data_6925 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Toxin Kid ; _BMRB_accession_number 6925 _BMRB_flat_file_name bmr6925.str _Entry_type original _Submission_date 2006-04-13 _Accession_date 2006-04-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and Beta 1H, 13C, and 15N Chemical Shift Assignments for the Bacterial Toxin Kid' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kamphuis Monique B. . 2 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 370 "13C chemical shifts" 308 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-06 original author . stop_ _Original_release_date 2006-11-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Model for RNA binding and the catalytic site of the RNase Kid of the bacterial parD toxin-antitoxin system ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16413033 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kamphuis Monique B. . 2 Bonvin A. M. . 3 Monti M. C. . 4 Lemonnier M. . . 5 Munoz-Gomez A. . . 6 'van den Heuvel' R. H. . 7 Diaz-Orejas R. . . 8 Boelens Rolf . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 357 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 115 _Page_last 126 _Year 2006 _Details . loop_ _Keyword 'native macromolecular mass spectrometry' 'NMR spectroscopy' oligomerisation 'plasmid maintenance' 'protein-protein interactions' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Kid toxin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kid toxin' $Kid_toxin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Kid_toxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Kid toxin' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; MERGEIWLVSLDPTAGHEQQ GTRPVLIVTPAAFNRVTRLP VVVPVTSGGNFARTAGFAVS LDGVGIRTTGVVRCDQPRTI DMKARGGKRLERVPETIMNE VLGRLSTILT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ARG 4 GLY 5 GLU 6 ILE 7 TRP 8 LEU 9 VAL 10 SER 11 LEU 12 ASP 13 PRO 14 THR 15 ALA 16 GLY 17 HIS 18 GLU 19 GLN 20 GLN 21 GLY 22 THR 23 ARG 24 PRO 25 VAL 26 LEU 27 ILE 28 VAL 29 THR 30 PRO 31 ALA 32 ALA 33 PHE 34 ASN 35 ARG 36 VAL 37 THR 38 ARG 39 LEU 40 PRO 41 VAL 42 VAL 43 VAL 44 PRO 45 VAL 46 THR 47 SER 48 GLY 49 GLY 50 ASN 51 PHE 52 ALA 53 ARG 54 THR 55 ALA 56 GLY 57 PHE 58 ALA 59 VAL 60 SER 61 LEU 62 ASP 63 GLY 64 VAL 65 GLY 66 ILE 67 ARG 68 THR 69 THR 70 GLY 71 VAL 72 VAL 73 ARG 74 CYS 75 ASP 76 GLN 77 PRO 78 ARG 79 THR 80 ILE 81 ASP 82 MET 83 LYS 84 ALA 85 ARG 86 GLY 87 GLY 88 LYS 89 ARG 90 LEU 91 GLU 92 ARG 93 VAL 94 PRO 95 GLU 96 THR 97 ILE 98 MET 99 ASN 100 GLU 101 VAL 102 LEU 103 GLY 104 ARG 105 LEU 106 SER 107 THR 108 ILE 109 LEU 110 THR 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 1M1F "Kid Toxin Protein From E.Coli Plasmid R1" 100.00 110 100.00 100.00 8.22e-71 PDB 2C06 "Nmr-Based Model Of The Complex Of The Toxin Kid And A 5- Nucleotide Substrate Rna Fragment (Auaca)" 100.00 110 100.00 100.00 8.22e-71 DBJ BAA78898 "plasmid stable inheritance protein [Shigella flexneri 2b]" 100.00 133 100.00 100.00 7.19e-71 DBJ BAL45864 "plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 110 100.00 100.00 8.22e-71 DBJ BAL48674 "plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 110 100.00 100.00 8.22e-71 DBJ BAN28644 "Plasmid stable inheritance protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 110 100.00 100.00 8.22e-71 DBJ BAP10671 "putative programmed cell death toxin PemK [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 100.00 110 100.00 100.00 8.22e-71 EMBL CAA29585 "unnamed protein product [Plasmid R1]" 100.00 133 100.00 100.00 7.19e-71 EMBL CAB90820 "KID fusion protein [Cloning vector pKID18]" 100.00 134 99.09 100.00 2.00e-70 EMBL CAB90822 "KID fusion protein [Cloning vector pKID19]" 100.00 135 99.09 100.00 2.74e-70 EMBL CAD27776 "KID [Cloning vector pTarg1]" 99.09 111 100.00 100.00 6.66e-70 EMBL CAH64731 "toxin, growth inhibitor [uncultured bacterium]" 100.00 110 100.00 100.00 8.22e-71 GB AAA26070 "ORF3 [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 