data_5105 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An NMR Approach to Structural Proteomics ; _BMRB_accession_number 5105 _BMRB_flat_file_name bmr5105.str _Entry_type original _Submission_date 2001-08-14 _Accession_date 2001-08-14 _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 Yee Adelinda . . 2 Chang Xiaoqing . . 3 Pineda-Lucena Antonio . . 4 Wu Bin . . 5 Semesi Anthony . . 6 Le Brian . . 7 Ramelot Theresa . . 8 Lee Gregory M. . 9 Bhattacharyya Sudeepa . . 10 Gutierrez Pablo . . 11 Denisov Aleksej . . 12 Lee Chang-Hun . . 13 Cort John R. . 14 Kozlov Guennadi . . 15 Liao Jack . . 16 Finak Grzegorz . . 17 Chen Limin . . 18 Wishart David . . 19 Lee Weontae . . 20 McIntosh Lawrence P. . 21 Gehring Kalle . . 22 Kennedy Michael A. . 23 Edwards Aled M. . 24 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 209 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-08 original author . stop_ _Original_release_date 2002-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An NMR Approach to Structural Proteomics' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21843898 _PubMed_ID 11854485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang Xiaoqing . . 3 Pineda-Lucena Antonio . . 4 Wu Bin . . 5 Semesi Anthony . . 6 Le Brian . . 7 Ramelot Theresa . . 8 Lee Gregory M. . 9 Bhattacharyya Sudeepa . . 10 Gutierrez Pablo . . 11 Denisov Aleksej . . 12 Lee Chang-Hun . . 13 Cort John R. . 14 Kozlov Guennadi . . 15 Liao Jack . . 16 Finak Grzegorz . . 17 Chen Limin . . 18 Wishart David . . 19 Lee Weontae . . 20 McIntosh Lawrence P. . 21 Gehring Kalle . . 22 Kennedy Michael A. . 23 Edwards Aled M. . 24 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 99 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1825 _Page_last 1830 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_EC298 _Saveframe_category molecular_system _Mol_system_name EC298 _Abbreviation_common EC298 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EC298 $EC298 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EC298 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EC298 _Abbreviation_common EC298 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; MNKDEAGGNWKQFKGKVKEQ WGKLTDDDMTIIEGKRDQLV GKIQERYGYQKDQAEKEVVD WETRNEYRW ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 ASP 5 GLU 6 ALA 7 GLY 8 GLY 9 ASN 10 TRP 11 LYS 12 GLN 13 PHE 14 LYS 15 GLY 16 LYS 17 VAL 18 LYS 19 GLU 20 GLN 21 TRP 22 GLY 23 LYS 24 LEU 25 THR 26 ASP 27 ASP 28 ASP 29 MET 30 THR 31 ILE 32 ILE 33 GLU 34 GLY 35 LYS 36 ARG 37 ASP 38 GLN 39 LEU 40 VAL 41 GLY 42 LYS 43 ILE 44 GLN 45 GLU 46 ARG 47 TYR 48 GLY 49 TYR 50 GLN 51 LYS 52 ASP 53 GLN 54 ALA 55 GLU 56 LYS 57 GLU 58 VAL 59 VAL 60 ASP 61 TRP 62 GLU 63 THR 64 ARG 65 ASN 66 GLU 67 TYR 68 ARG 69 TRP 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 1RYK "Solution Nmr Structure Protein Yjbj From Escherichia Coli. Northeast Structural Genomics Consortium Target Et93; Ontario Centre" 100.00 69 100.00 100.00 7.41e-40 DBJ BAB38451 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 69 100.00 100.00 7.41e-40 DBJ BAE78047 "predicted stress response protein [Escherichia coli str. K-12 substr. W3110]" 100.00 69 100.00 100.00 7.41e-40 DBJ BAG79861 