain of RNase E of E. coli ; _BMRB_accession_number 6122 _BMRB_flat_file_name bmr6122.str _Entry_type original _Submission_date 2004-02-27 _Accession_date 2004-03-02 _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 Schubert Mario . . 2 Edge Robert E. . 3 Lario Paula . . 4 Cook Michael A. . 5 Strynadka Natalie C. . 6 Mackie George A. . 7 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 534 "13C chemical shifts" 389 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-01 original author . stop_ _Original_release_date 2004-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Characterization of the RNase E S1 domain and identification of its Oligonucleotide-binding and Dimerization Interfaces' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schubert Mario . . 2 Edge Robert E. . 3 Lario Paula . . 4 Cook Michael A. . 5 Strynadka Natalie C. . 6 Mackie George A. . 7 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 341 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 37 _Page_last 54 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'S1 monomer' _Abbreviation_common 'S1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'S1 Rnase E' $S1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'RNase E plays a crucial role in mRNA degradation in E.coli' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'S1 Rnase E' _Name_variant 'S1 Rnase E' _Abbreviation_common 'S1 Rnase E' _Molecular_mass 10687 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSHMLEQKKANIYKGKITRI EPSLEAAFVDYGAERHGFLP LKEIAREYFPANYSAHGRPN IKDVLREGQEVIVQIDKEER GNKGAALTTFISLAGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 1 LEU 6 2 GLU 7 3 GLN 8 4 LYS 9 5 LYS 10 6 ALA 11 7 ASN 12 8 ILE 13 9 TYR 14 10 LYS 15 11 GLY 16 12 LYS 17 13 ILE 18 14 THR 19 15 ARG 20 16 ILE 21 17 GLU 22 18 PRO 23 19 SER 24 20 LEU 25 21 GLU 26 22 ALA 27 23 ALA 28 24 PHE 29 25 VAL 30 26 ASP 31 27 TYR 32 28 GLY 33 29 ALA 34 30 GLU 35 31 ARG 36 32 HIS 37 33 GLY 38 34 PHE 39 35 LEU 40 36 PRO 41 37 LEU 42 38 LYS 43 39 GLU 44 40 ILE 45 41 ALA 46 42 ARG 47 43 GLU 48 44 TYR 49 45 PHE 50 46 PRO 51 47 ALA 52 48 ASN 53 49 TYR 54 50 SER 55 51 ALA 56 52 HIS 57 53 GLY 58 54 ARG 59 55 PRO 60 56 ASN 61 57 ILE 62 58 LYS 63 59 ASP 64 60 VAL 65 61 LEU 66 62 ARG 67 63 GLU 68 64 GLY 69 65 GLN 70 66 GLU 71 67 VAL 72 68 ILE 73 69 VAL 74 70 GLN 75 71 ILE 76 72 ASP 77 73 LYS 78 74 GLU 79 75 GLU 80 76 ARG 81 77 GLY 82 78 ASN 83 79 LYS 84 80 GLY 85 81 ALA 86 82 ALA 87 83 LEU 88 84 THR 89 85 THR 90 86 PHE 91 87 ILE 92 88 SER 93 89 LEU 94 90 ALA 95 91 GLY 96 92 SER 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 1SLJ "Solution Structure Of The S1 Domain Of Rnase E From E. Coli" 100.00 96 100.00 100.00 1.61e-62 PDB 1SMX "Crystal Structure Of The S1 Domain Of Rnase E From E. Coli (Native)" 100.00 96 100.00 100.00 1.61e-62 PDB 1SN8 "Crystal Structure Of The S1 Domain Of Rnase E From E. Coli (Pb Derivative)" 100.00 96 100.00 100.00 1.61e-62 PDB 2BX2 "Catalytic Domain Of E. Coli Rnase E" 94.79 517 100.00 100.00 2.18e-54 PDB 2C0B "Catalytic Domain Of E. Coli Rnase E In Complex With 13-Mer Rna" 94.79 517 100.00 100.00 2.18e-54 PDB 2C4R "Catalytic Domain Of E. Coli Rnase E" 94.79 517 100.00 100.00 2.18e-54 PDB 2VMK "Crystal Structure Of E. Coli Rnase E Apoprotein - Catalytic Domain" 94.79 515 100.00 100.00 1.84e-54 PDB 2VRT "Crystal Structure Of E. Coli Rnase E Possessing M1 Rna Fragments - Catalytic Domain" 94.79 509 100.00 100.00 1.72e-54 DBJ BAA35893 "fused ribonucleaseE endoribonuclease and scaffold for formation of degradosome [Escherichia coli str. K-12 substr. W3110]" 94.79 1061 100.00 100.00 1.01e-53 DBJ BAB34885 "RNase E [Escherichia coli O157:H7 str. Sakai]" 94.79 1061 100.00 100.00 1.01e-53 DBJ BAG76671 "ribonuclease E [Escherichia coli SE11]" 94.79 1061 100.00 100.00 9.36e-54 DBJ BAH62786 "RNase E [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 94.79 1077 98.90 100.00 3.48e-53 DBJ BAI24718 "fused ribonucleaseE: endoribonuclease/RNA-binding protein/RNA degradosome binding protein [Escherichia coli O26:H11 str. 11368]" 94.79 1061 100.00 100.00 1.01e-53 EMBL CAA38206 "unnamed protein product [Escherichia coli K-12]" 94.79 341 100.00 100.00 9.45e-56 EMBL CAA47818 "ams [Escherichia coli K-12]" 94.79 1025 100.00 100.00 7.05e-54 EMBL CAD08310 "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 94.79 1067 100.00 100.00 1.09e-53 EMBL CAP75576 "ribonuclease E [Escherichia coli LF82]" 94.79 1061 100.00 100.00 9.18e-54 EMBL CAQ31605 "RNase E, subunit of ribonuclease E and degradosome [Escherichia coli BL21(DE3)]" 94.79 1061 100.00 100.00 9.93e-54 GB AAA23443 "RNase E [Escherichia coli]" 94.79 815 100.00 100.00 4.74e-54 GB AAB27352 "Ams=cell shape determining protein homolog {N-terminal} [Escherichia coli, Peptide, 489 aa]" 94.79 489 100.00 100.00 1.12e-54 GB AAC74168 "endoribonuclease; RNA-binding protein;RNA degradosome binding protein [Escherichia coli str. K-12 substr. MG1655]" 94.79 1061 100.00 100.00 1.01e-53 GB AAG55830 "RNase E, membrane attachment, mRNA turnover, maturation 5S RNA [Escherichia coli O157:H7 str. EDL933]" 94.79 1061 100.00 100.00 1.01e-53 GB AAL20115 "RNase E [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 94.79 1067 100.00 100.00 1.11e-53 PIR AC0641 "ribonuclease E (EC 3.1.4.-) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 94.79 1067 100.00 100.00 1.09e-53 REF NP_287218 "ribonuclease E [Escherichia coli O157:H7 str. EDL933]" 94.79 1061 100.00 100.00 1.01e-53 REF NP_309489 "ribonuclease E [Escherichia coli O157:H7 str. Sakai]" 94.79 1061 100.00 100.00 1.01e-53 REF NP_415602 "endoribonuclease; RNA-binding protein;RNA degradosome binding protein [Escherichia coli str. K-12 substr. MG1655]" 94.79 1061 100.00 100.00 1.01e-53 REF NP_455679 "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 94.79 1067 100.00 100.00 1.09e-53 REF NP_460156 "ribonuclease E [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 94.79 1067 100.00 100.00 1.11e-53 SP P21513 "RecName: Full=Ribonuclease E; Short=RNase E [Escherichia coli K-12]" 94.79 1061 100.00 100.00 1.01e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S1 'E. 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 $S1 '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 $S1 1.5 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_H(CCO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label $sample_1 save_ save_C(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_HACAN_6 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _Sample_label $sample_1 save_ save_CBHD_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBHD _Sample_label $sample_1 save_ save_CBHE_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBHE _Sample_label $sample_1 save_ save_EZ-HMQC-NH2_9 _Saveframe_category NMR_applied_experiment _Experiment_name EZ-HMQC-NH2 _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 303 . 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 H 1 'methyl protons' ppm 0.00 external direct . . . 1.00000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 external direct . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.00 external direct . . . 0.251449530 $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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'S1 Rnase E' _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 5 LEU CA C 55.890 0.111 1 2 1 5 LEU CB C 42.576 0.029 1 3 1 5 LEU CD1 C 25.169 0.076 1 4 1 5 LEU CD2 C 23.896 0.139 1 5 1 5 LEU CG C 27.416 0.029 1 6 1 5 LEU HA H 4.364 0.003 1 7 1 5 LEU HB2 H 1.676 0.005 1 8 1 5 LEU HB3 H 1.676 0.005 1 9 1 5 LEU HD1 H 0.973 0.002 1 10 1 5 LEU HD2 H 0.918 0.003 1 11 1 5 LEU HG H 1.662 0.002 1 12 1 5 LEU H H 8.317 0.002 1 13 1 5 LEU N N 122.989 0.026 1 14 2 6 GLU CA C 57.034 0.016 1 15 2 6 GLU CB C 30.551 0.038 1 16 2 6 GLU CG C 36.645 0.023 1 17 2 6 GLU HA H 4.296 0.006 1 18 2 6 GLU HB2 H 2.083 0.004 2 19 2 6 GLU HB3 H 2.013 0.003 2 20 2 6 GLU HG2 H 2.304 0.005 1 21 2 6 GLU HG3 H 2.304 0.005 1 22 2 6 GLU H H 8.374 0.002 1 23 2 6 GLU N N 121.542 0.025 1 24 3 7 GLN CA C 56.381 0.125 1 25 3 7 GLN CB C 29.742 0.026 1 26 3 7 GLN CG C 34.184 0.024 1 27 3 7 GLN HA H 4.358 0.002 1 28 3 7 GLN HB2 H 2.146 0.006 2 29 3 7 GLN HB3 H 2.035 0.002 2 30 3 7 GLN HE21 H 7.553 0.005 1 31 3 7 GLN HE22 H 6.896 0.002 1 32 3 7 GLN HG2 H 2.404 0.004 1 33 3 7 GLN HG3 H 2.404 0.004 1 34 3 7 GLN H H 8.360 0.007 1 35 3 7 GLN N N 121.562 0.018 1 36 3 7 GLN NE2 N 112.351 0.010 1 37 4 8 LYS CA C 56.544 0.076 1 38 4 8 LYS CB C 33.306 0.000 1 39 4 8 LYS CD C 29.555 0.000 1 40 4 8 LYS CE C 42.504 0.000 1 41 4 8 LYS CG C 25.139 0.000 1 42 4 8 LYS HA H 4.353 0.002 1 43 4 8 LYS HE2 H 3.056 0.000 1 44 4 8 LYS HE3 H 3.056 0.000 1 45 4 8 LYS HG2 H 1.487 0.000 1 46 4 8 LYS HG3 H 1.487 0.000 1 47 4 8 LYS H H 8.345 0.003 1 48 4 8 LYS N N 122.547 0.064 1 49 5 9 LYS C C 176.151 0.000 1 50 5 9 LYS CA C 56.704 0.049 1 51 5 9 LYS CB C 33.356 0.073 1 52 5 9 LYS CD C 29.445 0.053 1 53 5 9 LYS CE C 42.523 0.014 1 54 5 9 LYS CG C 25.126 0.034 1 55 5 9 LYS HA H 4.342 0.002 1 56 5 9 LYS HB2 H 1.887 0.001 2 57 5 9 LYS HB3 H 1.819 0.002 2 58 5 9 LYS HD2 H 1.733 0.003 1 59 5 9 LYS HD3 H 1.733 0.003 1 60 5 9 LYS HE2 H 3.054 0.002 1 61 5 9 LYS HE3 H 3.054 0.002 1 62 5 9 LYS HG2 H 1.487 0.005 1 63 5 9 LYS HG3 H 1.487 0.005 1 64 5 9 LYS H H 8.346 0.003 1 65 5 9 LYS N N 122.446 0.039 1 66 6 10 ALA C C 177.035 0.000 1 67 6 10 ALA CA C 52.616 0.042 1 68 6 10 ALA CB C 19.803 0.062 1 69 6 10 ALA HA H 4.372 0.005 1 70 6 10 ALA HB H 1.417 0.009 1 71 6 10 ALA H H 8.291 0.003 1 72 6 10 ALA N N 124.617 0.034 1 73 7 11 ASN C C 173.411 0.000 1 74 7 11 ASN CA C 53.495 0.033 1 75 7 11 ASN CB C 39.137 0.048 1 76 7 11 ASN CG C 177.166 0.009 1 77 7 11 ASN HA H 4.633 0.002 1 78 7 11 ASN HB2 H 2.708 0.004 2 79 7 11 ASN HB3 H 2.835 0.008 2 80 7 11 ASN HD21 H 7.499 0.002 1 81 7 11 ASN HD22 H 7.052 0.004 1 82 7 11 ASN H H 8.295 0.003 1 83 7 11 ASN N N 118.013 0.030 1 84 7 11 ASN ND2 N 112.147 0.021 1 85 8 12 ILE C C 174.817 0.000 1 86 8 12 ILE CA C 60.398 0.105 1 87 8 12 ILE CB C 40.685 0.039 1 88 8 12 ILE CD1 C 14.496 0.058 1 89 8 12 ILE CG1 C 27.739 0.053 1 90 8 12 ILE CG2 C 18.557 0.034 1 91 8 12 ILE HA H 4.723 0.005 1 92 8 12 ILE HB H 1.545 0.004 1 93 8 12 ILE HD1 H 0.809 0.003 1 94 8 12 ILE HG12 H 0.885 0.001 2 95 8 12 ILE HG13 H 1.497 0.000 2 96 8 12 ILE HG2 H 0.778 0.001 1 97 8 12 ILE H H 7.379 0.005 1 98 8 12 ILE N N 118.280 0.043 1 99 9 13 TYR C C 174.549 0.000 1 100 9 13 TYR CA C 56.986 0.045 1 101 