data_4956 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of YajQ, a protein of unknown structure and function from Escherichia coli ; _BMRB_accession_number 4956 _BMRB_flat_file_name bmr4956.str _Entry_type original _Submission_date 2001-01-12 _Accession_date 2001-01-12 _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 Miron Simona . . 2 Borza Tudor . . 3 Saveanu Cosmin . . 4 Gilles Anne-Marie . . 5 Barzu Octavian . . 6 Craescu Constantin T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 643 "13C chemical shifts" 144 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-07-30 original author . stop_ _Original_release_date 2001-07-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignment of YajQ, a protein of unknown structure and function from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miron Simona . . 2 Borza Tudor . . 3 Saveanu Cosmin . . 4 Gilles Anne-Marie . . 5 Barzu Octavian . . 6 Craescu Constantin T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 288 _Year 2001 _Details . loop_ _Keyword E.coli NMR 'nuclear magnetic resonance' protein 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_YajQ _Saveframe_category molecular_system _Mol_system_name 'YajQ from E.coli' _Abbreviation_common YajQ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YajQ $YajQ 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_YajQ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'YajQ from E.coli' _Abbreviation_common YajQ _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; MPSFDIVSEVDLQEARNAVD NASREVESRFDFRNVEASFE LNDASKTIKVLSESDFQVNQ LLDILRAKLLKRGIEGSSLD VPENIVHSGKTWFVEAKLKQ GIESATQKKIVKMIKDSKLK VQAQIQGDEIRVTGKSRDDL QAVMAMVRGGDLGQPFQFKN FRD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 SER 4 PHE 5 ASP 6 ILE 7 VAL 8 SER 9 GLU 10 VAL 11 ASP 12 LEU 13 GLN 14 GLU 15 ALA 16 ARG 17 ASN 18 ALA 19 VAL 20 ASP 21 ASN 22 ALA 23 SER 24 ARG 25 GLU 26 VAL 27 GLU 28 SER 29 ARG 30 PHE 31 ASP 32 PHE 33 ARG 34 ASN 35 VAL 36 GLU 37 ALA 38 SER 39 PHE 40 GLU 41 LEU 42 ASN 43 ASP 44 ALA 45 SER 46 LYS 47 THR 48 ILE 49 LYS 50 VAL 51 LEU 52 SER 53 GLU 54 SER 55 ASP 56 PHE 57 GLN 58 VAL 59 ASN 60 GLN 61 LEU 62 LEU 63 ASP 64 ILE 65 LEU 66 ARG 67 ALA 68 LYS 69 LEU 70 LEU 71 LYS 72 ARG 73 GLY 74 ILE 75 GLU 76 GLY 77 SER 78 SER 79 LEU 80 ASP 81 VAL 82 PRO 83 GLU 84 ASN 85 ILE 86 VAL 87 HIS 88 SER 89 GLY 90 LYS 91 THR 92 TRP 93 PHE 94 VAL 95 GLU 96 ALA 97 LYS 98 LEU 99 LYS 100 GLN 101 GLY 102 ILE 103 GLU 104 SER 105 ALA 106 THR 107 GLN 108 LYS 109 LYS 110 ILE 111 VAL 112 LYS 113 MET 114 ILE 115 LYS 116 ASP 117 SER 118 LYS 119 LEU 120 LYS 121 VAL 122 GLN 123 ALA 124 GLN 125 ILE 126 GLN 127 GLY 128 ASP 129 GLU 130 ILE 131 ARG 132 VAL 133 THR 134 GLY 135 LYS 136 SER 137 ARG 138 ASP 139 ASP 140 LEU 141 GLN 142 ALA 143 VAL 144 MET 145 ALA 146 MET 147 VAL 148 ARG 149 GLY 150 GLY 151 ASP 152 LEU 153 GLY 154 GLN 155 PRO 156 PHE 157 GLN 158 PHE 159 LYS 160 ASN 161 PHE 162 ARG 163 ASP 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 DBJ BAB33903 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 169 100.00 100.00 1.88e-111 DBJ BAE76206 "predicted nucleotide binding protein [Escherichia coli str. K-12 substr. W3110]" 100.00 163 100.00 100.00 1.85e-111 DBJ BAG75972 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 163 100.00 100.00 1.85e-111 DBJ BAI23797 "predicted nucleotide binding protein [Escherichia coli O26:H11 str. 11368]" 100.00 163 100.00 100.00 1.85e-111 DBJ BAI29268 "predicted nucleotide binding protein [Escherichia coli O103:H2 str. 12009]" 100.00 163 100.00 100.00 1.85e-111 EMBL CAP74960 "UPF0234 protein yajQ [Escherichia coli LF82]" 100.00 163 100.00 100.00 1.85e-111 EMBL CAQ30895 "nucleotide binding protein [Escherichia coli BL21(DE3)]" 100.00 163 100.00 100.00 1.85e-111 EMBL CAQ90094 "putative nucleotide binding protein (UPF0234 protein) [Escherichia fergusonii ATCC 35469]" 100.00 163 100.00 100.00 1.85e-111 EMBL CAQ97298 "putative nucleotide binding protein (UPF0234 protein) [Escherichia coli IAI1]" 100.00 163 100.00 100.00 1.85e-111 EMBL CAR01769 "putative nucleotide binding protein (UPF0234 protein) [Escherichia coli S88]" 100.00 163 100.00 100.00 1.85e-111 GB AAB40182 "similar to H. influenzae HI1034 [Escherichia coli]" 100.00 169 100.00 100.00 1.88e-111 GB AAC73529 "phage Phi6 host factor, ATP/GTP binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 163 100.00 100.00 