GB AAO49558 "PemK [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 GB AAR05736 "PemK [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 110 100.00 100.00 8.22e-71 GB AAR25128 "PemK [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 GB AAZ03778 "PemK [Klebsiella pneumoniae]" 78.18 97 98.84 98.84 7.08e-53 REF NP_052994 "plasmid stable inheritance protein [Shigella flexneri 2b]" 100.00 133 100.00 100.00 7.19e-71 REF NP_862963 "hypothetical protein p165897_051 [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 REF NP_957647 "hypothetical protein pC15-1a_102 [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 REF WP_000439432 "hypothetical protein [Escherichia sp. TW09231]" 100.00 110 97.27 98.18 2.55e-69 REF WP_000439433 "MULTISPECIES: hypothetical protein [Escherichia]" 100.00 110 99.09 99.09 4.04e-70 SP P13976 "RecName: Full=mRNA interferase PemK; AltName: Full=Endoribonuclease PemK; AltName: Full=Kid toxin protein [Escherichia coli]" 100.00 133 100.00 100.00 7.19e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid $Kid_toxin 'E. coli' 562 Bacteria . Escherichia coli ParD 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 $Kid_toxin 'recombinant technology' Bacteria Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 100 mM PO4 (K) pH 5.8 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Kid_toxin 0.4 mM '[U-13C; U-15N]' 'PO4 (K)' 100 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HA(CA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)NH' _Sample_label $sample_1 save_ save_3D_HBA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; 100 mM PO4 (K) pH 5.8 303 K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.01 pH temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Kid toxin' _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 1 MET HA H 4.007 0.005 1 2 1 1 MET HB2 H 1.964 0.005 2 3 1 1 MET HB3 H 1.568 0.005 2 4 1 1 MET C C 176.581 0.02 1 5 1 1 MET CA C 56.401 0.02 1 6 1 1 MET CB C 35.027 0.02 1 7 2 2 GLU H H 8.367 0.005 1 8 2 2 GLU HA H 4.579 0.005 1 9 2 2 GLU HB2 H 2.139 0.005 2 10 2 2 GLU HB3 H 1.777 0.005 2 11 2 2 GLU C C 174.055 0.02 1 12 2 2 GLU CA C 53.901 0.02 1 13 2 2 GLU CB C 32.702 0.02 1 14 2 2 GLU N N 126.148 0.02 1 15 3 3 ARG H H 8.581 0.005 1 16 3 3 ARG HA H 3.801 0.005 1 17 3 3 ARG HB2 H 1.724 0.005 2 18 3 3 ARG HB3 H 1.667 0.005 2 19 3 3 ARG C C 177.398 0.02 1 20 3 3 ARG CA C 57.425 0.02 1 21 3 3 ARG CB C 30.781 0.02 1 22 3 3 ARG N N 124.148 0.02 1 23 4 4 GLY H H 8.881 0.005 1 24 4 4 GLY HA2 H 4.654 0.005 2 25 4 4 GLY HA3 H 3.921 0.005 2 26 4 4 GLY C C 173.884 0.02 1 27 4 4 GLY CA C 45.364 0.02 1 28 4 4 GLY N N 115.530 0.02 1 29 5 5 GLU H H 7.807 0.005 1 30 5 5 GLU HA H 4.772 0.005 1 31 5 5 GLU HB2 H 2.138 0.005 2 32 5 5 GLU C C 175.752 0.02 1 33 5 5 GLU CA C 56.255 0.02 1 34 5 5 GLU CB C 31.992 0.02 1 35 5 5 GLU N N 116.901 0.02 1 36 6 6 ILE H H 9.259 0.005 1 37 6 6 ILE HA H 5.557 0.005 1 38 6 6 ILE HB H 1.670 0.005 1 39 6 6 ILE C C 176.112 0.02 1 40 6 6 ILE CA C 59.261 0.02 1 41 6 6 ILE CB C 38.540 0.02 1 42 6 6 ILE N N 121.772 0.02 1 43 7 7 TRP H H 9.569 0.005 1 44 7 7 TRP HA H 5.214 0.005 1 45 7 7 TRP HB2 H 3.027 0.005 2 46 7 7 TRP HB3 H 2.634 0.005 2 47 7 7 TRP C C 173.879 0.02 1 48 7 7 TRP CA C 55.727 0.02 1 49 7 7 TRP CB C 31.888 0.02 1 50 7 7 TRP N N 129.626 0.02 1 51 8 8 LEU H H 9.462 0.005 1 52 8 8 LEU HA H 4.725 0.005 1 53 8 8 LEU HB2 H 1.757 0.005 2 54 8 8 LEU HB3 H 1.363 0.005 2 55 8 8 LEU C C 176.312 0.02 1 56 8 8 LEU CA C 54.036 0.02 1 57 8 8 LEU CB C 44.213 0.02 1 58 8 8 LEU N N 123.567 0.02 1 59 9 9 VAL H H 8.648 0.005 1 60 9 9 VAL HA H 4.657 0.005 1 61 9 9 VAL HB H 2.014 0.005 1 62 9 9 VAL C C 171.151 0.02 1 63 9 9 VAL CA C 60.179 0.02 1 64 9 9 VAL CB C 35.622 0.02 1 65 9 9 VAL N N 127.035 0.02 1 66 10 10 SER H H 8.047 0.005 1 67 10 10 SER HA H 4.665 0.005 1 68 10 10 SER HB2 H 3.981 0.005 2 69 10 10 SER HB3 H 3.827 0.005 2 70 10 10 SER C C 176.165 0.02 