9 13 TYR CB C 43.272 0.037 1 102 9 13 TYR CD1 C 133.848 0.055 3 103 9 13 TYR CE1 C 118.320 0.073 3 104 9 13 TYR HA H 4.909 0.007 1 105 9 13 TYR HB2 H 2.434 0.006 1 106 9 13 TYR HB3 H 3.302 0.011 1 107 9 13 TYR HD1 H 7.091 0.007 3 108 9 13 TYR HE1 H 6.872 0.004 3 109 9 13 TYR H H 9.224 0.006 1 110 9 13 TYR N N 122.912 0.046 1 111 10 14 LYS C C 176.174 0.000 1 112 10 14 LYS CA C 56.340 0.093 1 113 10 14 LYS CB C 32.950 0.036 1 114 10 14 LYS CD C 29.642 0.030 1 115 10 14 LYS CE C 42.212 0.001 1 116 10 14 LYS CG C 25.512 0.013 1 117 10 14 LYS HA H 4.849 0.001 1 118 10 14 LYS HB2 H 1.888 0.002 2 119 10 14 LYS HB3 H 1.734 0.001 2 120 10 14 LYS HD2 H 1.728 0.000 1 121 10 14 LYS HD3 H 1.728 0.000 1 122 10 14 LYS HE2 H 2.978 0.003 1 123 10 14 LYS HE3 H 2.978 0.003 1 124 10 14 LYS HG2 H 1.472 0.003 2 125 10 14 LYS HG3 H 1.381 0.005 2 126 10 14 LYS H H 8.742 0.004 1 127 10 14 LYS N N 122.029 0.031 1 128 11 15 GLY C C 171.618 0.000 1 129 11 15 GLY CA C 44.449 0.046 1 130 11 15 GLY HA2 H 3.161 0.005 2 131 11 15 GLY HA3 H 5.012 0.007 2 132 11 15 GLY H H 9.052 0.005 1 133 11 15 GLY N N 111.639 0.041 1 134 12 16 LYS C C 176.163 0.000 1 135 12 16 LYS CA C 54.286 0.038 1 136 12 16 LYS CB C 36.386 0.042 1 137 12 16 LYS CD C 29.627 0.047 1 138 12 16 LYS CE C 42.407 0.082 1 139 12 16 LYS CG C 25.104 0.023 1 140 12 16 LYS HA H 5.257 0.005 1 141 12 16 LYS HB2 H 1.663 0.003 1 142 12 16 LYS HB3 H 1.663 0.003 1 143 12 16 LYS HD2 H 1.714 0.002 1 144 12 16 LYS HD3 H 1.714 0.002 1 145 12 16 LYS HE2 H 3.018 0.004 1 146 12 16 LYS HE3 H 3.018 0.004 1 147 12 16 LYS HG2 H 1.372 0.004 2 148 12 16 LYS HG3 H 1.312 0.011 2 149 12 16 LYS H H 8.107 0.006 1 150 12 16 LYS N N 118.708 0.038 1 151 13 17 ILE C C 177.491 0.000 1 152 13 17 ILE CA C 60.624 0.049 1 153 13 17 ILE CB C 36.128 0.048 1 154 13 17 ILE CD1 C 12.432 0.044 1 155 13 17 ILE CG1 C 27.560 0.077 1 156 13 17 ILE CG2 C 18.695 0.117 1 157 13 17 ILE HA H 4.292 0.005 1 158 13 17 ILE HB H 2.391 0.004 1 159 13 17 ILE HD1 H 0.537 0.003 1 160 13 17 ILE HG12 H 1.532 0.004 2 161 13 17 ILE HG13 H 1.335 0.005 2 162 13 17 ILE HG2 H 0.776 0.004 1 163 13 17 ILE H H 8.817 0.004 1 164 13 17 ILE N N 123.482 0.036 1 165 14 18 THR C C 174.870 0.000 1 166 14 18 THR CA C 62.369 0.036 1 167 14 18 THR CB C 69.034 0.044 1 168 14 18 THR CG2 C 23.890 0.022 1 169 14 18 THR HA H 4.520 0.003 1 170 14 18 THR HB H 4.218 0.001 1 171 14 18 THR HG2 H 1.021 0.009 1 172 14 18 THR H H 9.219 0.005 1 173 14 18 THR N N 123.254 0.044 1 174 15 19 ARG C C 173.919 0.000 1 175 15 19 ARG CA C 55.996 0.022 1 176 15 19 ARG CB C 34.001 0.046 1 177 15 19 ARG CD C 43.727 0.044 1 178 15 19 ARG CG C 27.819 0.055 1 179 15 19 ARG HA H 4.747 0.004 1 180 15 19 ARG HB2 H 2.003 0.003 2 181 15 19 ARG HB3 H 1.882 0.004 2 182 15 19 ARG HD2 H 3.247 0.006 2 183 15 19 ARG HD3 H 3.069 0.002 2 184 15 19 ARG HE H 7.378 0.002 1 185 15 19 ARG HG2 H 1.665 0.010 2 186 15 19 ARG HG3 H 1.586 0.005 2 187 15 19 ARG H H 7.401 0.002 1 188 15 19 ARG N N 119.817 0.049 1 189 16 20 ILE C C 174.487 0.000 1 190 16 20 ILE CA C 61.492 0.048 1 191 16 20 ILE CB C 39.534 0.046 1 192 16 20 ILE CD1 C 14.304 0.035 1 193 16 20 ILE CG1 C 28.752 0.057 1 194 16 20 ILE CG2 C 19.615 0.034 1 195 16 20 ILE HA H 4.273 0.003 1 196 16 20 ILE HB H 1.823 0.004 1 197 16 20 ILE HD1 H 0.691 0.005 1 198 16 20 ILE HG12 H 1.456 0.006 2 199 16 20 ILE HG13 H 0.822 0.003 2 200 16 20 ILE HG2 H 0.712 0.006 1 201 16 20 ILE H H 9.369 0.004 1 202 16 20 ILE N N 126.355 0.045 1 203 17 21 GLU CA C 52.245 0.021 1 204 17 21 GLU CB C 31.433 0.033 1 205 17 21 GLU CG C 35.775 0.016 1 206 17 21 GLU HA H 5.340 0.002 1 207 17 21 GLU HB2 H 2.205 0.004 2 208 17 21 GLU HB3 H 1.873 0.003 2 209 17 21 GLU HG2 H 2.351 0.002 1 210 17 21 GLU HG3 H 2.351 0.002 1 211 17 21 GLU H H 8.831 0.006 1 212 17 21 GLU N N 127.473 0.035 1 213 18 22 PRO CA C 65.759 0.033 1 214 18 22 PRO CB C 32.573 0.047 1 215 18 22 PRO CD C 51.703 0.029 1 216 18 22 PRO CG C 28.296 0.048 1 217 18 22 PRO HA H 4.202 0.005 1 218 18 22 PRO HB2 H 2.553 0.005 2 219 18 22 PRO HB3 H 2.194 0.004 2 220 18 22 PRO HD2 H 3.900 0.004 2 221 18 22 PRO HD3 H 4.106 0.003 2 222 18 22 PRO HG2 H 2.341 0.003 2 223 18 22 PRO HG3 H 1.888 0.004 2 224 18 22 PRO N N 138.810 0.002 1 225 19 23 SER C C 175.271 0.000 1 226 19 23 SER CA C 61.745 0.110 1 227 19 23 SER CB C 62.752 0.054 1 228 19 23 SER HA H 4.371 0.005 1 229 19 23 SER HB2 H 4.052 0.002 1 230 19 23 SER HB3 H 4.052 0.002 1 231 19 23 SER N N 113.466 0.026 1 232 20 24 LEU C C 175.710 0.000 1 233 20 24 LEU CA C 54.015 0.066 1 234 20 24 LEU CB C 43.959 0.032 1 235 20 24 LEU CD1 C 25.847 0.060 1 236 20 24 LEU CD2 C 22.581 0.040 1 237 20 24 LEU CG C 26.959 0.032 1 238 20 24 LEU HA H 4.651 0.004 1 239 20 24 LEU HB2 H 1.712 0.003 1 240 20 24 LEU HB3 H 1.857 0.005 1 241 20 24 LEU HD1 H 1.111 0.004 1 242 20 24 LEU HD2 H 0.974 0.003 1 243 20 24 LEU HG H 1.763 0.001 1 244 20 24 LEU H H 7.304 0.005 1 245 20 24 LEU N N 119.485 0.046 1 246 21 25 GLU C C 174.275 0.000 1 247 21 25 GLU CA C 57.259 0.037 1 248 21 25 GLU CB C 28.413 0.053 1 249 21 25 GLU CG C 36.964 0.031 1 250 21 25 GLU HA H 3.791 0.003 1 251 21 25 GLU HB2 H 2.324 0.003 1 252 21 25 GLU HB3 H 2.216 0.002 1 253 21 25 GLU HG2 H 2.322 0.001 1 254 21 25 GLU HG3 H 2.322 0.001 1 255 21 