data_27097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of Mvo10b ; _BMRB_accession_number 27097 _BMRB_flat_file_name bmr27097.str _Entry_type original _Submission_date 2017-05-06 _Accession_date 2017-05-06 _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 Xuan Jinsong . . 2 Yao Hongwei . . 3 Feng Yingang . . 4 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 563 "13C chemical shifts" 426 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-01 update BMRB 'update entry citation' 2017-09-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27098 'assignments of Mth10bTQQA' stop_ _Original_release_date 2017-05-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain (1)H, (15)N and (13)C resonance assignments of two Sac10b family members Mvo10b and Mth10bTQQA from archaea ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28812261 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xuan Jinsong . . 2 Yao Hongwei . . 3 Feng Yingang . . 4 Wang Jinfeng . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 11 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 269 _Page_last 273 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mvo10b homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mvo10b, chain 1' $mvo10b 'mvo10b, chain 2' $mvo10b stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mvo10b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mvo10b _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; MENSIYVGDKGVMNYVTAVM TLFDKPDINEVILKARGKSI VKAVDVEEVLKNRVMKSVNI KNIALGTEILKSNTGKEINV STIEITISKELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASN 4 SER 5 ILE 6 TYR 7 VAL 8 GLY 9 ASP 10 LYS 11 GLY 12 VAL 13 MET 14 ASN 15 TYR 16 VAL 17 THR 18 ALA 19 VAL 20 MET 21 THR 22 LEU 23 PHE 24 ASP 25 LYS 26 PRO 27 ASP 28 ILE 29 ASN 30 GLU 31 VAL 32 ILE 33 LEU 34 LYS 35 ALA 36 ARG 37 GLY 38 LYS 39 SER 40 ILE 41 VAL 42 LYS 43 ALA 44 VAL 45 ASP 46 VAL 47 GLU 48 GLU 49 VAL 50 LEU 51 LYS 52 ASN 53 ARG 54 VAL 55 MET 56 LYS 57 SER 58 VAL 59 ASN 60 ILE 61 LYS 62 ASN 63 ILE 64 ALA 65 LEU 66 GLY 67 THR 68 GLU 69 ILE 70 LEU 71 LYS 72 SER 73 ASN 74 THR 75 GLY 76 LYS 77 GLU 78 ILE 79 ASN 80 VAL 81 SER 82 THR 83 ILE 84 GLU 85 ILE 86 THR 87 ILE 88 SER 89 LYS 90 GLU 91 LEU 92 GLU 93 HIS 94 HIS 95 HIS 96 HIS 97 HIS 98 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q6ZZY6 'DNA/RNA-binding protein Alba' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mvo10b 'Methanococcus voltae' 2188 Archaea . Methanococcus voltae 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 $mvo10b 'recombinant technology' . Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_c13n15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mvo10b 1 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium azide' 0.01 mM 'natural abundance' DSS 0.01 % 'natural abundance' stop_ save_ save_sample_c13 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mvo10b 1 mM [U-13C] 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium azide' 0.01 mM 'natural abundance' DSS 0.01 % 'natural abundance' stop_ save_ save_sample_n15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mvo10b 1 mM [U-15N] 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium azide' 0.01 mM 'natural abundance' DSS 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_n15 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_n15 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_c13 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_c13 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_c13 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_c13n15 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_c13n15 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_c13n15 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_c13n15 