1 71 10 10 SER CA C 58.244 0.02 1 72 10 10 SER CB C 63.678 0.02 1 73 10 10 SER N N 117.961 0.02 1 74 11 11 LEU H H 8.452 0.005 1 75 11 11 LEU HA H 4.176 0.005 1 76 11 11 LEU HB2 H 1.841 0.005 2 77 11 11 LEU HB3 H 1.460 0.005 2 78 11 11 LEU C C 176.575 0.02 1 79 11 11 LEU CA C 54.363 0.02 1 80 11 11 LEU CB C 41.945 0.02 1 81 11 11 LEU N N 127.939 0.02 1 82 12 12 ASP H H 7.230 0.005 1 83 12 12 ASP HA H 4.536 0.005 1 84 12 12 ASP HB2 H 2.666 0.005 2 85 12 12 ASP HB3 H 2.177 0.005 2 86 12 12 ASP CA C 54.573 0.02 1 87 12 12 ASP CB C 41.164 0.02 1 88 12 12 ASP N N 117.831 0.02 1 89 13 13 PRO HA H 4.813 0.005 1 90 13 13 PRO HB2 H 2.628 0.005 2 91 13 13 PRO HB3 H 2.003 0.005 2 92 13 13 PRO C C 176.752 0.02 1 93 13 13 PRO CA C 61.830 0.02 1 94 13 13 PRO CB C 34.950 0.02 1 95 14 14 THR H H 8.439 0.005 1 96 14 14 THR HA H 4.445 0.005 1 97 14 14 THR HB H 4.464 0.005 1 98 14 14 THR C C 172.118 0.02 1 99 14 14 THR CA C 60.693 0.02 1 100 14 14 THR CB C 71.540 0.02 1 101 14 14 THR N N 112.610 0.02 1 102 15 15 ALA H H 8.191 0.005 1 103 15 15 ALA HA H 4.729 0.005 1 104 15 15 ALA HB H 1.245 0.005 1 105 15 15 ALA C C 177.265 0.02 1 106 15 15 ALA CA C 50.410 0.02 1 107 15 15 ALA CB C 22.766 0.02 1 108 15 15 ALA N N 121.911 0.02 1 109 16 16 GLY H H 8.532 0.005 1 110 16 16 GLY HA2 H 3.777 0.005 2 111 16 16 GLY HA3 H 3.503 0.005 2 112 16 16 GLY C C 176.125 0.02 1 113 16 16 GLY CA C 46.701 0.02 1 114 16 16 GLY N N 105.884 0.02 1 115 17 17 HIS H H 10.304 0.005 1 116 17 17 HIS HA H 4.654 0.005 1 117 17 17 HIS HB2 H 3.582 0.005 2 118 17 17 HIS HB3 H 2.895 0.005 2 119 17 17 HIS C C 175.092 0.02 1 120 17 17 HIS CA C 55.911 0.02 1 121 17 17 HIS CB C 28.474 0.02 1 122 17 17 HIS N N 125.130 0.02 1 123 18 18 GLU H H 7.847 0.005 1 124 18 18 GLU HA H 3.827 0.005 1 125 18 18 GLU HB2 H 2.208 0.005 2 126 18 18 GLU HB3 H 1.984 0.005 2 127 18 18 GLU C C 177.135 0.02 1 128 18 18 GLU CA C 56.715 0.02 1 129 18 18 GLU CB C 30.097 0.02 1 130 18 18 GLU N N 121.129 0.02 1 131 19 19 GLN H H 8.547 0.005 1 132 19 19 GLN HA H 3.864 0.005 1 133 19 19 GLN HB2 H 1.937 0.005 2 134 19 19 GLN HB3 H 1.810 0.005 2 135 19 19 GLN C C 174.206 0.02 1 136 19 19 GLN CA C 57.065 0.02 1 137 19 19 GLN CB C 28.410 0.02 1 138 19 19 GLN N N 122.644 0.02 1 139 20 20 GLN H H 8.294 0.005 1 140 20 20 GLN HA H 4.766 0.005 1 141 20 20 GLN HB2 H 2.296 0.005 2 142 20 20 GLN HB3 H 2.145 0.005 2 143 20 20 GLN C C 176.972 0.02 1 144 20 20 GLN CA C 54.227 0.02 1 145 20 20 GLN CB C 32.240 0.02 1 146 20 20 GLN N N 123.548 0.02 1 147 21 21 GLY H H 9.311 0.005 1 148 21 21 GLY HA2 H 4.274 0.005 2 149 21 21 GLY HA3 H 4.028 0.005 2 150 21 21 GLY C C 173.935 0.02 1 151 21 21 GLY CA C 45.243 0.02 1 152 21 21 GLY N N 109.686 0.02 1 153 22 22 THR H H 8.335 0.005 1 154 22 22 THR HA H 4.976 0.005 1 155 22 22 THR HB H 4.047 0.005 1 156 22 22 THR C C 174.247 0.02 1 157 22 22 THR CA C 62.115 0.02 1 158 22 22 THR CB C 68.281 0.02 1 159 22 22 THR N N 116.067 0.02 1 160 23 23 ARG H H 8.554 0.005 1 161 23 23 ARG HA H 4.995 0.005 1 162 23 23 ARG HB2 H 2.034 0.005 2 163 23 23 ARG HB3 H 1.744 0.005 2 164 23 23 ARG CA C 52.469 0.02 1 165 23 23 ARG CB C 30.205 0.02 1 166 23 23 ARG N N 125.649 0.02 1 167 24 24 PRO HA H 5.219 0.005 1 168 24 24 PRO HB2 H 2.094 0.005 2 169 24 24 PRO HB3 H 1.539 0.005 2 170 24 24 PRO C C 175.813 0.02 1 171 24 24 PRO CA C 61.430 0.02 1 172 24 24 PRO CB C 31.268 0.02 1 173 25 25 VAL H H 9.561 0.005 1 174 25 25 VAL HA H 5.017 0.005 1 175 25 25 VAL HB H 1.816 0.005 1 176 25 25 VAL C C 172.439 0.02 1 177 25 25 VAL CA C 57.967 0.02 1 178 25 25 VAL CB C 35.302 0.02 1 179 25 25 VAL N N 114.520 0.02 1 180 26 26 LEU H H 9.278 0.005 1 181 26 26 LEU HA H 5.272 0.005 1 182 26 26 LEU HB2 H 1.915 0.005 2 183 26 26 LEU HB3 H 0.913 0.005 2 184 26 26 LEU C C 176.432 0.02 1 185 26 26 LEU CA C 52.604 0.02 1 186 26 26 LEU CB C 45.738 0.02 1 187 26 26 LEU N N 124.157 0.02 1 188 27 27 ILE H H 9.046 0.005 1 189 27 27 ILE HA H 4.012 0.005 1 190 27 27 ILE HB H 2.399 