25 GLU H H 7.979 0.005 1 256 21 25 GLU N N 116.181 0.031 1 257 22 26 ALA C C 173.713 0.000 1 258 22 26 ALA CA C 51.511 0.044 1 259 22 26 ALA CB C 25.542 0.016 1 260 22 26 ALA HA H 4.646 0.005 1 261 22 26 ALA HB H 0.573 0.004 1 262 22 26 ALA H H 7.326 0.006 1 263 22 26 ALA N N 117.019 0.031 1 264 23 27 ALA C C 174.371 0.000 1 265 23 27 ALA CA C 49.131 0.057 1 266 23 27 ALA CB C 23.461 0.039 1 267 23 27 ALA HA H 5.003 0.003 1 268 23 27 ALA HB H 1.155 0.003 1 269 23 27 ALA H H 8.171 0.004 1 270 23 27 ALA N N 120.489 0.047 1 271 24 28 PHE C C 176.554 0.000 1 272 24 28 PHE CA C 57.057 0.027 1 273 24 28 PHE CB C 41.328 0.036 1 274 24 28 PHE CD1 C 131.493 0.079 3 275 24 28 PHE CE1 C 131.421 0.050 3 276 24 28 PHE HA H 5.605 0.008 1 277 24 28 PHE HB2 H 2.936 0.007 1 278 24 28 PHE HB3 H 2.996 0.008 1 279 24 28 PHE HD1 H 7.118 0.005 3 280 24 28 PHE HE1 H 7.346 0.011 3 281 24 28 PHE H H 8.984 0.005 1 282 24 28 PHE N N 118.598 0.039 1 283 25 29 VAL C C 175.272 0.000 1 284 25 29 VAL CA C 60.747 0.036 1 285 25 29 VAL CB C 36.394 0.027 1 286 25 29 VAL CG1 C 21.557 0.041 1 287 25 29 VAL CG2 C 22.668 0.049 1 288 25 29 VAL HA H 4.655 0.002 1 289 25 29 VAL HB H 1.686 0.004 1 290 25 29 VAL HG1 H 0.565 0.005 1 291 25 29 VAL HG2 H 0.578 0.004 1 292 25 29 VAL H H 8.994 0.005 1 293 25 29 VAL N N 120.685 0.046 1 294 26 30 ASP C C 176.317 0.000 1 295 26 30 ASP CA C 52.990 0.046 1 296 26 30 ASP CB C 41.152 0.060 1 297 26 30 ASP HA H 5.078 0.005 1 298 26 30 ASP HB2 H 2.136 0.007 2 299 26 30 ASP HB3 H 2.773 0.005 2 300 26 30 ASP H H 8.979 0.005 1 301 26 30 ASP N N 127.234 0.040 1 302 27 31 TYR C C 174.441 0.000 1 303 27 31 TYR CA C 55.545 0.092 1 304 27 31 TYR CB C 38.251 0.066 1 305 27 31 TYR CD1 C 134.173 0.022 3 306 27 31 TYR CE1 C 116.960 0.048 3 307 27 31 TYR HA H 5.273 0.004 1 308 27 31 TYR HB2 H 3.131 0.008 2 309 27 31 TYR HB3 H 2.167 0.003 2 310 27 31 TYR HD1 H 6.570 0.006 3 311 27 31 TYR HE1 H 6.380 0.003 3 312 27 31 TYR H H 9.021 0.005 1 313 27 31 TYR N N 126.018 0.028 1 314 28 32 GLY C C 173.998 0.000 1 315 28 32 GLY CA C 45.597 0.045 1 316 28 32 GLY HA2 H 3.686 0.004 2 317 28 32 GLY HA3 H 4.207 0.004 2 318 28 32 GLY H H 8.248 0.005 1 319 28 32 GLY N N 109.736 0.024 1 320 29 33 ALA C C 177.160 0.000 1 321 29 33 ALA CA C 50.546 0.071 1 322 29 33 ALA CB C 20.483 0.037 1 323 29 33 ALA HA H 4.480 0.006 1 324 29 33 ALA HB H 1.106 0.006 1 325 29 33 ALA H H 6.807 0.006 1 326 29 33 ALA N N 122.818 0.034 1 327 30 34 GLU C C 176.693 0.000 1 328 30 34 GLU CA C 59.510 0.046 1 329 30 34 GLU CB C 29.973 0.036 1 330 30 34 GLU CG C 36.829 0.033 1 331 30 34 GLU HA H 3.932 0.005 1 332 30 34 GLU HB2 H 2.038 0.003 1 333 30 34 GLU HB3 H 2.038 0.003 1 334 30 34 GLU HG2 H 2.317 0.006 2 335 30 34 GLU HG3 H 2.238 0.016 2 336 30 34 GLU H H 8.704 0.006 1 337 30 34 GLU N N 120.453 0.032 1 338 31 35 ARG C C 177.330 0.000 1 339 31 35 ARG CA C 54.154 0.055 1 340 31 35 ARG CB C 32.407 0.037 1 341 31 35 ARG CD C 43.395 0.010 1 342 31 35 ARG CG C 27.490 0.025 1 343 31 35 ARG HA H 4.534 0.005 1 344 31 35 ARG HB2 H 1.618 0.005 2 345 31 35 ARG HD2 H 3.085 0.005 2 346 31 35 ARG HD3 H 2.991 0.003 2 347 31 35 ARG HG2 H 1.583 0.002 2 348 31 35 ARG H H 7.682 0.006 1 349 31 35 ARG N N 114.659 0.039 1 350 32 36 HIS C C 177.203 0.000 1 351 32 36 HIS CA C 56.070 0.047 1 352 32 36 HIS CB C 32.116 0.054 1 353 32 36 HIS CD2 C 117.056 0.060 1 354 32 36 HIS CE1 C 139.228 0.004 1 355 32 36 HIS HA H 5.087 0.005 1 356 32 36 HIS HB2 H 3.113 0.009 2 357 32 36 HIS HB3 H 3.326 0.007 2 358 32 36 HIS HD2 H 6.942 0.003 2 359 32 36 HIS HE1 H 7.848 0.004 2 360 32 36 HIS H H 8.828 0.009 1 361 32 36 HIS N N 124.774 0.049 1 362 32 36 HIS ND1 N 239.062 0.000 1 363 32 36 HIS NE2 N 171.677 0.010 1 364 33 37 GLY C C 171.588 0.000 1 365 33 37 GLY CA C 44.773 0.036 1 366 33 37 GLY HA2 H 3.620 0.005 2 367 33 37 GLY HA3 H 5.138 0.004 2 368 33 37 GLY H H 9.796 0.006 1 369 33 37 GLY N N 108.074 0.035 1 370 34 38 PHE C C 172.312 0.000 1 371 34 38 PHE CA C 57.369 0.025 1 372 34 38 PHE CB C 42.547 0.032 1 373 34 38 PHE CD1 C 131.819 0.109 3 374 34 38 PHE CE1 C 131.383 0.097 3 375 34 38 PHE CZ C 131.784 0.126 1 376 34 38 PHE HA H 4.617 0.006 1 377 34 38 PHE HB2 H 2.805 0.005 2 378 34 38 PHE HB3 H 2.974 0.004 2 379 34 38 PHE HD1 H 6.858 0.008 3 380 34 38 PHE HE1 H 7.172 0.006 3 381 34 38 PHE H H 9.130 0.006 1 382 34 38 PHE HZ H 7.224 0.009 1 383 34 38 PHE N N 122.535 0.030 1 384 35 39 LEU CA C 50.515 0.027 1 385 35 39 LEU CB C 45.487 0.045 1 386 35 39 LEU CD1 C 23.618 0.034 1 387 35 39 LEU CD2 C 26.106 0.059 1 388 35 39 LEU CG C 26.717 0.081 1 389 35 39 LEU HA H 4.986 0.004 1 390 35 39 LEU HB2 H 0.650 0.005 2 391 35 39 LEU HB3 H 1.682 0.008 2 392 35 39 LEU HD1 H 0.612 0.003 1 393 35 39 LEU HD2 H 0.320 0.007 1 394 35 39 LEU HG H 1.201 0.002 1 395 35 39 LEU H H 8.887 0.006 1 396 35 39 LEU N N 129.311 0.037 1 397 36 40 PRO C C 177.424 0.000 1 398 36 40 PRO CA C 62.041 0.054 1 399 36 40 PRO CB C 33.337 0.030 1 400 36 40 PRO CD C 51.484 0.066 1 401 36 40 PRO CG C 27.734 0.060 1 402 36 40 PRO HA H 4.426 0.005 1 403 36 40 PRO HB2 H 2.008 0.002 2 404 36 40 PRO HB3 H 2.568 0.008 2 405 36 40 PRO HD2 H 3.892 0.004 2 406 36 40 PRO HD3 H 3.817 0.008 2 407 36 40 PRO HG2 H 2.182 0.009 1 408 36 40 PRO HG3 H 2.182 0.009 1 409 36 