data_4394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Translation initiation factor IF3 from Escherichia coli Ribosome binding domain (residues 84-180) ; _BMRB_accession_number 4394 _BMRB_flat_file_name bmr4394.str _Entry_type original _Submission_date 1999-09-09 _Accession_date 1999-09-09 _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 'DE COCK' E. . . 2 GARCIA C. . . 3 DARDEL F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 256 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-11-29 original author . stop_ _Original_release_date 1999-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; DE COCK, E., BLANQUET, S., LALLEMAND, J. -Y., and DARDEL, F., "INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME," in preparation. ; _Citation_title 'INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME' _Citation_status 'in preparation' _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 'DE COCK' E. . . 2 BLANQUET S. . . 3 LALLEMAND J. -Y. . 4 DARDEL F. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'INITIATION FACTOR' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 7490747 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ save_ref_2 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 9054966 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_IF3 _Saveframe_category molecular_system _Mol_system_name 'TRANSLATION INITIATION FACTOR IF3' _Abbreviation_common IF3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IF3 ribosome binding domain' $IF3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; -bacterial translation initiation factor -promotes dissociation of ribosomal subunits -destabilizes non-cognate initiation ternary complexes (tRNA/mRNA/30S) ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IF3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'TRANSLATION INITIATION FACTOR IF3' _Abbreviation_common IF3 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; MEFQKKKQKVIQVKEIKFRP GTDEGDYQVKLRSLIRFLEE GDKAKITLRFRGREMAHQQI GMEVLNRVKDDLQELAVVES FPTKIEGRQMIMVLAPKKKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 PHE 4 84 GLN 5 85 LYS 6 86 LYS 7 87 LYS 8 88 GLN 9 89 LYS 10 90 VAL 11 91 ILE 12 92 GLN 13 93 VAL 14 94 LYS 15 95 GLU 16 96 ILE 17 97 LYS 18 98 PHE 19 99 ARG 20 100 PRO 21 101 GLY 22 102 THR 23 103 ASP 24 104 GLU 25 105 GLY 26 106 ASP 27 107 TYR 28 108 GLN 29 109 VAL 30 110 LYS 31 111 LEU 32 112 ARG 33 113 SER 34 114 LEU 35 115 ILE 36 116 ARG 37 117 PHE 38 118 LEU 39 119 GLU 40 120 GLU 41 121 GLY 42 122 ASP 43 123 LYS 44 124 ALA 45 125 LYS 46 126 ILE 47 126 THR 48 128 LEU 49 129 ARG 50 130 PHE 51 131 ARG 52 132 GLY 53 133 ARG 54 134 GLU 55 135 MET 56 136 ALA 57 137 HIS 58 138 GLN 59 139 GLN 60 140 ILE 61 141 GLY 62 142 MET 63 143 GLU 64 144 VAL 65 145 LEU 66 146 ASN 67 147 ARG 68 148 VAL 69 149 LYS 70 150 ASP 71 151 ASP 72 152 LEU 73 153 GLN 74 154 GLU 75 155 LEU 76 156 ALA 77 157 VAL 78 158 VAL 79 159 GLU 80 160 SER 81 161 PHE 82 162 PRO 83 163 THR 84 164 LYS 85 165 ILE 86 166 GLU 87 167 GLY 88 168 ARG 89 169 GLN 90 170 MET 91 171 ILE 92 172 MET 93 173 VAL 94 174 LEU 95 175 ALA 96 176 PRO 97 177 LYS 98 178 LYS 99 179 LYS 100 180 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2IFE "Translation Initiation Factor If3 From Escherichia Coli Ribosome Binding Domain (Residues 84-180)" 100.00 100 100.00 100.00 5.44e-63 DBJ BAA15485 "protein chain initiation factor IF-3 [Escherichia coli str. K12 substr. W3110]" 97.00 180 100.00 100.00 7.67e-60 DBJ BAB35848 "protein chain initiation factor IF-3 [Escherichia coli O157:H7 str. Sakai]" 97.00 180 100.00 100.00 7.67e-60 DBJ BAG66478 "protein chain initiation factor IF-3 [Escherichia coli O111:H-]" 97.00 144 100.00 100.00 1.85e-60 DBJ BAG77410 "translation initiation factor IF-3 [Escherichia coli SE11]" 97.00 144 100.00 100.00 1.85e-60 DBJ BAH63902 "conserved hypothetical protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 97.00 144 97.94 98.97 9.95e-59 EMBL CAA23561 "unnamed protein product [Escherichia coli]" 97.00 180 100.00 100.00 7.67e-60 EMBL CAD02019 "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 97.00 180 98.97 100.00 1.81e-59 EMBL CAP76214 "Translation initiation factor IF-3 [Escherichia coli LF82]" 97.00 144 100.00 100.00 1.85e-60 EMBL CAQ32193 "protein chain initiation factor