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 71 100.00 100.00 7.40e-40 DBJ BAI28306 "predicted stress response protein [Escherichia coli O26:H11 str. 11368]" 100.00 69 100.00 100.00 7.41e-40 DBJ BAI33483 "predicted stress response protein [Escherichia coli O103:H2 str. 12009]" 100.00 69 100.00 100.00 7.41e-40 EMBL CAQ34394 "predicted stress response protein [Escherichia coli BL21(DE3)]" 100.00 69 100.00 100.00 7.41e-40 EMBL CAR01024 "putative stress response protein [Escherichia coli IAI1]" 100.00 69 100.00 100.00 7.41e-40 EMBL CAR15697 "putative stress response protein [Escherichia coli UMN026]" 100.00 69 100.00 100.00 7.41e-40 EMBL CAV01331 "putative stress response protein [Escherichia coli 55989]" 100.00 69 100.00 100.00 7.41e-40 EMBL CBG37238 "putative general stress response protein [Escherichia coli 042]" 100.00 71 100.00 100.00 7.40e-40 GB AAC43139 "ORF_o69 [Escherichia coli str. K-12 substr. MG1655]" 100.00 69 100.00 100.00 7.41e-40 GB AAC77015 "stress-induced protein, UPF0337 family [Escherichia coli str. K-12 substr. MG1655]" 100.00 69 100.00 100.00 7.41e-40 GB AAG59244 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 69 100.00 100.00 7.41e-40 GB AAN45582 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 69 100.00 100.00 7.41e-40 GB AAP18617 "hypothetical protein S3571 [Shigella flexneri 2a str. 2457T]" 100.00 69 100.00 100.00 7.41e-40 REF NP_290679 "stress-response protein [Escherichia coli O157:H7 str. EDL933]" 100.00 69 100.00 100.00 7.41e-40 REF NP_313055 "stress-response protein [Escherichia coli O157:H7 str. Sakai]" 100.00 69 100.00 100.00 7.41e-40 REF NP_418469 "stress-induced protein, UPF0337 family [Escherichia coli str. K-12 substr. MG1655]" 100.00 69 100.00 100.00 7.41e-40 REF NP_709875 "hypothetical protein SF4160 [Shigella flexneri 2a str. 301]" 100.00 69 100.00 100.00 7.41e-40 REF NP_838806 "stress-response protein [Shigella flexneri 2a str. 2457T]" 100.00 69 100.00 100.00 7.41e-40 SP P68206 "RecName: Full=UPF0337 protein YjbJ [Escherichia coli K-12]" 100.00 69 100.00 100.00 7.41e-40 SP P68207 "RecName: Full=UPF0337 protein YjbJ [Escherichia coli O157:H7]" 100.00 69 100.00 100.00 7.41e-40 SP P68208 "RecName: Full=UPF0337 protein YjbJ [Shigella flexneri]" 100.00 69 100.00 100.00 7.41e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EC298 'E. coli' 562 Eubacteria . 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 $EC298 '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 $EC298 1.0 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . 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 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_CS_EC298 _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 EC298 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 55.5 0.05 1 2 . 1 MET HA H 4.50 0.02 1 3 . 1 MET CB C 31.7 0.05 1 4 . 1 MET CG C 29.8 0.05 1 5 . 2 ASN N N 120.7 0.05 1 6 . 2 ASN H H 8.62 0.02 1 7 . 2 ASN CA C 53.4 0.05 1 8 . 2 ASN HA H 4.73 0.02 1 9 . 2 ASN CB C 39.0 0.05 1 10 . 2 ASN HB2 H 2.89 0.02 2 11 . 2 ASN HB3 H 2.81 0.02 2 12 . 3 LYS N N 122.1 0.05 1 13 . 3 LYS H H 8.44 0.02 1 14 . 3 LYS CA C 57.1 0.05 1 15 . 3 LYS HA H 4.32 0.02 1 16 . 3 LYS CB C 32.8 0.05 1 17 . 3 LYS HB2 H 1.85 0.02 1 18 . 