data_4072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence Specific 1HA, 15N, 13CA, and 13CB Assignments for RNA-1 Modulator Protein ROM ; _BMRB_accession_number 4072 _BMRB_flat_file_name bmr4072.str _Entry_type original _Submission_date 1997-11-13 _Accession_date 1998-01-07 _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 Pelton Jeffrey G. . 2 Chang Kung-Yao . . 3 Comolli Luis R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 129 "13C chemical shifts" 113 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-02-25 reformat BMRB 'converted to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Pelton, J. G., Chang, K-Y., and Comolli, L.R., "Sequence Specific 1HN, 15N, 1H Alpha, 13C Alpha, and 13C Beta Assignments for RNA-1 Modulator Protein ROM," J. Biomol. NMR 11, 463-464 (1998). ; _Citation_title ; Sequence Specific 1HN, 15N, 1H Alpha, 13C Alpha, and 13C Beta Assignments for RNA-1 Modulator Protein ROM ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98356295 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pelton Jeffrey G. . 2 Chang Kung-Yao . . 3 Comolli Luis R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 11 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 463 _Page_last 464 _Year 1998 _Details . loop_ _Keyword 'RNA-Binding Protein' ROP stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, J. H., Oldfield, E., Markley, J. L., and Sykes, B. D., J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8589602 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wishart 'D S' S. . 2 Bigam 'C G' G. . 3 Yao J . . 4 Abildgaard F . . 5 Dyson 'H J' J. . 6 Oldfield E . . 7 Markley 'J L' L. . 8 Sykes 'B D' D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 135 _Page_last 140 _Year 1995 _Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; save_ ################################## # Molecular system description # ################################## save_system_ROM_1 _Saveframe_category molecular_system _Mol_system_name RNA-1_Modulator_Protein _Abbreviation_common ROM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ROM_1 $ROM_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNA-1 modulator protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ROM_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA-1 Modulator Protein' _Abbreviation_common ROM _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GTKQEKTALNMARFIRSQTL TLLEKLNELDADEQADICES LHDHADELYRSCLARFGDDG ENL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 LYS 4 GLN 5 GLU 6 LYS 7 THR 8 ALA 9 LEU 10 ASN 11 MET 12 ALA 13 ARG 14 PHE 15 ILE 16 ARG 17 SER 18 GLN 19 THR 20 LEU 21 THR 22 LEU 23 