40 PRO N N 137.190 0.007 2 410 37 41 LEU C C 178.838 0.000 1 411 37 41 LEU CA C 58.337 0.039 1 412 37 41 LEU CB C 42.781 0.039 1 413 37 41 LEU CD1 C 23.649 0.041 1 414 37 41 LEU CD2 C 26.538 0.039 1 415 37 41 LEU CG C 27.121 0.070 1 416 37 41 LEU HA H 3.923 0.003 1 417 37 41 LEU HB2 H 1.386 0.004 2 418 37 41 LEU HB3 H 1.996 0.004 2 419 37 41 LEU HD1 H 0.797 0.003 1 420 37 41 LEU HD2 H 0.914 0.005 1 421 37 41 LEU HG H 1.630 0.006 1 422 37 41 LEU H H 8.475 0.005 1 423 37 41 LEU N N 123.090 0.061 1 424 38 42 LYS C C 176.684 0.000 1 425 38 42 LYS CA C 58.571 0.048 1 426 38 42 LYS CB C 32.380 0.077 1 427 38 42 LYS CD C 29.661 0.051 1 428 38 42 LYS CE C 42.546 0.094 1 429 38 42 LYS CG C 25.056 0.015 1 430 38 42 LYS HA H 4.314 0.003 1 431 38 42 LYS HB2 H 2.078 0.004 2 432 38 42 LYS HB3 H 1.883 0.003 2 433 38 42 LYS HD2 H 1.836 0.005 2 434 38 42 LYS HD3 H 1.787 0.001 2 435 38 42 LYS HE2 H 3.103 0.006 1 436 38 42 LYS HE3 H 3.103 0.006 1 437 38 42 LYS HG2 H 1.553 0.004 1 438 38 42 LYS HG3 H 1.553 0.004 1 439 38 42 LYS H H 8.753 0.005 1 440 38 42 LYS N N 115.463 0.029 1 441 39 43 GLU C C 175.674 0.000 1 442 39 43 GLU CA C 54.818 0.052 1 443 39 43 GLU CB C 29.271 0.087 1 444 39 43 GLU CG C 35.708 0.062 1 445 39 43 GLU HA H 4.972 0.005 1 446 39 43 GLU HB2 H 3.138 0.007 2 447 39 43 GLU HB3 H 1.942 0.008 2 448 39 43 GLU HG2 H 2.927 0.007 2 449 39 43 GLU HG3 H 2.202 0.003 2 450 39 43 GLU H H 7.889 0.005 1 451 39 43 GLU N N 115.343 0.032 1 452 40 44 ILE C C 173.500 0.000 1 453 40 44 ILE CA C 61.889 0.059 1 454 40 44 ILE CB C 37.764 0.099 1 455 40 44 ILE CD1 C 14.294 0.036 1 456 40 44 ILE CG1 C 27.494 0.106 1 457 40 44 ILE CG2 C 18.310 0.038 1 458 40 44 ILE HA H 3.802 0.007 1 459 40 44 ILE HB H 2.113 0.006 1 460 40 44 ILE HD1 H 0.586 0.005 1 461 40 44 ILE HG12 H 1.847 0.005 2 462 40 44 ILE HG13 H 0.506 0.011 2 463 40 44 ILE HG2 H 0.833 0.005 1 464 40 44 ILE H H 7.685 0.006 1 465 40 44 ILE N N 122.729 0.032 1 466 41 45 ALA C C 177.642 0.000 1 467 41 45 ALA CA C 52.464 0.039 1 468 41 45 ALA CB C 19.489 0.034 1 469 41 45 ALA HA H 4.101 0.005 1 470 41 45 ALA HB H 1.148 0.003 1 471 41 45 ALA H H 7.836 0.006 1 472 41 45 ALA N N 131.315 0.047 1 473 42 46 ARG C C 178.505 0.000 1 474 42 46 ARG CA C 58.416 0.023 1 475 42 46 ARG CB C 29.807 0.062 1 476 42 46 ARG CD C 43.105 0.061 1 477 42 46 ARG CG C 27.240 0.046 1 478 42 46 ARG HA H 3.377 0.004 1 479 42 46 ARG HB2 H 1.780 0.003 2 480 42 46 ARG HB3 H 1.697 0.002 2 481 42 46 ARG HD2 H 2.977 0.004 1 482 42 46 ARG HD3 H 2.977 0.004 1 483 42 46 ARG HG2 H 1.573 0.003 1 484 42 46 ARG HG3 H 1.573 0.003 1 485 42 46 ARG H H 8.479 0.006 1 486 42 46 ARG N N 119.308 0.055 1 487 43 47 GLU C C 176.842 0.000 1 488 43 47 GLU CA C 59.315 0.040 1 489 43 47 GLU CB C 28.938 0.168 1 490 43 47 GLU CG C 36.522 0.051 1 491 43 47 GLU HA H 4.078 0.003 1 492 43 47 GLU HB2 H 1.769 0.008 1 493 43 47 GLU HB3 H 1.769 0.008 1 494 43 47 GLU HG2 H 1.945 0.006 2 495 43 47 GLU HG3 H 1.760 0.005 2 496 43 47 GLU H H 8.898 0.009 1 497 43 47 GLU N N 118.661 0.022 1 498 44 48 TYR C C 175.336 0.000 1 499 44 48 TYR CA C 59.912 0.068 1 500 44 48 TYR CB C 38.281 0.105 1 501 44 48 TYR CD1 C 132.980 0.014 3 502 44 48 TYR CE1 C 118.267 0.020 3 503 44 48 TYR HA H 4.357 0.004 1 504 44 48 TYR HB2 H 2.721 0.004 1 505 44 48 TYR HB3 H 3.073 0.004 1 506 44 48 TYR HD1 H 7.306 0.009 3 507 44 48 TYR HE1 H 7.014 0.007 3 508 44 48 TYR H H 7.800 0.004 1 509 44 48 TYR N N 116.397 0.030 1 510 45 49 PHE CA C 55.590 0.005 1 511 45 49 PHE CB C 37.172 0.041 1 512 45 49 PHE CD1 C 130.945 0.087 3 513 45 49 PHE CE1 C 131.307 0.118 3 514 45 49 PHE CZ C 129.442 0.000 1 515 45 49 PHE HA H 4.772 0.003 1 516 45 49 PHE HB2 H 2.813 0.005 2 517 45 49 PHE HB3 H 3.380 0.008 2 518 45 49 PHE HD1 H 6.952 0.012 3 519 45 49 PHE HE1 H 7.071 0.007 3 520 45 49 PHE H H 7.908 0.006 1 521 45 49 PHE HZ H 7.238 0.000 1 522 45 49 PHE N N 120.031 0.042 1 523 46 50 PRO C C 177.397 0.000 1 524 46 50 PRO CA C 63.172 0.035 1 525 46 50 PRO CB C 32.596 0.032 1 526 46 50 PRO CD C 50.725 0.032 1 527 46 50 PRO CG C 28.106 0.067 1 528 46 50 PRO HA H 4.570 0.003 1 529 46 50 PRO HB2 H 2.071 0.004 2 530 46 50 PRO HB3 H 2.522 0.004 2 531 46 50 PRO HD2 H 3.396 0.003 2 532 46 50 PRO HD3 H 4.167 0.004 2 533 46 50 PRO HG2 H 2.202 0.005 1 534 46 50 PRO HG3 H 2.202 0.005 1 535 46 50 PRO N N 134.832 0.000 1 536 47 51 ALA C C 178.489 0.000 1 537 47 51 ALA CA C 54.439 0.040 1 538 47 51 ALA CB C 18.816 0.040 1 539 47 51 ALA HA H 4.213 0.005 1 540 47 51 ALA HB H 1.469 0.003 1 541 47 51 ALA H H 8.738 0.006 1 542 47 51 ALA N N 125.088 0.038 1 543 48 52 ASN C C 174.947 0.000 1 544 48 52 ASN CA C 53.347 0.042 1 545 48 52 ASN CB C 37.951 0.081 1 546 48 52 ASN CG C 178.019 0.000 1 547 48 52 ASN HA H 4.655 0.008 1 548 48 52 ASN HB2 H 2.889 0.007 2 549 48 52 ASN HB3 H 2.970 0.002 2 550 48 52 ASN HD21 H 7.608 0.005 1 551 48 52 ASN HD22 H 6.902 0.003 1 552 48 52 ASN H H 8.530 0.005 1 553 48 52 ASN N N 113.762 0.031 1 554 48 52 ASN ND2 N 112.622 0.027 1 555 49 53 TYR C C 175.781 0.000 1 556 49 53 TYR CA C 59.571 0.041 1 557 49 53 TYR CB C 39.502 0.047 1 558 49 53 TYR CD1 C 133.186 0.048 3 559 49 53 TYR CE1 C 118.579 0.036 3 560 49 53 TYR HA H 4.424 0.006 1 561 49 53 TYR HB2 H 3.033 0.003 2 562 49 53 TYR HB3 H 3.206 