3 LYS HB3 H 1.85 0.02 1 19 . 3 LYS CG C 24.8 0.05 1 20 . 3 LYS HG2 H 1.47 0.02 1 21 . 3 LYS HG3 H 1.47 0.02 1 22 . 3 LYS CD C 29.2 0.05 1 23 . 3 LYS HD2 H 1.71 0.02 1 24 . 3 LYS HD3 H 1.71 0.02 1 25 . 3 LYS CE C 41.0 0.05 1 26 . 3 LYS HE2 H 3.05 0.02 1 27 . 3 LYS HE3 H 3.05 0.02 1 28 . 4 ASP N N 121.3 0.05 1 29 . 4 ASP H H 8.42 0.02 1 30 . 4 ASP CA C 54.6 0.05 1 31 . 4 ASP HA H 4.65 0.02 1 32 . 4 ASP CB C 41.1 0.05 1 33 . 4 ASP HB2 H 2.77 0.02 2 34 . 4 ASP HB3 H 2.68 0.02 2 35 . 5 GLU N N 121.3 0.05 1 36 . 5 GLU H H 8.29 0.02 1 37 . 5 GLU CA C 56.7 0.05 1 38 . 5 GLU HA H 4.34 0.02 1 39 . 5 GLU CB C 30.6 0.05 1 40 . 5 GLU HB2 H 2.15 0.02 2 41 . 5 GLU HB3 H 2.00 0.02 2 42 . 5 GLU CG C 36.2 0.05 1 43 . 5 GLU HG2 H 2.32 0.02 1 44 . 5 GLU HG3 H 2.32 0.02 1 45 . 6 ALA N N 124.8 0.05 1 46 . 6 ALA H H 8.40 0.02 1 47 . 6 ALA CA C 53.1 0.05 1 48 . 6 ALA HA H 4.39 0.02 1 49 . 6 ALA HB H 1.48 0.02 1 50 . 6 ALA CB C 19.2 0.05 1 51 . 7 GLY N N 108.0 0.05 1 52 . 7 GLY H H 8.43 0.02 1 53 . 7 GLY CA C 45.6 0.05 1 54 . 7 GLY HA2 H 4.05 0.02 1 55 . 7 GLY HA3 H 4.05 0.02 1 56 . 8 GLY N N 108.8 0.05 1 57 . 8 GLY H H 8.36 0.02 1 58 . 8 GLY CA C 46.3 0.05 1 59 . 8 GLY HA2 H 4.05 0.02 1 60 . 8 GLY HA3 H 4.05 0.02 1 61 . 9 ASN N N 120.1 0.05 1 62 . 9 ASN H H 8.87 0.02 1 63 . 9 ASN CA C 54.1 0.05 1 64 . 9 ASN HA H 4.94 0.02 1 65 . 9 ASN CB C 38.6 0.05 1 66 . 9 ASN HB2 H 3.03 0.02 1 67 . 9 ASN HB3 H 3.03 0.02 1 68 . 10 TRP N N 122.7 0.05 1 69 . 10 TRP H H 8.54 0.02 1 70 . 10 TRP CA C 59.8 0.05 1 71 . 10 TRP HA H 4.66 0.02 1 72 . 10 TRP CB C 29.7 0.05 1 73 . 10 TRP HB2 H 3.52 0.02 2 74 . 10 TRP HB3 H 3.28 0.02 2 75 . 11 LYS N N 117.4 0.05 1 76 . 11 LYS H H 8.20 0.02 1 77 . 11 LYS CA C 60.4 0.05 1 78 . 11 LYS HA H 3.72 0.02 1 79 . 11 LYS CB C 32.0 0.05 1 80 . 11 LYS HB2 H 1.90 0.02 1 81 . 11 LYS HB3 H 1.90 0.02 1 82 . 11 LYS CG C 25.5 0.05 1 83 . 11 LYS HG2 H 1.47 0.02 2 84 . 11 LYS HG3 H 1.40 0.02 2 85 . 11 LYS CD C 29.4 0.05 1 86 . 11 LYS HD2 H 1.75 0.02 1 87 . 11 LYS HD3 H 1.75 0.02 1 88 . 11 LYS CE C 42.1 0.05 1 89 . 11 LYS HE2 H 3.06 0.02 1 90 . 11 LYS HE3 H 3.06 0.02 1 91 . 12 GLN N N 115.8 0.05 1 92 . 12 GLN H H 7.77 0.02 1 93 . 12 GLN CA C 57.4 0.05 1 94 . 12 GLN HA H 4.22 0.02 1 95 . 12 GLN CB C 28.9 0.05 1 96 . 12 GLN HB2 H 2.20 0.02 2 97 . 12 GLN HB3 H 2.11 0.02 2 98 . 12 GLN CG C 34.1 0.05 1 99 . 12 GLN HG2 H 2.35 0.02 1 100 . 12 GLN HG3 H 2.35 0.02 1 101 . 13 PHE N N 118.0 0.05 1 102 . 13 PHE H H 8.04 0.02 1 103 . 13 PHE CA C 59.9 0.05 1 104 . 13 PHE HA H 4.43 0.02 1 105 . 13 PHE CB C 40.6 0.05 1 106 . 13 PHE HB2 H 3.13 0.02 2 107 . 13 PHE HB3 H 2.89 0.02 2 108 . 14 LYS N N 121.3 0.05 1 109 . 14 LYS H H 7.89 0.02 1 110 . 14 LYS CA C 60.2 0.05 1 111 . 14 LYS HA H 3.23 0.02 1 112 . 14 LYS CB C 31.6 0.05 1 113 . 14 LYS HB2 H 1.32 0.02 2 114 . 14 LYS HB3 H 1.07 0.02 2 115 . 14 LYS CG C 24.4 0.05 1 116 . 14 LYS HG2 H 1.22 0.02 2 117 . 14 LYS HG3 H 1.09 0.02 2 118 . 14 LYS CD C 30.1 0.05 1 119 . 14 LYS HD2 H 1.55 0.02 1 120 . 14 LYS HD3 H 1.55 0.02 1 121 . 14 LYS CE C 41.9 0.05 1 122 . 14 LYS HE2 H 2.93 0.02 1 123 . 14 LYS HE3 H 2.93 0.02 1 124 . 15 GLY N N 106.6 0.05 1 125 . 15 GLY H H 8.34 0.02 1 126 . 15 GLY CA C 46.8 0.05 1 127 . 15 GLY HA2 H 3.88 0.02 2 128 . 15 GLY HA3 H 3.80 0.02 2 129 . 