1.85e-111 GB AAG54776 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 169 100.00 100.00 1.88e-111 GB AAN42021 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 163 99.39 99.39 1.16e-110 GB AAN79015 "Protein yajQ [Escherichia coli CFT073]" 100.00 219 100.00 100.00 1.25e-111 REF NP_286168 "nucleotide-binding protein [Escherichia coli O157:H7 str. EDL933]" 100.00 163 100.00 100.00 1.85e-111 REF NP_308507 "nucleotide-binding protein [Escherichia coli O157:H7 str. Sakai]" 100.00 163 100.00 100.00 1.85e-111 REF NP_414960 "phage Phi6 host factor, ATP/GTP binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 163 100.00 100.00 1.85e-111 REF NP_706314 "nucleotide-binding protein [Shigella flexneri 2a str. 301]" 100.00 163 99.39 99.39 1.16e-110 REF NP_752471 "nucleotide-binding protein [Escherichia coli CFT073]" 100.00 163 100.00 100.00 1.85e-111 SP A7ZII0 "RecName: Full=UPF0234 protein YajQ [Escherichia coli E24377A]" 100.00 163 100.00 100.00 1.85e-111 SP A7ZX79 "RecName: Full=UPF0234 protein YajQ [Escherichia coli HS]" 100.00 163 100.00 100.00 1.85e-111 SP B1J023 "RecName: Full=UPF0234 protein YajQ [Escherichia coli ATCC 8739]" 100.00 163 100.00 100.00 1.85e-111 SP B1LJH6 "RecName: Full=UPF0234 protein YajQ [Escherichia coli SMS-3-5]" 100.00 163 100.00 100.00 1.85e-111 SP B1XFL4 "RecName: Full=UPF0234 protein YajQ [Escherichia coli str. K-12 substr. DH10B]" 100.00 163 100.00 100.00 1.85e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YajQ 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 $YajQ 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YajQ 1.3 mM . H2O 95 % . D2O 5 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YajQ 1.1 mM [U-15N] H2O 95 % . D2O 5 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YajQ 1.0 mM '[U-15N; U-13C]' H2O 95 % . D2O 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_Sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TMS C 13 'methyl carbons' ppm 0.0 external direct . . . H2O H 1 protons ppm 4.68 internal direct . . . NH3 N 15 nitrogen ppm 0.0 external direct . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_Yajq _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $Sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name YajQ _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 . 3 SER H H 9.13 0.01 1 2 . 3 SER HA H 5.74 0.01 1 3 . 3 SER HB2 H 3.80 0.01 1 4 . 3 SER HB3 H 3.80 0.01 1 5 . 3 SER N N 115.7 0.1 1 6 . 3 SER CA C 55.8 0.1 1 7 . 4 PHE H H 8.71 0.01 1 8 . 4 PHE HA H 4.80 0.01 1 9 . 4 PHE HB2 H 3.11 0.01 2 10 . 4 PHE HB3 H 2.94 0.01 2 11 . 4 PHE HD1 H 6.83 0.01 1 12 . 4 PHE HD2 H 6.83 0.01 1 13 . 4 PHE N N 115.3 0.1 1 14 . 4 PHE CA C 54.2 0.1 1 15 . 5 ASP H H 9.10 0.01 1 16 . 5 ASP HA H 5.73 0.01 1 17 . 5 ASP HB2 H 2.36 0.01 1 18 . 5 ASP HB3 H 2.36 0.01 1 19 . 5 ASP N N 119.3 0.1 1 20 . 5 ASP CA C 54.8 0.1 1 21 . 6 ILE H H 9.64 0.01 1 22 . 6 ILE HA H 4.75 0.01 1 23 . 6 ILE HB H 1.75 0.01 2 24 . 6 ILE N N 123.3 0.1 1 25 . 7 VAL H H 8.68 0.01 1 26 . 7 VAL HA H 5.10 0.01 1 27 . 7 VAL HB H 2.28 0.01 1 28 . 7 VAL HG1 H 0.81 0.01 1 29 . 7 VAL HG2 H 0.81 0.01 1 30 . 7 VAL N N 119.4 0.1 1 31 . 7 VAL CA C 56.4 0.1 1 32 . 8 SER H H 8.81 0.01 1 33 . 8 SER HA H 4.77 0.01 1 34 . 8 SER HB2 H 3.40 0.01 1 35 . 8 SER HB3 H 3.40 0.01 1 36 . 8 SER N N 115.7 0.1 1 37 . 8 SER CA C 56.2 0.1 1 38 . 9 GLU H H 9.17 0.01 1 39 . 9 GLU HA H 4.86 0.01 1 40 . 9 GLU HB2 H 2.15 0.01 2 41 . 9 GLU HB3 H 1.84 0.01 2 42 . 9 GLU N N 126.7 0.1 1 43 . 9 GLU CA C 52.0 0.1 1 44 . 10 VAL H H 8.64 0.01 1 45 . 10 VAL HA H 4.06 0.01 1 46 . 10 VAL HB H 1.87 0.01 1 47 . 10 VAL HG1 H 0.85 0.01 2 48 . 10 VAL HG2 H 0.97 0.01 2 49 . 10 VAL N N 122.6 0.1 1 50 . 10 VAL CA C 59.1 0.1 1 51 . 11 ASP H H 8.60 0.01 1 52 . 11 ASP HA H 4.58 0.01 1 53 . 11 ASP HB2 H 2.60 0.01 2 54 . 11 ASP HB3 H 2.86 0.01 2 55 . 11 ASP N N 127.6 0.1 1 56 . 11 ASP CA C 51.2 0.1 1 57 . 12 LEU H H 8.74 0.01 1 58 . 12 LEU HA H 3.91 0.01 1 59 . 12 LEU HB2 H 1.79 0.01 1 60 . 12 LEU HB3 H 1.79 0.01 1 61 . 12 LEU HG H 1.63 0.01 1 62 . 12 LEU HD1 H 0.84 0.01 1 63 . 12 LEU HD2 H 0.84 0.01 1 64 . 12 LEU N N 129.3 0.1 1 65 . 12 LEU CA C 55.0 0.1 1 66 . 13 GLN H H 8.42 0.01 1 67 . 13 GLN HA H 4.08 0.01 1 68 . 13 GLN HB2 H 2.24 0.01 2 69 . 13 GLN HB3 H 2.40 0.01 2 70 . 13 GLN N N 120.8 0.1 1 71 . 13 GLN CA C 56.5 0.1 1 72 . 14 GLU H H 7.76 0.01 1 73 . 14 GLU HA H 4.58 0.01 1 74 . 14 GLU HB2 H 2.05 0.01 2 75 . 