LEU 24 GLU 25 LYS 26 LEU 27 ASN 28 GLU 29 LEU 30 ASP 31 ALA 32 ASP 33 GLU 34 GLN 35 ALA 36 ASP 37 ILE 38 CYS 39 GLU 40 SER 41 LEU 42 HIS 43 ASP 44 HIS 45 ALA 46 ASP 47 GLU 48 LEU 49 TYR 50 ARG 51 SER 52 CYS 53 LEU 54 ALA 55 ARG 56 PHE 57 GLY 58 ASP 59 ASP 60 GLY 61 GLU 62 ASN 63 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 1B6Q "Alanine 31 Proline Mutant Of Rop Protein" 98.41 63 98.39 98.39 5.59e-35 PDB 1GMG "Alanine 31 Proline Mutant Of Rop Protein, Monoclinic Form" 98.41 63 98.39 98.39 5.59e-35 PDB 1GTO "High Resolution Structure Of A Hyperstable Helical Bundle Protein Mutant" 98.41 62 98.39 98.39 6.85e-35 PDB 1ROP "Structure Of The ColE1 Rop Protein At 1.7 Angstroms Resolution" 98.41 63 100.00 100.00 1.73e-35 PDB 1RPR "The Structure Of Cole1 Rop In Solution" 98.41 63 100.00 100.00 1.73e-35 PDB 2GHY "Novel Crystal Form Of The Cole1 Rom Protein" 98.41 63 100.00 100.00 1.73e-35 PDB 2IJH "Crystal Structure Analysis Of Cole1 Rom Mutant F14w" 100.00 63 98.41 100.00 6.58e-36 PDB 2IJI "Structure Of F14h Mutant Of Cole1 Rom Protein" 100.00 63 98.41 98.41 2.64e-35 PDB 2IJJ "Crystal Structure Analysis Of Cole1 Rom Mutant F14y" 100.00 63 98.41 100.00 5.12e-36 PDB 2IJK "Structure Of A Rom Protein Dimer At 1.55 Angstrom Resolution" 100.00 63 100.00 100.00 1.95e-36 DBJ BAG80513 "RNA I inhibition modulator protein Rom [Escherichia coli SE11]" 98.41 63 100.00 100.00 1.73e-35 DBJ BAI28876 "putative RNA I inhibition modulator protein Rom [Escherichia coli O26:H11 str. 11368]" 98.41 63 98.39 98.39 8.54e-35 DBJ GAA57893 "regulatory protein rop, partial [Clonorchis sinensis]" 98.41 98 100.00 100.00 4.92e-36 DBJ GAM36836 "regulatory protein [Talaromyces cellulolyticus]" 98.41 74 100.00 100.00 8.53e-36 EMBL CAN86930 "rom/rop protein [Escherichia sp. Sflu5]" 98.41 74 100.00 100.00 8.53e-36 EMBL CAQ64790 "rom/rop protein [Cloning vector pRG930cm]" 98.41 74 100.00 100.00 8.53e-36 EMBL CBJ04270 "regulatory protein rop (RNA one modulator) (rom) [Escherichia coli ETEC H10407]" 98.41 63 100.00 100.00 1.73e-35 EMBL CBK33807 "ROP protein [Cloning vector pNIC-NHS]" 98.41 74 100.00 100.00 8.53e-36 EMBL CBL93629 "regulatory protein Rop [Escherichia coli ETEC 1392/75]" 98.41 74 100.00 100.00 8.53e-36 GB AAA73057 "gene Rom (Rop) [unidentified cloning vector]" 98.41 63 100.00 100.00 1.73e-35 GB AAA87380 "small palsmid-coded protein (galk) [Plasmid ColE1]" 98.41 63 100.00 100.00 1.73e-35 GB AAB59132 "RNA I inhibition modulator protein (rom; gtg start codon) [Escherichia coli]" 98.41 63 100.00 100.00 1.73e-35 GB AAB59736 "ROP protein [Cloning vector pBR322]" 98.41 63 100.00 100.00 1.73e-35 GB AAB97882 "Rop [plasmid pETHIS-1]" 