16 LYS N N 121.1 0.05 1 130 . 16 LYS H H 7.65 0.02 1 131 . 16 LYS CA C 58.3 0.05 1 132 . 16 LYS HA H 4.29 0.02 1 133 . 16 LYS CB C 32.7 0.05 1 134 . 16 LYS HB2 H 2.30 0.02 2 135 . 16 LYS HB3 H 2.18 0.02 2 136 . 16 LYS CG C 25.6 0.05 1 137 . 16 LYS HG2 H 1.62 0.02 1 138 . 16 LYS HG3 H 1.62 0.02 1 139 . 16 LYS CD C 28.8 0.05 1 140 . 16 LYS HD2 H 1.70 0.02 2 141 . 16 LYS HD3 H 1.58 0.02 2 142 . 16 LYS CE C 42.0 0.05 1 143 . 16 LYS HE2 H 2.96 0.02 1 144 . 16 LYS HE3 H 2.96 0.02 1 145 . 17 VAL N N 123.6 0.05 1 146 . 17 VAL H H 8.12 0.02 1 147 . 17 VAL CA C 66.8 0.05 1 148 . 17 VAL HA H 3.54 0.02 1 149 . 17 VAL CB C 31.6 0.05 1 150 . 17 VAL HB H 2.26 0.02 1 151 . 17 VAL HG1 H 0.70 0.02 2 152 . 17 VAL HG2 H 1.02 0.02 2 153 . 17 VAL CG1 C 23.8 0.05 1 154 . 17 VAL CG2 C 23.0 0.05 1 155 . 18 LYS N N 119.5 0.05 1 156 . 18 LYS H H 7.80 0.02 1 157 . 18 LYS CA C 58.4 0.05 1 158 . 18 LYS HA H 4.02 0.02 1 159 . 18 LYS CB C 32.4 0.05 1 160 . 18 LYS HB2 H 1.97 0.02 2 161 . 18 LYS HB3 H 1.85 0.02 2 162 . 18 LYS CG C 25.5 0.05 1 163 . 18 LYS HG2 H 1.62 0.02 2 164 . 18 LYS HG3 H 1.54 0.02 2 165 . 18 LYS CD C 29.0 0.05 1 166 . 18 LYS HD2 H 1.62 0.02 1 167 . 18 LYS HD3 H 1.62 0.02 1 168 . 18 LYS CE C 42.2 0.05 1 169 . 18 LYS HE2 H 2.99 0.02 1 170 . 18 LYS HE3 H 2.99 0.02 1 171 . 19 GLU N N 115.6 0.05 1 172 . 19 GLU H H 7.66 0.02 1 173 . 19 GLU CA C 58.5 0.05 1 174 . 19 GLU HA H 3.93 0.02 1 175 . 19 GLU CB C 30.4 0.05 1 176 . 19 GLU HB2 H 2.13 0.02 2 177 . 19 GLU HB3 H 2.04 0.02 2 178 . 19 GLU CG C 36.2 0.05 1 179 . 19 GLU HG2 H 2.41 0.02 2 180 . 19 GLU HG3 H 2.24 0.02 2 181 . 20 GLN N N 118.5 0.05 1 182 . 20 GLN H H 7.19 0.02 1 183 . 20 GLN CA C 57.1 0.05 1 184 . 20 GLN HA H 3.77 0.02 1 185 . 20 GLN CB C 28.4 0.05 1 186 . 20 GLN HB2 H 1.82 0.02 2 187 . 20 GLN HB3 H 1.14 0.02 2 188 . 20 GLN CG C 30.4 0.05 1 189 . 20 GLN HG2 H 0.49 0.02 2 190 . 20 GLN HG3 H 0.10 0.02 2 191 . 21 TRP N N 119.5 0.05 1 192 . 21 TRP H H 8.11 0.02 1 193 . 21 TRP CA C 57.9 0.05 1 194 . 21 TRP HA H 5.08 0.02 1 195 . 21 TRP CB C 27.4 0.05 1 196 . 21 TRP HB2 H 3.26 0.02 2 197 . 21 TRP HB3 H 3.22 0.02 2 198 . 22 GLY N N 107.9 0.05 1 199 . 22 GLY H H 7.98 0.02 1 200 . 22 GLY CA C 47.3 0.05 1 201 . 22 GLY HA2 H 4.32 0.02 2 202 . 22 GLY HA3 H 3.91 0.02 2 203 . 23 LYS N N 116.1 0.05 1 204 . 23 LYS H H 7.87 0.02 1 205 . 23 LYS CA C 57.0 0.05 1 206 . 23 LYS HA H 4.22 0.02 1 207 . 23 LYS CB C 33.3 0.05 1 208 . 23 LYS HB2 H 1.60 0.02 2 209 . 23 LYS HB3 H 1.08 0.02 2 210 . 23 LYS CG C 26.0 0.05 1 211 . 23 LYS HG2 H 1.26 0.02 1 212 . 23 LYS HG3 H 1.26 0.02 1 213 . 23 LYS CD C 28.9 0.05 1 214 . 23 LYS HD2 H 1.10 0.02 2 215 . 23 LYS HD3 H 0.60 0.02 2 216 . 23 LYS CE C 42.0 0.05 1 217 . 23 LYS HE2 H 2.82 0.02 1 218 . 23 LYS HE3 H 2.82 0.02 1 219 . 24 LEU N N 117.7 0.05 1 220 . 24 LEU H H 7.90 0.02 1 221 . 24 LEU CA C 55.2 0.05 1 222 . 24 LEU HA H 4.68 0.02 1 223 . 24 LEU CB C 41.5 0.05 1 224 . 24 LEU HB2 H 2.15 0.02 2 225 . 24 LEU HB3 H 1.39 0.02 2 226 . 24 LEU CG C 28.1 0.05 1 227 . 24 LEU HG H 2.06 0.02 1 228 . 24 LEU HD1 H 0.86 0.02 2 229 . 24 LEU HD2 H 0.71 0.02 2 230 . 24 LEU CD1 C 26.8 0.05 1 231 . 24 LEU CD2 C 23.6 0.05 1 232 . 25 THR N N 115.0 0.05 1 233 . 25 THR H H 9.25 0.02 1 234 . 25 THR CA C 59.9 0.05 1 235 . 25 THR HA H 4.56 0.02 1 236 . 