14 GLU N N 120.3 0.1 1 76 . 15 ALA H H 8.17 0.01 1 77 . 15 ALA HA H 3.78 0.01 1 78 . 15 ALA HB H 1.25 0.01 1 79 . 15 ALA N N 122.1 0.1 1 80 . 16 ARG H H 8.16 0.01 1 81 . 16 ARG HA H 3.71 0.01 1 82 . 16 ARG HB2 H 1.95 0.01 2 83 . 16 ARG N N 119.4 0.1 1 84 . 16 ARG CA C 58.0 0.1 1 85 . 17 ASN H H 8.03 0.01 1 86 . 17 ASN HA H 4.43 0.01 1 87 . 17 ASN HB2 H 3.00 0.01 2 88 . 17 ASN HB3 H 2.72 0.01 2 89 . 17 ASN N N 118.9 0.1 1 90 . 17 ASN CA C 53.6 0.1 1 91 . 18 ALA H H 8.25 0.01 1 92 . 18 ALA HA H 3.95 0.01 1 93 . 18 ALA HB H 1.35 0.01 1 94 . 18 ALA N N 123.1 0.1 1 95 . 18 ALA CA C 52.7 0.1 1 96 . 19 VAL H H 8.24 0.01 1 97 . 19 VAL HB H 2.18 0.01 1 98 . 19 VAL HG1 H 0.89 0.01 1 99 . 19 VAL HG2 H 0.89 0.01 1 100 . 19 VAL N N 120.0 0.1 1 101 . 19 VAL CA C 64.6 0.1 1 102 . 20 ASP H H 8.50 0.01 1 103 . 20 ASP HA H 4.42 0.01 1 104 . 20 ASP HB2 H 2.80 0.01 2 105 . 20 ASP HB3 H 2.72 0.01 2 106 . 20 ASP N N 122.8 0.1 1 107 . 20 ASP CA C 55.3 0.1 1 108 . 21 ASN H H 8.28 0.01 1 109 . 21 ASN HA H 4.45 0.01 1 110 . 21 ASN HB2 H 2.93 0.01 1 111 . 21 ASN HB3 H 2.93 0.01 1 112 . 21 ASN N N 119.3 0.1 1 113 . 21 ASN CA C 53.4 0.1 1 114 . 22 ALA H H 8.75 0.01 1 115 . 22 ALA HA H 3.69 0.01 1 116 . 22 ALA HB H 0.75 0.01 1 117 . 22 ALA N N 126.5 0.1 1 118 . 22 ALA CA C 52.8 0.1 1 119 . 23 SER H H 8.61 0.01 1 120 . 23 SER HA H 4.30 0.01 1 121 . 23 SER HB2 H 4.09 0.01 1 122 . 23 SER HB3 H 4.09 0.01 1 123 . 23 SER N N 116.4 0.1 1 124 . 23 SER CA C 52.6 0.1 1 125 . 24 ARG H H 8.03 0.01 1 126 . 24 ARG HA H 4.15 0.01 1 127 . 24 ARG HB2 H 1.95 0.01 2 128 . 24 ARG N N 121.3 0.1 1 129 . 24 ARG CA C 57.1 0.1 1 130 . 25 GLU H H 7.87 0.01 1 131 . 25 GLU HA H 4.10 0.01 1 132 . 25 GLU HB2 H 2.20 0.01 2 133 . 25 GLU N N 121.7 0.1 1 134 . 25 GLU CA C 57.6 0.1 1 135 . 26 VAL H H 8.09 0.01 1 136 . 26 VAL HA H 3.33 0.01 1 137 . 26 VAL HB H 2.22 0.01 1 138 . 26 VAL HG1 H 0.86 0.01 2 139 . 26 VAL HG2 H 0.69 0.01 2 140 . 26 VAL N N 119.9 0.1 1 141 . 26 VAL CA C 64.9 0.1 1 142 . 27 GLU H H 7.72 0.01 1 143 . 27 GLU HA H 4.16 0.01 1 144 . 27 GLU HB2 H 2.23 0.01 2 145 . 27 GLU HB3 H 2.19 0.01 2 146 . 27 GLU N N 118.1 0.1 1 147 . 27 GLU CA C 56.6 0.1 1 148 . 28 SER H H 7.54 0.01 1 149 . 28 SER HA H 4.03 0.01 1 150 . 28 SER HB2 H 3.67 0.01 2 151 . 28 SER N N 112.4 0.1 1 152 . 28 SER CA C 57.1 0.1 1 153 . 29 ARG H H 7.63 0.01 1 154 . 29 ARG HA H 4.50 0.01 1 155 . 29 ARG HB2 H 2.25 0.01 2 156 . 29 ARG N N 123.3 0.1 1 157 . 29 ARG CA C 53.4 0.1 1 158 . 30 PHE H H 7.53 0.01 1 159 . 30 PHE HA H 4.65 0.01 1 160 . 30 PHE HB2 H 3.37 0.01 2 161 . 30 PHE HB3 H 3.16 0.01 2 162 . 30 PHE N N 114.7 0.1 1 163 . 31 ASP H H 9.09 0.01 1 164 . 31 ASP HA H 4.25 0.01 1 165 . 31 ASP HB2 H 2.50 0.01 1 166 . 31 ASP HB3 H 2.50 0.01 1 167 . 31 ASP N N 115.6 0.1 1 168 . 31 ASP CA C 51.4 0.1 1 169 . 32 PHE H H 7.46 0.01 1 170 . 32 PHE HA H 4.47 0.01 1 171 . 32 PHE HB2 H 3.51 0.01 2 172 . 32 PHE HB3 H 2.79 0.01 2 173 . 32 PHE HD1 H 7.07 0.01 1 174 . 32 PHE HD2 H 7.07 0.01 1 175 . 32 PHE N N 118.0 0.1 1 176 . 32 PHE CA C 56.8 0.1 1 177 . 33 ARG H H 7.26 0.01 1 178 . 33 ARG HA H 4.18 0.01 1 179 . 33 ARG HB2 H 1.73 0.01 2 180 . 33 ARG HB3 H 1.81 0.01 2 181 . 33 ARG N N 121.7 0.1 1 182 . 33 ARG CA C 56.6 0.1 1 183 . 34 ASN H H 8.99 0.01 1 184 . 34 ASN HA H 4.53 0.01 1 185 . 34 ASN HB2 H 2.89 0.01 2 186 . 34 ASN HB3 H 3.04 0.01 2 187 . 34 ASN N N 118.5 0.1 1 188 . 34 ASN CA C 51.2 0.1 1 189 . 35 VAL H H 7.47 0.01 1 190 . 35 VAL HA H 4.23 0.01 1 191 . 35 VAL HB H 1.98 0.01 1 192 . 35 VAL HG1 H 0.91 0.01 2 193 . 35 VAL HG2 H 0.75 0.01 2 194 . 35 VAL N N 119.3 0.1 1 195 . 35 VAL CA C 59.0 0.1 1 196 . 36 GLU H H 9.37 0.01 1 197 . 36 GLU HA H 4.17 0.01 1 198 . 36 GLU HB2 H 1.96 0.01 2 199 . 36 GLU HB3 H 2.15 0.01 2 200 . 36 GLU N N 128.7 0.1 1 201 . 36 GLU CA C 55.2 0.1 1 202 . 37 ALA H H 8.15 0.01 1 203 . 37 ALA HA H 5.18 0.01 1 204 . 37 ALA HB H 1.24 0.01 1 205 . 37 ALA N N 130.2 0.1 1 206 . 37 ALA CA C 51.0 0.1 1 207 . 38 SER H H 8.77 0.01 1 208 . 38 SER HA H 4.70 0.01 1 209 . 38 SER HB2 H 3.79 0.01 1 210 . 38 SER HB3 H 3.79 0.01 1 211 . 38 SER N N 116.8 0.1 1 212 . 38 SER CA C 54.8 0.1 1 213 . 39 PHE H H 8.39 0.01 1 214 . 39 PHE HA H 5.48 0.01 1 215 . 39 PHE HB2 H 2.87 0.01 2 216 . 39 PHE HB3 H 2.65 0.01 2 217 . 39 PHE HD1 H 7.21 0.01 1 218 . 39 PHE HD2 H 7.21 0.01 1 219 . 39 PHE N N 118.2 0.1 1 220 . 39 PHE CA C 53.5 0.1 1 221 . 40 GLU H H 8.80 0.01 1 222 . 40 GLU HA H 4.69 0.01 1 223 . 