0.005 1 191 27 27 ILE C C 176.479 0.02 1 192 27 27 ILE CA C 62.653 0.02 1 193 27 27 ILE CB C 36.797 0.02 1 194 27 27 ILE N N 125.382 0.02 1 195 28 28 VAL H H 9.030 0.005 1 196 28 28 VAL HA H 4.286 0.005 1 197 28 28 VAL HB H 1.936 0.005 1 198 28 28 VAL C C 175.870 0.02 1 199 28 28 VAL CA C 62.816 0.02 1 200 28 28 VAL CB C 32.669 0.02 1 201 28 28 VAL N N 122.746 0.02 1 202 29 29 THR H H 7.591 0.005 1 203 29 29 THR HA H 4.579 0.005 1 204 29 29 THR HB H 4.096 0.005 1 205 29 29 THR CA C 58.414 0.02 1 206 29 29 THR CB C 68.000 0.02 1 207 29 29 THR N N 111.843 0.02 1 208 30 30 PRO HA H 4.715 0.005 1 209 30 30 PRO HB2 H 2.355 0.005 1 210 30 30 PRO HB3 H 2.355 0.005 1 211 30 30 PRO C C 177.915 0.02 1 212 30 30 PRO CA C 62.020 0.02 1 213 30 30 PRO CB C 33.109 0.02 1 214 31 31 ALA H H 9.407 0.005 1 215 31 31 ALA HA H 4.323 0.005 1 216 31 31 ALA HB H 1.548 0.005 1 217 31 31 ALA C C 179.168 0.02 1 218 31 31 ALA CA C 56.183 0.02 1 219 31 31 ALA CB C 19.161 0.02 1 220 31 31 ALA N N 125.151 0.02 1 221 32 32 ALA H H 8.967 0.005 1 222 32 32 ALA HA H 4.067 0.005 1 223 32 32 ALA HB H 1.901 0.005 1 224 32 32 ALA C C 177.134 0.02 1 225 32 32 ALA CA C 55.577 0.02 1 226 32 32 ALA CB C 18.343 0.02 1 227 32 32 ALA N N 117.806 0.02 1 228 33 33 PHE H H 7.145 0.005 1 229 33 33 PHE HA H 4.361 0.005 1 230 33 33 PHE HB2 H 3.225 0.005 1 231 33 33 PHE HB3 H 3.225 0.005 1 232 33 33 PHE C C 176.884 0.02 1 233 33 33 PHE CA C 60.401 0.02 1 234 33 33 PHE CB C 39.714 0.02 1 235 33 33 PHE N N 117.319 0.02 1 236 34 34 ASN H H 8.435 0.005 1 237 34 34 ASN HA H 4.037 0.005 1 238 34 34 ASN HB2 H 2.872 0.005 2 239 34 34 ASN HB3 H 2.577 0.005 2 240 34 34 ASN C C 178.069 0.02 1 241 34 34 ASN CA C 55.967 0.02 1 242 34 34 ASN CB C 38.040 0.02 1 243 34 34 ASN N N 119.323 0.02 1 244 35 35 ARG H H 8.824 0.005 1 245 35 35 ARG HA H 4.067 0.005 1 246 35 35 ARG HB2 H 1.901 0.005 2 247 35 35 ARG HB3 H 1.508 0.005 2 248 35 35 ARG C C 174.712 0.02 1 249 35 35 ARG CA C 58.535 0.02 1 250 35 35 ARG CB C 29.274 0.02 1 251 35 35 ARG N N 118.044 0.02 1 252 36 36 VAL H H 7.137 0.005 1 253 36 36 VAL HA H 3.874 0.005 1 254 36 36 VAL HB H 2.066 0.005 1 255 36 36 VAL C C 177.472 0.02 1 256 36 36 VAL CA C 64.978 0.02 1 257 36 36 VAL CB C 32.496 0.02 1 258 36 36 VAL N N 117.495 0.02 1 259 37 37 THR H H 7.948 0.005 1 260 37 37 THR HA H 3.893 0.005 1 261 37 37 THR HB H 4.085 0.005 1 262 37 37 THR C C 175.613 0.02 1 263 37 37 THR CA C 62.759 0.02 1 264 37 37 THR CB C 69.542 0.02 1 265 37 37 THR N N 108.403 0.02 1 266 38 38 ARG H H 7.639 0.005 1 267 38 38 ARG HA H 3.838 0.005 1 268 38 38 ARG HB2 H 1.453 0.005 1 269 38 38 ARG HB3 H 1.453 0.005 1 270 38 38 ARG C C 174.469 0.02 1 271 38 38 ARG CA C 57.592 0.02 1 272 38 38 ARG CB C 27.293 0.02 1 273 38 38 ARG N N 114.309 0.02 1 274 39 39 LEU H H 7.832 0.005 1 275 39 39 LEU HA H 5.225 0.005 1 276 39 39 LEU HB2 H 1.260 0.005 2 277 39 39 LEU HB3 H 1.212 0.005 2 278 39 39 LEU CA C 52.373 0.02 1 279 39 39 LEU CB C 44.118 0.02 1 280 39 39 LEU N N 121.653 0.02 1 281 40 40 PRO HA H 4.476 0.005 1 282 40 40 PRO HB2 H 1.670 0.005 2 283 40 40 PRO HB3 H 1.526 0.005 2 284 40 40 PRO C C 175.035 0.02 1 285 40 40 PRO CA C 61.912 0.02 1 286 40 40 PRO CB C 32.891 0.02 1 287 41 41 VAL H H 7.563 0.005 1 288 41 41 VAL HA H 4.396 0.005 1 289 41 41 VAL HB H 1.724 0.005 1 290 41 41 VAL C C 175.662 0.02 1 291 41 41 VAL CA C 61.991 0.02 1 292 41 41 VAL CB C 31.620 0.02 1 293 41 41 VAL N N 117.307 0.02 1 294 42 42 VAL H H 8.811 0.005 1 295 42 42 VAL HA H 5.759 0.005 1 296 42 42 VAL HB H 1.898 0.005 1 297 42 42 VAL C C 174.859 0.02 1 298 42 42 VAL CA C 57.327 0.02 1 299 42 42 VAL CB C 34.688 0.02 1 300 42 42 VAL N N 119.855 0.02 1 301 43 43 VAL H H 8.423 0.005 1 302 43 43 VAL HA H 5.014 0.005 1 303 43 43 VAL HB H 2.160 0.005 1 304 43 43 VAL CA C 56.553 0.02 1 305 43 43 VAL CB C 32.103 0.02 1 306 43 43 VAL N N 110.883 0.02 1 307 44 44 PRO HA H 4.825 0.005 1 308 44 44 PRO HB2 H 1.925 0.005 2 309 44 44 PRO HB3 H 1.653 