0.006 2 563 49 53 TYR HD1 H 7.095 0.005 3 564 49 53 TYR HE1 H 6.730 0.010 3 565 49 53 TYR H H 7.764 0.005 1 566 49 53 TYR N N 120.656 0.032 1 567 50 54 SER C C 173.621 0.000 1 568 50 54 SER CA C 58.009 0.061 1 569 50 54 SER CB C 64.154 0.041 1 570 50 54 SER HA H 4.335 0.003 1 571 50 54 SER HB2 H 3.668 0.003 2 572 50 54 SER HB3 H 3.757 0.004 2 573 50 54 SER H H 8.025 0.006 1 574 50 54 SER N N 121.327 0.033 1 575 51 55 ALA C C 177.248 0.000 1 576 51 55 ALA CA C 52.840 0.038 1 577 51 55 ALA CB C 19.282 0.079 1 578 51 55 ALA HA H 4.183 0.004 1 579 51 55 ALA HB H 1.284 0.004 1 580 51 55 ALA H H 7.674 0.003 1 581 51 55 ALA N N 126.058 0.036 1 582 52 56 HIS C C 175.489 0.000 1 583 52 56 HIS CA C 56.281 0.035 1 584 52 56 HIS CB C 30.528 0.037 1 585 52 56 HIS HA H 4.663 0.004 1 586 52 56 HIS HB2 H 3.070 0.003 2 587 52 56 HIS HB3 H 3.201 0.004 2 588 52 56 HIS HD2 H 7.101 0.005 1 589 52 56 HIS H H 8.182 0.010 1 590 52 56 HIS N N 118.383 0.048 1 591 53 57 GLY C C 173.539 0.000 1 592 53 57 GLY CA C 45.257 0.071 1 593 53 57 GLY HA2 H 4.030 0.009 2 594 53 57 GLY HA3 H 3.924 0.005 2 595 53 57 GLY H H 8.206 0.013 1 596 53 57 GLY N N 109.810 0.039 1 597 54 58 ARG CA C 54.263 0.027 1 598 54 58 ARG CB C 30.638 0.037 1 599 54 58 ARG HA H 4.651 0.003 1 600 54 58 ARG HB2 H 1.884 0.004 2 601 54 58 ARG HB3 H 1.793 0.004 2 602 54 58 ARG HD2 H 3.265 0.002 1 603 54 58 ARG HD3 H 3.265 0.002 1 604 54 58 ARG H H 8.398 0.004 1 605 54 58 ARG N N 122.983 0.029 1 606 55 59 PRO C C 175.270 0.000 1 607 55 59 PRO CA C 63.182 0.042 1 608 55 59 PRO CB C 32.610 0.036 1 609 55 59 PRO CD C 50.806 0.042 1 610 55 59 PRO CG C 27.428 0.040 1 611 55 59 PRO HA H 4.542 0.006 1 612 55 59 PRO HB2 H 2.212 0.003 2 613 55 59 PRO HB3 H 1.738 0.003 2 614 55 59 PRO HD2 H 3.862 0.005 2 615 55 59 PRO HD3 H 3.673 0.004 2 616 55 59 PRO HG2 H 2.001 0.003 1 617 55 59 PRO HG3 H 2.001 0.003 1 618 55 59 PRO N N 138.116 0.007 1 619 56 60 ASN C C 176.952 0.088 1 620 56 60 ASN CA C 52.217 0.051 1 621 56 60 ASN CB C 40.685 0.032 1 622 56 60 ASN CG C 176.812 0.000 1 623 56 60 ASN HA H 4.967 0.005 1 624 56 60 ASN HB2 H 2.832 0.005 2 625 56 60 ASN HB3 H 3.002 0.004 2 626 56 60 ASN HD21 H 7.716 0.001 1 627 56 60 ASN HD22 H 6.822 0.002 1 628 56 60 ASN H H 8.299 0.002 1 629 56 60 ASN N N 119.023 0.027 1 630 56 60 ASN ND2 N 112.923 0.016 1 631 57 61 ILE C C 175.055 0.000 1 632 57 61 ILE CA C 64.390 0.051 1 633 57 61 ILE CB C 38.889 0.065 1 634 57 61 ILE CD1 C 14.733 0.038 1 635 57 61 ILE CG1 C 29.116 0.045 1 636 57 61 ILE CG2 C 16.869 0.065 1 637 57 61 ILE HA H 3.789 0.006 1 638 57 61 ILE HB H 1.707 0.004 1 639 57 61 ILE HD1 H 0.578 0.004 1 640 57 61 ILE HG12 H 1.256 0.004 2 641 57 61 ILE HG13 H 1.068 0.003 2 642 57 61 ILE HG2 H 0.878 0.004 1 643 57 61 ILE H H 9.558 0.008 1 644 57 61 ILE N N 126.519 0.030 1 645 58 62 LYS C C 176.862 0.000 1 646 58 62 LYS CA C 58.312 0.063 1 647 58 62 LYS CB C 32.360 0.031 1 648 58 62 LYS CD C 29.472 0.022 1 649 58 62 LYS CE C 42.361 0.121 1 650 58 62 LYS CG C 25.702 0.040 1 651 58 62 LYS HA H 4.175 0.004 1 652 58 62 LYS HB2 H 1.826 0.004 1 653 58 62 LYS HB3 H 1.826 0.004 1 654 58 62 LYS HD2 H 1.732 0.005 1 655 58 62 LYS HD3 H 1.732 0.005 1 656 58 62 LYS HE2 H 3.050 0.000 1 657 58 62 LYS HE3 H 3.050 0.000 1 658 58 62 LYS HG2 H 1.531 0.004 2 659 58 62 LYS HG3 H 1.454 0.004 2 660 58 62 LYS H H 8.295 0.003 1 661 58 62 LYS N N 120.056 0.031 1 662 59 63 ASP C C 176.619 0.000 1 663 59 63 ASP CA C 55.316 0.032 1 664 59 63 ASP CB C 42.196 0.024 1 665 59 63 ASP HA H 4.730 0.003 1 666 59 63 ASP HB2 H 2.844 0.002 1 667 59 63 ASP HB3 H 2.844 0.002 1 668 59 63 ASP H H 7.833 0.006 1 669 59 63 ASP N N 116.055 0.060 1 670 60 64 VAL C C 173.711 0.000 1 671 60 64 VAL CA C 63.280 0.055 1 672 60 64 VAL CB C 33.709 0.049 1 673 60 64 VAL CG1 C 21.249 0.160 1 674 60 64 VAL CG2 C 20.519 0.030 1 675 60 64 VAL HA H 3.841 0.006 1 676 60 64 VAL HB H 1.628 0.003 1 677 60 64 VAL HG1 H 0.109 0.005 1 678 60 64 VAL HG2 H 0.365 0.004 1 679 60 64 VAL H H 7.181 0.005 1 680 60 64 VAL N N 114.389 0.038 1 681 61 65 LEU C C 175.289 0.000 1 682 61 65 LEU CA C 52.815 0.051 1 683 61 65 LEU CB C 47.282 0.035 1 684 61 65 LEU CD1 C 26.820 0.051 1 685 61 65 LEU CD2 C 22.671 0.026 1 686 61 65 LEU CG C 26.988 0.024 1 687 61 65 LEU HA H 5.115 0.003 1 688 61 65 LEU HB2 H 1.380 0.007 1 689 61 65 LEU HB3 H 1.183 0.004 1 690 61 65 LEU HD1 H 0.550 0.004 1 691 61 65 LEU HD2 H 0.625 0.006 1 692 61 65 LEU HG H 1.399 0.001 1 693 61 65 LEU H H 7.149 0.006 1 694 61 65 LEU N N 116.435 0.042 1 695 62 66 ARG C C 175.661 0.000 1 696 62 66 ARG CA C 54.127 0.041 1 697 62 66 ARG CB C 33.660 0.047 1 698 62 66 ARG CD C 43.594 0.038 1 699 62 66 ARG CG C 27.120 0.065 1 700 62 66 ARG HA H 4.577 0.004 1 701 62 66 ARG HB2 H 1.834 0.004 2 702 62 66 ARG HB3 H 1.697 0.002 2 703 62 66 ARG HD2 H 3.226 0.003 1 704 62 66 ARG HD3 H 3.226 0.003 1 705 62 66 ARG HE H 7.226 0.004 1 706 62 66 ARG HG2 H 1.579 0.008 1 707 62 66 ARG HG3 H 1.579 0.008 1 708 62 66 ARG H H 8.014 0.006 1 709 62 66 ARG N N 116.425 0.036 1 710 63 67 GLU C C 177.637 0.000 1 711 63 67 GLU CA C 59.374 0.030 1 712 63 67 GLU CB C 29.121 0.101 1 713 63 67 GLU CG C 37.399 0.059 1 714 63 67 GLU HA H 3.646 0.006 1 715 63 67 GLU HB2 H 1.984 0.005 1 716 63 67 GLU HB3 H 1.984 0.005 