40 GLU HB2 H 1.96 0.01 2 224 . 40 GLU HB3 H 2.23 0.01 2 225 . 40 GLU N N 121.5 0.1 1 226 . 40 GLU CA C 52.9 0.1 1 227 . 41 LEU H H 9.21 0.01 1 228 . 41 LEU HA H 4.99 0.01 1 229 . 41 LEU HB2 H 1.49 0.01 1 230 . 41 LEU HB3 H 1.49 0.01 1 231 . 41 LEU HG H 1.25 0.01 1 232 . 41 LEU HD1 H 0.84 0.01 1 233 . 41 LEU HD2 H 0.84 0.01 1 234 . 41 LEU N N 130.6 0.1 1 235 . 41 LEU CA C 51.4 0.1 1 236 . 42 ASN H H 9.10 0.01 1 237 . 42 ASN HA H 5.00 0.01 1 238 . 42 ASN HB2 H 3.22 0.01 2 239 . 42 ASN HB3 H 2.72 0.01 2 240 . 42 ASN N N 128.2 0.1 1 241 . 42 ASN CA C 51.2 0.1 1 242 . 43 ASP H H 8.81 0.01 1 243 . 43 ASP HA H 4.66 0.01 1 244 . 43 ASP HB2 H 2.70 0.01 1 245 . 43 ASP HB3 H 2.70 0.01 1 246 . 43 ASP N N 126.2 0.1 1 247 . 43 ASP CA C 55.0 0.1 1 248 . 44 ALA H H 8.22 0.01 1 249 . 44 ALA HA H 4.25 0.01 1 250 . 44 ALA HB H 1.53 0.01 1 251 . 44 ALA N N 121.5 0.1 1 252 . 44 ALA CA C 51.2 0.1 1 253 . 45 SER H H 7.67 0.01 1 254 . 45 SER HA H 4.50 0.01 1 255 . 45 SER HB2 H 3.94 0.01 2 256 . 45 SER HB3 H 3.77 0.01 2 257 . 45 SER N N 119.6 0.1 1 258 . 45 SER CA C 55.7 0.1 1 259 . 46 LYS H H 8.22 0.01 1 260 . 46 LYS HA H 4.69 0.01 1 261 . 46 LYS HB2 H 1.96 0.01 1 262 . 46 LYS HB3 H 1.96 0.01 1 263 . 46 LYS N N 120.7 0.1 1 264 . 46 LYS CA C 55.8 0.1 1 265 . 47 THR H H 7.57 0.01 1 266 . 47 THR HA H 5.25 0.01 1 267 . 47 THR HB H 3.99 0.01 1 268 . 47 THR HG2 H 1.12 0.01 1 269 . 47 THR N N 108.1 0.1 1 270 . 47 THR CA C 57.8 0.1 1 271 . 48 ILE H H 9.24 0.01 1 272 . 48 ILE HA H 4.94 0.01 1 273 . 48 ILE N N 122.4 0.1 1 274 . 48 ILE CA C 58.0 0.1 1 275 . 49 LYS H H 9.15 0.01 1 276 . 49 LYS HA H 5.17 0.01 1 277 . 49 LYS HB2 H 1.80 0.01 2 278 . 49 LYS N N 130.4 0.1 1 279 . 49 LYS CA C 53.3 0.1 1 280 . 50 VAL H H 9.01 0.01 1 281 . 50 VAL HA H 4.57 0.01 1 282 . 50 VAL HB H 2.13 0.01 1 283 . 50 VAL HG1 H 1.04 0.01 2 284 . 50 VAL HG2 H 0.85 0.01 2 285 . 50 VAL N N 130.6 0.1 1 286 . 50 VAL CA C 59.4 0.1 1 287 . 51 LEU H H 8.49 0.01 1 288 . 51 LEU HA H 5.54 0.01 1 289 . 51 LEU HB2 H 1.67 0.01 1 290 . 51 LEU HB3 H 1.67 0.01 1 291 . 51 LEU HG H 1.41 0.01 1 292 . 51 LEU HD1 H 0.72 0.01 2 293 . 51 LEU N N 128.4 0.1 1 294 . 51 LEU CA C 51.3 0.1 1 295 . 52 SER H H 9.17 0.01 1 296 . 52 SER HA H 4.90 0.01 1 297 . 52 SER N N 116.4 0.1 1 298 . 52 SER CA C 54.6 0.1 1 299 . 53 GLU H H 8.48 0.01 1 300 . 53 GLU HA H 4.99 0.01 1 301 . 53 GLU HB2 H 2.10 0.01 1 302 . 53 GLU HB3 H 2.10 0.01 1 303 . 53 GLU HG2 H 2.67 0.01 1 304 . 53 GLU HG3 H 2.67 0.01 1 305 . 53 GLU N N 119.4 0.1 1 306 . 53 GLU CA C 51.4 0.1 1 307 . 54 SER H H 7.51 0.01 1 308 . 54 SER HA H 3.16 0.01 1 309 . 54 SER N N 109.6 0.1 1 310 . 54 SER CA C 55.2 0.1 1 311 . 55 ASP H H 7.67 0.01 1 312 . 55 ASP HA H 3.70 0.01 1 313 . 55 ASP HB2 H 2.16 0.01 2 314 . 55 ASP HB3 H 2.35 0.01 2 315 . 55 ASP N N 121.4 0.1 1 316 . 55 ASP CA C 54.5 0.1 1 317 . 56 PHE H H 8.08 0.01 1 318 . 56 PHE HA H 4.28 0.01 1 319 . 56 PHE HB2 H 3.19 0.01 2 320 . 56 PHE HB3 H 2.83 0.01 2 321 . 56 PHE HD1 H 7.13 0.01 1 322 . 56 PHE HD2 H 7.13 0.01 1 323 . 56 PHE N N 121.7 0.1 1 324 . 56 PHE CA C 60.0 0.1 1 325 . 57 GLN H H 7.79 0.01 1 326 . 57 GLN HA H 4.20 0.01 2 327 . 57 GLN HB2 H 2.05 0.01 1 328 . 57 GLN HB3 H 2.05 0.01 1 329 . 57 GLN HG2 H 2.35 0.01 1 330 . 57 GLN HG3 H 2.35 0.01 1 331 . 57 GLN N N 119.4 0.1 1 332 . 57 GLN CA C 57.4 0.1 1 333 . 58 VAL H H 7.84 0.01 1 334 . 58 VAL HA H 3.42 0.01 1 335 . 58 VAL HB H 2.17 0.01 1 336 . 58 VAL HG1 H 0.99 0.01 2 337 . 58 VAL HG2 H 0.84 0.01 2 338 . 58 VAL N N 120.7 0.1 1 339 . 58 VAL CA C 65.6 0.1 1 340 . 59 ASN H H 7.95 0.01 1 341 . 59 ASN HA H 4.47 0.01 1 342 . 59 ASN HB2 H 2.75 0.01 1 343 . 59 ASN HB3 H 2.75 0.01 1 344 . 59 ASN N N 118.4 0.1 1 345 . 59 ASN CA C 54.7 0.1 1 346 . 60 GLN H H 7.98 0.01 1 347 . 60 GLN HA H 4.15 0.01 1 348 . 60 GLN HB2 H 2.54 0.01 2 349 . 60 GLN HB3 H 2.14 0.01 2 350 . 60 GLN N N 120.4 0.1 1 351 . 60 GLN CA C 57.6 0.1 1 352 . 61 LEU H H 8.33 0.01 1 353 . 61 LEU HA H 4.02 0.01 1 354 . 61 LEU N N 121.5 0.1 1 355 . 61 LEU CA C 56.0 0.1 1 356 . 62 LEU H H 8.69 0.01 1 357 . 62 LEU HA H 4.16 0.01 1 358 . 62 LEU HB2 H 2.15 0.01 1 359 . 62 LEU HB3 H 2.15 0.01 1 360 . 62 LEU HG H 1.47 0.01 1 361 . 62 LEU HD1 H 0.85 0.01 1 362 . 62 LEU HD2 H 0.85 0.01 1 363 . 62 LEU N N 121.8 0.1 1 364 . 62 LEU CA C 56.2 0.1 1 365 . 63 ASP H H 7.79 0.01 1 366 . 63 ASP HA H 4.51 0.01 1 367 . 63 ASP HB2 H 2.90 0.01 2 368 . 63 ASP HB3 H 2.72 0.01 2 369 . 