0.005 2 310 44 44 PRO C C 173.653 0.02 1 311 44 44 PRO CA C 62.775 0.02 1 312 44 44 PRO CB C 32.966 0.02 1 313 45 45 VAL H H 8.287 0.005 1 314 45 45 VAL HA H 4.996 0.005 1 315 45 45 VAL HB H 1.918 0.005 1 316 45 45 VAL C C 176.733 0.02 1 317 45 45 VAL CA C 60.722 0.02 1 318 45 45 VAL CB C 32.274 0.02 1 319 45 45 VAL N N 120.195 0.02 1 320 46 46 THR H H 9.161 0.005 1 321 46 46 THR HA H 4.728 0.005 1 322 46 46 THR HB H 4.408 0.005 1 323 46 46 THR C C 173.355 0.02 1 324 46 46 THR CA C 59.601 0.02 1 325 46 46 THR CB C 71.234 0.02 1 326 46 46 THR N N 118.898 0.02 1 327 47 47 SER H H 8.873 0.005 1 328 47 47 SER HA H 4.593 0.005 1 329 47 47 SER HB2 H 3.957 0.005 1 330 47 47 SER HB3 H 3.957 0.005 1 331 47 47 SER C C 175.550 0.02 1 332 47 47 SER CA C 59.009 0.02 1 333 47 47 SER CB C 63.823 0.02 1 334 47 47 SER N N 116.310 0.02 1 335 48 48 GLY H H 8.516 0.005 1 336 48 48 GLY HA2 H 3.993 0.005 1 337 48 48 GLY HA3 H 3.993 0.005 1 338 48 48 GLY C C 173.955 0.02 1 339 48 48 GLY CA C 45.350 0.02 1 340 48 48 GLY N N 110.208 0.02 1 341 49 49 GLY H H 8.222 0.005 1 342 49 49 GLY HA2 H 3.880 0.005 1 343 49 49 GLY HA3 H 3.880 0.005 1 344 49 49 GLY CA C 45.291 0.02 1 345 49 49 GLY N N 108.567 0.02 1 346 50 50 ASN H H 8.337 0.005 1 347 50 50 ASN HA H 4.571 0.005 1 348 50 50 ASN HB2 H 2.725 0.005 2 349 50 50 ASN HB3 H 2.645 0.005 2 350 50 50 ASN C C 175.261 0.02 1 351 50 50 ASN CA C 53.658 0.02 1 352 50 50 ASN CB C 38.489 0.02 1 353 50 50 ASN N N 118.765 0.02 1 354 51 51 PHE H H 8.154 0.005 1 355 51 51 PHE HA H 4.567 0.005 1 356 51 51 PHE HB2 H 3.082 0.005 2 357 51 51 PHE HB3 H 3.000 0.005 2 358 51 51 PHE C C 175.768 0.02 1 359 51 51 PHE CA C 57.802 0.02 1 360 51 51 PHE CB C 38.855 0.02 1 361 51 51 PHE N N 120.667 0.02 1 362 52 52 ALA H H 8.084 0.005 1 363 52 52 ALA HA H 4.106 0.005 1 364 52 52 ALA HB H 1.358 0.005 1 365 52 52 ALA C C 178.726 0.02 1 366 52 52 ALA CA C 53.916 0.02 1 367 52 52 ALA CB C 18.863 0.02 1 368 52 52 ALA N N 124.005 0.02 1 369 53 53 ARG H H 8.203 0.005 1 370 53 53 ARG HA H 4.215 0.005 1 371 53 53 ARG HB2 H 1.860 0.005 2 372 53 53 ARG HB3 H 1.795 0.005 2 373 53 53 ARG C C 177.077 0.02 1 374 53 53 ARG CA C 57.613 0.02 1 375 53 53 ARG CB C 30.535 0.02 1 376 53 53 ARG N N 117.080 0.02 1 377 54 54 THR H H 7.714 0.005 1 378 54 54 THR HA H 4.355 0.005 1 379 54 54 THR HB H 4.358 0.005 1 380 54 54 THR C C 175.154 0.02 1 381 54 54 THR CA C 61.627 0.02 1 382 54 54 THR CB C 68.893 0.02 1 383 54 54 THR N N 110.108 0.02 1 384 55 55 ALA H H 7.910 0.005 1 385 55 55 ALA HA H 4.148 0.005 1 386 55 55 ALA HB H 1.356 0.005 1 387 55 55 ALA C C 178.392 0.02 1 388 55 55 ALA CA C 54.064 0.02 1 389 55 55 ALA CB C 18.986 0.02 1 390 55 55 ALA N N 126.068 0.02 1 391 56 56 GLY H H 8.345 0.005 1 392 56 56 GLY HA2 H 3.751 0.005 1 393 56 56 GLY HA3 H 3.751 0.005 1 394 56 56 GLY C C 174.944 0.02 1 395 56 56 GLY CA C 45.908 0.02 1 396 56 56 GLY N N 105.816 0.02 1 397 57 57 PHE H H 8.100 0.005 1 398 57 57 PHE HA H 4.498 0.005 1 399 57 57 PHE HB2 H 3.494 0.005 2 400 57 57 PHE HB3 H 2.754 0.005 2 401 57 57 PHE C C 173.047 0.02 1 402 57 57 PHE CA C 57.861 0.02 1 403 57 57 PHE CB C 40.440 0.02 1 404 57 57 PHE N N 117.799 0.02 1 405 58 58 ALA H H 7.628 0.005 1 406 58 58 ALA HA H 5.331 0.005 1 407 58 58 ALA HB H 1.231 0.005 1 408 58 58 ALA C C 177.155 0.02 1 409 58 58 ALA CA C 50.914 0.02 1 410 58 58 ALA CB C 20.701 0.02 1 411 58 58 ALA N N 122.714 0.02 1 412 59 59 VAL H H 8.301 0.005 1 413 59 59 VAL HA H 4.283 0.005 1 414 59 59 VAL HB H 1.688 0.005 1 415 59 59 VAL C C 175.300 0.02 1 416 59 59 VAL CA C 61.250 0.02 1 417 59 59 VAL CB C 34.877 0.02 1 418 59 59 VAL N N 122.388 0.02 1 419 60 60 SER H H 8.945 0.005 1 420 60 60 SER HA H 4.451 0.005 1 421 60 60 SER HB2 H 3.889 0.005 2 422 60 60 SER HB3 H 3.834 0.005 2 423 60 60 SER C C 175.100 0.02 1 424 60 60 SER CA C 59.193 0.02 1 425 60 60 SER CB C 63.612 0.02 1 426 60 60 SER N N 122.294 0.02 1 427 61 61 LEU H H 8.567 0.005 1 428 61 61 LEU HA H 4.478 0.005 1 