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_c13n15 save_ save_3D_HBHANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_c13n15 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_c13n15 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_c13n15 save_ save_3D_CCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_c13n15 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_c13n15 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D HNCA' stop_ loop_ _Sample_label $sample_n15 $sample_c13 $sample_c13n15 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'mvo10b, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU HA H 4.4960 0.02 1 2 2 2 GLU HB2 H 2.1320 0.02 2 3 2 2 GLU HB3 H 2.0190 0.02 2 4 2 2 GLU HG2 H 2.3070 0.02 2 5 2 2 GLU HG3 H 2.3070 0.02 2 6 2 2 GLU C C 175.5300 0.3 1 7 2 2 GLU CA C 56.6600 0.3 1 8 2 2 GLU CB C 30.0800 0.3 1 9 2 2 GLU CG C 36.3200 0.3 1 10 3 3 ASN H H 8.4760 0.02 1 11 3 3 ASN HA H 4.8450 0.02 1 12 3 3 ASN HB2 H 2.5310 0.02 2 13 3 3 ASN HB3 H 3.4350 0.02 2 14 3 3 ASN HD21 H 7.4870 0.02 1 15 3 3 ASN HD22 H 7.0940 0.02 1 16 3 3 ASN C C 173.5250 0.3 1 17 3 3 ASN CA C 52.6860 0.3 1 18 3 3 ASN CB C 38.2980 0.3 1 19 3 3 ASN N N 120.4020 0.2 1 20 3 3 ASN ND2 N 112.4130 0.2 1 21 4 4 SER H H 7.7960 0.02 1 22 4 4 SER HA H 5.3730 0.02 1 23 4 4 SER HB2 H 3.4030 0.02 2 24 4 4 SER HB3 H 3.6290 0.02 2 25 4 4 SER C C 173.4340 0.3 1 26 4 4 SER CA C 57.0150 0.3 1 27 4 4 SER CB C 65.6340 0.3 1 28 4 4 SER N N 114.0930 0.2 1 29 5 5 ILE H H 8.9480 0.02 1 30 5 5 ILE HA H 4.2640 0.02 1 31 5 5 ILE HB H 1.6480 0.02 1 32 5 5 ILE HG12 H 1.2270 0.02 2 33 5 5 ILE HG13 H 1.0890 0.02 2 34 5 5 ILE HG2 H 0.8060 0.02 1 35 5 5 ILE HD1 H 0.7350 0.02 1 36 5 5 ILE C C 173.9090 0.3 1 37 5 5 ILE CA C 59.1090 0.3 1 38 5 5 ILE CB C 40.4820 0.3 1 39 5 5 ILE CG1 C 26.7750 0.3 1 40 5 5 ILE CG2 C 16.8340 0.3 1 41 5 5 ILE CD1 C 13.2910 0.3 1 42 5 5 ILE N N 124.4950 0.2 1 43 6 6 TYR H H 8.5710 0.02 1 44 6 6 TYR HA H 4.7090 0.02 1 45 6 6 TYR HB2 H 2.8410 0.02 2 46 6 6 TYR HB3 H 2.8410 0.02 2 47 6 6 TYR HD1 H 7.0270 0.02 3 48 6 6 TYR HD2 H 7.0270 0.02 3 49 6 6 TYR HE1 H 6.7260 0.02 3 50 6 6 TYR HE2 H 6.7260 0.02 3 51 6 6 TYR C C 175.5180 0.3 1 52 6 6 TYR CA C 57.2340 0.3 1 53 6 6 TYR CB C 37.8640 0.3 1 54 6 6 TYR CD1 C 133.0460 0.3 3 55 6 6 TYR CD2 C 133.0460 0.3 3 56 6 6 TYR CE1 C 118.0470 0.3 3 57 6 6 TYR CE2 C 118.0470 0.3 3 58 6 6 TYR N N 127.3140 0.2 1 59 7 7 VAL H H 8.7940 0.02 1 60 7 7 VAL HA H 2.6060 0.02 1 61 7 7 VAL HB H 1.6910 0.02 1 62 7 7 VAL HG1 H 0.4090 0.02 2 63 7 7 VAL HG2 H 0.4090 0.02 2 64 7 7 VAL C C 173.6950 0.3 1 65 7 7 VAL CA C 63.0540 0.3 1 66 7 7 VAL CB C 30.7220 0.3 1 67 7 7 VAL CG1 C 21.2630 0.3 2 68 7 7 VAL CG2 C 21.2630 0.3 2 69 7 7 VAL N N 128.1840 0.2 1 70 8 8 GLY H H 6.9150 0.02 1 71 8 8 GLY HA2 H 4.5630 0.02 2 72 8 8 GLY HA3 H 3.7010 0.02 2 73 8 8 GLY C C 174.3400 0.3 1 74 8 8 GLY CA C 45.7530 0.3 1 75 8 8 GLY N N 116.8010 0.2 1 76 9 9 ASP H H 8.672 0.02 1 77 9 9 ASP HA H 4.5900 0.02 1 78 9 9 ASP HB2 H 2.7360 0.02 2 79 9 9 ASP HB3 H 2.8100 0.02 2 80 9 9 ASP C C 177.0770 0.3 1 81 9 9 ASP CA C 55.4700 0.3 1 82 9 9 ASP CB C 41.7890 0.3 1 83 9 9 ASP N N 123.720 0.2 1 84 10 10 LYS H H 7.9190 0.02 1 85 10 10 LYS HA H 4.4650 0.02 1 86 10 10 LYS HB2 H 1.7030 0.02 2 87 10 10 LYS HB3 H 1.7030 0.02 2 88 10 10 LYS HG2 H 1.4450 0.02 2 89 10 10 LYS HG3 H 1.4450 0.02 2 90 10 10 LYS HD2 H 1.5190 0.02 2 91 10 10 LYS HD3 H 1.5190 0.02 2 92 10 10 LYS HE2 H 3.0030 0.02 2 93 10 10 LYS HE3 H 3.0030 0.02 2 94 10 10 LYS C C 175.7150 0.3 1 95 10 10 LYS CA C 55.6780 0.3 1 96 10 10 LYS CB C 32.2000 0.3 1 97 10 10 LYS CG C 24.8420 0.3 1 98 10 10 LYS CD C 29.0590 0.3 1 99 10 10 LYS CE C 42.0540 0.3 1 100 10 10 LYS N N 117.9380 0.2 1 101 11 11 GLY H H 8.2660 0.02 1 102 11 11 GLY HA2 H 4.1780 0.02 2 103 11 11 GLY