63 ASP N N 120.5 0.1 1 370 . 63 ASP CA C 56.1 0.1 1 371 . 64 ILE H H 7.73 0.01 1 372 . 64 ILE HA H 3.82 0.01 1 373 . 64 ILE N N 123.1 0.1 1 374 . 64 ILE CA C 62.6 0.1 1 375 . 65 LEU H H 8.64 0.01 1 376 . 65 LEU HA H 3.64 0.01 1 377 . 65 LEU HB2 H 1.60 0.01 1 378 . 65 LEU HB3 H 1.60 0.01 1 379 . 65 LEU N N 120.9 0.1 1 380 . 65 LEU CA C 56.2 0.1 1 381 . 66 ARG H H 8.96 0.01 1 382 . 66 ARG HA H 3.79 0.01 1 383 . 66 ARG N N 118.0 0.1 1 384 . 66 ARG CA C 58.3 0.1 1 385 . 67 ALA H H 7.65 0.01 1 386 . 67 ALA HA H 4.22 0.01 1 387 . 67 ALA HB H 1.59 0.01 1 388 . 67 ALA N N 122.0 0.1 1 389 . 67 ALA CA C 52.7 0.1 1 390 . 68 LYS H H 8.17 0.01 1 391 . 68 LYS HA H 4.05 0.01 1 392 . 68 LYS N N 117.1 0.1 1 393 . 68 LYS CA C 54.8 0.1 1 394 . 69 LEU H H 8.71 0.01 1 395 . 69 LEU HA H 3.77 0.01 1 396 . 69 LEU HB2 H 1.82 0.01 1 397 . 69 LEU HB3 H 1.82 0.01 1 398 . 69 LEU HG H 1.55 0.01 1 399 . 69 LEU HD1 H 0.67 0.01 1 400 . 69 LEU HD2 H 0.67 0.01 1 401 . 70 LEU N N 121.8 0.1 1 402 . 70 LEU CA C 56.4 0.1 1 403 . 70 LEU H H 7.98 0.01 1 404 . 70 LEU HA H 4.06 0.01 1 405 . 70 LEU HB2 H 1.79 0.01 1 406 . 70 LEU HB3 H 1.79 0.01 1 407 . 71 LYS H H 7.46 0.01 1 408 . 71 LYS HA H 4.15 0.01 1 409 . 71 LYS N N 119.0 0.1 1 410 . 71 LYS CA C 56.0 0.1 1 411 . 72 ARG H H 7.40 0.01 1 412 . 72 ARG HA H 4.47 0.01 1 413 . 72 ARG HB2 H 1.78 0.01 2 414 . 72 ARG HB3 H 1.69 0.01 2 415 . 72 ARG N N 116.4 0.1 1 416 . 72 ARG CA C 50.6 0.1 1 417 . 73 GLY H H 7.87 0.01 1 418 . 73 GLY HA2 H 4.15 0.01 2 419 . 73 GLY HA3 H 3.76 0.01 2 420 . 73 GLY N N 107.2 0.1 1 421 . 73 GLY CA C 43.0 0.1 1 422 . 74 ILE H H 7.96 0.01 1 423 . 74 ILE HA H 4.16 0.01 1 424 . 74 ILE HB H 1.54 0.01 1 425 . 74 ILE N N 123.8 0.1 1 426 . 74 ILE CA C 58.0 0.1 1 427 . 75 GLU H H 8.44 0.01 1 428 . 75 GLU HA H 4.12 0.01 1 429 . 75 GLU HB2 H 1.86 0.01 1 430 . 75 GLU HB3 H 1.86 0.01 1 431 . 75 GLU HG2 H 2.22 0.01 2 432 . 75 GLU N N 126.1 0.1 1 433 . 75 GLU CA C 54.2 0.1 1 434 . 76 GLY H H 8.68 0.01 1 435 . 76 GLY HA2 H 3.97 0.01 2 436 . 76 GLY HA3 H 3.77 0.01 2 437 . 76 GLY N N 109.9 0.1 1 438 . 76 GLY CA C 45.2 0.1 1 439 . 77 SER H H 7.98 0.01 1 440 . 77 SER HA H 4.40 0.01 1 441 . 77 SER N N 114.0 0.1 1 442 . 77 SER CA C 57.2 0.1 1 443 . 78 SER H H 7.98 0.01 1 444 . 78 SER HA H 4.40 0.01 1 445 . 78 SER HB2 H 3.92 0.01 2 446 . 78 SER HB3 H 3.84 0.01 2 447 . 78 SER N N 117.5 0.1 1 448 . 78 SER CA C 58.2 0.1 1 449 . 79 LEU H H 7.58 0.01 1 450 . 79 LEU HA H 4.94 0.01 1 451 . 79 LEU HB2 H 1.79 0.01 1 452 . 79 LEU HB3 H 1.79 0.01 1 453 . 79 LEU HG H 1.20 0.01 1 454 . 79 LEU HD1 H 0.65 0.01 1 455 . 79 LEU HD2 H 0.65 0.01 1 456 . 79 LEU N N 122.0 0.1 1 457 . 79 LEU CA C 50.7 0.1 1 458 . 80 ASP H H 9.40 0.01 1 459 . 80 ASP HA H 4.86 0.01 1 460 . 80 ASP HB2 H 2.92 0.01 2 461 . 80 ASP HB3 H 2.36 0.01 2 462 . 80 ASP N N 127.9 0.1 1 463 . 80 ASP CA C 50.0 0.1 1 464 . 81 VAL H H 8.49 0.01 1 465 . 81 VAL HA H 4.51 0.01 1 466 . 81 VAL HB H 2.08 0.01 1 467 . 81 VAL HG1 H 1.05 0.01 2 468 . 81 VAL HG2 H 0.91 0.01 2 469 . 81 VAL N N 127.3 0.1 1 470 . 81 VAL CA C 57.5 0.1 1 471 . 83 GLU H H 8.45 0.01 1 472 . 83 GLU HA H 4.17 0.01 1 473 . 83 GLU HB2 H 2.05 0.01 2 474 . 83 GLU HB3 H 2.08 0.01 2 475 . 83 GLU HG2 H 2.33 0.01 1 476 . 83 GLU HG3 H 2.33 0.01 1 477 . 83 GLU N N 118.9 0.1 1 478 . 83 GLU CA C 54.9 0.1 1 479 . 84 ASN H H 7.62 0.01 1 480 . 84 ASN HA H 4.89 0.01 1 481 . 84 ASN HB2 H 2.65 0.01 1 482 . 84 ASN HB3 H 2.65 0.01 1 483 . 84 ASN N N 115.7 0.1 1 484 . 84 ASN CA C 49.0 0.1 1 485 . 85 ILE H H 8.29 0.01 1 486 . 85 ILE HA H 4.07 0.01 1 487 . 85 ILE HB H 1.94 0.01 1 488 . 85 ILE N N 124.3 0.1 1 489 . 85 ILE CA C 59.7 0.1 1 490 . 86 VAL H H 8.50 0.01 1 491 . 86 VAL HA H 3.73 0.01 1 492 . 86 VAL HB H 0.81 0.01 1 493 . 86 VAL HG1 H 0.64 0.01 2 494 . 86 VAL HG2 H 0.50 0.01 2 495 . 86 VAL N N 129.3 0.1 1 496 . 86 VAL CA C 59.4 0.1 1 497 . 87 HIS H H 8.54 0.01 1 498 . 87 HIS HA H 4.35 0.01 1 499 . 87 HIS HB2 H 3.69 0.01 2 500 . 87 HIS HB3 H 3.54 0.01 2 501 . 87 HIS HD1 H 6.13 0.01 4 502 . 87 HIS HE1 H 8.35 0.01 4 503 . 87 HIS N N 122.6 0.1 1 504 . 87 HIS CA C 53.5 0.1 1 505 . 88 SER H H 8.08 0.01 1 506 . 88 SER HA H 4.53 0.01 1 507 . 88 SER HB2 H 2.29 0.01 2 508 . 88 SER HB3 H 1.30 0.01 2 509 . 88 SER N N 124.0 0.1 1 510 . 91 THR H H 7.98 0.01 1 511 . 91 THR HA H 4.97 0.01 1 512 . 91 THR HB H 4.31 0.01 1 513 . 91 THR HG2 H 1.30 0.01 1 514 . 91 THR N N 111.6 0.1 1 515 . 91 THR CA C 60.0 0.1 1 516 . 