429 61 61 LEU HB2 H 1.582 0.005 2 430 61 61 LEU C C 177.132 0.02 1 431 61 61 LEU CA C 54.008 0.02 1 432 61 61 LEU CB C 41.463 0.02 1 433 61 61 LEU N N 123.789 0.02 1 434 62 62 ASP H H 8.134 0.005 1 435 62 62 ASP HA H 4.451 0.005 1 436 62 62 ASP HB2 H 2.598 0.005 2 437 62 62 ASP HB3 H 2.528 0.005 2 438 62 62 ASP C C 177.659 0.02 1 439 62 62 ASP CA C 56.275 0.02 1 440 62 62 ASP CB C 40.569 0.02 1 441 62 62 ASP N N 121.806 0.02 1 442 63 63 GLY H H 8.749 0.005 1 443 63 63 GLY HA2 H 4.060 0.005 2 444 63 63 GLY HA3 H 3.907 0.005 2 445 63 63 GLY C C 175.496 0.02 1 446 63 63 GLY CA C 46.162 0.02 1 447 63 63 GLY N N 110.868 0.02 1 448 64 64 VAL H H 7.534 0.005 1 449 64 64 VAL HA H 4.266 0.005 1 450 64 64 VAL HB H 2.346 0.005 1 451 64 64 VAL C C 176.457 0.02 1 452 64 64 VAL CA C 62.160 0.02 1 453 64 64 VAL CB C 31.816 0.02 1 454 64 64 VAL N N 114.586 0.02 1 455 65 65 GLY H H 8.562 0.005 1 456 65 65 GLY HA2 H 4.101 0.005 2 457 65 65 GLY HA3 H 3.820 0.005 2 458 65 65 GLY C C 174.975 0.02 1 459 65 65 GLY CA C 46.161 0.02 1 460 65 65 GLY N N 109.885 0.02 1 461 66 66 ILE H H 7.338 0.005 1 462 66 66 ILE HA H 4.681 0.005 1 463 66 66 ILE HB H 2.388 0.005 1 464 66 66 ILE C C 175.173 0.02 1 465 66 66 ILE CA C 60.023 0.02 1 466 66 66 ILE CB C 38.446 0.02 1 467 66 66 ILE N N 113.835 0.02 1 468 67 67 ARG H H 10.441 0.005 1 469 67 67 ARG HA H 4.091 0.005 1 470 67 67 ARG HB2 H 1.826 0.005 2 471 67 67 ARG C C 178.755 0.02 1 472 67 67 ARG CA C 58.560 0.02 1 473 67 67 ARG CB C 30.374 0.02 1 474 67 67 ARG N N 123.821 0.02 1 475 68 68 THR H H 9.521 0.005 1 476 68 68 THR HA H 3.860 0.005 1 477 68 68 THR HB H 3.744 0.005 1 478 68 68 THR C C 172.437 0.02 1 479 68 68 THR CA C 65.148 0.02 1 480 68 68 THR CB C 68.510 0.02 1 481 68 68 THR N N 121.316 0.02 1 482 69 69 THR H H 7.435 0.005 1 483 69 69 THR HA H 4.466 0.005 1 484 69 69 THR HB H 4.343 0.005 1 485 69 69 THR C C 172.890 0.02 1 486 69 69 THR CA C 59.299 0.02 1 487 69 69 THR CB C 71.180 0.02 1 488 69 69 THR N N 114.943 0.02 1 489 70 70 GLY H H 8.270 0.005 1 490 70 70 GLY HA2 H 4.666 0.005 2 491 70 70 GLY HA3 H 3.698 0.005 2 492 70 70 GLY C C 173.069 0.02 1 493 70 70 GLY CA C 43.647 0.02 1 494 70 70 GLY N N 106.714 0.02 1 495 71 71 VAL H H 8.969 0.005 1 496 71 71 VAL HA H 4.899 0.005 1 497 71 71 VAL HB H 1.689 0.005 1 498 71 71 VAL C C 174.192 0.02 1 499 71 71 VAL CA C 58.645 0.02 1 500 71 71 VAL CB C 35.156 0.02 1 501 71 71 VAL N N 115.500 0.02 1 502 72 72 VAL H H 9.380 0.005 1 503 72 72 VAL HA H 4.072 0.005 1 504 72 72 VAL HB H 2.021 0.005 1 505 72 72 VAL C C 176.576 0.02 1 506 72 72 VAL CA C 62.175 0.02 1 507 72 72 VAL CB C 32.323 0.02 1 508 72 72 VAL N N 123.101 0.02 1 509 73 73 ARG H H 8.888 0.005 1 510 73 73 ARG HA H 4.630 0.005 1 511 73 73 ARG C C 175.832 0.02 1 512 73 73 ARG CA C 53.166 0.02 1 513 73 73 ARG CB C 26.902 0.02 1 514 73 73 ARG N N 127.173 0.02 1 515 74 74 CYS H H 8.284 0.005 1 516 74 74 CYS HA H 3.998 0.005 1 517 74 74 CYS HB2 H 3.395 0.005 2 518 74 74 CYS HB3 H 2.876 0.005 2 519 74 74 CYS C C 170.651 0.02 1 520 74 74 CYS CA C 62.085 0.02 1 521 74 74 CYS CB C 27.538 0.02 1 522 74 74 CYS N N 122.030 0.02 1 523 75 75 ASP H H 9.823 0.005 1 524 75 75 ASP HA H 4.122 0.005 1 525 75 75 ASP HB2 H 2.709 0.005 2 526 75 75 ASP HB3 H 2.172 0.005 2 527 75 75 ASP C C 175.311 0.02 1 528 75 75 ASP CA C 52.981 0.02 1 529 75 75 ASP CB C 39.080 0.02 1 530 75 75 ASP N N 106.625 0.02 1 531 76 76 GLN H H 6.986 0.005 1 532 76 76 GLN HA H 5.388 0.005 1 533 76 76 GLN HB2 H 2.326 0.005 2 534 76 76 GLN HB3 H 1.490 0.005 2 535 76 76 GLN CA C 53.946 0.02 1 536 76 76 GLN CB C 28.700 0.02 1 537 76 76 GLN N N 115.187 0.02 1 538 77 77 PRO HA H 5.285 0.005 1 539 77 77 PRO HB2 H 1.621 0.005 2 540 77 77 PRO HB3 H 1.325 0.005 2 541 77 77 PRO C C 178.679 0.02 1 542 77 77 PRO CA C 62.599 0.02 1 543 77 77 PRO CB C 31.532 0.02 1 544 78 78 ARG H H 9.366 0.005 1 545 78 78 ARG HA H 4.689 0.005 1 546 78 78 ARG HB2 H 1.928 0.005 2 547 78 78 ARG HB3 H 1.773 0.005 2 