25 THR CB C 72.0 0.05 1 237 . 25 THR HB H 4.77 0.02 1 238 . 25 THR HG2 H 1.30 0.02 1 239 . 25 THR CG2 C 21.4 0.05 1 240 . 26 ASP N N 120.4 0.05 1 241 . 26 ASP H H 8.89 0.02 1 242 . 26 ASP CA C 58.4 0.05 1 243 . 26 ASP HA H 4.44 0.02 1 244 . 26 ASP CB C 40.0 0.05 1 245 . 26 ASP HB2 H 2.74 0.02 2 246 . 26 ASP HB3 H 2.67 0.02 2 247 . 27 ASP N N 119.8 0.05 1 248 . 27 ASP H H 8.26 0.02 1 249 . 27 ASP CA C 57.4 0.05 1 250 . 27 ASP HA H 4.50 0.02 1 251 . 27 ASP CB C 40.5 0.05 1 252 . 27 ASP HB2 H 2.66 0.02 2 253 . 27 ASP HB3 H 2.59 0.02 2 254 . 28 ASP N N 121.5 0.05 1 255 . 28 ASP H H 8.07 0.02 1 256 . 28 ASP CA C 57.9 0.05 1 257 . 28 ASP HA H 4.24 0.02 1 258 . 28 ASP CB C 40.8 0.05 1 259 . 28 ASP HB2 H 3.41 0.02 2 260 . 28 ASP HB3 H 2.30 0.02 2 261 . 29 MET N N 115.6 0.05 1 262 . 29 MET H H 8.10 0.02 1 263 . 29 MET CA C 57.6 0.05 1 264 . 29 MET HA H 4.57 0.02 1 265 . 29 MET CB C 30.8 0.05 1 266 . 29 MET HB2 H 2.63 0.02 2 267 . 29 MET HB3 H 2.15 0.02 2 268 . 29 MET CG C 31.8 0.05 1 269 . 29 MET HG2 H 2.84 0.02 1 270 . 29 MET HG3 H 2.84 0.02 1 271 . 29 MET HE H 2.07 0.02 1 272 . 29 MET CE C 17.2 0.05 1 273 . 30 THR N N 117.2 0.05 1 274 . 30 THR H H 8.04 0.02 1 275 . 30 THR CA C 65.7 0.05 1 276 . 30 THR HA H 4.23 0.02 1 277 . 30 THR CB C 69.0 0.05 1 278 . 30 THR HB H 4.49 0.02 1 279 . 30 THR HG2 H 1.36 0.02 1 280 . 30 THR CG2 C 22.3 0.05 1 281 . 31 ILE N N 121.7 0.05 1 282 . 31 ILE H H 7.66 0.02 1 283 . 31 ILE CA C 63.1 0.05 1 284 . 31 ILE HA H 3.97 0.02 1 285 . 31 ILE CB C 38.4 0.05 1 286 . 31 ILE HB H 2.04 0.02 1 287 . 31 ILE HG2 H 0.94 0.02 1 288 . 31 ILE CG2 C 17.4 0.05 1 289 . 31 ILE CG1 C 28.9 0.05 1 290 . 31 ILE HG12 H 1.65 0.02 2 291 . 31 ILE HG13 H 1.34 0.02 2 292 . 31 ILE HD1 H 0.87 0.02 1 293 . 31 ILE CD1 C 13.1 0.05 1 294 . 32 ILE N N 119.2 0.05 1 295 . 32 ILE H H 8.13 0.02 1 296 . 32 ILE CA C 64.8 0.05 1 297 . 32 ILE HA H 3.49 0.02 1 298 . 32 ILE CB C 39.1 0.05 1 299 . 32 ILE HB H 1.89 0.02 1 300 . 32 ILE HG2 H 0.77 0.02 1 301 . 32 ILE CG2 C 18.0 0.05 1 302 . 32 ILE CG1 C 29.3 0.05 1 303 . 32 ILE HG12 H 0.65 0.02 1 304 . 32 ILE HG13 H 0.65 0.02 1 305 . 32 ILE HD1 H 0.93 0.02 1 306 . 32 ILE CD1 C 14.9 0.05 1 307 . 33 GLU N N 113.2 0.05 1 308 . 33 GLU H H 7.37 0.02 1 309 . 33 GLU CA C 56.6 0.05 1 310 . 33 GLU HA H 3.47 0.02 1 311 . 33 GLU CB C 29.4 0.05 1 312 . 33 GLU HB2 H 2.12 0.02 2 313 . 33 GLU HB3 H 1.88 0.02 2 314 . 33 GLU CG C 37.0 0.05 1 315 . 33 GLU HG2 H 2.31 0.02 1 316 . 33 GLU HG3 H 2.31 0.02 1 317 . 34 GLY CA C 46.3 0.05 1 318 . 34 GLY HA2 H 3.57 0.02 2 319 . 34 GLY HA3 H 2.74 0.02 2 320 . 35 LYS N N 120.6 0.05 1 321 . 35 LYS H H 7.78 0.02 1 322 . 35 LYS CA C 55.0 0.05 1 323 . 35 LYS HA H 4.59 0.02 1 324 . 35 LYS CB C 32.3 0.05 1 325 . 35 LYS HB2 H 1.95 0.02 2 326 . 35 LYS HB3 H 1.86 0.02 2 327 . 35 LYS CG C 24.4 0.05 1 328 . 35 LYS HG2 H 1.45 0.02 1 329 . 35 LYS HG3 H 1.45 0.02 1 330 . 35 LYS CD C 29.0 0.05 1 331 . 35 LYS HD2 H 1.77 0.02 2 332 . 35 LYS HD3 H 1.69 0.02 2 333 . 35 LYS CE C 42.2 0.05 1 334 . 35 LYS HE2 H 3.02 0.02 1 335 . 35 LYS HE3 H 3.02 0.02 1 336 . 36 ARG N N 130.1 0.05 1 337 . 36 ARG H H 8.59 0.02 1 338 . 36 ARG CA C 59.9 0.05 1 339 . 36 ARG HA H 2.60 0.02 1 340 . 36 ARG CB C 30.3 0.05 1 341 . 36 ARG HB2 H 1.09 0.02 2 342 . 