98.41 63 100.00 100.00 1.73e-35 REF NP_040367 "RNA I inhibition modulator protein (rom; gtg start codon) [Escherichia coli]" 98.41 63 100.00 100.00 1.73e-35 REF NP_203136 "RNAI modulator protein Rom (plasmid) [Salmonella enterica]" 98.41 63 98.39 98.39 1.08e-34 REF NP_604402 "RNA I inhibition modulator protein Rom (plasmid) [Salmonella enterica subsp. enterica serovar Enteritidis]" 98.41 63 100.00 100.00 1.73e-35 REF NP_863575 "Rom [Escherichia coli]" 98.41 63 100.00 100.00 1.73e-35 REF WP_000165975 "hypothetical protein [Escherichia coli]" 96.83 63 98.36 98.36 3.43e-34 SP P03051 "RecName: Full=Regulatory protein rop; AltName: Full=RNA one modulator; Short=ROM" 98.41 63 100.00 100.00 1.73e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Plasmid $ROM_1 'E. coli' 562 Bacteria . Escherichia coli K12 ColE1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $ROM_1 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid p2R ; synthetic ( Plasmid p2R was a kind gift from L. Regan Predki et al., Cell 80, 41-50, (1995)) ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_ROM_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ROM_1 2 mM '[U-15N; U-13C]' phosphate_buffer 10 mM . dithiothreitol 1 mM . EDTA 1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.1 n/a pressure 1.0 0.1 atm temperature 303 1.0 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 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_ROM_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_ROM_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ROM_1 _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 . 7 THR H H 8.14 0.02 1 2 . 7 THR N N 116.0 0.20 1 3 . 7 THR CA C 66.5 0.20 1 4 . 7 THR HA H 4.03 0.02 1 5 . 7 THR CB C 68.5 0.20 1 6 . 8 ALA H H 7.61 0.02 1 7 . 8 ALA N N 123.9 0.20 1 8 . 8 ALA CA C 55.3 0.20 1 9 . 8 ALA HA H 4.00 0.02 1 10 . 8 ALA CB C 17.4 0.20 1 11 . 9 LEU H H 8.18 0.02 1 12 . 9 LEU N N 118.1 0.20 1 13 . 9 LEU CA C 58.3 0.20 1 14 . 9 LEU HA H 4.13 0.02 1 15 . 9 LEU CB C 42.5 0.20 1 16 . 10 ASN H H 8.66 0.02 1 17 . 10 ASN N N 116.8 0.20 1 18 . 10 ASN CA C 55.9 0.20 1 19 . 10 ASN HA H 4.58 0.02 1 20 . 10 ASN CB C 38.0 0.20 1 21 . 10 ASN HD21 H 7.04 0.02 2 22 . 10 ASN HD22 H 7.65 0.02 2 23 . 10 ASN ND2 N 111.9 0.20 1 24 . 11 MET H H 8.44 0.02 1 25 . 11 MET N N 121.2 0.20 1 26 . 11 MET CA C 59.7 0.20 1 27 . 11 MET HA H 4.40 0.02 1 28 . 11 MET CB C 33.4 0.20 1 29 . 12 ALA H H 8.63 0.02 1 30 . 12 ALA N N 122.3 0.20 1 31 . 12 ALA CA C 55.5 0.20 1 32 . 12 ALA HA H 4.15 0.02 1 33 . 12 ALA CB C 17.8 0.20 1 34 . 13 ARG H H 8.69 0.02 1 35 . 13 ARG N N 120.8 0.20 1 36 . 13 ARG CA C 59.8 0.20 1 37 . 