HA3 H 3.8660 0.02 2 104 11 11 GLY C C 174.5450 0.3 1 105 11 11 GLY CA C 45.4770 0.3 1 106 11 11 GLY N N 106.7050 0.2 1 107 12 12 VAL H H 8.5470 0.02 1 108 12 12 VAL HA H 3.6400 0.02 1 109 12 12 VAL HB H 2.1110 0.02 1 110 12 12 VAL HG1 H 1.2570 0.02 2 111 12 12 VAL HG2 H 0.9490 0.02 2 112 12 12 VAL C C 178.5750 0.3 1 113 12 12 VAL CA C 67.0540 0.3 1 114 12 12 VAL CB C 32.9950 0.3 1 115 12 12 VAL CG1 C 24.0690 0.3 2 116 12 12 VAL CG2 C 20.7400 0.3 2 117 12 12 VAL N N 120.6400 0.2 1 118 13 13 MET H H 8.8350 0.02 1 119 13 13 MET HA H 4.5400 0.02 1 120 13 13 MET HB2 H 2.1000 0.02 2 121 13 13 MET HB3 H 2.1000 0.02 2 122 13 13 MET HG2 H 2.6370 0.02 2 123 13 13 MET HG3 H 2.8430 0.02 2 124 13 13 MET HE H 2.0150 0.02 1 125 13 13 MET C C 179.0800 0.3 1 126 13 13 MET CA C 55.9640 0.3 1 127 13 13 MET CB C 28.9920 0.3 1 128 13 13 MET CG C 32.5130 0.3 1 129 13 13 MET CE C 15.4100 0.3 1 130 13 13 MET N N 114.4330 0.2 1 131 14 14 ASN H H 7.6590 0.02 1 132 14 14 ASN HA H 4.2640 0.02 1 133 14 14 ASN HB2 H 2.4120 0.02 2 134 14 14 ASN HB3 H 2.4770 0.02 2 135 14 14 ASN HD21 H 7.0160 0.02 1 136 14 14 ASN HD22 H 6.7190 0.02 1 137 14 14 ASN C C 177.8300 0.3 1 138 14 14 ASN CA C 57.1910 0.3 1 139 14 14 ASN CB C 38.3840 0.3 1 140 14 14 ASN N N 119.6420 0.2 1 141 14 14 ASN ND2 N 112.4640 0.2 1 142 15 15 TYR H H 7.1680 0.02 1 143 15 15 TYR HA H 4.3720 0.02 1 144 15 15 TYR HB2 H 2.9170 0.02 2 145 15 15 TYR HB3 H 3.0580 0.02 2 146 15 15 TYR HD1 H 6.9540 0.02 3 147 15 15 TYR HD2 H 6.9540 0.02 3 148 15 15 TYR HE1 H 6.9540 0.02 3 149 15 15 TYR HE2 H 6.9540 0.02 3 150 15 15 TYR C C 177.1600 0.3 1 151 15 15 TYR CA C 61.1110 0.3 1 152 15 15 TYR CB C 38.4220 0.3 1 153 15 15 TYR CD1 C 132.0000 0.3 3 154 15 15 TYR CD2 C 132.0000 0.3 3 155 15 15 TYR CE1 C 120.3000 0.3 3 156 15 15 TYR CE2 C 120.3000 0.3 3 157 15 15 TYR N N 117.6970 0.2 1 158 16 16 VAL H H 8.3360 0.02 1 159 16 16 VAL HA H 3.4130 0.02 1 160 16 16 VAL HB H 2.3610 0.02 1 161 16 16 VAL HG1 H 1.1970 0.02 2 162 16 16 VAL HG2 H 0.9180 0.02 2 163 16 16 VAL C C 177.6800 0.3 1 164 16 16 VAL CA C 67.4770 0.3 1 165 16 16 VAL CB C 32.0470 0.3 1 166 16 16 VAL CG1 C 24.2260 0.3 2 167 16 16 VAL CG2 C 21.3910 0.3 2 168 16 16 VAL N N 121.1220 0.2 1 169 17 17 THR H H 8.2140 0.02 1 170 17 17 THR HA H 3.8870 0.02 1 171 17 17 THR HB H 4.2100 0.02 1 172 17 17 THR HG2 H 1.2200 0.02 1 173 17 17 THR C C 176.6000 0.3 1 174 17 17 THR CA C 66.3860 0.3 1 175 17 17 THR CB C 68.4490 0.3 1 176 17 17 THR CG2 C 21.7230 0.3 1 177 17 17 THR N N 114.3820 0.2 1 178 18 18 ALA H H 7.6230 0.02 1 179 18 18 ALA HA H 4.1490 0.02 1 180 18 18 ALA HB H 1.6380 0.02 1 181 18 18 ALA C C 180.2200 0.3 1 182 18 18 ALA CA C 55.5370 0.3 1 183 18 18 ALA CB C 18.0740 0.3 1 184 18 18 ALA N N 125.4560 0.2 1 185 19 19 VAL H H 8.1260 0.02 1 186 19 19 VAL HA H 3.2820 0.02 1 187 19 19 VAL HB H 2.2800 0.02 1 188 19 19 VAL HG1 H 0.9420 0.02 2 189 19 19 VAL HG2 H 0.6780 0.02 2 190 19 19 VAL C C 177.1500 0.3 1 191 19 19 VAL CA C 66.7940 0.3 1 192 19 19 VAL CB C 31.3710 0.3 1 193 19 19 VAL CG1 C 23.6830 0.3 2 194 19 19 VAL CG2 C 22.5200 0.3 2 195 19 19 VAL N N 119.0640 0.2 1 196 20 20 MET H H 8.0780 0.02 1 197 20 20 MET HA H 4.3070 0.02 1 198 20 20 MET HB2 H 2.1970 0.02 2 199 20 20 MET HB3 H 2.1970 0.02 2 200 20 20 MET HG2 H 2.5650 0.02 2 201 20 20 MET HG3 H 2.6510 0.02 2 202 20 20 MET HE H 2.0360 0.02 1 203 20 20 MET C C 179.1100 0.3 1 204 20 20 MET CA C 58.0950 0.3 1 205 20 20 MET CB C 30.9010 0.3 1 206 20 20 MET CG C 31.9820 0.3 1 207 20 20 MET CE C 16.1200 0.3 1 208 20 20 MET N N 116.7460 0.2 1 209 21 21 THR H H 8.3230 0.02 1 210 21 21 THR HA H 4.0380 0.02 1 211 21 21 THR HB H 4.2770 0.02 1 212 21 21 THR HG2 H 1.2630 0.02 1 213 21 21 THR C C 177.0500 0.3 1 214 21 21 THR CA C 66.2730 0.3 1 215 21 21 THR CB C 68.9210 0.3 1 216 21 21 THR CG2 C 