36 ARG HB3 H 0.25 0.02 2 343 . 36 ARG CG C 27.6 0.05 1 344 . 36 ARG HG2 H 1.32 0.02 2 345 . 36 ARG HG3 H 0.27 0.02 2 346 . 36 ARG CD C 42.6 0.05 1 347 . 36 ARG HD2 H 2.78 0.02 2 348 . 36 ARG HD3 H 2.15 0.02 2 349 . 37 ASP N N 114.2 0.05 1 350 . 37 ASP H H 8.69 0.02 1 351 . 37 ASP CA C 56.6 0.05 1 352 . 37 ASP HA H 4.13 0.02 1 353 . 37 ASP CB C 39.3 0.05 1 354 . 37 ASP HB2 H 2.61 0.02 2 355 . 37 ASP HB3 H 2.52 0.02 2 356 . 38 GLN N N 118.3 0.05 1 357 . 38 GLN H H 7.07 0.02 1 358 . 38 GLN CA C 57.0 0.05 1 359 . 38 GLN HA H 4.15 0.02 1 360 . 38 GLN CB C 29.0 0.05 1 361 . 38 GLN HB2 H 2.29 0.02 2 362 . 38 GLN HB3 H 2.02 0.02 2 363 . 38 GLN CG C 33.7 0.05 1 364 . 38 GLN HG2 H 2.44 0.02 2 365 . 38 GLN HG3 H 2.31 0.02 2 366 . 39 LEU N N 123.0 0.05 1 367 . 39 LEU H H 7.60 0.02 1 368 . 39 LEU CA C 58.6 0.05 1 369 . 39 LEU HA H 3.91 0.02 1 370 . 39 LEU CB C 40.5 0.05 1 371 . 39 LEU HB2 H 2.02 0.02 2 372 . 39 LEU HB3 H 1.20 0.02 2 373 . 39 LEU CG C 26.9 0.05 1 374 . 39 LEU HG H 1.02 0.02 1 375 . 39 LEU HD1 H 0.77 0.02 2 376 . 39 LEU HD2 H 0.51 0.02 2 377 . 39 LEU CD1 C 26.9 0.05 1 378 . 39 LEU CD2 C 23.6 0.05 1 379 . 40 VAL N N 117.4 0.05 1 380 . 40 VAL H H 7.97 0.02 1 381 . 40 VAL CA C 67.5 0.05 1 382 . 40 VAL HA H 3.09 0.02 1 383 . 40 VAL CB C 32.0 0.05 1 384 . 40 VAL HB H 1.98 0.02 1 385 . 40 VAL CG1 C 22.8 0.05 1 386 . 40 VAL HG1 H 0.88 0.02 1 387 . 40 VAL HG2 H 0.88 0.02 1 388 . 41 GLY N N 103.4 0.05 1 389 . 41 GLY H H 7.73 0.02 1 390 . 41 GLY CA C 47.3 0.05 1 391 . 41 GLY HA2 H 3.93 0.02 2 392 . 41 GLY HA3 H 3.87 0.02 2 393 . 42 LYS N N 122.5 0.05 1 394 . 42 LYS H H 8.24 0.02 1 395 . 42 LYS CA C 57.0 0.05 1 396 . 42 LYS HA H 4.27 0.02 1 397 . 42 LYS CB C 31.8 0.05 1 398 . 42 LYS HB2 H 2.07 0.02 2 399 . 42 LYS HB3 H 1.52 0.02 2 400 . 42 LYS CG C 25.1 0.05 1 401 . 42 LYS HG2 H 1.51 0.02 2 402 . 42 LYS HG3 H 1.28 0.02 2 403 . 42 LYS CD C 28.1 0.05 1 404 . 42 LYS HD2 H 1.89 0.02 2 405 . 42 LYS HD3 H 1.42 0.02 2 406 . 42 LYS CE C 42.0 0.05 1 407 . 42 LYS HE2 H 2.96 0.02 2 408 . 42 LYS HE3 H 2.73 0.02 2 409 . 43 ILE N N 121.5 0.05 1 410 . 43 ILE H H 8.35 0.02 1 411 . 43 ILE CA C 65.9 0.05 1 412 . 43 ILE HA H 3.58 0.02 1 413 . 43 ILE CB C 38.1 0.05 1 414 . 43 ILE HB H 1.62 0.02 1 415 . 43 ILE HG2 H 0.60 0.02 1 416 . 43 ILE CG2 C 17.2 0.05 1 417 . 43 ILE CG1 C 29.3 0.05 1 418 . 43 ILE HG12 H 1.12 0.02 2 419 . 43 ILE HG13 H -0.12 0.02 2 420 . 43 ILE HD1 H -0.61 0.02 1 421 . 43 ILE CD1 C 13.9 0.05 1 422 . 44 GLN N N 118.0 0.05 1 423 . 44 GLN H H 8.11 0.02 1 424 . 44 GLN CA C 61.3 0.05 1 425 . 44 GLN HA H 3.92 0.02 1 426 . 44 GLN CB C 30.7 0.05 1 427 . 44 GLN HB2 H 2.39 0.02 2 428 . 44 GLN HB3 H 2.25 0.02 2 429 . 44 GLN CG C 35.7 0.05 1 430 . 44 GLN HG2 H 2.40 0.02 2 431 . 44 GLN HG3 H 2.14 0.02 2 432 . 45 GLU N N 118.3 0.05 1 433 . 45 GLU H H 7.93 0.02 1 434 . 45 GLU CA C 59.4 0.05 1 435 . 45 GLU HA H 3.99 0.02 1 436 . 45 GLU CB C 31.1 0.05 1 437 . 45 GLU HB2 H 2.14 0.02 2 438 . 45 GLU HB3 H 2.06 0.02 2 439 . 45 GLU CG C 35.6 0.05 1 440 . 45 GLU HG2 H 2.38 0.02 2 441 . 45 GLU HG3 H 2.04 0.02 2 442 . 46 ARG N N 114.7 0.05 1 443 . 46 ARG H H 8.69 0.02 1 444 . 46 ARG CA C 56.3 0.05 1 445 . 46 ARG HA H 4.10 0.02 1 446 . 46 ARG CB C 29.9 0.05 1 447 . 46 ARG HB2 H 1.83 0.02 2 448 . 