548 78 78 ARG C C 173.674 0.02 1 549 78 78 ARG CA C 57.140 0.02 1 550 78 78 ARG CB C 34.319 0.02 1 551 78 78 ARG N N 117.832 0.02 1 552 79 79 THR H H 6.951 0.005 1 553 79 79 THR HA H 4.990 0.005 1 554 79 79 THR HB H 3.654 0.005 1 555 79 79 THR C C 175.404 0.02 1 556 79 79 THR CA C 63.583 0.02 1 557 79 79 THR CB C 68.886 0.02 1 558 79 79 THR N N 123.423 0.02 1 559 80 80 ILE H H 8.332 0.005 1 560 80 80 ILE HA H 4.949 0.005 1 561 80 80 ILE HB H 1.454 0.005 1 562 80 80 ILE C C 172.616 0.02 1 563 80 80 ILE CA C 57.994 0.02 1 564 80 80 ILE CB C 43.807 0.02 1 565 80 80 ILE N N 121.611 0.02 1 566 81 81 ASP H H 10.519 0.005 1 567 81 81 ASP HA H 4.774 0.005 1 568 81 81 ASP HB2 H 2.288 0.005 2 569 81 81 ASP HB3 H 3.060 0.005 2 570 81 81 ASP C C 175.443 0.02 1 571 81 81 ASP CA C 52.608 0.02 1 572 81 81 ASP CB C 40.990 0.02 1 573 81 81 ASP N N 122.386 0.02 1 574 82 82 MET H H 6.829 0.005 1 575 82 82 MET CA C 57.660 0.02 1 576 82 82 MET CB C 33.663 0.02 1 577 82 82 MET N N 124.725 0.02 1 578 83 83 LYS H H 8.353 0.005 1 579 83 83 LYS HA H 4.308 0.005 1 580 83 83 LYS HB2 H 1.915 0.005 1 581 83 83 LYS HB3 H 1.915 0.005 1 582 83 83 LYS C C 180.598 0.02 1 583 83 83 LYS CA C 58.566 0.02 1 584 83 83 LYS CB C 32.025 0.02 1 585 83 83 LYS N N 118.600 0.02 1 586 84 84 ALA H H 8.237 0.005 1 587 84 84 ALA HA H 4.088 0.005 1 588 84 84 ALA HB H 1.314 0.005 1 589 84 84 ALA C C 179.655 0.02 1 590 84 84 ALA CA C 54.463 0.02 1 591 84 84 ALA CB C 18.187 0.02 1 592 84 84 ALA N N 123.329 0.02 1 593 85 85 ARG H H 7.407 0.005 1 594 85 85 ARG HA H 4.244 0.005 1 595 85 85 ARG HB2 H 2.165 0.005 2 596 85 85 ARG HB3 H 1.285 0.005 2 597 85 85 ARG C C 176.683 0.02 1 598 85 85 ARG CA C 56.400 0.02 1 599 85 85 ARG CB C 31.720 0.02 1 600 85 85 ARG N N 113.007 0.02 1 601 86 86 GLY H H 7.864 0.005 1 602 86 86 GLY HA2 H 4.029 0.005 1 603 86 86 GLY HA3 H 4.029 0.005 1 604 86 86 GLY C C 175.891 0.02 1 605 86 86 GLY CA C 46.588 0.02 1 606 86 86 GLY N N 109.557 0.02 1 607 87 87 GLY H H 8.317 0.005 1 608 87 87 GLY HA2 H 4.701 0.005 2 609 87 87 GLY HA3 H 3.696 0.005 2 610 87 87 GLY C C 173.063 0.02 1 611 87 87 GLY CA C 46.384 0.02 1 612 87 87 GLY N N 105.368 0.02 1 613 88 88 LYS H H 8.467 0.005 1 614 88 88 LYS HA H 4.635 0.005 1 615 88 88 LYS HB2 H 1.699 0.005 2 616 88 88 LYS HB3 H 1.630 0.005 2 617 88 88 LYS C C 174.101 0.02 1 618 88 88 LYS CA C 54.429 0.02 1 619 88 88 LYS CB C 36.178 0.02 1 620 88 88 LYS N N 120.947 0.02 1 621 89 89 ARG H H 7.821 0.005 1 622 89 89 ARG HA H 4.602 0.005 1 623 89 89 ARG HB2 H 2.406 0.005 2 624 89 89 ARG C C 175.795 0.02 1 625 89 89 ARG CA C 57.281 0.02 1 626 89 89 ARG CB C 29.925 0.02 1 627 89 89 ARG N N 127.825 0.02 1 628 90 90 LEU H H 9.315 0.005 1 629 90 90 LEU HA H 4.532 0.005 1 630 90 90 LEU HB2 H 1.509 0.005 2 631 90 90 LEU HB3 H 1.353 0.005 2 632 90 90 LEU C C 176.258 0.02 1 633 90 90 LEU CA C 56.158 0.02 1 634 90 90 LEU CB C 44.771 0.02 1 635 90 90 LEU N N 126.281 0.02 1 636 91 91 GLU H H 7.614 0.005 1 637 91 91 GLU HA H 4.653 0.005 1 638 91 91 GLU HB2 H 2.440 0.005 2 639 91 91 GLU HB3 H 2.094 0.005 2 640 91 91 GLU C C 172.812 0.02 1 641 91 91 GLU CA C 55.331 0.02 1 642 91 91 GLU CB C 28.842 0.02 1 643 91 91 GLU N N 111.816 0.02 1 644 92 92 ARG H H 8.321 0.005 1 645 92 92 ARG HA H 5.281 0.005 1 646 92 92 ARG HB2 H 1.808 0.005 2 647 92 92 ARG HB3 H 1.663 0.005 2 648 92 92 ARG C C 175.619 0.02 1 649 92 92 ARG CA C 55.083 0.02 1 650 92 92 ARG CB C 33.582 0.02 1 651 92 92 ARG N N 118.035 0.02 1 652 93 93 VAL H H 8.494 0.005 1 653 93 93 VAL HA H 4.656 0.005 1 654 93 93 VAL HB H 2.091 0.005 1 655 93 93 VAL CA C 58.674 0.02 1 656 93 93 VAL CB C 31.339 0.02 1 657 93 93 VAL N N 114.767 0.02 1 658 94 94 PRO HA H 4.635 0.005 1 659 94 94 PRO HB2 H 2.598 0.005 2 660 94 94 PRO HB3 H 1.993 0.005 2 661 94 94 PRO C C 177.476 0.02 1 662 94 94 PRO CA C 62.318 0.02 1 663 94 94 PRO CB C 32.691 0.02 1 664 95 95 GLU H H 9.000 0.005 1 665 95 95 GLU HA H 3.932 0.005 1 666 95 95 GLU HB2 H 2.092 0.005 2 