21.6230 0.3 1 217 21 21 THR N N 115.4720 0.2 1 218 22 22 LEU H H 7.4730 0.02 1 219 22 22 LEU HA H 4.1130 0.02 1 220 22 22 LEU HB2 H 1.2730 0.02 2 221 22 22 LEU HB3 H 1.8810 0.02 2 222 22 22 LEU HG H 1.7620 0.02 1 223 22 22 LEU HD1 H 0.8320 0.02 2 224 22 22 LEU HD2 H 0.8410 0.02 2 225 22 22 LEU C C 178.4300 0.3 1 226 22 22 LEU CA C 58.3960 0.3 1 227 22 22 LEU CB C 41.7660 0.3 1 228 22 22 LEU CG C 27.1000 0.3 1 229 22 22 LEU CD1 C 25.8730 0.3 2 230 22 22 LEU CD2 C 23.4820 0.3 2 231 22 22 LEU N N 123.2200 0.2 1 232 23 23 PHE H H 8.0590 0.02 1 233 23 23 PHE HA H 4.6340 0.02 1 234 23 23 PHE HB2 H 3.0690 0.02 2 235 23 23 PHE HB3 H 3.2730 0.02 2 236 23 23 PHE HD1 H 7.1780 0.02 3 237 23 23 PHE HD2 H 7.1780 0.02 3 238 23 23 PHE HE1 H 6.9550 0.02 3 239 23 23 PHE HE2 H 6.9420 0.02 3 240 23 23 PHE HZ H 6.9420 0.02 1 241 23 23 PHE C C 176.8300 0.3 1 242 23 23 PHE CA C 58.2110 0.3 1 243 23 23 PHE CB C 38.3810 0.3 1 244 23 23 PHE CD1 C 130.6220 0.3 3 245 23 23 PHE CD2 C 130.6220 0.3 3 246 23 23 PHE CE1 C 130.4730 0.3 3 247 23 23 PHE CE2 C 130.4730 0.3 3 248 23 23 PHE CZ C 128.4500 0.3 1 249 23 23 PHE N N 114.3210 0.2 1 250 24 24 ASP H H 7.5270 0.02 1 251 24 24 ASP HA H 4.7260 0.02 1 252 24 24 ASP HB2 H 2.7680 0.02 2 253 24 24 ASP HB3 H 2.8310 0.02 2 254 24 24 ASP C C 177.2900 0.3 1 255 24 24 ASP CA C 55.2900 0.3 1 256 24 24 ASP CB C 41.5360 0.3 1 257 24 24 ASP N N 118.6010 0.2 1 258 25 25 LYS H H 7.9020 0.02 1 259 25 25 LYS HA H 4.6060 0.02 1 260 25 25 LYS HB2 H 2.0060 0.02 2 261 25 25 LYS HB3 H 2.2100 0.02 2 262 25 25 LYS HG2 H 1.7860 0.02 2 263 25 25 LYS HG3 H 1.6360 0.02 2 264 25 25 LYS HD2 H 1.7860 0.02 2 265 25 25 LYS HD3 H 1.7860 0.02 2 266 25 25 LYS HE2 H 3.0700 0.02 2 267 25 25 LYS HE3 H 3.0700 0.02 2 268 25 25 LYS C C 175.9000 0.3 1 269 25 25 LYS CA C 54.1930 0.3 1 270 25 25 LYS CB C 31.1450 0.3 1 271 25 25 LYS CG C 24.8260 0.3 1 272 25 25 LYS CD C 28.8250 0.3 1 273 25 25 LYS CE C 42.2950 0.3 1 274 25 25 LYS N N 122.3690 0.2 1 275 26 26 PRO HA H 4.3270 0.02 1 276 26 26 PRO HB2 H 1.9500 0.02 2 277 26 26 PRO HB3 H 2.3200 0.02 2 278 26 26 PRO HG2 H 2.0710 0.02 2 279 26 26 PRO HG3 H 2.0710 0.02 2 280 26 26 PRO HD2 H 3.9750 0.02 2 281 26 26 PRO HD3 H 3.7990 0.02 2 282 26 26 PRO C C 177.1100 0.3 1 283 26 26 PRO CA C 64.3510 0.3 1 284 26 26 PRO CB C 31.9840 0.3 1 285 26 26 PRO CG C 27.4230 0.3 1 286 26 26 PRO CD C 50.5810 0.3 1 287 27 27 ASP H H 8.5370 0.02 1 288 27 27 ASP HA H 4.4690 0.02 1 289 27 27 ASP HB2 H 2.7030 0.02 2 290 27 27 ASP HB3 H 2.7970 0.02 2 291 27 27 ASP C C 175.2800 0.3 1 292 27 27 ASP CA C 53.9790 0.3 1 293 27 27 ASP CB C 39.9330 0.3 1 294 27 27 ASP N N 113.3720 0.2 1 295 28 28 ILE H H 7.2280 0.02 1 296 28 28 ILE HA H 4.2720 0.02 1 297 28 28 ILE HB H 2.3070 0.02 1 298 28 28 ILE HG12 H 1.2300 0.02 2 299 28 28 ILE HG13 H 1.5080 0.02 2 300 28 28 ILE HG2 H 0.7210 0.02 1 301 28 28 ILE HD1 H 0.8100 0.02 1 302 28 28 ILE C C 174.8400 0.3 1 303 28 28 ILE CA C 60.3700 0.3 1 304 28 28 ILE CB C 36.3220 0.3 1 305 28 28 ILE CG1 C 26.7240 0.3 1 306 28 28 ILE CG2 C 17.5670 0.3 1 307 28 28 ILE CD1 C 11.4720 0.3 1 308 28 28 ILE N N 120.3570 0.2 1 309 29 29 ASN H H 8.8590 0.02 1 310 29 29 ASN HA H 4.9750 0.02 1 311 29 29 ASN HB2 H 2.7690 0.02 2 312 29 29 ASN HB3 H 2.8640 0.02 2 313 29 29 ASN HD21 H 7.5320 0.02 1 314 29 29 ASN HD22 H 6.8890 0.02 1 315 29 29 ASN C C 174.2300 0.3 1 316 29 29 ASN CA C 53.3180 0.3 1 317 29 29 ASN CB C 40.7340 0.3 1 318 29 29 ASN N N 123.6650 0.2 1 319 29 29 ASN ND2 N 113.2010 0.2 1 320 30 30 GLU H H 7.8590 0.02 1 321 30 30 GLU HA H 5.5790 0.02 1 322 30 30 GLU HB2 H 1.8350 0.02 2 323 30 30 GLU HB3 H 2.0040 0.02 2 324 30 30 GLU HG2 H 2.0240 0.02 2 325 30 30 GLU HG3 H 2.1130 0.02 2 326 30 30 GLU C C 174.1000 0.3 1 327 30 30 GLU CA C 55.0270 0.3 1 328 30 30 GLU CB C 32.7200 0.3 1 329 30 30 