IF-3 [Escherichia coli BL21(DE3)]" 97.00 180 100.00 100.00 7.67e-60 EMBL CAR33292 "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 97.00 144 100.00 100.00 1.85e-60 GB AAA51467 "initiation factor 3 [Escherichia coli]" 97.00 180 98.97 98.97 8.10e-59 GB AAC36811 "translation initiation factor IF3 [Klebsiella pneumoniae]" 97.00 180 96.91 98.97 1.06e-57 GB AAC36814 "translation intitiation factor IF3 [Salmonella enterica subsp. enterica serovar Typhimurium]" 97.00 180 100.00 100.00 4.96e-60 GB AAC74788 "translation initiation factor IF-3 [Escherichia coli str. K-12 substr. MG1655]" 97.00 180 100.00 100.00 7.67e-60 GB AAG56705 "Initiation factor IF-3 [Escherichia coli O157:H7 str. EDL933]" 97.00 144 100.00 100.00 1.85e-60 PIR AB0706 "translation initiation factor IF-3 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 97.00 180 98.97 100.00 1.81e-59 PIR E85780 "Initiation factor IF-3 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 97.00 144 100.00 100.00 1.85e-60 REF NP_310452 "translation initiation factor IF-3 [Escherichia coli O157:H7 str. Sakai]" 97.00 180 100.00 100.00 7.67e-60 REF NP_416233 "translation initiation factor IF-3 [Escherichia coli str. K-12 substr. MG1655]" 97.00 180 100.00 100.00 7.67e-60 REF NP_456178 "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 97.00 180 98.97 100.00 1.81e-59 REF NP_460300 "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 97.00 180 100.00 100.00 4.96e-60 REF NP_707396 "translation initiation factor IF-3 [Shigella flexneri 2a str. 301]" 97.00 144 98.97 98.97 1.30e-59 SP B1IPL0 "RecName: Full=Translation initiation factor IF-3" 97.00 180 100.00 100.00 7.67e-60 SP B7USA1 "RecName: Full=Translation initiation factor IF-3" 97.00 180 100.00 100.00 7.67e-60 SP C4ZYI0 "RecName: Full=Translation initiation factor IF-3" 97.00 180 100.00 100.00 7.67e-60 SP P0A707 "RecName: Full=Translation initiation factor IF-3; Contains: RecName: Full=Translation initiation factor IF-3, N-terminally proc" 97.00 180 100.00 100.00 7.67e-60 SP P0A708 "RecName: Full=Translation initiation factor IF-3" 97.00 180 100.00 100.00 7.67e-60 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 _Gene_mnemonic $IF3 'E. coli' 562 Eubacteria . ESCHERICHIA COLI JM83 PTRCINFCC 'INFC CODONS 84-180' 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 $IF3 'recombinant technology' 'ESCHERICHIA COLI' ESCHERICHIA COLI JM83 plasmid pTRC99a 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 $IF3 1.5 mM '[U-98% 13C; U-95% 15N]' 'potassium phosphate' 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF3 1.5 mM '[U-98% 15N]' 'potassium phosphate' 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.0 loop_ _Task 'NMR data processing and graphic display' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C-1H_HCCH-TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNHB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH* 6.5 0.2 n/a pressure 1 . atm temperature 303 0.5 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 . indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . internal . . DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'IF3 ribosome binding domain' _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 . 9 LYS H H 8.56 0.01 1 2 . 9 LYS HA H 4.57 0.01 1 3 . 9 LYS HB2 H 2.07 0.01 2 4 . 9 LYS HB3 H 1.99 0.01 2 5 . 9 LYS HG2 H 1.77 0.01 1 6 . 9 LYS HG3 H 1.77 0.01 1 7 . 9 LYS HD2 H 2.08 0.01 2 8 . 9 LYS HD3 H 2.16 0.01 2 9 . 9 LYS HE2 H 2.52 0.01 1 10 . 9 LYS HE3 H 2.52 0.01 1 11 . 9 LYS CA C 55.90 0.30 1 12 . 9 LYS CB C 32.80 0.30 1 13 . 9 LYS CG C 27.00 0.30 1 14 . 9 LYS CD C 30.40 0.30 1 15 . 9 LYS N N 121.80 0.10 1 16 . 10 VAL H H 8.47 0.01 1 17 . 10 VAL HA H 4.29 0.01 1 18 . 10 VAL HB H 2.14 0.01 1 19 . 10 VAL HG1 H 1.12 0.01 2 20 . 10 VAL HG2 H 1.07 0.01 2 21 . 10 VAL CA C 61.70 0.30 1 22 . 10 VAL CB C 32.50 0.30 1 23 . 10 VAL CG1 C 20.80 0.30 1 24 . 10 VAL CG2 C 20.80 0.30 1 25 . 10 VAL N N 121.80 0.10 1 26 . 11 ILE H H 8.50 0.01 1 27 . 11 ILE HA H 4.30 0.01 1 28 . 11 ILE HB H 2.02 0.01 1 29 . 11 ILE HG12 H 1.79 0.01 2 30 . 11 ILE HG13 H 1.45 0.01 2 31 . 11 ILE HG2 H 1.16 0.01 1 32 . 11 ILE HD1 H 1.06 0.01 1 33 . 11 ILE CA C 61.00 0.30 1 34 . 11 ILE CB C 41.80 0.30 1 35 . 11 ILE CG1 C 27.70 0.30 1 36 . 11 ILE CG2 C 17.00 0.30 1 37 . 11 ILE CD1 C 12.90 0.30 1 38 . 