46 ARG HB3 H 1.34 0.02 2 449 . 46 ARG CG C 27.0 0.05 1 450 . 46 ARG HG2 H 1.69 0.02 1 451 . 46 ARG HG3 H 1.69 0.02 1 452 . 46 ARG CD C 42.0 0.05 1 453 . 46 ARG HD2 H 3.11 0.02 2 454 . 46 ARG HD3 H 3.03 0.02 2 455 . 47 TYR N N 113.3 0.05 1 456 . 47 TYR H H 8.29 0.02 1 457 . 47 TYR CA C 59.0 0.05 1 458 . 47 TYR HA H 4.04 0.02 1 459 . 47 TYR CB C 36.2 0.05 1 460 . 47 TYR HB2 H 2.09 0.02 2 461 . 47 TYR HB3 H 1.77 0.02 2 462 . 48 GLY N N 109.7 0.05 1 463 . 48 GLY H H 7.67 0.02 1 464 . 48 GLY CA C 46.4 0.05 1 465 . 48 GLY HA2 H 4.03 0.02 2 466 . 48 GLY HA3 H 3.99 0.02 2 467 . 49 TYR N N 116.5 0.05 1 468 . 49 TYR H H 6.80 0.02 1 469 . 49 TYR CA C 53.1 0.05 1 470 . 49 TYR HA H 5.07 0.02 1 471 . 49 TYR CB C 40.4 0.05 1 472 . 49 TYR HB2 H 3.60 0.02 2 473 . 49 TYR HB3 H 2.59 0.02 2 474 . 50 GLN N N 118.8 0.05 1 475 . 50 GLN H H 8.82 0.02 1 476 . 50 GLN CA C 55.5 0.05 1 477 . 50 GLN HA H 4.49 0.02 1 478 . 50 GLN CB C 29.3 0.05 1 479 . 50 GLN HB2 H 2.47 0.02 2 480 . 50 GLN HB3 H 2.13 0.02 2 481 . 50 GLN CG C 34.2 0.05 1 482 . 50 GLN HG2 H 2.63 0.02 1 483 . 50 GLN HG3 H 2.63 0.02 1 484 . 51 LYS N N 124.2 0.05 1 485 . 51 LYS H H 8.91 0.02 1 486 . 51 LYS CA C 61.1 0.05 1 487 . 51 LYS HA H 3.58 0.02 1 488 . 51 LYS CB C 32.4 0.05 1 489 . 51 LYS HB2 H 1.85 0.02 1 490 . 51 LYS HB3 H 1.85 0.02 1 491 . 51 LYS CG C 25.0 0.05 1 492 . 51 LYS HG2 H 1.43 0.02 2 493 . 51 LYS HG3 H 1.32 0.02 2 494 . 51 LYS CD C 29.5 0.05 1 495 . 51 LYS HD2 H 1.69 0.02 1 496 . 51 LYS HD3 H 1.69 0.02 1 497 . 51 LYS CE C 42.1 0.05 1 498 . 51 LYS HE2 H 2.98 0.02 1 499 . 51 LYS HE3 H 2.98 0.02 1 500 . 52 ASP N N 115.0 0.05 1 501 . 52 ASP H H 8.61 0.02 1 502 . 52 ASP CA C 57.0 0.05 1 503 . 52 ASP HA H 4.33 0.02 1 504 . 52 ASP CB C 39.5 0.05 1 505 . 52 ASP HB2 H 2.68 0.02 2 506 . 52 ASP HB3 H 2.64 0.02 2 507 . 53 GLN N N 120.9 0.05 1 508 . 53 GLN H H 7.32 0.02 1 509 . 53 GLN CA C 58.0 0.05 1 510 . 53 GLN HA H 4.01 0.02 1 511 . 53 GLN CB C 28.2 0.05 1 512 . 53 GLN HB2 H 2.05 0.02 2 513 . 53 GLN HB3 H 1.66 0.02 2 514 . 53 GLN CG C 32.6 0.05 1 515 . 53 GLN HG2 H 2.06 0.02 2 516 . 53 GLN HG3 H 1.75 0.02 2 517 . 54 ALA N N 121.3 0.05 1 518 . 54 ALA H H 7.79 0.02 1 519 . 54 ALA CA C 55.8 0.05 1 520 . 54 ALA HA H 3.98 0.02 1 521 . 54 ALA HB H 1.49 0.02 1 522 . 54 ALA CB C 20.1 0.05 1 523 . 55 GLU N N 116.8 0.05 1 524 . 55 GLU H H 8.77 0.02 1 525 . 55 GLU CA C 59.7 0.05 1 526 . 55 GLU HA H 3.93 0.02 1 527 . 55 GLU CB C 29.3 0.05 1 528 . 55 GLU HB2 H 2.13 0.02 2 529 . 55 GLU HB3 H 2.06 0.02 2 530 . 55 GLU CG C 35.7 0.05 1 531 . 55 GLU HG2 H 2.33 0.02 2 532 . 55 GLU HG3 H 2.26 0.02 2 533 . 56 LYS N N 118.0 0.05 1 534 . 56 LYS H H 7.70 0.02 1 535 . 56 LYS CA C 60.0 0.05 1 536 . 56 LYS HA H 4.04 0.02 1 537 . 56 LYS CB C 32.3 0.05 1 538 . 56 LYS HB2 H 2.00 0.02 2 539 . 56 LYS HB3 H 1.84 0.02 2 540 . 56 LYS CG C 25.4 0.05 1 541 . 56 LYS HG2 H 1.63 0.02 2 542 . 56 LYS HG3 H 1.52 0.02 2 543 . 56 LYS CD C 29.1 0.05 1 544 . 56 LYS HD2 H 1.72 0.02 2 545 . 56 LYS HD3 H 1.59 0.02 2 546 . 56 LYS CE C 42.4 0.05 1 547 . 56 LYS HE2 H 3.03 0.02 1 548 . 56 LYS HE3 H 3.03 0.02 1 549 . 57 GLU N N 117.6 0.05 1 550 . 57 GLU H H 7.86 0.02 1 551 . 57 GLU CA C 60.3 0.05 1 552 . 57 GLU HA H 4.37 0.02 1 553 . 57 GLU CB C 29.3 0.05 1 554 . 57 GLU HB2 H 2.69 0.02 2 555 . 