GLU CG C 35.4470 0.3 1 330 30 30 GLU N N 117.6070 0.2 1 331 31 31 VAL H H 9.0130 0.02 1 332 31 31 VAL HA H 4.6760 0.02 1 333 31 31 VAL HB H 1.5420 0.02 1 334 31 31 VAL HG1 H 0.6590 0.02 2 335 31 31 VAL HG2 H 0.3550 0.02 2 336 31 31 VAL C C 173.2200 0.3 1 337 31 31 VAL CA C 60.3720 0.3 1 338 31 31 VAL CB C 36.0070 0.3 1 339 31 31 VAL CG1 C 21.7880 0.3 2 340 31 31 VAL CG2 C 22.0900 0.3 2 341 31 31 VAL N N 120.0720 0.2 1 342 32 32 ILE H H 8.3800 0.02 1 343 32 32 ILE HA H 4.8710 0.02 1 344 32 32 ILE HB H 1.5750 0.02 1 345 32 32 ILE HG12 H 1.0970 0.02 2 346 32 32 ILE HG13 H 1.3890 0.02 2 347 32 32 ILE HG2 H 0.6150 0.02 1 348 32 32 ILE HD1 H 0.7600 0.02 1 349 32 32 ILE C C 175.5800 0.3 1 350 32 32 ILE CA C 60.1760 0.3 1 351 32 32 ILE CB C 40.1940 0.3 1 352 32 32 ILE CG1 C 27.5410 0.3 1 353 32 32 ILE CG2 C 18.6330 0.3 1 354 32 32 ILE CD1 C 14.1110 0.3 1 355 32 32 ILE N N 124.7690 0.2 1 356 33 33 LEU H H 9.2290 0.02 1 357 33 33 LEU HA H 4.8720 0.02 1 358 33 33 LEU HB2 H 1.1090 0.02 2 359 33 33 LEU HB3 H 1.7860 0.02 2 360 33 33 LEU HG H 1.5740 0.02 1 361 33 33 LEU HD1 H 0.6260 0.02 2 362 33 33 LEU HD2 H 0.7670 0.02 2 363 33 33 LEU C C 175.6500 0.3 1 364 33 33 LEU CA C 53.3180 0.3 1 365 33 33 LEU CB C 43.6870 0.3 1 366 33 33 LEU CG C 26.6000 0.3 1 367 33 33 LEU CD1 C 23.6700 0.3 2 368 33 33 LEU CD2 C 26.2060 0.3 2 369 33 33 LEU N N 126.4460 0.2 1 370 34 34 LYS H H 8.6170 0.02 1 371 34 34 LYS HA H 5.1900 0.02 1 372 34 34 LYS HB2 H 1.7000 0.02 2 373 34 34 LYS HB3 H 1.1210 0.02 2 374 34 34 LYS HG2 H 1.0660 0.02 2 375 34 34 LYS HG3 H 1.1310 0.02 2 376 34 34 LYS HD2 H 1.3370 0.02 2 377 34 34 LYS HD3 H 1.4460 0.02 2 378 34 34 LYS HE2 H 2.7260 0.02 2 379 34 34 LYS HE3 H 2.7260 0.02 2 380 34 34 LYS C C 174.3000 0.3 1 381 34 34 LYS CA C 54.9300 0.3 1 382 34 34 LYS CB C 35.7260 0.3 1 383 34 34 LYS CG C 26.2250 0.3 1 384 34 34 LYS CD C 29.8670 0.3 1 385 34 34 LYS CE C 42.0530 0.3 1 386 34 34 LYS N N 123.0210 0.2 1 387 35 35 ALA H H 8.3380 0.02 1 388 35 35 ALA HA H 4.6320 0.02 1 389 35 35 ALA HB H 1.0220 0.02 1 390 35 35 ALA C C 174.7700 0.3 1 391 35 35 ALA CA C 51.0320 0.3 1 392 35 35 ALA CB C 25.1270 0.3 1 393 35 35 ALA N N 121.1730 0.2 1 394 36 36 ARG H H 8.4510 0.02 1 395 36 36 ARG HA H 5.2560 0.02 1 396 36 36 ARG HB2 H 1.7560 0.02 2 397 36 36 ARG HB3 H 1.7560 0.02 2 398 36 36 ARG HG2 H 1.5450 0.02 2 399 36 36 ARG HG3 H 1.5920 0.02 2 400 36 36 ARG HD2 H 3.0800 0.02 2 401 36 36 ARG HD3 H 3.0800 0.02 2 402 36 36 ARG HE H 7.669 0.02 1 403 36 36 ARG C C 176.6700 0.3 1 404 36 36 ARG CA C 53.4870 0.3 1 405 36 36 ARG CB C 34.2130 0.3 1 406 36 36 ARG CG C 26.4530 0.3 1 407 36 36 ARG CD C 43.9280 0.3 1 408 36 36 ARG N N 116.7850 0.2 1 409 36 36 ARG NE N 84.690 0.2 1 410 37 37 GLY H H 9.3270 0.02 1 411 37 37 GLY HA2 H 3.9540 0.02 2 412 37 37 GLY HA3 H 3.7700 0.02 2 413 37 37 GLY C C 175.2800 0.3 1 414 37 37 GLY CA C 46.5680 0.3 1 415 37 37 GLY N N 110.6810 0.2 1 416 38 38 LYS H H 8.9480 0.02 1 417 38 38 LYS HA H 4.1320 0.02 1 418 38 38 LYS HB2 H 2.0130 0.02 2 419 38 38 LYS HB3 H 2.0130 0.02 2 420 38 38 LYS HG2 H 1.6160 0.02 2 421 38 38 LYS HG3 H 1.6160 0.02 2 422 38 38 LYS HD2 H 1.7860 0.02 2 423 38 38 LYS HD3 H 1.7860 0.02 2 424 38 38 LYS HE2 H 3.0810 0.02 2 425 38 38 LYS HE3 H 3.0810 0.02 2 426 38 38 LYS C C 178.8600 0.3 1 427 38 38 LYS CA C 59.0950 0.3 1 428 38 38 LYS CB C 31.9750 0.3 1 429 38 38 LYS CG C 24.8830 0.3 1 430 38 38 LYS CD C 29.3820 0.3 1 431 38 38 LYS CE C 42.1470 0.3 1 432 38 38 LYS N N 124.1190 0.2 1 433 39 39 SER H H 7.9550 0.02 1 434 39 39 SER HA H 4.3770 0.02 1 435 39 39 SER HB2 H 4.2570 0.02 2 436 39 39 SER HB3 H 4.0840 0.02 2 437 39 39 SER C C 174.3900 0.3 1 438 39 39 SER CA C 60.7330 0.3 1 439 39 39 SER CB C 63.5340 0.3 1 440 39 39 SER N N 114.8890 0.2 1 441 40 40 ILE H H 8.4320 0.02 1 442 40 40 ILE HA H 