11 ILE N N 125.10 0.10 1 39 . 12 GLN H H 8.92 0.01 1 40 . 12 GLN HA H 4.60 0.01 1 41 . 12 GLN HB2 H 1.96 0.01 1 42 . 12 GLN HB3 H 2.12 0.01 1 43 . 12 GLN HG2 H 2.45 0.01 2 44 . 12 GLN HG3 H 2.41 0.01 2 45 . 12 GLN HE21 H 7.05 0.01 2 46 . 12 GLN HE22 H 7.76 0.01 2 47 . 12 GLN CA C 54.40 0.30 1 48 . 12 GLN CB C 30.80 0.30 1 49 . 12 GLN CG C 33.90 0.30 1 50 . 12 GLN N N 124.50 0.10 1 51 . 12 GLN NE2 N 110.60 0.10 1 52 . 13 VAL H H 8.39 0.01 1 53 . 13 VAL HA H 4.34 0.01 1 54 . 13 VAL HB H 2.04 0.01 1 55 . 13 VAL HG1 H 1.02 0.01 1 56 . 13 VAL HG2 H 0.90 0.01 1 57 . 13 VAL CA C 61.00 0.30 1 58 . 13 VAL CB C 31.80 0.30 1 59 . 13 VAL CG1 C 20.50 0.30 1 60 . 13 VAL CG2 C 21.80 0.30 1 61 . 13 VAL N N 118.70 0.10 1 62 . 14 LYS H H 8.56 0.01 1 63 . 14 LYS HA H 4.42 0.01 1 64 . 14 LYS HB2 H 1.20 0.01 1 65 . 14 LYS HB3 H 0.80 0.01 1 66 . 14 LYS HG2 H 0.94 0.01 1 67 . 14 LYS HG3 H 0.94 0.01 1 68 . 14 LYS HD2 H 1.29 0.01 2 69 . 14 LYS HD3 H 1.08 0.01 2 70 . 14 LYS HE2 H 2.75 0.01 1 71 . 14 LYS HE3 H 2.75 0.01 1 72 . 14 LYS CA C 53.80 0.30 1 73 . 14 LYS CB C 32.80 0.30 1 74 . 14 LYS CG C 23.90 0.30 1 75 . 14 LYS CD C 27.30 0.30 1 76 . 14 LYS CE C 41.40 0.30 1 77 . 14 LYS N N 126.10 0.10 1 78 . 15 GLU H H 8.47 0.01 1 79 . 15 GLU HA H 5.66 0.01 1 80 . 15 GLU HB2 H 1.98 0.01 1 81 . 15 GLU HB3 H 2.15 0.01 1 82 . 15 GLU HG2 H 2.35 0.01 1 83 . 15 GLU HG3 H 2.35 0.01 1 84 . 15 GLU CA C 54.80 0.30 1 85 . 15 GLU CB C 32.80 0.30 1 86 . 15 GLU CG C 36.60 0.30 1 87 . 15 GLU N N 119.30 0.10 1 88 . 16 ILE H H 8.87 0.01 1 89 . 16 ILE HA H 4.63 0.01 1 90 . 16 ILE HB H 2.00 0.01 1 91 . 16 ILE HG12 H 1.67 0.01 2 92 . 16 ILE HG13 H 1.49 0.01 2 93 . 16 ILE HG2 H 0.97 0.01 1 94 . 16 ILE HD1 H 1.05 0.01 1 95 . 16 ILE CA C 59.00 0.30 1 96 . 16 ILE CB C 41.10 0.30 1 97 . 16 ILE CG1 C 27.30 0.30 1 98 . 16 ILE CG2 C 17.70 0.30 1 99 . 16 ILE CD1 C 12.90 0.30 1 100 . 16 ILE N N 122.20 0.10 1 101 . 17 LYS H H 8.61 0.01 1 102 . 17 LYS HA H 5.57 0.01 1 103 . 17 LYS HB2 H 1.86 0.01 2 104 . 17 LYS HB3 H 1.81 0.01 2 105 . 17 LYS HG2 H 1.48 0.01 1 106 . 17 LYS HG3 H 1.48 0.01 1 107 . 17 LYS HD2 H 1.58 0.01 1 108 . 17 LYS HD3 H 1.58 0.01 1 109 . 17 LYS HE2 H 3.06 0.01 1 110 . 17 LYS HE3 H 3.06 0.01 1 111 . 17 LYS CA C 54.50 0.30 1 112 . 17 LYS CB C 34.20 0.30 1 113 . 17 LYS CG C 24.90 0.30 1 114 . 17 LYS CD C 24.90 0.30 1 115 . 17 LYS CE C 41.40 0.30 1 116 . 17 LYS N N 123.30 0.10 1 117 . 18 PHE H H 9.15 0.01 1 118 . 18 PHE HA H 4.99 0.01 1 119 . 18 PHE HB2 H 2.77 0.01 1 120 . 18 PHE HB3 H 3.15 0.01 1 121 . 18 PHE HD1 H 7.34 0.01 1 122 . 18 PHE HD2 H 7.34 0.01 1 123 . 18 PHE HE1 H 7.25 0.01 1 124 . 18 PHE HE2 H 7.25 0.01 1 125 . 18 PHE HZ H 6.99 0.01 1 126 . 18 PHE CA C 56.60 0.30 1 127 . 18 PHE CB C 43.50 0.30 1 128 . 18 PHE N N 119.30 0.10 1 129 . 19 ARG H H 8.83 0.01 1 130 . 19 ARG HA H 5.17 0.01 1 131 . 19 ARG HB2 H 1.81 0.01 1 132 . 19 ARG HB3 H 1.81 0.01 1 133 . 19 ARG HG2 H 2.09 0.01 1 134 . 19 ARG HG3 H 2.09 0.01 1 135 . 19 ARG HD2 H 3.39 0.01 1 136 . 19 ARG HD3 H 3.39 0.01 1 137 . 19 ARG CA C 52.40 0.30 1 138 . 19 ARG CB C 27.00 0.30 1 139 . 19 ARG CG C 30.80 0.30 1 140 . 19 ARG CD C 42.80 0.30 1 141 . 19 ARG N N 118.30 0.10 1 142 . 20 PRO HA H 4.50 0.01 1 143 . 20 PRO HB2 H 2.27 0.01 2 144 . 20 PRO HB3 H 2.18 0.01 2 145 . 20 PRO HG2 H 1.68 0.01 1 146 . 20 PRO HG3 H 1.68 0.01 1 147 . 20 PRO HD2 H 3.81 0.01 2 148 . 20 PRO HD3 H 3.78 0.01 2 149 . 20 PRO CA C 63.40 0.30 1 150 . 20 PRO CB C 27.70 0.30 1 151 . 20 PRO CG C 27.70 0.30 1 152 . 20 PRO CD C 50.00 0.30 1 153 . 21 GLY H H 8.79 0.01 1 154 . 21 GLY HA2 H 4.20 0.01 2 155 . 21 GLY HA3 H 4.06 0.01 2 156 . 21 GLY CA C 45.20 0.30 1 157 . 21 GLY N N 106.20 0.10 1 158 . 22 THR H H 7.91 0.01 1 159 . 22 THR HA H 4.50 0.01 1 160 . 22 THR HG2 H 1.52 0.01 1 161 . 22 THR CA C 62.70 0.30 1 162 . 22 THR CG2 C 20.80 0.30 1 163 . 22 THR N N 113.10 0.10 1 164 . 23 ASP H H 8.82 0.01 1 165 . 23 ASP HA H 4.89 0.01 1 166 . 23 ASP HB2 H 2.96 0.01 1 167 . 23 ASP HB3 H 2.96 0.01 1 168 . 23 ASP CA C 53.50 0.30 1 169 . 23 ASP CB C 41.80 0.30 1 170 . 23 ASP N N 122.90 0.10 1 171 . 24 GLU H H 8.89 0.01 1 172 . 24 GLU HA H 4.47 0.01 1 173 . 24 GLU HB2 H 2.30 0.01 2 174 . 24 GLU HB3 H 2.14 0.01 2 175 . 24 GLU HG2 H 2.62 0.01 1 176 . 24 GLU HG3 H 2.62 0.01 1 177 . 24 GLU CA C 58.60 0.30 1 178 . 24 GLU CB C 31.50 0.30 1 179 . 