57 GLU HB3 H 2.51 0.02 2 556 . 57 GLU CG C 36.8 0.05 1 557 . 57 GLU HG2 H 2.73 0.02 2 558 . 57 GLU HG3 H 2.41 0.02 2 559 . 58 VAL N N 123.0 0.05 1 560 . 58 VAL H H 8.21 0.02 1 561 . 58 VAL CA C 68.2 0.05 1 562 . 58 VAL HA H 4.22 0.02 1 563 . 58 VAL CB C 31.5 0.05 1 564 . 58 VAL HB H 2.20 0.02 1 565 . 58 VAL HG1 H 0.77 0.02 2 566 . 58 VAL HG2 H 1.13 0.02 2 567 . 58 VAL CG1 C 24.8 0.05 1 568 . 58 VAL CG2 C 22.7 0.05 1 569 . 59 VAL N N 122.2 0.05 1 570 . 59 VAL H H 9.05 0.02 1 571 . 59 VAL CA C 65.9 0.05 1 572 . 59 VAL HA H 4.41 0.02 1 573 . 59 VAL CB C 31.9 0.05 1 574 . 59 VAL HB H 2.29 0.02 1 575 . 59 VAL HG1 H 1.14 0.02 2 576 . 59 VAL HG2 H 1.08 0.02 2 577 . 59 VAL CG1 C 23.6 0.05 1 578 . 59 VAL CG2 C 21.2 0.05 1 579 . 60 ASP N N 121.7 0.05 1 580 . 60 ASP H H 8.43 0.02 1 581 . 60 ASP CA C 58.0 0.05 1 582 . 60 ASP HA H 4.51 0.02 1 583 . 60 ASP CB C 41.1 0.05 1 584 . 60 ASP HB2 H 2.96 0.02 2 585 . 60 ASP HB3 H 2.88 0.02 2 586 . 61 TRP N N 121.5 0.05 1 587 . 61 TRP H H 8.32 0.02 1 588 . 61 TRP CA C 62.9 0.05 1 589 . 61 TRP HA H 4.09 0.02 1 590 . 61 TRP CB C 30.5 0.05 1 591 . 61 TRP HB2 H 4.00 0.02 2 592 . 61 TRP HB3 H 3.42 0.02 2 593 . 62 GLU N N 121.7 0.05 1 594 . 62 GLU H H 10.21 0.02 1 595 . 62 GLU CA C 59.2 0.05 1 596 . 62 GLU HA H 3.94 0.02 1 597 . 62 GLU CB C 28.4 0.05 1 598 . 62 GLU HB2 H 2.83 0.02 2 599 . 62 GLU HB3 H 2.60 0.02 2 600 . 62 GLU CG C 35.9 0.05 1 601 . 62 GLU HG2 H 3.37 0.02 2 602 . 62 GLU HG3 H 2.81 0.02 2 603 . 63 THR N N 116.2 0.05 1 604 . 63 THR H H 8.23 0.02 1 605 . 63 THR CA C 65.8 0.05 1 606 . 63 THR HA H 4.16 0.02 1 607 . 63 THR CB C 69.1 0.05 1 608 . 63 THR HB H 4.45 0.02 1 609 . 63 THR HG2 H 1.37 0.02 1 610 . 63 THR CG2 C 20.5 0.05 1 611 . 64 ARG N N 121.3 0.05 1 612 . 64 ARG H H 7.85 0.02 1 613 . 64 ARG CA C 58.9 0.05 1 614 . 64 ARG HA H 4.15 0.02 1 615 . 64 ARG CB C 30.7 0.05 1 616 . 64 ARG HB2 H 1.79 0.02 1 617 . 64 ARG HB3 H 1.79 0.02 1 618 . 64 ARG CG C 27.8 0.05 1 619 . 64 ARG HG2 H 1.71 0.02 2 620 . 64 ARG HG3 H 1.60 0.02 2 621 . 64 ARG CD C 43.3 0.05 1 622 . 64 ARG HD2 H 3.24 0.02 2 623 . 64 ARG HD3 H 3.19 0.02 2 624 . 65 ASN N N 113.6 0.05 1 625 . 65 ASN H H 7.46 0.02 1 626 . 65 ASN CA C 53.8 0.05 1 627 . 65 ASN HA H 4.49 0.02 1 628 . 65 ASN CB C 39.3 0.05 1 629 . 65 ASN HB2 H 2.05 0.02 2 630 . 65 ASN HB3 H 1.34 0.02 2 631 . 66 GLU N N 119.2 0.05 1 632 . 66 GLU H H 7.69 0.02 1 633 . 66 GLU CA C 56.6 0.05 1 634 . 66 GLU HA H 3.88 0.02 1 635 . 66 GLU CB C 27.5 0.05 1 636 . 66 GLU HB2 H 2.10 0.02 2 637 . 66 GLU HB3 H 2.02 0.02 2 638 . 66 GLU CG C 36.6 0.05 1 639 . 66 GLU HG2 H 2.18 0.02 2 640 . 66 GLU HG3 H 2.15 0.02 2 641 . 67 TYR N N 119.8 0.05 1 642 . 67 TYR H H 7.80 0.02 1 643 . 67 TYR CA C 58.5 0.05 1 644 . 67 TYR HA H 3.94 0.02 1 645 . 67 TYR CB C 40.1 0.05 1 646 . 67 TYR HB2 H 2.08 0.02 2 647 . 67 TYR HB3 H 1.78 0.02 2 648 . 68 ARG N N 126.3 0.05 1 649 . 68 ARG H H 7.32 0.02 1 650 . 68 ARG CA C 54.2 0.05 1 651 . 68 ARG HA H 4.37 0.02 1 652 . 68 ARG CB C 30.3 0.05 1 653 . 68 ARG HB2 H 1.68 0.02 2 654 . 68 ARG HB3 H 1.49 0.02 2 655 . 68 ARG CG C 26.5 0.05 1 656 . 68 ARG HG2 H 1.56 0.02 2 657 . 68 ARG HG3 H 1.46 0.02 2 658 . 68 ARG CD C 43.5 0.05 1 659 . 68 ARG HD2 H 3.15 0.02 1 660 . 68 ARG HD3 H 3.15 0.02 1 stop_ save_