92 TRP H H 8.98 0.01 1 517 . 92 TRP HA H 5.62 0.01 1 518 . 92 TRP HB2 H 2.47 0.01 2 519 . 92 TRP HB3 H 2.78 0.01 2 520 . 92 TRP HD1 H 6.83 0.01 1 521 . 92 TRP N N 125.7 0.1 1 522 . 92 TRP CA C 53.1 0.1 1 523 . 93 PHE H H 9.22 0.01 1 524 . 93 PHE HA H 6.09 0.01 1 525 . 93 PHE HD1 H 6.80 0.01 1 526 . 93 PHE HD2 H 6.80 0.01 1 527 . 93 PHE N N 117.1 0.1 1 528 . 93 PHE CA C 54.2 0.1 1 529 . 94 VAL H H 8.73 0.01 1 530 . 94 VAL HA H 4.74 0.01 1 531 . 94 VAL HB H 2.15 0.01 1 532 . 94 VAL HG1 H 1.03 0.01 2 533 . 94 VAL HG2 H 0.84 0.01 2 534 . 94 VAL N N 114.8 0.1 1 535 . 94 VAL CA C 58.1 0.1 1 536 . 95 GLU H H 8.62 0.01 1 537 . 95 GLU HA H 4.97 0.01 1 538 . 95 GLU HB2 H 2.00 0.01 2 539 . 95 GLU HB3 H 2.22 0.01 2 540 . 95 GLU N N 126.1 0.1 1 541 . 95 GLU CA C 53.0 0.1 1 542 . 96 ALA H H 9.03 0.01 1 543 . 96 ALA HA H 4.85 0.01 1 544 . 96 ALA HB H 1.30 0.01 1 545 . 96 ALA N N 128.3 0.1 1 546 . 96 ALA CA C 49.0 0.1 1 547 . 97 LYS H H 8.72 0.01 1 548 . 97 LYS HA H 4.86 0.01 1 549 . 97 LYS HB2 H 1.98 0.01 2 550 . 97 LYS HB3 H 1.85 0.01 2 551 . 97 LYS HG2 H 1.49 0.01 1 552 . 97 LYS HG3 H 1.49 0.01 1 553 . 97 LYS N N 123.5 0.1 1 554 . 97 LYS CA C 53.0 0.1 1 555 . 98 LEU H H 8.38 0.01 1 556 . 98 LEU HA H 4.82 0.01 1 557 . 98 LEU HB2 H 1.85 0.01 1 558 . 98 LEU HB3 H 1.85 0.01 1 559 . 98 LEU HG H 1.22 0.01 1 560 . 98 LEU HD1 H 0.70 0.01 1 561 . 98 LEU HD2 H 0.67 0.01 1 562 . 98 LEU N N 124.9 0.1 1 563 . 98 LEU CA C 51.0 0.1 1 564 . 99 LYS H H 8.66 0.01 1 565 . 99 LYS HA H 4.22 0.01 1 566 . 99 LYS HB2 H 1.65 0.01 1 567 . 99 LYS HB3 H 1.78 0.01 1 568 . 99 LYS HG2 H 1.38 0.01 1 569 . 99 LYS N N 125.7 0.1 1 570 . 99 LYS CA C 55.1 0.1 1 571 . 100 GLN H H 8.08 0.01 1 572 . 100 GLN HA H 4.77 0.01 1 573 . 100 GLN HB2 H 2.13 0.01 2 574 . 100 GLN HB3 H 2.39 0.01 2 575 . 100 GLN N N 122.9 0.1 1 576 . 100 GLN CA C 51.5 0.1 1 577 . 101 GLY H H 8.81 0.01 1 578 . 101 GLY HA2 H 4.50 0.01 2 579 . 101 GLY HA3 H 4.30 0.01 2 580 . 101 GLY N N 113.4 0.1 1 581 . 101 GLY CA C 41.4 0.1 1 582 . 102 ILE H H 8.13 0.01 1 583 . 102 ILE HA H 4.16 0.01 1 584 . 102 ILE HB H 1.52 0.01 1 585 . 102 ILE N N 122.0 0.1 1 586 . 102 ILE CA C 58.9 0.1 1 587 . 103 GLU H H 8.82 0.01 1 588 . 103 GLU HA H 4.29 0.01 1 589 . 103 GLU HB2 H 2.15 0.01 1 590 . 103 GLU HB3 H 2.15 0.01 1 591 . 103 GLU HG2 H 2.47 0.01 1 592 . 103 GLU HG3 H 2.47 0.01 1 593 . 103 GLU N N 129.3 0.1 1 594 . 103 GLU CA C 54.9 0.1 1 595 . 104 SER H H 7.18 0.01 1 596 . 104 SER HA H 4.18 0.01 1 597 . 104 SER HB2 H 3.39 0.01 1 598 . 104 SER HB3 H 3.39 0.01 1 599 . 104 SER N N 110.2 0.1 1 600 . 105 ALA H H 8.96 0.01 1 601 . 105 ALA HA H 4.69 0.01 1 602 . 105 ALA HB H 1.57 0.01 1 603 . 105 ALA N N 122.8 0.1 1 604 . 106 THR H H 7.51 0.01 1 605 . 106 THR HA H 4.43 0.01 1 606 . 106 THR HB H 3.97 0.01 1 607 . 106 THR HG2 H 1.44 0.01 1 608 . 106 THR N N 117.5 0.1 1 609 . 106 THR CA C 63.6 0.1 1 610 . 107 GLN H H 8.69 0.01 1 611 . 107 GLN HA H 3.71 0.01 1 612 . 107 GLN HB2 H 2.61 0.01 2 613 . 107 GLN HB3 H 2.41 0.01 2 614 . 107 GLN N N 122.6 0.1 1 615 . 107 GLN CA C 56.4 0.1 1 616 . 108 LYS H H 7.95 0.01 1 617 . 108 LYS HA H 3.89 0.01 1 618 . 108 LYS HB2 H 1.90 0.01 1 619 . 108 LYS HB3 H 1.90 0.01 1 620 . 108 LYS N N 116.7 0.1 1 621 . 108 LYS CA C 58.1 0.1 1 622 . 109 LYS H H 7.58 0.01 1 623 . 109 LYS HA H 4.07 0.01 1 624 . 109 LYS HB2 H 2.06 0.01 1 625 . 109 LYS HB3 H 2.06 0.01 1 626 . 109 LYS N N 120.8 0.1 1 627 . 109 LYS CA C 58.3 0.1 1 628 . 110 ILE H H 8.18 0.01 1 629 . 110 ILE HA H 3.65 0.01 1 630 . 110 ILE HB H 1.78 0.01 1 631 . 110 ILE N N 121.2 0.1 1 632 . 110 ILE CA C 63.2 0.1 1 633 . 111 VAL H H 8.11 0.01 1 634 . 111 VAL HA H 3.38 0.01 1 635 . 111 VAL HB H 2.12 0.01 1 636 . 111 VAL HG1 H 0.97 0.01 1 637 . 111 VAL HG2 H 0.97 0.01 1 638 . 111 VAL N N 118.6 0.1 1 639 . 111 VAL CA C 65.5 0.1 1 640 . 112 LYS H H 7.92 0.01 1 641 . 112 LYS HA H 4.04 0.01 1 642 . 112 LYS HB2 H 1.98 0.01 2 643 . 112 LYS N N 121.3 0.1 1 644 . 112 LYS CA C 58.0 0.1 1 645 . 113 MET H H 8.14 0.01 1 646 . 113 MET HA H 4.12 0.01 1 647 . 113 MET N N 119.4 0.1 1 648 . 113 MET CA C 57.5 0.1 1 649 . 114 ILE H H 8.13 0.01 1 650 . 114 ILE HA H 4.11 0.01 1 651 . 114 ILE N N 119.8 0.1 1 652 . 114 ILE CA C 63.6 0.1 1 653 . 115 LYS H H 8.81 0.01 1 654 . 115 LYS HA H 4.09 0.01 1 655 . 115 LYS HB2 H 2.03 0.01 1 656 . 115 LYS HB3 H 2.03 0.01 1 657 . 115 LYS N N 126.4 0.1 1 658 . 115 LYS CA C 58.2 0.1 1 659 . 116 ASP H H 8.88 0.01 1 660 . 