24 GLU CG C 38.70 0.30 1 180 . 24 GLU N N 120.80 0.10 1 181 . 25 GLY H H 8.75 0.01 1 182 . 25 GLY HA2 H 4.15 0.01 2 183 . 25 GLY HA3 H 4.12 0.01 2 184 . 25 GLY CA C 45.20 0.30 1 185 . 25 GLY N N 105.00 0.10 1 186 . 26 ASP H H 8.09 0.01 1 187 . 26 ASP HA H 4.74 0.01 1 188 . 26 ASP HB2 H 2.92 0.01 1 189 . 26 ASP HB3 H 2.92 0.01 1 190 . 26 ASP CA C 55.90 0.30 1 191 . 26 ASP CB C 41.40 0.30 1 192 . 26 ASP N N 120.00 0.10 1 193 . 27 TYR H H 8.62 0.01 1 194 . 27 TYR HA H 4.07 0.01 1 195 . 27 TYR HB2 H 3.31 0.01 1 196 . 27 TYR HB3 H 3.43 0.01 1 197 . 27 TYR HD1 H 7.08 0.01 1 198 . 27 TYR HD2 H 7.08 0.01 1 199 . 27 TYR HE1 H 6.79 0.01 1 200 . 27 TYR HE2 H 6.79 0.01 1 201 . 27 TYR CA C 62.70 0.30 1 202 . 27 TYR CB C 38.30 0.30 1 203 . 27 TYR N N 118.30 0.10 1 204 . 28 GLN H H 8.55 0.01 1 205 . 28 GLN HA H 4.03 0.01 1 206 . 28 GLN HB2 H 2.40 0.01 1 207 . 28 GLN HB3 H 2.34 0.01 1 208 . 28 GLN HG2 H 2.97 0.01 2 209 . 28 GLN HG3 H 2.81 0.01 2 210 . 28 GLN HE21 H 7.35 0.01 2 211 . 28 GLN HE22 H 7.99 0.01 2 212 . 28 GLN CA C 58.30 0.30 1 213 . 28 GLN CB C 27.70 0.30 1 214 . 28 GLN CG C 32.80 0.30 1 215 . 28 GLN N N 112.80 0.10 1 216 . 28 GLN NE2 N 111.00 0.10 1 217 . 29 VAL H H 7.78 0.01 1 218 . 29 VAL HA H 3.81 0.01 1 219 . 29 VAL HB H 2.39 0.01 1 220 . 29 VAL HG1 H 1.26 0.01 1 221 . 29 VAL HG2 H 1.10 0.01 1 222 . 29 VAL CA C 66.20 0.30 1 223 . 29 VAL CB C 31.80 0.30 1 224 . 29 VAL CG1 C 22.20 0.30 1 225 . 29 VAL CG2 C 20.80 0.30 1 226 . 29 VAL N N 117.70 0.10 1 227 . 30 LYS H H 8.05 0.01 1 228 . 30 LYS HA H 3.99 0.01 1 229 . 30 LYS HB2 H 1.35 0.01 1 230 . 30 LYS HB3 H 1.84 0.01 1 231 . 30 LYS HG2 H 1.52 0.01 2 232 . 30 LYS HG3 H 1.35 0.01 2 233 . 30 LYS HD2 H 1.27 0.01 2 234 . 30 LYS HD3 H 1.06 0.01 2 235 . 30 LYS HE2 H 3.04 0.01 1 236 . 30 LYS HE3 H 3.04 0.01 1 237 . 30 LYS CA C 59.30 0.30 1 238 . 30 LYS CB C 32.20 0.30 1 239 . 30 LYS CG C 26.30 0.30 1 240 . 30 LYS CD C 28.00 0.30 1 241 . 30 LYS CE C 41.80 0.30 1 242 . 30 LYS N N 119.60 0.10 1 243 . 31 LEU H H 9.00 0.01 1 244 . 31 LEU HA H 4.00 0.01 1 245 . 31 LEU HB2 H 1.85 0.01 2 246 . 31 LEU HB3 H 1.34 0.01 2 247 . 31 LEU HD1 H 1.12 0.01 2 248 . 31 LEU HD2 H 1.07 0.01 2 249 . 31 LEU CA C 58.30 0.30 1 250 . 31 LEU CB C 41.10 0.30 1 251 . 31 LEU CD1 C 24.60 0.30 2 252 . 31 LEU CD2 C 23.20 0.30 2 253 . 31 LEU N N 119.00 0.10 1 254 . 32 ARG H H 7.98 0.01 1 255 . 32 ARG HA H 4.03 0.01 1 256 . 32 ARG HB2 H 2.13 0.01 2 257 . 32 ARG HB3 H 2.05 0.01 2 258 . 32 ARG HG2 H 1.84 0.01 1 259 . 32 ARG HG3 H 1.84 0.01 1 260 . 32 ARG HD2 H 3.34 0.01 1 261 . 32 ARG HD3 H 3.34 0.01 1 262 . 32 ARG CA C 59.70 0.30 1 263 . 32 ARG N N 113.80 0.10 1 264 . 33 SER H H 7.66 0.01 1 265 . 33 SER HA H 4.05 0.01 1 266 . 33 SER HB2 H 3.62 0.01 1 267 . 33 SER HB3 H 3.62 0.01 1 268 . 33 SER CA C 62.10 0.30 1 269 . 33 SER CB C 62.10 0.30 1 270 . 33 SER N N 114.00 0.10 1 271 . 34 LEU H H 7.91 0.01 1 272 . 34 LEU HA H 3.85 0.01 1 273 . 34 LEU HB2 H 2.20 0.01 2 274 . 34 LEU HB3 H 1.55 0.01 2 275 . 34 LEU HG H 1.87 0.01 1 276 . 34 LEU HD1 H 1.01 0.01 1 277 . 34 LEU HD2 H 1.01 0.01 1 278 . 34 LEU CA C 57.90 0.30 1 279 . 34 LEU CB C 42.10 0.30 1 280 . 34 LEU CG C 26.30 0.30 1 281 . 34 LEU CD1 C 25.60 0.30 1 282 . 34 LEU CD2 C 25.60 0.30 1 283 . 34 LEU N N 119.00 0.10 1 284 . 35 ILE H H 8.53 0.01 1 285 . 35 ILE HA H 3.54 0.01 1 286 . 35 ILE HB H 2.19 0.01 1 287 . 35 ILE HG12 H 1.96 0.01 2 288 . 35 ILE HG13 H 1.87 0.01 2 289 . 35 ILE HG2 H 0.97 0.01 1 290 . 35 ILE HD1 H 0.95 0.01 1 291 . 35 ILE CA C 65.80 0.30 1 292 . 35 ILE CB C 41.80 0.30 1 293 . 35 ILE CG1 C 30.80 0.30 1 294 . 35 ILE CG2 C 16.30 0.30 1 295 . 35 ILE CD1 C 13.60 0.30 1 296 . 35 ILE N N 115.70 0.10 1 297 . 36 ARG H H 7.38 0.01 1 298 . 36 ARG HA H 4.28 0.01 1 299 . 36 ARG HB2 H 2.05 0.01 2 300 . 36 ARG HB3 H 1.96 0.01 2 301 . 36 ARG HG2 H 1.86 0.01 2 302 . 36 ARG HG3 H 1.77 0.01 2 303 . 36 ARG HD2 H 3.37 0.01 1 304 . 36 ARG HD3 H 3.37 0.01 1 305 . 36 ARG CA C 59.00 0.30 1 306 . 36 ARG CB C 28.70 0.30 1 307 . 36 ARG CG C 27.00 0.30 1 308 . 36 ARG N N 115.90 0.10 1 309 . 37 PHE H H 8.13 0.01 1 310 . 37 PHE HA H 5.07 0.01 1 311 . 37 PHE HB2 H 3.38 0.01 1 312 . 37 PHE HB3 H 3.24 0.01 1 313 . 37 PHE HD1 H 7.30 0.01 1 314 . 37 PHE HD2 H 7.30 0.01 1 315 . 37 PHE HE1 H 7.37 0.01 3 316 . 37 PHE HE2 H 7.30 0.01 3 317 . 37 PHE CA C 57.20 0.30 1 318 . 