1 717 63 67 GLU HG2 H 2.263 0.002 1 718 63 67 GLU HG3 H 2.263 0.002 1 719 63 67 GLU H H 9.037 0.006 1 720 63 67 GLU N N 122.163 0.041 1 721 64 68 GLY C C 173.575 0.000 1 722 64 68 GLY CA C 45.348 0.064 1 723 64 68 GLY HA2 H 3.595 0.002 2 724 64 68 GLY HA3 H 4.446 0.003 2 725 64 68 GLY H H 9.229 0.005 1 726 64 68 GLY N N 113.077 0.031 1 727 65 69 GLN C C 175.019 0.000 1 728 65 69 GLN CA C 56.871 0.045 1 729 65 69 GLN CB C 30.385 0.044 1 730 65 69 GLN CG C 33.761 0.118 1 731 65 69 GLN HA H 4.221 0.004 1 732 65 69 GLN HB2 H 2.294 0.002 2 733 65 69 GLN HB3 H 2.075 0.009 2 734 65 69 GLN HE21 H 7.552 0.004 1 735 65 69 GLN HE22 H 7.325 0.004 1 736 65 69 GLN HG2 H 2.478 0.003 1 737 65 69 GLN HG3 H 2.478 0.003 1 738 65 69 GLN H H 7.715 0.004 1 739 65 69 GLN N N 121.489 0.035 1 740 65 69 GLN NE2 N 108.204 0.008 1 741 66 70 GLU C C 176.386 0.000 1 742 66 70 GLU CA C 56.052 0.045 1 743 66 70 GLU CB C 31.819 0.043 1 744 66 70 GLU CG C 37.835 0.011 1 745 66 70 GLU HA H 5.230 0.004 1 746 66 70 GLU HB2 H 2.047 0.011 2 747 66 70 GLU HB3 H 2.098 0.007 2 748 66 70 GLU HG2 H 2.430 0.002 2 749 66 70 GLU HG3 H 2.144 0.002 2 750 66 70 GLU H H 8.670 0.006 1 751 66 70 GLU N N 124.465 0.032 1 752 67 71 VAL C C 173.344 0.000 1 753 67 71 VAL CA C 59.271 0.051 1 754 67 71 VAL CB C 35.855 0.052 1 755 67 71 VAL CG1 C 21.487 0.031 1 756 67 71 VAL CG2 C 19.335 0.037 1 757 67 71 VAL HA H 4.673 0.003 1 758 67 71 VAL HB H 1.433 0.003 1 759 67 71 VAL HG1 H 0.318 0.004 1 760 67 71 VAL HG2 H 0.378 0.003 1 761 67 71 VAL H H 8.606 0.006 1 762 67 71 VAL N N 116.242 0.062 1 763 68 72 ILE C C 176.398 0.000 1 764 68 72 ILE CA C 60.575 0.044 1 765 68 72 ILE CB C 37.214 0.071 1 766 68 72 ILE CD1 C 12.168 0.046 1 767 68 72 ILE CG1 C 27.688 0.067 1 768 68 72 ILE CG2 C 18.166 0.025 1 769 68 72 ILE HA H 4.912 0.005 1 770 68 72 ILE HB H 1.911 0.006 1 771 68 72 ILE HD1 H 0.890 0.001 1 772 68 72 ILE HG12 H 1.271 0.004 2 773 68 72 ILE HG13 H 1.636 0.011 2 774 68 72 ILE HG2 H 0.844 0.002 1 775 68 72 ILE H H 7.293 0.007 1 776 68 72 ILE N N 123.339 0.040 1 777 69 73 VAL C C 173.650 0.000 1 778 69 73 VAL CA C 57.919 0.033 1 779 69 73 VAL CB C 36.786 0.046 1 780 69 73 VAL CG1 C 23.101 0.048 1 781 69 73 VAL CG2 C 18.004 0.031 1 782 69 73 VAL HA H 5.325 0.003 1 783 69 73 VAL HB H 1.948 0.004 1 784 69 73 VAL HG1 H 0.551 0.002 1 785 69 73 VAL HG2 H 0.589 0.005 1 786 69 73 VAL H H 9.064 0.006 1 787 69 73 VAL N N 117.076 0.035 1 788 70 74 GLN C C 175.077 0.000 1 789 70 74 GLN CA C 53.431 0.043 1 790 70 74 GLN CB C 33.992 0.087 1 791 70 74 GLN CG C 34.345 0.070 1 792 70 74 GLN HA H 5.126 0.005 1 793 70 74 GLN HB2 H 1.956 0.014 1 794 70 74 GLN HB3 H 1.956 0.014 1 795 70 74 GLN HE21 H 7.329 0.007 1 796 70 74 GLN HE22 H 6.979 0.005 1 797 70 74 GLN HG2 H 2.196 0.004 2 798 70 74 GLN HG3 H 2.313 0.007 2 799 70 74 GLN H H 8.652 0.006 1 800 70 74 GLN N N 117.722 0.049 1 801 70 74 GLN NE2 N 111.571 0.033 1 802 71 75 ILE C C 175.421 0.000 1 803 71 75 ILE CA C 62.805 0.042 1 804 71 75 ILE CB C 38.000 0.040 1 805 71 75 ILE CD1 C 12.797 0.014 1 806 71 75 ILE CG1 C 28.019 0.044 1 807 71 75 ILE CG2 C 17.710 0.053 1 808 71 75 ILE HA H 3.945 0.005 1 809 71 75 ILE HB H 1.947 0.007 1 810 71 75 ILE HD1 H 0.791 0.004 1 811 71 75 ILE HG12 H 0.977 0.007 2 812 71 75 ILE HG13 H 1.534 0.000 2 813 71 75 ILE HG2 H 0.850 0.004 1 814 71 75 ILE H H 8.629 0.007 1 815 71 75 ILE N N 122.652 0.041 1 816 72 76 ASP C C 175.970 0.000 1 817 72 76 ASP CA C 55.091 0.028 1 818 72 76 ASP CB C 43.315 0.024 1 819 72 76 ASP HA H 4.820 0.007 1 820 72 76 ASP HB2 H 2.308 0.001 1 821 72 76 ASP HB3 H 2.548 0.003 1 822 72 76 ASP H H 9.262 0.006 1 823 72 76 ASP N N 130.748 0.026 1 824 73 77 LYS C C 175.339 0.000 1 825 73 77 LYS CA C 55.894 0.062 1 826 73 77 LYS CB C 35.052 0.065 1 827 73 77 LYS CD C 29.415 0.042 1 828 73 77 LYS CE C 42.547 0.032 1 829 73 77 LYS CG C 24.847 0.040 1 830 73 77 LYS HA H 4.540 0.002 1 831 73 77 LYS HB2 H 1.835 0.009 2 832 73 77 LYS HB3 H 1.923 0.011 2 833 73 77 LYS HD2 H 1.732 0.004 1 834 73 77 LYS HD3 H 1.732 0.004 1 835 73 77 LYS HE2 H 3.047 0.004 1 836 73 77 LYS HE3 H 3.047 0.004 1 837 73 77 LYS HG2 H 1.479 0.004 1 838 73 77 LYS HG3 H 1.479 0.004 1 839 73 77 LYS H H 7.832 0.005 1 840 73 77 LYS N N 116.924 0.046 1 841 74 78 GLU C C 176.333 0.000 1 842 74 78 GLU CA C 56.881 0.032 1 843 74 78 GLU CB C 30.712 0.035 1 844 74 78 GLU CG C 36.637 0.029 1 845 74 78 GLU HA H 4.242 0.007 1 846 74 78 GLU HB2 H 2.158 0.011 2 847 74 78 GLU HB3 H 2.017 0.002 2 848 74 78 GLU HG2 H 2.361 0.002 1 849 74 78 GLU HG3 H 2.361 0.002 1 850 74 78 GLU H H 8.631 0.004 1 851 74 78 GLU N N 122.039 0.033 1 852 75 79 GLU CA C 57.282 0.042 1 853 75 79 GLU CB C 31.024 0.058 1 854 75 79 GLU CG C 36.666 0.016 1 855 75 79 GLU HA H 4.112 0.007 1 856 75 79 GLU HB2 H 2.019 0.008 2 857 75 79 GLU HB3 H 2.083 0.004 2 858 75 79 GLU HG2 H 2.343 0.005 1 859 75 79 GLU HG3 H 2.343 0.005 1 860 75 79 GLU H H 8.686 0.007 1 861 75 79 GLU N N 121.939 0.028 1 862 76 80 ARG C C 176.590 0.000 1 863 76 80 ARG CA C 55.676 0.117 1 864 76 80 ARG CB C 31.961 0.036 1 865 76 80 ARG CD C 43.710 0.026 1 866 76 80 ARG CG C 27.196 0.049 1 867 76 80 ARG HA H 4.542 0.004 1 868 76 80 ARG HB2 H 1.894 0.005 2 869 76 80 ARG HB3 H 1.801 0.001 2 870 76 80 ARG HD2 H 3.249 