13 ARG HA H 3.37 0.02 1 38 . 14 PHE H H 8.58 0.02 1 39 . 14 PHE N N 121.5 0.20 1 40 . 14 PHE CA C 60.6 0.20 1 41 . 14 PHE HA H 4.61 0.02 1 42 . 14 PHE CB C 39.0 0.20 1 43 . 14 PHE HD1 H 7.40 0.02 3 44 . 15 ILE H H 8.77 0.02 1 45 . 15 ILE N N 120.1 0.20 1 46 . 15 ILE CA C 66.2 0.20 1 47 . 15 ILE HA H 3.40 0.02 1 48 . 15 ILE CB C 38.5 0.20 1 49 . 16 ARG H H 7.81 0.02 1 50 . 16 ARG N N 119.5 0.20 1 51 . 16 ARG CA C 60.5 0.20 1 52 . 16 ARG HA H 3.93 0.02 1 53 . 16 ARG CB C 30.1 0.20 1 54 . 17 SER H H 8.33 0.02 1 55 . 17 SER N N 116.2 0.20 1 56 . 17 SER CA C 62.0 0.20 1 57 . 17 SER HA H 4.35 0.02 1 58 . 17 SER CB C 62.8 0.20 1 59 . 18 GLN H H 8.72 0.02 1 60 . 18 GLN N N 121.8 0.20 1 61 . 18 GLN CA C 58.6 0.20 1 62 . 18 GLN HA H 4.05 0.02 1 63 . 18 GLN CB C 29.0 0.20 1 64 . 19 THR H H 8.32 0.02 1 65 . 19 THR N N 109.2 0.20 1 66 . 19 THR CA C 66.2 0.20 1 67 . 19 THR HA H 3.88 0.02 1 68 . 19 THR CB C 69.1 0.20 1 69 . 20 LEU H H 7.17 0.02 1 70 . 20 LEU N N 122.7 0.20 1 71 . 20 LEU CA C 57.4 0.20 1 72 . 20 LEU HA H 4.04 0.02 1 73 . 20 LEU CB C 41.5 0.20 1 74 . 21 THR H H 7.83 0.02 1 75 . 21 THR N N 117.7 0.20 1 76 . 21 THR CA C 66.3 0.20 1 77 . 21 THR HA H 4.05 0.02 1 78 . 21 THR CB C 68.5 0.20 1 79 . 22 LEU H H 8.31 0.02 1 80 . 22 LEU N N 121.9 0.20 1 81 . 22 LEU CA C 57.5 0.20 1 82 . 22 LEU HA H 4.20 0.02 1 83 . 22 LEU CB C 40.2 0.20 1 84 . 23 LEU H H 8.02 0.02 1 85 . 23 LEU N N 122.9 0.20 1 86 . 23 LEU CA C 58.8 0.20 1 87 . 23 LEU HA H 4.01 0.02 1 88 . 23 LEU CB C 42.2 0.20 1 89 . 24 GLU H H 7.68 0.02 1 90 . 24 GLU N N 117.3 0.20 1 91 . 24 GLU CA C 59.4 0.20 1 92 . 24 GLU HA H 4.14 0.02 1 93 . 24 GLU CB C 29.3 0.20 1 94 . 25 LYS H H 7.90 0.02 1 95 . 25 LYS N N 119.0 0.20 1 96 . 25 LYS CA C 58.3 0.20 1 97 . 25 LYS HA H 4.21 0.02 1 98 . 25 LYS CB C 31.5 0.20 1 99 . 26 LEU H H 8.92 0.02 1 100 . 26 LEU N N 119.4 0.20 1 101 . 26 LEU CA C 58.0 0.20 1 102 . 26 LEU HA H 4.21 0.02 1 103 . 26 LEU CB C 42.0 0.20 1 104 . 27 ASN H H 8.53 0.02 1 105 . 27 ASN N N 118.3 0.20 1 106 . 27 ASN CA C 55.9 0.20 1 107 . 27 ASN HA H 4.71 0.02 1 108 . 27 ASN CB C 38.1 0.20 1 109 . 27 ASN HD21 H 6.80 0.02 2 110 . 27 ASN HD22 H 7.38 0.02 2 111 . 27 ASN ND2 N 109.9 0.20 1 112 . 28 GLU H H 8.05 0.02 1 113 . 28 GLU N N 121.5 0.20 1 114 . 28 GLU CA C 58.7 0.20 1 115 . 28 GLU HA H 4.21 0.02 1 116 . 28 GLU CB C 29.7 0.20 1 117 . 29 LEU H H 7.34 0.02 1 118 . 29 LEU N N 117.9 0.20 1 119 . 29 LEU CA C 54.5 0.20 1 120 . 29 LEU HA H 4.38 0.02 1 121 . 29 LEU CB C 43.3 0.20 1 122 . 30 ASP H H 8.18 0.02 1 123 . 30 ASP N N 118.0 0.20 1 124 . 30 ASP CA C 55.0 0.20 1 125 . 30 ASP HA H 4.51 0.02 1 126 . 30 ASP CB C 38.9 0.20 1 127 . 31 ALA H H 7.91 0.02 1 128 . 