116 ASP HA H 4.48 0.01 1 661 . 116 ASP HB2 H 2.74 0.01 2 662 . 116 ASP HB3 H 2.72 0.01 2 663 . 116 ASP N N 120.1 0.1 1 664 . 116 ASP CA C 53.8 0.1 1 665 . 117 SER H H 7.65 0.01 1 666 . 117 SER HA H 4.25 0.01 1 667 . 117 SER HB2 H 4.04 0.01 1 668 . 117 SER HB3 H 4.04 0.01 1 669 . 117 SER N N 115.7 0.1 1 670 . 117 SER CA C 59.5 0.1 1 671 . 118 LYS H H 7.68 0.01 1 672 . 118 LYS HA H 4.06 0.01 1 673 . 118 LYS HB2 H 2.18 0.01 2 674 . 118 LYS HB3 H 2.09 0.01 2 675 . 118 LYS N N 114.2 0.1 1 676 . 118 LYS CA C 56.1 0.1 1 677 . 119 LEU H H 7.85 0.01 1 678 . 119 LEU HA H 4.34 0.01 1 679 . 119 LEU HB2 H 1.58 0.01 1 680 . 119 LEU HB3 H 1.58 0.01 1 681 . 119 LEU HG H 1.17 0.01 1 682 . 119 LEU HD1 H 0.86 0.01 1 683 . 119 LEU HD2 H 0.86 0.01 1 684 . 119 LEU N N 121.2 0.1 1 685 . 119 LEU CA C 52.4 0.1 1 686 . 120 LYS H H 9.07 0.01 1 687 . 120 LYS HA H 4.50 0.01 1 688 . 120 LYS HB2 H 1.86 0.01 1 689 . 120 LYS HB3 H 1.86 0.01 1 690 . 120 LYS N N 126.2 0.1 1 691 . 120 LYS CA C 52.6 0.1 1 692 . 121 VAL H H 7.97 0.01 1 693 . 121 VAL HA H 5.02 0.01 1 694 . 121 VAL HB H 1.87 0.01 1 695 . 121 VAL HG1 H 0.70 0.01 2 696 . 121 VAL HG2 H 0.50 0.01 2 697 . 121 VAL N N 117.4 0.1 1 698 . 121 VAL CA C 56.4 0.1 1 699 . 122 GLN H H 8.99 0.01 1 700 . 122 GLN HA H 4.69 0.01 1 701 . 122 GLN HB2 H 1.93 0.01 2 702 . 122 GLN HB3 H 2.01 0.01 2 703 . 122 GLN N N 121.2 0.1 1 704 . 122 GLN CA C 51.7 0.1 1 705 . 123 ALA H H 8.76 0.01 1 706 . 123 ALA HA H 5.30 0.01 1 707 . 123 ALA HB H 1.17 0.01 1 708 . 123 ALA N N 126.6 0.1 1 709 . 123 ALA CA C 48.2 0.1 1 710 . 124 GLN H H 9.03 0.01 1 711 . 124 GLN HA H 4.68 0.01 1 712 . 124 GLN HB2 H 1.98 0.01 2 713 . 124 GLN HB3 H 1.92 0.01 2 714 . 124 GLN HG2 H 2.23 0.01 1 715 . 124 GLN HG3 H 2.23 0.01 1 716 . 124 GLN N N 122.0 0.1 1 717 . 124 GLN CA C 51.0 0.1 1 718 . 125 ILE H H 8.80 0.01 1 719 . 125 ILE HA H 3.93 0.01 1 720 . 125 ILE HB H 1.80 0.01 1 721 . 125 ILE N N 127.8 0.1 1 722 . 125 ILE CA C 59.9 0.1 1 723 . 126 GLN H H 8.22 0.01 1 724 . 126 GLN HA H 4.67 0.01 1 725 . 126 GLN HB2 H 1.81 0.01 2 726 . 126 GLN HB3 H 1.93 0.01 2 727 . 126 GLN HG2 H 2.15 0.01 2 728 . 126 GLN HG3 H 2.26 0.01 2 729 . 126 GLN N N 130.4 0.1 1 730 . 126 GLN CA C 54.6 0.1 1 731 . 127 GLY H H 7.30 0.01 1 732 . 127 GLY HA2 H 4.64 0.01 2 733 . 127 GLY HA3 H 3.30 0.01 2 734 . 127 GLY N N 115.4 0.1 1 735 . 127 GLY CA C 45.2 0.1 1 736 . 128 ASP H H 8.63 0.01 1 737 . 128 ASP HA H 4.80 0.01 1 738 . 128 ASP HB2 H 2.83 0.01 2 739 . 128 ASP HB3 H 2.90 0.01 2 740 . 128 ASP N N 128.6 0.1 1 741 . 128 ASP CA C 51.1 0.1 1 742 . 129 GLU H H 8.04 0.01 1 743 . 129 GLU HA H 4.99 0.01 1 744 . 129 GLU HB2 H 2.23 0.01 1 745 . 129 GLU HB3 H 2.23 0.01 1 746 . 129 GLU HG2 H 2.45 0.01 1 747 . 129 GLU HG3 H 2.45 0.01 1 748 . 129 GLU N N 120.3 0.1 1 749 . 129 GLU CA C 51.4 0.1 1 750 . 130 ILE H H 8.41 0.01 1 751 . 130 ILE HA H 4.67 0.01 1 752 . 130 ILE HB H 1.60 0.01 1 753 . 130 ILE N N 119.3 0.1 1 754 . 130 ILE CA C 57.6 0.1 1 755 . 131 ARG H H 8.93 0.01 1 756 . 131 ARG HA H 5.13 0.01 1 757 . 131 ARG HB2 H 1.73 0.01 1 758 . 131 ARG HB3 H 1.73 0.01 1 759 . 131 ARG N N 129.3 0.1 1 760 . 131 ARG CA C 52.5 0.1 1 761 . 132 VAL H H 9.21 0.01 1 762 . 132 VAL HA H 4.83 0.01 1 763 . 132 VAL HB H 1.08 0.01 1 764 . 132 VAL HG1 H 0.64 0.01 2 765 . 132 VAL HG2 H 0.53 0.01 2 766 . 132 VAL N N 131.3 0.1 1 767 . 132 VAL CA C 52.2 0.1 1 768 . 133 THR H H 8.65 0.01 1 769 . 133 THR HA H 5.08 0.01 1 770 . 133 THR HB H 3.90 0.01 1 771 . 133 THR HG2 H 1.16 0.01 1 772 . 133 THR N N 120.0 0.1 1 773 . 134 GLY H H 8.60 0.01 1 774 . 134 GLY HA2 H 4.65 0.01 2 775 . 134 GLY HA3 H 3.77 0.01 2 776 . 134 GLY N N 110.8 0.1 1 777 . 134 GLY CA C 42.8 0.1 1 778 . 136 SER H H 8.10 0.01 1 779 . 136 SER HA H 4.91 0.01 1 780 . 136 SER HB2 H 4.00 0.01 2 781 . 136 SER HB3 H 3.88 0.01 2 782 . 136 SER N N 111.6 0.1 1 783 . 136 SER CA C 53.0 0.1 1 784 . 137 ARG H H 8.82 0.01 1 785 . 137 ARG HA H 4.72 0.01 1 786 . 137 ARG HB2 H 1.94 0.01 1 787 . 137 ARG HB3 H 1.94 0.01 1 788 . 137 ARG N N 121.0 0.1 1 789 . 137 ARG CA C 52.0 0.1 1 790 . 138 ASP H H 8.17 0.01 1 791 . 138 ASP HA H 4.42 0.01 1 792 . 138 ASP HB2 H 2.55 0.01 2 793 . 138 ASP HB3 H 2.78 0.01 2 794 . 138 ASP N N 127.7 0.1 1 795 . 138 ASP CA C 55.0 0.1 1 796 . 139 ASP H H 7.54 0.01 1 797 . 139 ASP HA H 4.40 0.01 1 798 . 139 ASP HB2 H 2.37 0.01 2 799 . 139 ASP HB3 H 2.78 0.01 2 800 . 139 ASP N N 122.0 0.1 1 801 . 139 ASP CA C 54.9 0.1 1 802 . 