0.004 1 871 76 80 ARG HD3 H 3.249 0.004 1 872 76 80 ARG HE H 7.291 0.002 1 873 76 80 ARG HG2 H 1.681 0.006 2 874 76 80 ARG H H 8.202 0.003 1 875 76 80 ARG N N 122.850 0.031 1 876 77 81 GLY CA C 46.828 0.067 1 877 77 81 GLY HA2 H 3.862 0.002 2 878 77 81 GLY HA3 H 3.983 0.002 2 879 77 81 GLY H H 8.820 0.006 1 880 77 81 GLY N N 112.590 0.037 1 881 78 82 ASN C C 175.227 0.000 1 882 78 82 ASN CA C 53.412 0.057 1 883 78 82 ASN CB C 38.484 0.063 1 884 78 82 ASN CG C 177.522 0.019 1 885 78 82 ASN HA H 4.686 0.006 1 886 78 82 ASN HB2 H 2.871 0.005 1 887 78 82 ASN HB3 H 2.871 0.005 1 888 78 82 ASN HD21 H 7.541 0.006 1 889 78 82 ASN HD22 H 6.879 0.005 1 890 78 82 ASN ND2 N 111.934 0.083 1 891 79 83 LYS C C 176.769 0.000 1 892 79 83 LYS CA C 56.512 0.068 1 893 79 83 LYS CB C 34.011 0.025 1 894 79 83 LYS CD C 29.260 0.045 1 895 79 83 LYS CE C 42.447 0.001 1 896 79 83 LYS CG C 25.165 0.024 1 897 79 83 LYS HA H 4.436 0.006 1 898 79 83 LYS HB2 H 1.981 0.008 2 899 79 83 LYS HB3 H 1.909 0.000 2 900 79 83 LYS HD2 H 1.639 0.006 1 901 79 83 LYS HD3 H 1.639 0.006 1 902 79 83 LYS HE2 H 2.943 0.003 1 903 79 83 LYS HE3 H 2.943 0.003 1 904 79 83 LYS HG2 H 1.483 0.002 1 905 79 83 LYS HG3 H 1.483 0.002 1 906 79 83 LYS H H 8.060 0.007 1 907 79 83 LYS N N 119.380 0.026 1 908 80 84 GLY C C 173.157 0.000 1 909 80 84 GLY CA C 44.800 0.050 1 910 80 84 GLY HA2 H 3.948 0.006 2 911 80 84 GLY HA3 H 4.327 0.006 2 912 80 84 GLY H H 8.423 0.005 1 913 80 84 GLY N N 107.963 0.027 1 914 81 85 ALA C C 176.362 0.000 1 915 81 85 ALA CA C 52.968 0.038 1 916 81 85 ALA CB C 20.285 0.036 1 917 81 85 ALA HA H 4.271 0.002 1 918 81 85 ALA HB H 1.476 0.003 1 919 81 85 ALA H H 8.448 0.009 1 920 81 85 ALA N N 123.202 0.041 1 921 82 86 ALA C C 177.243 0.000 1 922 82 86 ALA CA C 51.941 0.076 1 923 82 86 ALA CB C 20.235 0.042 1 924 82 86 ALA HA H 4.954 0.004 1 925 82 86 ALA HB H 1.663 0.002 1 926 82 86 ALA H H 8.632 0.004 1 927 82 86 ALA N N 124.173 0.032 1 928 83 87 LEU C C 175.538 0.000 1 929 83 87 LEU CA C 53.260 0.047 1 930 83 87 LEU CB C 46.728 0.053 1 931 83 87 LEU CD1 C 26.678 0.040 1 932 83 87 LEU CD2 C 22.382 0.040 1 933 83 87 LEU CG C 26.523 0.053 1 934 83 87 LEU HA H 5.160 0.006 1 935 83 87 LEU HB2 H 1.513 0.006 1 936 83 87 LEU HB3 H 1.094 0.005 1 937 83 87 LEU HD1 H 0.545 0.003 1 938 83 87 LEU HD2 H 0.188 0.010 1 939 83 87 LEU HG H 1.518 0.005 1 940 83 87 LEU H H 8.952 0.005 1 941 83 87 LEU N N 122.409 0.042 1 942 84 88 THR C C 172.950 0.000 1 943 84 88 THR CA C 60.518 0.046 1 944 84 88 THR CB C 69.499 0.151 1 945 84 88 THR CG2 C 20.080 0.062 1 946 84 88 THR HA H 4.925 0.006 1 947 84 88 THR HB H 4.156 0.005 1 948 84 88 THR HG2 H 1.145 0.005 1 949 84 88 THR H H 8.435 0.008 1 950 84 88 THR N N 111.386 0.036 1 951 85 89 THR C C 175.173 0.000 1 952 85 89 THR CA C 62.210 0.035 1 953 85 89 THR CB C 70.532 0.210 1 954 85 89 THR CG2 C 22.218 0.054 1 955 85 89 THR HA H 5.177 0.009 1 956 85 89 THR HB H 4.479 0.305 1 957 85 89 THR HG2 H 0.974 0.003 1 958 85 89 THR H H 7.952 0.004 1 959 85 89 THR N N 113.429 0.023 1 960 86 90 PHE C C 174.797 0.000 1 961 86 90 PHE CA C 58.374 0.040 1 962 86 90 PHE CB C 37.221 0.019 1 963 86 90 PHE CD1 C 131.935 0.091 3 964 86 90 PHE HA H 4.690 0.002 1 965 86 90 PHE HB2 H 3.077 0.003 1 966 86 90 PHE HB3 H 3.077 0.003 1 967 86 90 PHE HD1 H 7.366 0.006 3 968 86 90 PHE H H 9.026 0.006 1 969 86 90 PHE N N 127.628 0.053 1 970 87 91 ILE C C 176.894 0.000 1 971 87 91 ILE CA C 60.284 0.027 1 972 87 91 ILE CB C 37.672 0.090 1 973 87 91 ILE CD1 C 12.133 0.031 1 974 87 91 ILE CG1 C 27.126 0.020 1 975 87 91 ILE CG2 C 18.435 0.016 1 976 87 91 ILE HA H 4.093 0.003 1 977 87 91 ILE HB H 1.915 0.005 1 978 87 91 ILE HD1 H 0.708 0.004 1 979 87 91 ILE HG12 H 1.342 0.004 2 980 87 91 ILE HG13 H 1.407 0.002 2 981 87 91 ILE HG2 H 0.856 0.002 1 982 87 91 ILE H H 7.673 0.004 1 983 87 91 ILE N N 121.601 0.040 1 984 88 92 SER C C 174.383 0.000 1 985 88 92 SER CA C 58.049 0.047 1 986 88 92 SER CB C 64.173 0.038 1 987 88 92 SER HA H 4.611 0.004 1 988 88 92 SER HB2 H 3.915 0.003 1 989 88 92 SER HB3 H 3.915 0.003 1 990 88 92 SER H H 9.050 0.005 1 991 88 92 SER N N 121.671 0.054 1 992 89 93 LEU C C 177.194 0.000 1 993 89 93 LEU CA C 55.069 0.114 1 994 89 93 LEU CB C 42.763 0.052 1 995 89 93 LEU CD1 C 25.426 0.065 1 996 89 93 LEU CD2 C 23.678 0.051 1 997 89 93 LEU HA H 4.470 0.004 1 998 89 93 LEU HB2 H 1.644 0.005 1 999 89 93 LEU HB3 H 1.644 0.005 1 1000 89 93 LEU HD1 H 0.941 0.005 1 1001 89 93 LEU HD2 H 0.866 0.004 1 1002 89 93 LEU H H 8.444 0.004 1 1003 89 93 LEU N N 125.881 0.034 1 1004 90 94 ALA C C 178.097 0.000 1 1005 90 94 ALA CA C 52.935 0.048 1 1006 90 94 ALA CB C 19.679 0.051 1 1007 90 94 ALA HA H 4.376 0.004 1 1008 90 94 ALA HB H 1.436 0.004 1 1009 90 94 ALA H H 8.268 0.003 1 1010 90 94 ALA N N 124.694 0.117 1 1011 91 95 GLY C C 173.420 0.000 1 1012 91 95 GLY CA C 45.664 0.030 1 1013 91 95 GLY HA2 H 4.020 0.003 1 1014 91 95 GLY HA3 H 4.020 0.003 1 1015 91 95 GLY H H 8.404 0.004 1 1016 91 95 GLY N N 108.925 0.037 1 1017 92 96 SER CA C 60.168 0.017 1 1018 92 96 SER CB C 65.224 0.026 1 1019 92 96 SER HA H 4.335 0.004 1 1020 92 96 SER HB2 H 3.909 0.001 1 1021 92 96 SER HB3 H 3.909 0.001 1 1022 92 96 SER H H 7.881 0.005 1 1023 92 96 SER N N 121.057 0.037 1 stop_ save_