667 95 95 GLU HB3 H 2.048 0.005 2 668 95 95 GLU C C 177.817 0.02 1 669 95 95 GLU CA C 59.891 0.02 1 670 95 95 GLU CB C 29.534 0.02 1 671 95 95 GLU N N 123.683 0.02 1 672 96 96 THR H H 7.968 0.005 1 673 96 96 THR HA H 4.038 0.005 1 674 96 96 THR HB H 4.179 0.005 1 675 96 96 THR C C 177.606 0.02 1 676 96 96 THR CA C 64.922 0.02 1 677 96 96 THR CB C 67.894 0.02 1 678 96 96 THR N N 108.695 0.02 1 679 97 97 ILE H H 6.840 0.005 1 680 97 97 ILE HA H 3.976 0.005 1 681 97 97 ILE HB H 2.127 0.005 1 682 97 97 ILE C C 177.760 0.02 1 683 97 97 ILE CA C 60.927 0.02 1 684 97 97 ILE CB C 35.931 0.02 1 685 97 97 ILE N N 120.801 0.02 1 686 98 98 MET H H 7.504 0.005 1 687 98 98 MET HA H 4.453 0.005 1 688 98 98 MET HB2 H 2.264 0.005 2 689 98 98 MET HB3 H 1.720 0.005 2 690 98 98 MET C C 178.246 0.02 1 691 98 98 MET CA C 56.723 0.02 1 692 98 98 MET CB C 32.254 0.02 1 693 98 98 MET N N 119.777 0.02 1 694 99 99 ASN H H 8.709 0.005 1 695 99 99 ASN HA H 4.464 0.005 1 696 99 99 ASN HB2 H 2.878 0.005 2 697 99 99 ASN HB3 H 2.823 0.005 2 698 99 99 ASN C C 178.851 0.02 1 699 99 99 ASN CA C 56.157 0.02 1 700 99 99 ASN CB C 37.655 0.02 1 701 99 99 ASN N N 116.857 0.02 1 702 100 100 GLU H H 7.533 0.005 1 703 100 100 GLU HA H 4.166 0.005 1 704 100 100 GLU HB2 H 2.302 0.005 2 705 100 100 GLU HB3 H 2.145 0.005 2 706 100 100 GLU C C 179.106 0.02 1 707 100 100 GLU CA C 59.449 0.02 1 708 100 100 GLU CB C 29.730 0.02 1 709 100 100 GLU N N 121.833 0.02 1 710 101 101 VAL H H 8.211 0.005 1 711 101 101 VAL HA H 3.897 0.005 1 712 101 101 VAL HB H 2.428 0.005 1 713 101 101 VAL C C 177.849 0.02 1 714 101 101 VAL CA C 66.025 0.02 1 715 101 101 VAL CB C 31.989 0.02 1 716 101 101 VAL N N 121.198 0.02 1 717 102 102 LEU H H 8.598 0.005 1 718 102 102 LEU HA H 4.049 0.005 1 719 102 102 LEU HB2 H 1.910 0.005 2 720 102 102 LEU HB3 H 1.593 0.005 2 721 102 102 LEU C C 180.090 0.02 1 722 102 102 LEU CA C 58.189 0.02 1 723 102 102 LEU CB C 40.565 0.02 1 724 102 102 LEU N N 118.431 0.02 1 725 103 103 GLY H H 8.093 0.005 1 726 103 103 GLY HA2 H 4.013 0.005 2 727 103 103 GLY HA3 H 3.860 0.005 2 728 103 103 GLY C C 177.143 0.02 1 729 103 103 GLY CA C 47.131 0.02 1 730 103 103 GLY N N 106.959 0.02 1 731 104 104 ARG H H 8.003 0.005 1 732 104 104 ARG HA H 4.192 0.005 1 733 104 104 ARG HB2 H 2.261 0.005 2 734 104 104 ARG HB3 H 1.816 0.005 2 735 104 104 ARG C C 180.060 0.02 1 736 104 104 ARG CA C 58.141 0.02 1 737 104 104 ARG CB C 29.796 0.02 1 738 104 104 ARG N N 121.133 0.02 1 739 105 105 LEU H H 8.416 0.005 1 740 105 105 LEU HA H 4.036 0.005 1 741 105 105 LEU HB2 H 2.014 0.005 2 742 105 105 LEU HB3 H 1.383 0.005 2 743 105 105 LEU C C 178.798 0.02 1 744 105 105 LEU CA C 58.023 0.02 1 745 105 105 LEU CB C 42.249 0.02 1 746 105 105 LEU N N 120.113 0.02 1 747 106 106 SER H H 8.360 0.005 1 748 106 106 SER HA H 4.023 0.005 1 749 106 106 SER C C 176.660 0.02 1 750 106 106 SER CA C 61.952 0.02 1 751 106 106 SER CB C 62.726 0.02 1 752 106 106 SER N N 113.236 0.02 1 753 107 107 THR H H 7.438 0.005 1 754 107 107 THR HA H 4.395 0.005 1 755 107 107 THR HB H 4.179 0.005 1 756 107 107 THR C C 176.317 0.02 1 757 107 107 THR CA C 65.306 0.02 1 758 107 107 THR CB C 69.309 0.02 1 759 107 107 THR N N 112.704 0.02 1 760 108 108 ILE H H 7.325 0.005 1 761 108 108 ILE HA H 4.141 0.005 1 762 108 108 ILE HB H 1.585 0.005 1 763 108 108 ILE C C 174.733 0.02 1 764 108 108 ILE CA C 63.143 0.02 1 765 108 108 ILE CB C 38.755 0.02 1 766 108 108 ILE N N 115.392 0.02 1 767 109 109 LEU H H 7.205 0.005 1 768 109 109 LEU HA H 4.239 0.005 1 769 109 109 LEU HB2 H 1.596 0.005 2 770 109 109 LEU HB3 H 1.512 0.005 2 771 109 109 LEU C C 174.434 0.02 1 772 109 109 LEU CA C 54.090 0.02 1 773 109 109 LEU CB C 42.701 0.02 1 774 109 109 LEU N N 116.137 0.02 1 775 110 110 THR H H 6.932 0.005 1 776 110 110 THR HA H 4.244 0.005 1 777 110 110 THR HB H 4.241 0.005 1 778 110 110 THR CA C 63.117 0.02 1 779 110 110 THR CB C 71.366 0.02 1 780 110 110 THR N N 112.257 0.02 1 stop_ save_