37 PHE CB C 37.30 0.30 1 319 . 37 PHE N N 115.00 0.10 1 320 . 38 LEU H H 8.26 0.01 1 321 . 38 LEU HA H 4.79 0.01 1 322 . 38 LEU HB2 H 1.71 0.01 2 323 . 38 LEU HB3 H 1.56 0.01 2 324 . 38 LEU HG H 2.05 0.01 1 325 . 38 LEU HD1 H 1.05 0.01 2 326 . 38 LEU HD2 H 0.99 0.01 2 327 . 38 LEU CA C 57.20 0.30 1 328 . 38 LEU CB C 43.50 0.30 1 329 . 38 LEU CG C 27.30 0.30 2 330 . 38 LEU CD1 C 22.20 0.30 2 331 . 38 LEU CD2 C 27.70 0.30 2 332 . 38 LEU N N 116.30 0.10 1 333 . 39 GLU H H 9.24 0.01 1 334 . 39 GLU HA H 4.26 0.01 1 335 . 39 GLU HB2 H 2.53 0.01 2 336 . 39 GLU HB3 H 2.21 0.01 2 337 . 39 GLU HG2 H 2.78 0.01 2 338 . 39 GLU HG3 H 2.43 0.01 2 339 . 39 GLU CA C 59.30 0.30 1 340 . 39 GLU CB C 29.40 0.30 1 341 . 39 GLU CG C 37.30 0.30 1 342 . 39 GLU N N 119.80 0.10 1 343 . 40 GLU H H 8.05 0.01 1 344 . 40 GLU HA H 4.45 0.01 1 345 . 40 GLU HB2 H 2.45 0.01 4 346 . 40 GLU HB3 H 2.45 0.01 4 347 . 40 GLU HG2 H 2.55 0.01 4 348 . 40 GLU HG3 H 2.55 0.01 4 349 . 40 GLU CA C 56.60 0.30 1 350 . 40 GLU CB C 36.30 0.30 4 351 . 40 GLU CG C 36.30 0.30 4 352 . 40 GLU N N 114.90 0.10 1 353 . 41 GLY H H 8.10 0.01 1 354 . 41 GLY HA2 H 4.47 0.01 2 355 . 41 GLY HA3 H 3.77 0.01 2 356 . 41 GLY CA C 45.20 0.30 1 357 . 41 GLY N N 105.00 0.10 1 358 . 42 ASP H H 8.21 0.01 1 359 . 42 ASP HA H 5.24 0.01 1 360 . 42 ASP HB2 H 2.53 0.01 1 361 . 42 ASP HB3 H 2.92 0.01 1 362 . 42 ASP CA C 53.80 0.30 1 363 . 42 ASP CB C 42.10 0.30 1 364 . 42 ASP N N 119.70 0.10 1 365 . 43 LYS H H 8.00 0.01 1 366 . 43 LYS HA H 4.79 0.01 1 367 . 43 LYS HB2 H 2.19 0.01 2 368 . 43 LYS HB3 H 1.97 0.01 2 369 . 43 LYS HG2 H 1.84 0.01 4 370 . 43 LYS HG3 H 1.84 0.01 4 371 . 43 LYS HD2 H 1.76 0.01 4 372 . 43 LYS HD3 H 1.76 0.01 4 373 . 43 LYS CA C 55.90 0.30 1 374 . 43 LYS N N 110.30 0.10 1 375 . 44 ALA H H 8.83 0.01 1 376 . 44 ALA HA H 5.47 0.01 1 377 . 44 ALA HB H 1.39 0.01 1 378 . 44 ALA CA C 49.70 0.30 1 379 . 44 ALA CB C 22.50 0.30 1 380 . 44 ALA N N 118.70 0.10 1 381 . 45 LYS H H 9.32 0.01 1 382 . 45 LYS HA H 5.08 0.01 1 383 . 45 LYS HB2 H 1.73 0.01 1 384 . 45 LYS HB3 H 1.73 0.01 1 385 . 45 LYS HG2 H 1.31 0.01 1 386 . 45 LYS HG3 H 1.31 0.01 1 387 . 45 LYS HD2 H 1.60 0.01 1 388 . 45 LYS HD3 H 1.60 0.01 1 389 . 45 LYS HE2 H 2.95 0.01 1 390 . 45 LYS HE3 H 2.95 0.01 1 391 . 45 LYS CA C 54.50 0.30 1 392 . 45 LYS CB C 32.20 0.30 1 393 . 45 LYS CG C 24.60 0.30 1 394 . 45 LYS CD C 27.30 0.30 1 395 . 45 LYS CE C 41.10 0.30 1 396 . 45 LYS N N 122.40 0.10 1 397 . 46 ILE H H 9.65 0.01 1 398 . 46 ILE HA H 5.10 0.01 1 399 . 46 ILE HB H 2.06 0.01 1 400 . 46 ILE HG12 H 1.61 0.01 2 401 . 46 ILE HG13 H 1.33 0.01 2 402 . 46 ILE HG2 H 0.94 0.01 1 403 . 46 ILE HD1 H 0.99 0.01 1 404 . 46 ILE CA C 59.70 0.30 1 405 . 46 ILE CB C 38.70 0.30 1 406 . 46 ILE CG1 C 29.40 0.30 1 407 . 46 ILE CG2 C 19.40 0.30 1 408 . 46 ILE CD1 C 15.70 0.30 1 409 . 46 ILE N N 126.60 0.10 1 410 . 47 THR H H 8.72 0.01 1 411 . 47 THR HA H 5.08 0.01 1 412 . 47 THR HB H 4.12 0.01 1 413 . 47 THR HG2 H 1.20 0.01 1 414 . 47 THR CA C 60.70 0.30 1 415 . 47 THR CB C 69.80 0.30 1 416 . 47 THR CG2 C 22.20 0.30 1 417 . 47 THR N N 120.40 0.10 1 418 . 48 LEU H H 9.28 0.01 1 419 . 48 LEU HA H 5.16 0.01 1 420 . 48 LEU HB2 H 1.70 0.01 1 421 . 48 LEU HB3 H 1.56 0.01 1 422 . 48 LEU HG H 1.87 0.01 1 423 . 48 LEU HD1 H 0.78 0.01 1 424 . 48 LEU HD2 H 0.78 0.01 1 425 . 48 LEU CA C 53.10 0.30 1 426 . 48 LEU CB C 43.80 0.30 1 427 . 48 LEU CG C 27.30 0.30 1 428 . 48 LEU CD1 C 25.30 0.30 1 429 . 48 LEU CD2 C 25.30 0.30 1 430 . 48 LEU N N 126.30 0.10 1 431 . 49 ARG H H 8.35 0.01 1 432 . 49 ARG HA H 5.15 0.01 1 433 . 49 ARG HB2 H 2.00 0.01 2 434 . 49 ARG HB3 H 1.80 0.01 2 435 . 49 ARG HD2 H 3.40 0.01 2 436 . 49 ARG HD3 H 3.35 0.01 2 437 . 49 ARG CA C 54.20 0.30 1 438 . 49 ARG CB C 32.20 0.30 1 439 . 49 ARG N N 122.00 0.10 1 440 . 50 PHE H H 8.68 0.01 1 441 . 50 PHE HA H 4.84 0.01 1 442 . 50 PHE HB2 H 3.33 0.01 2 443 . 50 PHE HB3 H 3.19 0.01 2 444 . 50 PHE HD1 H 7.30 0.01 1 445 . 50 PHE HD2 H 7.30 0.01 1 446 . 50 PHE HE1 H 7.46 0.01 1 447 . 50 PHE HE2 H 7.46 0.01 1 448 . 50 PHE CA C 57.20 0.30 1 449 . 50 PHE CB C 39.40 0.30 1 450 . 50 PHE N N 119.70 0.10 1 451 . 51 ARG H H 9.33 0.01 1 452 . 51 ARG HA H 4.69 0.01 1 453 . 51 ARG N N 119.50 0.10 1 454 . 52 GLY H H 8.99 0.01 1 455 . 52 GLY HA2 H 4.19 0.01 2 456 . 52 GLY HA3 H 4.04 0.01 2 457 . 52 GLY CA C 45.90 0.30 1 458 . 