31 ALA N N 122.8 0.20 1 129 . 31 ALA CA C 50.1 0.20 1 130 . 31 ALA HA H 4.84 0.02 1 131 . 31 ALA CB C 16.9 0.20 1 132 . 32 ASP H H 7.94 0.02 1 133 . 32 ASP N N 121.2 0.20 1 134 . 32 ASP CA C 58.3 0.20 1 135 . 32 ASP HA H 4.24 0.02 1 136 . 32 ASP CB C 40.3 0.20 1 137 . 33 GLU H H 8.95 0.02 1 138 . 33 GLU N N 119.5 0.20 1 139 . 33 GLU CA C 59.5 0.20 1 140 . 33 GLU HA H 4.07 0.02 1 141 . 33 GLU CB C 29.1 0.20 1 142 . 34 GLN H H 7.41 0.02 1 143 . 34 GLN N N 117.7 0.20 1 144 . 34 GLN CA C 60.7 0.20 1 145 . 34 GLN HA H 3.88 0.02 1 146 . 34 GLN CB C 27.4 0.20 1 147 . 34 GLN HE21 H 6.61 0.02 2 148 . 34 GLN HE22 H 6.69 0.02 2 149 . 34 GLN NE2 N 111.0 0.20 1 150 . 35 ALA H H 9.09 0.02 1 151 . 35 ALA N N 123.6 0.20 1 152 . 35 ALA CA C 55.7 0.20 1 153 . 35 ALA HA H 3.86 0.02 1 154 . 35 ALA CB C 17.6 0.20 1 155 . 36 ASP H H 8.12 0.02 1 156 . 36 ASP N N 118.1 0.20 1 157 . 36 ASP CA C 57.9 0.20 1 158 . 36 ASP HA H 4.47 0.02 1 159 . 36 ASP CB C 40.3 0.20 1 160 . 37 ILE H H 7.43 0.02 1 161 . 37 ILE N N 119.6 0.20 1 162 . 37 ILE CA C 64.7 0.20 1 163 . 37 ILE HA H 4.07 0.02 1 164 . 37 ILE CB C 38.1 0.20 1 165 . 38 CYS H H 8.83 0.02 1 166 . 38 CYS N N 121.4 0.20 1 167 . 38 CYS CA C 62.3 0.20 1 168 . 38 CYS HA H 4.08 0.02 1 169 . 38 CYS CB C 27.1 0.20 1 170 . 39 GLU H H 9.18 0.02 1 171 . 39 GLU N N 122.8 0.20 1 172 . 39 GLU CA C 60.4 0.20 1 173 . 39 GLU HA H 4.08 0.02 1 174 . 39 GLU CB C 28.8 0.20 1 175 . 40 SER H H 7.45 0.02 1 176 . 40 SER N N 114.1 0.20 1 177 . 40 SER CA C 60.9 0.20 1 178 . 40 SER HA H 4.55 0.02 1 179 . 40 SER CB C 62.8 0.20 1 180 . 41 LEU H H 8.90 0.02 1 181 . 41 LEU N N 124.8 0.20 1 182 . 41 LEU CA C 57.9 0.20 1 183 . 41 LEU HA H 3.68 0.02 1 184 . 41 LEU CB C 42.2 0.20 1 185 . 42 HIS H H 8.94 0.02 1 186 . 42 HIS N N 119.1 0.20 1 187 . 42 HIS CA C 59.9 0.20 1 188 . 42 HIS CB C 27.5 0.20 1 189 . 43 ASP H H 8.01 0.02 1 190 . 43 ASP N N 121.3 0.20 1 191 . 43 ASP CA C 57.6 0.20 1 192 . 43 ASP HA H 4.35 0.02 1 193 . 43 ASP CB C 39.8 0.20 1 194 . 44 HIS H H 8.50 0.02 1 195 . 44 HIS N N 122.5 0.20 1 196 . 44 HIS CA C 57.0 0.20 1 197 . 44 HIS HA H 4.72 0.02 1 198 . 44 HIS CB C 30.7 0.20 1 199 . 45 ALA H H 9.18 0.02 1 200 . 45 ALA N N 123.0 0.20 1 201 . 45 ALA CA C 54.6 0.20 1 202 . 45 ALA HA H 4.13 0.02 1 203 . 45 ALA CB C 17.7 0.20 1 204 . 46 ASP H H 8.70 0.02 1 205 . 46 ASP N N 121.6 0.20 1 206 . 46 ASP CA C 58.5 0.20 1 207 . 46 ASP HA H 4.53 0.02 1 208 . 46 ASP CB C 42.0 0.20 1 209 . 47 GLU H H 8.18 0.02 1 210 . 47 GLU N N 120.4 0.20 1 211 . 47 GLU CA C 59.9 0.20 1 212 . 47 GLU HA H 4.02 0.02 1 213 . 47 GLU CB C 28.9 0.20 1 214 . 48 LEU H H 8.15 0.02 1 215 . 48 LEU N N 118.6 0.20 1 216 . 