140 LEU H H 7.35 0.01 1 803 . 140 LEU HA H 3.95 0.01 1 804 . 140 LEU HB2 H 2.01 0.01 1 805 . 140 LEU HB3 H 2.01 0.01 1 806 . 140 LEU HG H 1.57 0.01 1 807 . 140 LEU HD1 H 0.81 0.01 2 808 . 140 LEU HD2 H 0.70 0.01 2 809 . 140 LEU N N 118.6 0.1 1 810 . 140 LEU CA C 56.2 0.1 1 811 . 141 GLN H H 8.22 0.01 1 812 . 141 GLN HA H 3.95 0.01 1 813 . 141 GLN HB2 H 2.23 0.01 2 814 . 141 GLN N N 119.2 0.1 1 815 . 141 GLN CA C 57.0 0.1 1 816 . 142 ALA H H 7.82 0.01 1 817 . 142 ALA HA H 4.23 0.01 1 818 . 142 ALA HB H 1.61 0.01 1 819 . 142 ALA N N 123.8 0.1 1 820 . 142 ALA CA C 52.2 0.1 1 821 . 143 VAL H H 7.89 0.01 1 822 . 143 VAL HA H 3.67 0.01 1 823 . 143 VAL HB H 2.51 0.01 1 824 . 143 VAL HG1 H 1.13 0.01 1 825 . 143 VAL HG2 H 1.13 0.01 1 826 . 143 VAL N N 120.2 0.1 1 827 . 143 VAL CA C 64.2 0.1 1 828 . 144 MET H H 7.84 0.01 1 829 . 144 MET HA H 3.35 0.01 1 830 . 144 MET N N 119.4 0.1 1 831 . 144 MET CA C 57.5 0.1 1 832 . 145 ALA H H 7.73 0.01 1 833 . 145 ALA HA H 4.07 0.01 1 834 . 145 ALA HB H 1.48 0.01 1 835 . 145 ALA N N 119.7 0.1 1 836 . 145 ALA CA C 52.4 0.1 1 837 . 146 MET H H 7.96 0.01 1 838 . 146 MET HA H 4.10 0.01 1 839 . 146 MET HB2 H 2.30 0.01 2 840 . 146 MET HB3 H 2.66 0.01 2 841 . 146 MET N N 119.7 0.1 1 842 . 146 MET CA C 56.8 0.1 1 843 . 147 VAL H H 8.17 0.01 1 844 . 147 VAL HA H 3.65 0.01 1 845 . 147 VAL HB H 2.30 0.01 1 846 . 147 VAL HG1 H 0.97 0.01 2 847 . 147 VAL HG2 H 0.64 0.01 2 848 . 147 VAL N N 119.2 0.1 1 849 . 147 VAL CA C 63.9 0.1 1 850 . 148 ARG H H 8.47 0.01 1 851 . 148 ARG HA H 4.39 0.01 1 852 . 148 ARG HB2 H 2.03 0.01 2 853 . 148 ARG N N 119.5 0.1 1 854 . 148 ARG CA C 57.5 0.1 1 855 . 149 GLY H H 7.81 0.01 1 856 . 149 GLY HA2 H 4.40 0.01 2 857 . 149 GLY HA3 H 3.79 0.01 2 858 . 149 GLY N N 105.3 0.1 1 859 . 149 GLY CA C 42.7 0.1 1 860 . 150 GLY H H 7.54 0.01 1 861 . 150 GLY HA2 H 4.27 0.01 2 862 . 150 GLY HA3 H 3.50 0.01 2 863 . 150 GLY N N 108.1 0.1 1 864 . 150 GLY CA C 42.8 0.1 1 865 . 151 ASP H H 8.57 0.01 1 866 . 151 ASP HA H 4.68 0.01 1 867 . 151 ASP HB2 H 2.98 0.01 2 868 . 151 ASP HB3 H 2.57 0.01 2 869 . 151 ASP N N 121.4 0.1 1 870 . 151 ASP CA C 51.2 0.1 1 871 . 152 LEU H H 8.55 0.01 1 872 . 152 LEU HA H 4.41 0.01 1 873 . 152 LEU HB2 H 2.20 0.01 1 874 . 152 LEU HB3 H 2.20 0.01 1 875 . 152 LEU HG H 1.90 0.01 1 876 . 152 LEU HD1 H 0.97 0.01 1 877 . 152 LEU HD2 H 0.97 0.01 1 878 . 152 LEU N N 120.1 0.1 1 879 . 152 LEU CA C 53.2 0.1 1 880 . 153 GLY H H 8.58 0.01 1 881 . 153 GLY HA2 H 4.18 0.01 2 882 . 153 GLY HA3 H 3.71 0.01 2 883 . 153 GLY N N 107.8 0.1 1 884 . 153 GLY CA C 43.6 0.1 1 885 . 154 GLN H H 7.12 0.01 1 886 . 154 GLN HA H 4.66 0.01 1 887 . 154 GLN HB2 H 1.67 0.01 2 888 . 154 GLN HB3 H 1.92 0.01 2 889 . 154 GLN N N 115.2 0.1 1 890 . 156 PHE H H 8.18 0.01 1 891 . 156 PHE HA H 5.28 0.01 1 892 . 156 PHE HB2 H 2.86 0.01 2 893 . 156 PHE HB3 H 2.39 0.01 2 894 . 156 PHE HD1 H 6.88 0.01 1 895 . 156 PHE HD2 H 6.88 0.01 1 896 . 156 PHE N N 118.2 0.1 1 897 . 156 PHE CA C 54.0 0.1 1 898 . 157 GLN HA H 4.34 0.01 1 899 . 157 GLN HB2 H 1.95 0.01 1 900 . 157 GLN HB3 H 1.95 0.01 1 901 . 157 GLN HG2 H 2.43 0.01 1 902 . 157 GLN HG3 H 2.43 0.01 1 903 . 157 GLN N N 119.8 0.1 1 904 . 157 GLN CA C 51.8 0.1 1 905 . 158 PHE H H 8.23 0.01 1 906 . 158 PHE HA H 5.87 0.01 1 907 . 158 PHE HB2 H 3.05 0.01 2 908 . 158 PHE HB3 H 2.86 0.01 2 909 . 158 PHE HD1 H 7.29 0.01 1 910 . 158 PHE HD2 H 7.29 0.01 1 911 . 158 PHE N N 120.6 0.1 1 912 . 158 PHE CA C 51.5 0.1 1 913 . 159 LYS H H 9.37 0.01 1 914 . 159 LYS HA H 4.90 0.01 1 915 . 159 LYS HB2 H 1.94 0.01 2 916 . 159 LYS HB3 H 1.74 0.01 2 917 . 159 LYS N N 122.9 0.1 1 918 . 159 LYS CA C 51.3 0.1 1 919 . 160 ASN H H 8.86 0.01 1 920 . 160 ASN HA H 4.36 0.01 1 921 . 160 ASN HB2 H 2.96 0.01 2 922 . 160 ASN HB3 H 2.81 0.01 2 923 . 160 ASN N N 116.3 0.1 1 924 . 161 PHE H H 8.28 0.01 1 925 . 161 PHE HA H 5.09 0.01 1 926 . 161 PHE HB2 H 3.15 0.01 2 927 . 161 PHE HB3 H 2.96 0.01 2 928 . 161 PHE HD1 H 7.32 0.01 1 929 . 161 PHE HD2 H 7.32 0.01 1 930 . 161 PHE N N 119.8 0.1 1 931 . 161 PHE CA C 56.4 0.1 1 932 . 162 ARG H H 8.89 0.01 1 933 . 162 ARG HA H 4.70 0.01 1 934 . 162 ARG HB2 H 1.89 0.01 2 935 . 162 ARG HB3 H 1.74 0.01 2 936 . 162 ARG N N 128.2 0.1 1 937 . 162 ARG CA C 51.7 0.1 1 938 . 163 ASP H H 8.13 0.01 1 939 . 163 ASP HA H 4.78 0.01 1 940 . 163 ASP HB2 H 2.89 0.01 2 941 . 163 ASP HB3 H 2.80 0.01 2 942 . 163 ASP N N 122.1 0.1 1 stop_ save_