52 GLY N N 108.50 0.10 1 459 . 53 ARG H H 8.39 0.01 1 460 . 53 ARG HA H 4.43 0.01 1 461 . 53 ARG N N 117.80 0.10 1 462 . 54 GLU H H 8.32 0.01 1 463 . 54 GLU HA H 4.23 0.01 1 464 . 54 GLU N N 117.70 0.10 1 465 . 56 ALA H H 8.23 0.01 1 466 . 56 ALA HA H 4.15 0.01 1 467 . 56 ALA HB H 1.31 0.01 1 468 . 56 ALA CA C 52.80 0.30 1 469 . 56 ALA CB C 18.10 0.30 1 470 . 56 ALA N N 119.40 0.10 1 471 . 57 HIS H H 7.55 0.01 1 472 . 57 HIS HA H 4.83 0.01 1 473 . 57 HIS HB2 H 3.15 0.01 1 474 . 57 HIS HB3 H 3.15 0.01 1 475 . 57 HIS HD2 H 7.15 0.01 1 476 . 57 HIS HE1 H 8.01 0.01 1 477 . 57 HIS CA C 55.50 0.30 1 478 . 57 HIS CB C 30.40 0.30 1 479 . 57 HIS N N 115.40 0.10 1 480 . 59 GLN H H 8.94 0.01 1 481 . 59 GLN HA H 4.26 0.01 1 482 . 59 GLN HB2 H 2.28 0.01 1 483 . 59 GLN HB3 H 2.36 0.01 1 484 . 59 GLN HG2 H 2.61 0.01 1 485 . 59 GLN HG3 H 2.61 0.01 1 486 . 59 GLN CA C 58.30 0.30 1 487 . 59 GLN CB C 27.30 0.30 1 488 . 59 GLN CG C 33.20 0.30 1 489 . 59 GLN N N 116.60 0.10 1 490 . 60 ILE H H 7.83 0.01 1 491 . 60 ILE HA H 4.20 0.01 1 492 . 60 ILE HB H 2.22 0.01 1 493 . 60 ILE HG12 H 1.80 0.01 2 494 . 60 ILE HG13 H 1.51 0.01 2 495 . 60 ILE HG2 H 1.20 0.01 1 496 . 60 ILE HD1 H 1.07 0.01 1 497 . 60 ILE CA C 63.40 0.30 1 498 . 60 ILE CB C 37.30 0.30 1 499 . 60 ILE CG1 C 28.00 0.30 1 500 . 60 ILE CG2 C 17.40 0.30 1 501 . 60 ILE CD1 C 12.60 0.30 1 502 . 60 ILE N N 116.60 0.10 1 503 . 61 GLY H H 8.31 0.01 1 504 . 61 GLY HA2 H 4.09 0.01 2 505 . 61 GLY HA3 H 4.00 0.01 2 506 . 61 GLY CA C 47.30 0.30 1 507 . 61 GLY N N 104.50 0.10 1 508 . 62 MET H H 8.40 0.01 1 509 . 62 MET HA H 4.38 0.01 1 510 . 62 MET HB2 H 2.43 0.01 2 511 . 62 MET HB3 H 2.33 0.01 2 512 . 62 MET HG2 H 2.91 0.01 2 513 . 62 MET HG3 H 2.81 0.01 2 514 . 62 MET CA C 57.60 0.30 1 515 . 62 MET CB C 31.50 0.30 1 516 . 62 MET CG C 32.50 0.30 1 517 . 62 MET N N 117.10 0.10 1 518 . 63 GLU H H 8.17 0.01 1 519 . 63 GLU HA H 4.30 0.01 1 520 . 63 GLU HB2 H 2.42 0.01 1 521 . 63 GLU HB3 H 2.31 0.01 1 522 . 63 GLU HG2 H 2.66 0.01 2 523 . 63 GLU HG3 H 2.45 0.01 2 524 . 63 GLU CA C 59.70 0.30 1 525 . 63 GLU CB C 28.70 0.30 1 526 . 63 GLU CG C 36.30 0.30 1 527 . 63 GLU N N 116.50 0.10 1 528 . 64 VAL H H 7.89 0.01 1 529 . 64 VAL HA H 3.88 0.01 1 530 . 64 VAL HB H 2.32 0.01 1 531 . 64 VAL HG1 H 1.30 0.01 1 532 . 64 VAL HG2 H 0.87 0.01 1 533 . 64 VAL CA C 66.20 0.30 1 534 . 64 VAL CB C 31.50 0.30 1 535 . 64 VAL CG1 C 22.50 0.30 1 536 . 64 VAL CG2 C 20.50 0.30 1 537 . 64 VAL N N 117.70 0.10 1 538 . 65 LEU H H 7.85 0.01 1 539 . 65 LEU HA H 4.01 0.01 1 540 . 65 LEU HB2 H 2.01 0.01 1 541 . 65 LEU HB3 H 2.01 0.01 1 542 . 65 LEU HD1 H 0.80 0.01 2 543 . 65 LEU HD2 H 0.79 0.01 2 544 . 65 LEU CA C 57.60 0.30 1 545 . 65 LEU CD1 C 22.20 0.30 1 546 . 65 LEU CD2 C 26.30 0.30 1 547 . 65 LEU N N 115.30 0.10 1 548 . 66 ASN H H 8.68 0.01 1 549 . 66 ASN HA H 4.67 0.01 1 550 . 66 ASN HB2 H 2.91 0.01 1 551 . 66 ASN HB3 H 3.04 0.01 1 552 . 66 ASN HD21 H 7.54 0.01 2 553 . 66 ASN HD22 H 6.95 0.01 2 554 . 66 ASN CA C 55.90 0.30 1 555 . 66 ASN CB C 38.00 0.30 1 556 . 66 ASN N N 114.10 0.10 1 557 . 66 ASN ND2 N 108.70 0.10 1 558 . 67 ARG H H 7.93 0.01 1 559 . 67 ARG HA H 4.23 0.01 1 560 . 67 ARG HB2 H 2.07 0.01 1 561 . 67 ARG HB3 H 2.18 0.01 1 562 . 67 ARG HG2 H 1.89 0.01 2 563 . 67 ARG HG3 H 1.81 0.01 2 564 . 67 ARG HD2 H 2.62 0.01 2 565 . 67 ARG HD3 H 2.98 0.01 2 566 . 67 ARG HE H 7.10 0.01 1 567 . 67 ARG CA C 59.30 0.30 1 568 . 67 ARG N N 119.10 0.10 1 569 . 67 ARG NE N 83.10 0.20 1 570 . 68 VAL H H 8.27 0.01 1 571 . 68 VAL HA H 3.89 0.01 1 572 . 68 VAL HB H 2.21 0.01 1 573 . 68 VAL HG1 H 1.06 0.01 1 574 . 68 VAL HG2 H 0.86 0.01 1 575 . 68 VAL CA C 66.50 0.30 1 576 . 68 VAL CB C 31.50 0.30 1 577 . 68 VAL CG1 C 23.20 0.30 1 578 . 68 VAL CG2 C 22.50 0.30 1 579 . 68 VAL N N 117.00 0.10 1 580 . 69 LYS H H 8.10 0.01 1 581 . 69 LYS HA H 3.94 0.01 1 582 . 69 LYS HB2 H 2.02 0.01 1 583 . 69 LYS HB3 H 2.14 0.01 1 584 . 69 LYS HG2 H 1.80 0.01 1 585 . 69 LYS HG3 H 1.80 0.01 1 586 . 69 LYS HD2 H 1.70 0.01 1 587 . 69 LYS HD3 H 1.70 0.01 1 588 . 69 LYS HE2 H 3.16 0.01 2 589 . 69 LYS HE3 H 3.08 0.01 2 590 . 69 LYS CA C 59.30 0.30 1 591 . 69 LYS CB C 31.10 0.30 1 592 . 69 LYS CG C 20.10 0.30 1 593 . 69 LYS CD C 23.60 0.30 1 594 . 69 LYS CE C 36.30 0.30 1 595 . 69 LYS N N 114.40 0.10 1 596 . 70 ASP H H 8.26 0.01 1 597 . 