48 LEU CA C 58.0 0.20 1 217 . 48 LEU HA H 4.26 0.02 1 218 . 48 LEU CB C 40.1 0.20 1 219 . 49 TYR H H 8.72 0.02 1 220 . 49 TYR N N 120.7 0.20 1 221 . 49 TYR CA C 62.0 0.20 1 222 . 49 TYR HA H 4.10 0.02 1 223 . 49 TYR CB C 38.0 0.20 1 224 . 49 TYR HD1 H 6.83 0.02 3 225 . 49 TYR CD1 C 131.8 0.20 3 226 . 49 TYR HE1 H 7.05 0.02 3 227 . 49 TYR CE1 C 116.9 0.20 3 228 . 50 ARG H H 8.92 0.02 1 229 . 50 ARG N N 117.5 0.20 1 230 . 50 ARG CA C 60.2 0.20 1 231 . 50 ARG HA H 3.60 0.02 1 232 . 50 ARG CB C 29.9 0.20 1 233 . 51 SER H H 7.96 0.02 1 234 . 51 SER N N 114.4 0.20 1 235 . 51 SER CA C 61.2 0.20 1 236 . 51 SER HA H 4.22 0.02 1 237 . 51 SER CB C 63.5 0.20 1 238 . 52 CYS H H 8.45 0.02 1 239 . 52 CYS N N 116.5 0.20 1 240 . 52 CYS CA C 64.1 0.20 1 241 . 52 CYS HA H 3.71 0.02 1 242 . 52 CYS CB C 27.3 0.20 1 243 . 53 LEU H H 8.81 0.02 1 244 . 53 LEU N N 123.3 0.20 1 245 . 53 LEU CA C 57.9 0.20 1 246 . 53 LEU HA H 3.82 0.02 1 247 . 53 LEU CB C 42.0 0.20 1 248 . 54 ALA H H 7.56 0.02 1 249 . 54 ALA N N 119.8 0.20 1 250 . 54 ALA CA C 54.3 0.20 1 251 . 54 ALA HA H 4.08 0.02 1 252 . 54 ALA CB C 17.9 0.20 1 253 . 55 ARG H H 7.16 0.02 1 254 . 55 ARG N N 116.2 0.20 1 255 . 55 ARG CA C 57.6 0.20 1 256 . 55 ARG HA H 4.16 0.02 1 257 . 55 ARG CB C 31.1 0.20 1 258 . 56 PHE H H 8.60 0.02 1 259 . 56 PHE N N 114.8 0.20 1 260 . 56 PHE CA C 55.8 0.20 1 261 . 56 PHE HA H 5.03 0.02 1 262 . 56 PHE CB C 39.9 0.20 1 263 . 56 PHE HD1 H 7.03 0.02 4 264 . 56 PHE HE1 H 7.21 0.02 4 265 . 56 PHE HZ H 7.26 0.02 4 266 . 57 GLY H H 7.92 0.02 1 267 . 57 GLY N N 108.0 0.20 1 268 . 57 GLY CA C 44.9 0.20 1 269 . 57 GLY HA2 H 3.95 0.02 2 270 . 57 GLY HA3 H 4.33 0.02 2 271 . 58 ASP H H 8.16 0.02 1 272 . 58 ASP N N 117.2 0.20 1 273 . 58 ASP CA C 53.7 0.20 1 274 . 58 ASP HA H 4.66 0.02 1 275 . 58 ASP CB C 42.1 0.20 1 276 . 59 ASP H H 8.46 0.02 1 277 . 59 ASP N N 121.3 0.20 1 278 . 59 ASP CA C 54.1 0.20 1 279 . 59 ASP HA H 4.65 0.02 1 280 . 59 ASP CB C 41.1 0.20 1 281 . 60 GLY H H 8.56 0.02 1 282 . 60 GLY N N 109.0 0.20 1 283 . 60 GLY CA C 45.5 0.20 1 284 . 60 GLY HA2 H 3.99 0.02 2 285 . 60 GLY HA3 H 3.99 0.02 2 286 . 61 GLU H H 8.24 0.02 1 287 . 61 GLU N N 119.8 0.20 1 288 . 61 GLU CA C 56.4 0.20 1 289 . 61 GLU HA H 4.37 0.02 1 290 . 61 GLU CB C 30.2 0.20 1 291 . 62 ASN H H 8.56 0.02 1 292 . 62 ASN N N 119.5 0.20 1 293 . 62 ASN CA C 53.2 0.20 1 294 . 62 ASN HA H 4.80 0.02 1 295 . 62 ASN CB C 39.0 0.20 1 296 . 62 ASN HD21 H 6.97 0.02 2 297 . 62 ASN HD22 H 7.68 0.02 2 298 . 62 ASN ND2 N 113.4 0.20 1 299 . 63 LEU H H 7.85 0.02 1 300 . 63 LEU N N 127.6 0.20 1 301 . 63 LEU CA C 56.5 0.20 1 302 . 63 LEU HA H 4.28 0.02 1 303 . 63 LEU CB C 43.4 0.20 1 stop_ save_