3.2420 0.02 1 443 40 40 ILE HB H 1.7020 0.02 1 444 40 40 ILE HG12 H 1.6340 0.02 2 445 40 40 ILE HG13 H 0.6570 0.02 2 446 40 40 ILE HG2 H 0.6040 0.02 1 447 40 40 ILE HD1 H 0.6790 0.02 1 448 40 40 ILE C C 176.7120 0.3 1 449 40 40 ILE CA C 66.2650 0.3 1 450 40 40 ILE CB C 38.2800 0.3 1 451 40 40 ILE CG1 C 29.5180 0.3 1 452 40 40 ILE CG2 C 16.0460 0.3 1 453 40 40 ILE CD1 C 13.3250 0.3 1 454 40 40 ILE N N 123.2730 0.2 1 455 41 41 VAL H H 6.7390 0.02 1 456 41 41 VAL HA H 3.3270 0.02 1 457 41 41 VAL HB H 1.9700 0.02 1 458 41 41 VAL HG1 H 0.9600 0.02 2 459 41 41 VAL HG2 H 1.0340 0.02 2 460 41 41 VAL C C 175.3100 0.3 1 461 41 41 VAL CA C 66.0740 0.3 1 462 41 41 VAL CB C 31.8070 0.3 1 463 41 41 VAL CG1 C 20.3850 0.3 2 464 41 41 VAL CG2 C 23.5480 0.3 2 465 41 41 VAL N N 113.8350 0.2 1 466 42 42 LYS H H 6.3500 0.02 1 467 42 42 LYS HA H 4.0850 0.02 1 468 42 42 LYS HB2 H 1.7400 0.02 2 469 42 42 LYS HB3 H 1.7400 0.02 2 470 42 42 LYS HG2 H 1.6060 0.02 2 471 42 42 LYS HG3 H 1.4990 0.02 2 472 42 42 LYS HD2 H 1.7700 0.02 2 473 42 42 LYS HD3 H 2.0720 0.02 2 474 42 42 LYS HE2 H 3.1950 0.02 2 475 42 42 LYS HE3 H 3.0770 0.02 2 476 42 42 LYS C C 177.5600 0.3 1 477 42 42 LYS CA C 58.5350 0.3 1 478 42 42 LYS CB C 31.1540 0.3 1 479 42 42 LYS CG C 24.5680 0.3 1 480 42 42 LYS CD C 28.5550 0.3 1 481 42 42 LYS CE C 41.6690 0.3 1 482 42 42 LYS N N 118.8460 0.2 1 483 43 43 ALA H H 7.8320 0.02 1 484 43 43 ALA HA H 3.7110 0.02 1 485 43 43 ALA HB H 1.1320 0.02 1 486 43 43 ALA C C 178.1200 0.3 1 487 43 43 ALA CA C 55.4930 0.3 1 488 43 43 ALA CB C 17.3690 0.3 1 489 43 43 ALA N N 119.6770 0.2 1 490 44 44 VAL H H 7.4930 0.02 1 491 44 44 VAL HA H 3.4930 0.02 1 492 44 44 VAL HB H 2.2320 0.02 1 493 44 44 VAL HG1 H 0.9580 0.02 2 494 44 44 VAL HG2 H 1.2210 0.02 2 495 44 44 VAL C C 176.8200 0.3 1 496 44 44 VAL CA C 67.4930 0.3 1 497 44 44 VAL CB C 30.8610 0.3 1 498 44 44 VAL CG1 C 22.6470 0.3 2 499 44 44 VAL CG2 C 22.9490 0.3 2 500 44 44 VAL N N 117.3530 0.2 1 501 45 45 ASP H H 8.7250 0.02 1 502 45 45 ASP HA H 4.0400 0.02 1 503 45 45 ASP HB2 H 3.0990 0.02 2 504 45 45 ASP HB3 H 2.5700 0.02 2 505 45 45 ASP C C 179.4100 0.3 1 506 45 45 ASP CA C 58.2590 0.3 1 507 45 45 ASP CB C 40.4280 0.3 1 508 45 45 ASP N N 120.2020 0.2 1 509 46 46 VAL H H 8.4530 0.02 1 510 46 46 VAL HA H 3.3780 0.02 1 511 46 46 VAL HB H 2.3560 0.02 1 512 46 46 VAL HG1 H 0.7950 0.02 2 513 46 46 VAL HG2 H 1.3670 0.02 2 514 46 46 VAL C C 176.8000 0.3 1 515 46 46 VAL CA C 66.1960 0.3 1 516 46 46 VAL CB C 31.9750 0.3 1 517 46 46 VAL CG1 C 21.1980 0.3 2 518 46 46 VAL CG2 C 24.8860 0.3 2 519 46 46 VAL N N 118.7460 0.2 1 520 47 47 GLU H H 7.9130 0.02 1 521 47 47 GLU HA H 3.6610 0.02 1 522 47 47 GLU HB2 H 1.7090 0.02 2 523 47 47 GLU HB3 H 1.7090 0.02 2 524 47 47 GLU HG2 H 2.1730 0.02 2 525 47 47 GLU HG3 H 2.2400 0.02 2 526 47 47 GLU C C 177.3600 0.3 1 527 47 47 GLU CA C 60.8810 0.3 1 528 47 47 GLU CB C 27.1680 0.3 1 529 47 47 GLU CG C 34.3990 0.3 1 530 47 47 GLU N N 120.3430 0.2 1 531 48 48 GLU H H 8.9280 0.02 1 532 48 48 GLU HA H 3.7050 0.02 1 533 48 48 GLU HB2 H 2.0670 0.02 2 534 48 48 GLU HB3 H 1.8840 0.02 2 535 48 48 GLU HG2 H 2.4810 0.02 2 536 48 48 GLU HG3 H 2.2820 0.02 2 537 48 48 GLU C C 179.2100 0.3 1 538 48 48 GLU CA C 58.8630 0.3 1 539 48 48 GLU CB C 30.5900 0.3 1 540 48 48 GLU CG C 35.4330 0.3 1 541 48 48 GLU N N 119.1460 0.2 1 542 49 49 VAL H H 8.2280 0.02 1 543 49 49 VAL HA H 3.7040 0.02 1 544 49 49 VAL HB H 2.0840 0.02 1 545 49 49 VAL HG1 H 1.0420 0.02 2 546 49 49 VAL HG2 H 0.9480 0.02 2 547 49 49 VAL C C 179.6900 0.3 1 548 49 49 VAL CA C 66.8520 0.3 1 549 49 49 VAL CB C 31.0840 0.3 1 550 49 49 VAL CG1 C 23.1950 0.3 2 551 49 49 VAL CG2 C 23.2660 0.3 2 552 49 49 VAL N N 122.1910 0.2 1 553 50 50 LEU H H 8.1180 0.02 1 554 50 50 LEU HA H 3.8710 0.02 1 555 50 50 LEU HB2 H 1.3960 0.02 