70 ASP HA H 4.66 0.01 1 598 . 70 ASP HB2 H 2.86 0.01 1 599 . 70 ASP HB3 H 3.02 0.01 1 600 . 70 ASP CA C 56.90 0.30 1 601 . 70 ASP CB C 39.70 0.30 1 602 . 70 ASP N N 118.40 0.10 1 603 . 71 ASP H H 9.22 0.01 1 604 . 71 ASP HA H 4.79 0.01 1 605 . 71 ASP HB2 H 2.81 0.01 1 606 . 71 ASP HB3 H 3.12 0.01 1 607 . 71 ASP CA C 56.90 0.30 1 608 . 71 ASP CB C 40.40 0.30 1 609 . 71 ASP N N 120.20 0.10 1 610 . 72 LEU H H 7.87 0.01 1 611 . 72 LEU HA H 4.88 0.01 1 612 . 72 LEU HB2 H 1.78 0.01 1 613 . 72 LEU HB3 H 1.84 0.01 1 614 . 72 LEU HD1 H 0.95 0.01 2 615 . 72 LEU HD2 H 0.86 0.01 2 616 . 72 LEU CA C 53.10 0.30 1 617 . 72 LEU CB C 41.10 0.30 1 618 . 72 LEU CD1 C 23.60 0.30 2 619 . 72 LEU CD2 C 27.30 0.30 2 620 . 72 LEU N N 115.10 0.10 1 621 . 73 GLN H H 7.58 0.01 1 622 . 73 GLN HA H 4.50 0.01 1 623 . 73 GLN HB2 H 2.61 0.01 1 624 . 73 GLN HB3 H 2.50 0.01 1 625 . 73 GLN HG2 H 2.86 0.01 1 626 . 73 GLN HG3 H 2.86 0.01 1 627 . 73 GLN HE21 H 7.88 0.01 2 628 . 73 GLN HE22 H 7.03 0.01 2 629 . 73 GLN CA C 59.00 0.30 1 630 . 73 GLN CB C 28.40 0.30 1 631 . 73 GLN CG C 32.80 0.30 1 632 . 73 GLN N N 118.60 0.10 1 633 . 73 GLN NE2 N 109.60 0.10 1 634 . 74 GLU H H 8.92 0.01 1 635 . 74 GLU HA H 4.49 0.01 1 636 . 74 GLU HB2 H 2.10 0.01 1 637 . 74 GLU HB3 H 2.32 0.01 1 638 . 74 GLU HG2 H 2.54 0.01 2 639 . 74 GLU HG3 H 2.43 0.01 2 640 . 74 GLU CA C 57.60 0.30 1 641 . 74 GLU CB C 29.40 0.30 1 642 . 74 GLU CG C 29.40 0.30 1 643 . 74 GLU N N 113.50 0.10 1 644 . 75 LEU H H 7.80 0.01 1 645 . 75 LEU HA H 4.77 0.01 1 646 . 75 LEU HB2 H 1.94 0.01 2 647 . 75 LEU HB3 H 1.80 0.01 2 648 . 75 LEU HG H 2.01 0.01 1 649 . 75 LEU HD1 H 1.18 0.01 2 650 . 75 LEU HD2 H 1.15 0.01 2 651 . 75 LEU CA C 54.80 0.30 1 652 . 75 LEU CB C 45.90 0.30 1 653 . 75 LEU CG C 32.80 0.30 1 654 . 75 LEU CD1 C 25.60 0.30 2 655 . 75 LEU CD2 C 24.60 0.30 2 656 . 75 LEU N N 114.50 0.10 1 657 . 76 ALA H H 8.49 0.01 1 658 . 76 ALA HA H 5.57 0.01 1 659 . 76 ALA HB H 1.52 0.01 1 660 . 76 ALA CA C 50.70 0.30 1 661 . 76 ALA CB C 24.90 0.30 1 662 . 76 ALA N N 120.10 0.10 1 663 . 77 VAL H H 9.32 0.01 1 664 . 77 VAL HA H 4.69 0.01 1 665 . 77 VAL HB H 2.21 0.01 1 666 . 77 VAL HG1 H 0.99 0.01 1 667 . 77 VAL HG2 H 1.07 0.01 1 668 . 77 VAL CA C 59.00 0.01 1 669 . 77 VAL CB C 33.90 0.01 1 670 . 77 VAL CG1 C 19.80 0.01 1 671 . 77 VAL CG2 C 21.50 0.01 1 672 . 77 VAL N N 113.30 0.10 1 673 . 78 VAL H H 8.92 0.01 1 674 . 78 VAL HA H 4.30 0.01 1 675 . 78 VAL HB H 2.21 0.01 1 676 . 78 VAL HG1 H 1.14 0.01 1 677 . 78 VAL HG2 H 1.09 0.01 1 678 . 78 VAL CA C 62.40 0.30 1 679 . 78 VAL CB C 31.10 0.30 1 680 . 78 VAL CG1 C 20.80 0.30 1 681 . 78 VAL CG2 C 17.40 0.30 1 682 . 78 VAL N N 121.50 0.10 1 683 . 79 GLU H H 9.16 0.01 1 684 . 79 GLU HA H 4.55 0.01 1 685 . 79 GLU HB2 H 2.00 0.01 1 686 . 79 GLU HB3 H 2.00 0.01 1 687 . 79 GLU HG2 H 2.36 0.01 1 688 . 79 GLU HG3 H 2.36 0.01 1 689 . 79 GLU CA C 57.60 0.30 1 690 . 79 GLU CB C 31.50 0.30 1 691 . 79 GLU N N 128.10 0.10 1 692 . 80 SER H H 7.88 0.01 1 693 . 80 SER HA H 4.86 0.01 1 694 . 80 SER HB2 H 3.91 0.01 2 695 . 80 SER HB3 H 3.86 0.01 2 696 . 80 SER CA C 57.60 0.30 1 697 . 80 SER CB C 64.10 0.30 1 698 . 80 SER N N 109.00 0.10 1 699 . 81 PHE H H 9.04 0.01 1 700 . 81 PHE HA H 5.10 0.01 1 701 . 81 PHE HB2 H 3.30 0.01 2 702 . 81 PHE HB3 H 3.09 0.01 2 703 . 81 PHE HD1 H 7.43 0.01 1 704 . 81 PHE HD2 H 7.43 0.01 1 705 . 81 PHE HE1 H 7.50 0.01 1 706 . 81 PHE HE2 H 7.50 0.01 1 707 . 81 PHE CA C 54.80 0.30 1 708 . 81 PHE CB C 41.80 0.30 1 709 . 81 PHE N N 126.40 0.10 1 710 . 82 PRO HA H 4.23 0.01 1 711 . 82 PRO HB2 H 1.71 0.01 2 712 . 82 PRO HB3 H 1.84 0.01 2 713 . 82 PRO HD2 H 3.64 0.01 2 714 . 82 PRO HD3 H 2.48 0.01 2 715 . 82 PRO CA C 56.20 0.30 1 716 . 82 PRO CB C 29.40 0.30 1 717 . 82 PRO CD C 49.30 0.30 1 718 . 83 THR H H 8.68 0.01 1 719 . 83 THR HA H 4.57 0.01 1 720 . 83 THR HB H 4.56 0.01 1 721 . 83 THR HG2 H 1.43 0.01 1 722 . 83 THR CA C 61.40 0.30 1 723 . 83 THR CB C 70.30 0.30 1 724 . 83 THR CG2 C 21.50 0.30 1 725 . 83 THR N N 107.20 0.10 1 726 . 84 LYS H H 7.83 0.01 1 727 . 84 LYS HA H 4.76 0.01 1 728 . 84 LYS HB2 H 1.94 0.01 1 729 . 84 LYS HB3 H 1.94 0.01 1 730 . 84 LYS HG2 H 1.56 0.01 1 731 . 84 LYS HG3 H 1.56 0.01 1 732 . 84 LYS CA C 54.50 0.30 1 733 . 84 LYS N N 116.10 0.10 1 734 . 85 ILE H H 8.55 0.01 1 735 . 85 ILE HA H 4.27 0.01 1 736 . 85 ILE HB H 1.80 0.01 1 737 . 85 ILE HG12 H 1.66 0.01 1 738 . 85 ILE HG13 H 1.66 0.01 1 739 . 85 ILE HG2 H 0.89 0.01 1 740 . 85 ILE HD1 H 0.61 0.01 1 741 . 85 ILE CA C 61.40 0.30 1 742 . 85 ILE CB C 38.30 0.30 1 743 . 85 ILE CG1 C 28.40 0.30 1 744 . 85 ILE CG2 C 17.40 0.30 1 745 . 85 ILE CD1 C 13.60 0.30 1 746 . 85 ILE N N 119.70 0.10 1 747 . 86 GLU H H 8.73 0.01 1 748 . 86 GLU HA H 4.79 0.01 1 749 . 86 GLU HB2 H 2.12 0.01 1 750 . 86 GLU HB3 H 2.20 0.01 1 751 . 86 GLU HG2 H 2.35 0.01 1 752 . 86 GLU HG3 H 2.35 0.01 1 753 . 86 GLU CA C 54.80 0.30 1 754 . 86 GLU CB C 31.50 0.30 1 755 . 86 GLU CG C 35.90 0.30 1 756 . 86 GLU N N 125.50 0.10 1 757 . 87 GLY HA2 H 4.18 0.01 2 758 . 87 GLY HA3 H 4.02 0.01 2 759 . 87 GLY CA C 45.90 0.30 1 760 . 88 ARG H H 8.89 0.01 1 761 . 88 ARG HA H 4.26 0.02 1 762 . 88 ARG HB2 H 2.08 0.02 2 763 . 88 ARG HB3 H 2.29 0.02 2 764 . 88 ARG N N 114.60 0.10 1 765 . 89 GLN H H 7.96 0.01 1 766 . 89 GLN HA H 5.94 0.01 1 767 . 89 GLN HB2 H 2.23 0.01 2 768 . 89 GLN HB3 H 2.18 0.01 2 769 . 89 GLN HG2 H 2.51 0.01 1 770 . 89 GLN HG3 H 2.51 0.01 1 771 . 89 GLN HE21 H 7.50 0.01 2 772 . 89 GLN HE22 H 7.08 0.01 2 773 . 89 GLN CA C 53.80 0.30 1 774 . 89 GLN CB C 32.80 0.30 1 775 . 89 GLN CG C 33.20 0.30 1 776 . 89 GLN N N 113.10 0.10 1 777 . 89 GLN NE2 N 108.40 0.10 1 778 . 90 MET H H 8.94 0.01 1 779 . 90 MET HA H 5.02 0.01 1 780 . 90 MET HB2 H 2.12 0.01 2 781 . 90 MET HB3 H 2.02 0.01 2 782 . 90 MET HG2 H 2.69 0.01 1 783 . 90 MET HG3 H 2.69 0.01 1 784 . 90 MET HE H 2.13 0.01 1 785 . 90 MET CA C 55.50 0.30 1 786 . 90 MET CB C 37.70 0.30 1 787 . 90 MET CG C 33.20 0.30 1 788 . 90 MET CE C 17.40 0.30 1 789 . 90 MET N N 116.60 0.10 1 790 . 91 ILE H H 8.40 0.01 1 791 . 91 ILE HA H 5.40 0.01 1 792 . 91 ILE HB H 1.75 0.01 1 793 . 91 ILE HG12 H 1.58 0.01 2 794 . 91 ILE HG13 H 1.33 0.01 2 795 . 91 ILE HG2 H 0.90 0.01 1 796 . 91 ILE HD1 H 0.98 0.01 1 797 . 91 ILE CA C 59.70 0.30 1 798 . 91 ILE CB C 41.40 0.30 1 799 . 91 ILE CG1 C 27.30 0.30 1 800 . 91 ILE CG2 C 18.10 0.30 1 801 . 91 ILE CD1 C 13.90 0.30 1 802 . 91 ILE N N 119.00 0.10 1 803 . 92 MET H H 9.17 0.01 1 804 . 92 MET HA H 5.16 0.01 1 805 . 92 MET HB2 H 2.23 0.01 1 806 . 92 MET HB3 H 2.23 0.01 1 807 . 92 MET HG2 H 2.40 0.01 1 808 . 92 MET HG3 H 2.40 0.01 1 809 . 92 MET HE H 1.87 0.01 1 810 . 92 MET CA C 53.50 0.30 1 811 . 92 MET CE C 17.40 0.30 1 812 . 92 MET N N 124.90 0.10 1 813 . 93 VAL H H 8.76 0.01 1 814 . 93 VAL HA H 5.32 0.01 1 815 . 93 VAL HB H 2.05 0.01 1 816 . 93 VAL HG1 H 1.00 0.01 1 817 . 93 VAL HG2 H 1.00 0.01 1 818 . 93 VAL CA C 61.00 0.30 1 819 . 93 VAL CB C 33.20 0.30 1 820 . 93 VAL CG1 C 20.80 0.30 1 821 . 93 VAL CG2 C 20.80 0.30 1 822 . 93 VAL N N 123.70 0.10 1 823 . 94 LEU H H 9.61 0.01 1 824 . 94 LEU HA H 5.51 0.01 1 825 . 94 LEU HB2 H 1.98 0.01 2 826 . 94 LEU HB3 H 1.60 0.01 2 827 . 94 LEU HD1 H 1.07 0.01 2 828 . 94 LEU HD2 H 0.93 0.01 2 829 . 94 LEU CA C 52.80 0.30 1 830 . 94 LEU CB C 45.20 0.30 1 831 . 94 LEU CD1 C 24.20 0.30 2 832 . 94 LEU CD2 C 27.00 0.30 2 833 . 94 LEU N N 125.30 0.10 1 834 . 95 ALA H H 9.27 0.01 1 835 . 95 ALA HA H 5.21 0.01 1 836 . 95 ALA HB H 1.49 0.01 1 837 . 95 ALA CA C 48.00 0.30 1 838 . 95 ALA CB C 20.50 0.30 1 839 . 95 ALA N N 120.30 0.10 1 840 . 96 PRO HA H 4.79 0.01 1 841 . 96 PRO HB2 H 2.65 0.01 2 842 . 96 PRO HB3 H 2.13 0.01 2 843 . 96 PRO HG2 H 2.18 0.01 1 844 . 96 PRO HG3 H 2.18 0.01 1 845 . 96 PRO HD2 H 3.89 0.01 2 846 . 96 PRO HD3 H 3.74 0.01 2 847 . 96 PRO CA C 62.70 0.30 1 848 . 96 PRO CB C 31.50 0.30 1 849 . 96 PRO CD C 50.00 0.30 1 850 . 97 LYS H H 8.23 0.01 1 851 . 97 LYS HA H 4.30 0.01 1 852 . 97 LYS HB2 H 2.17 0.01 1 853 . 97 LYS HB3 H 2.17 0.01 1 854 . 97 LYS HG2 H 1.50 0.01 2 855 . 97 LYS HG3 H 1.40 0.01 2 856 . 97 LYS HD2 H 1.82 0.01 2 857 . 97 LYS HD3 H 1.56 0.01 2 858 . 97 LYS HE2 H 3.10 0.01 1 859 . 97 LYS HE3 H 3.10 0.01 1 860 . 97 LYS CA C 56.60 0.30 1 861 . 97 LYS CB C 31.80 0.30 1 862 . 97 LYS CG C 25.30 0.30 1 863 . 97 LYS CD C 33.90 0.30 1 864 . 97 LYS CE C 41.80 0.30 1 865 . 97 LYS N N 120.90 0.10 1 866 . 98 LYS H H 8.56 0.01 1 867 . 98 LYS HA H 4.51 0.01 1 868 . 98 LYS HB2 H 1.83 0.01 1 869 . 98 LYS HB3 H 1.83 0.01 1 870 . 98 LYS N N 120.90 0.10 1 871 . 99 LYS H H 8.60 0.01 1 872 . 99 LYS HA H 4.54 0.01 1 873 . 99 LYS N N 122.40 0.10 1 874 . 100 GLN H H 8.21 0.01 1 875 . 100 GLN N N 124.50 0.10 1 stop_ save_