2 556 50 50 LEU HB3 H 1.4430 0.02 2 557 50 50 LEU HG H 1.8850 0.02 1 558 50 50 LEU HD1 H 0.9460 0.02 2 559 50 50 LEU HD2 H 0.8960 0.02 2 560 50 50 LEU C C 177.2100 0.3 1 561 50 50 LEU CA C 58.8220 0.3 1 562 50 50 LEU CB C 42.0790 0.3 1 563 50 50 LEU CG C 26.9980 0.3 1 564 50 50 LEU CD1 C 24.5750 0.3 2 565 50 50 LEU CD2 C 27.2460 0.3 2 566 50 50 LEU N N 120.2520 0.2 1 567 51 51 LYS H H 8.2610 0.02 1 568 51 51 LYS HA H 3.8320 0.02 1 569 51 51 LYS HB2 H 1.6430 0.02 2 570 51 51 LYS HB3 H 1.6430 0.02 2 571 51 51 LYS HG2 H 1.2830 0.02 2 572 51 51 LYS HG3 H 1.3930 0.02 2 573 51 51 LYS HD2 H 1.8200 0.02 2 574 51 51 LYS HD3 H 1.8200 0.02 2 575 51 51 LYS HE2 H 3.0180 0.02 2 576 51 51 LYS HE3 H 3.0180 0.02 2 577 51 51 LYS C C 177.1800 0.3 1 578 51 51 LYS CA C 58.8520 0.3 1 579 51 51 LYS CB C 33.0560 0.3 1 580 51 51 LYS CG C 24.1710 0.3 1 581 51 51 LYS CD C 29.0360 0.3 1 582 51 51 LYS CE C 42.1180 0.3 1 583 51 51 LYS N N 116.8090 0.2 1 584 52 52 ASN H H 8.3300 0.02 1 585 52 52 ASN HA H 4.7340 0.02 1 586 52 52 ASN HB2 H 2.8450 0.02 2 587 52 52 ASN HB3 H 2.7200 0.02 2 588 52 52 ASN HD21 H 7.4310 0.02 1 589 52 52 ASN HD22 H 6.6780 0.02 1 590 52 52 ASN C C 176.5600 0.3 1 591 52 52 ASN CA C 54.5760 0.3 1 592 52 52 ASN CB C 39.7090 0.3 1 593 52 52 ASN N N 110.8970 0.2 1 594 52 52 ASN ND2 N 114.1490 0.2 1 595 53 53 ARG H H 7.9800 0.02 1 596 53 53 ARG HA H 4.6570 0.02 1 597 53 53 ARG HB2 H 1.9810 0.02 2 598 53 53 ARG HB3 H 1.9810 0.02 2 599 53 53 ARG HG2 H 1.5390 0.02 2 600 53 53 ARG HG3 H 1.6380 0.02 2 601 53 53 ARG HD2 H 3.1910 0.02 2 602 53 53 ARG HD3 H 3.1910 0.02 2 603 53 53 ARG HE H 7.262 0.02 1 604 53 53 ARG C C 176.2200 0.3 1 605 53 53 ARG CA C 57.5320 0.3 1 606 53 53 ARG CB C 33.2750 0.3 1 607 53 53 ARG CG C 27.0000 0.3 1 608 53 53 ARG CD C 43.4670 0.3 1 609 53 53 ARG N N 116.7050 0.2 1 610 53 53 ARG NE N 84.180 0.2 1 611 54 54 VAL H H 7.7310 0.02 1 612 54 54 VAL HA H 4.0810 0.02 1 613 54 54 VAL HB H 2.0060 0.02 1 614 54 54 VAL HG1 H 0.9900 0.02 2 615 54 54 VAL HG2 H 0.9330 0.02 2 616 54 54 VAL C C 175.5500 0.3 1 617 54 54 VAL CA C 64.9310 0.3 1 618 54 54 VAL CB C 33.9230 0.3 1 619 54 54 VAL CG1 C 21.2990 0.3 2 620 54 54 VAL CG2 C 22.0940 0.3 2 621 54 54 VAL N N 117.3260 0.2 1 622 55 55 MET H H 9.1660 0.02 1 623 55 55 MET HA H 4.4950 0.02 1 624 55 55 MET HB2 H 1.7760 0.02 2 625 55 55 MET HB3 H 2.0130 0.02 2 626 55 55 MET HG2 H 2.3370 0.02 2 627 55 55 MET HG3 H 2.4710 0.02 2 628 55 55 MET HE H 2.0360 0.02 1 629 55 55 MET C C 174.8100 0.3 1 630 55 55 MET CA C 55.4200 0.3 1 631 55 55 MET CB C 34.0420 0.3 1 632 55 55 MET CG C 33.1700 0.3 1 633 55 55 MET CE C 16.1400 0.3 1 634 55 55 MET N N 122.5470 0.2 1 635 56 56 LYS H H 8.1860 0.02 1 636 56 56 LYS HA H 4.3420 0.02 1 637 56 56 LYS HB2 H 1.7460 0.02 2 638 56 56 LYS HB3 H 1.8770 0.02 2 639 56 56 LYS HG2 H 1.3510 0.02 2 640 56 56 LYS HG3 H 1.3510 0.02 2 641 56 56 LYS HD2 H 1.6500 0.02 2 642 56 56 LYS HD3 H 1.6500 0.02 2 643 56 56 LYS HE2 H 2.9850 0.02 2 644 56 56 LYS HE3 H 2.9850 0.02 2 645 56 56 LYS C C 177.2000 0.3 1 646 56 56 LYS CA C 58.5540 0.3 1 647 56 56 LYS CB C 32.2000 0.3 1 648 56 56 LYS CG C 24.8440 0.3 1 649 56 56 LYS CD C 29.0670 0.3 1 650 56 56 LYS CE C 42.0080 0.3 1 651 56 56 LYS N N 119.6280 0.2 1 652 57 57 SER H H 7.8640 0.02 1 653 57 57 SER HA H 4.4270 0.02 1 654 57 57 SER HB2 H 3.7790 0.02 2 655 57 57 SER HB3 H 3.9110 0.02 2 656 57 57 SER C C 173.9900 0.3 1 657 57 57 SER CA C 57.7470 0.3 1 658 57 57 SER CB C 63.3680 0.3 1 659 57 57 SER N N 112.3470 0.2 1 660 58 58 VAL H H 7.7990 0.02 1 661 58 58 VAL HA H 4.3650 0.02 1 662 58 58 VAL HB H 2.1120 0.02 1 663 58 58 VAL HG1 H 0.8840 0.02 2 664 58 58 VAL HG2 H 0.8540 0.02 2 665 58 58 VAL C C 173.5700 0.3 1 666 58 58 VAL CA C 61.2650 0.3 1 667 58 58 VAL CB C 33.2700 0.3 1 668 58 58 VAL CG1 C 20.7400 0.3 2 669 58 58 VAL CG2 C 21.2250 0.3 2 670 58 58 VAL N N 118.3790 0.2 1 671 59 59 ASN H H 8.6140 0.02 1 672 59 59 ASN HA H 4.9830 0.02 1 673 59 59 ASN HB2 H 2.6280 0.02 2 674 59 59 ASN HB3 H 2.6930 0.02 2 675 59 59 ASN HD21 H 7.2330 0.02 1 676 59 59 ASN HD22 H 6.8590 0.02 1 677 59 59 ASN C C 174.1800 0.3 1 678 59 59 ASN CA C 51.6170 0.3 1 679 59 59 ASN CB C 41.4320 0.3 1 680 59 59 ASN N N 120.9820 0.2 1 681 59 59 ASN ND2 N 112.0120 0.2 1 682 60 60 ILE H H 8.8070 0.02 1 683 60 60 ILE HA H 4.4240 0.02 1 684 60 60 ILE HB H 2.1150 0.02 1 685 60 60 ILE HG12 H 1.5230 0.02 2 686 60 60 ILE HG13 H 1.3910 0.02 2 687 60 60 ILE HG2 H 0.7890 0.02 1 688 60 60 ILE HD1 H 0.7980 0.02 1 689 60 60 ILE C C 175.3400 0.3 1 690 60 60 ILE CA C 60.1020 0.3 1 691 60 60 ILE CB C 35.1630 0.3 1 692 60 60 ILE CG1 C 27.6260 0.3 1 693 60 60 ILE CG2 C 18.1330 0.3 1 694 60 60 ILE CD1 C 12.1010 0.3 1 695 60 60 ILE N N 125.2210 0.2 1 696 61 61 LYS H H 8.4640 0.02 1 697 61 61 LYS HA H 4.2000 0.02 1 698 61 61 LYS HB2 H 1.6040 0.02 2 699 61 61 LYS HB3 H 1.6040 0.02 2 700 61 61 LYS HG2 H 1.3260 0.02 2 701 61 61 LYS HG3 H 1.4470 0.02 2 702 61 61 LYS HD2 H 1.5820 0.02 2 703 61 61 LYS HD3 H 1.6590 0.02 2 704 61 61 LYS HE2 H 2.9530 0.02 2 705 61 61 LYS HE3 H 2.9530 0.02 2 706 61 61 LYS C C 176.1900 0.3 1 707 61 61 LYS CA C 57.3210 0.3 1 708 61 61 LYS CB C 34.1420 0.3 1 709 61 61 LYS CG C 24.7300 0.3 1 710 61 61 LYS CD C 29.1650 0.3 1 711 61 61 LYS CE C 41.8180 0.3 1 712 61 61 LYS N N 129.4170 0.2 1 713 62 62 ASN H H 7.4830 0.02 1 714 62 62 ASN HA H 4.8390 0.02 1 715 62 62 ASN HB2 H 2.5440 0.02 2 716 62 62 ASN HB3 H 2.7800 0.02 2 717 62 62 ASN HD21 H 7.5800 0.02 1 718 62 62 ASN HD22 H 6.8910 0.02 1 719 62 62 ASN C C 172.7600 0.3 1 720 62 62 ASN CA C 53.7070 0.3 1 721 62 62 ASN CB C 42.2920 0.3 1 722 62 62 ASN N N 112.6870 0.2 1 723 62 62 ASN ND2 N 113.3150 0.2 1 724 63 63 ILE H H 8.1020 0.02 1 725 63 63 ILE HA H 4.7260 0.02 1 726 63 63 ILE HB H 1.5750 0.02 1 727 63 63 ILE HG12 H 1.6440 0.02 2 728 63 63 ILE HG13 H 1.6440 0.02 2 729 63 63 ILE HG2 H 0.7120 0.02 1 730 63 63 ILE HD1 H 0.7970 0.02 1 731 63 63 ILE C C 173.0100 0.3 1 732 63 63 ILE CA C 61.3240 0.3 1 733 63 63 ILE CB C 40.8730 0.3 1 734 63 63 ILE CG1 C 26.9230 0.3 1 735 63 63 ILE CG2 C 18.0670 0.3 1 736 63 63 ILE CD1 C 14.4310 0.3 1 737 63 63 ILE N N 123.5450 0.2 1 738 64 64 ALA H H 8.8400 0.02 1 739 64 64 ALA HA H 4.7960 0.02 1 740 64 64 ALA HB H 1.2830 0.02 1 741 64 64 ALA C C 176.1200 0.3 1 742 64 64 ALA CA C 50.2120 0.3 1 743 64 64 ALA CB C 21.9480 0.3 1 744 64 64 ALA N N 128.3350 0.2 1 745 65 65 LEU H H 8.8710 0.02 1 746 65 65 LEU HA H 5.1140 0.02 1 747 65 65 LEU HB2 H 1.5030 0.02 2 748 65 65 LEU HB3 H 1.7380 0.02 2 749 65 65 LEU HG H 1.6590 0.02 1 750 65 65 LEU HD1 H 0.8590 0.02 2 751 65 65 LEU HD2 H 0.8740 0.02 2 752 65 65 LEU C C 176.2700 0.3 1 753 65 65 LEU CA C 53.0080 0.3 1 754 65 65 LEU CB C 42.0440 0.3 1 755 65 65 LEU CG C 26.8400 0.3 1 756 65 65 LEU CD1 C 21.7600 0.3 2 757 65 65 LEU CD2 C 25.4200 0.3 2 758 65 65 LEU N N 124.7210 0.2 1 759 66 66 GLY H H 8.0140 0.02 1 760 66 66 GLY HA2 H 3.5070 0.02 2 761 66 66 GLY HA3 H 4.4660 0.02 2 762 66 66 GLY C C 172.4300 0.3 1 763 66 66 GLY CA C 45.6550 0.3 1 764 66 66 GLY N N 111.1280 0.2 1 765 67 67 THR H H 7.6970 0.02 1 766 67 67 THR HA H 5.0670 0.02 1 767 67 67 THR HB H 3.8010 0.02 1 768 67 67 THR HG2 H 1.0120 0.02 1 769 67 67 THR C C 173.5300 0.3 1 770 67 67 THR CA C 62.4910 0.3 1 771 67 67 THR CB C 73.4360 0.3 1 772 67 67 THR CG2 C 21.3000 0.3 1 773 67 67 THR N N 113.1390 0.2 1 774 68 68 GLU H H 9.6480 0.02 1 775 68 68 GLU HA H 4.5640 0.02 1 776 68 68 GLU HB2 H 1.7070 0.02 2 777 68 68 GLU HB3 H 1.8440 0.02 2 778 68 68 GLU HG2 H 2.1260 0.02 2 779 68 68 GLU HG3 H 2.1260 0.02 2 780 68 68 GLU C C 173.8700 0.3 1 781 68 68 GLU CA C 54.7980 0.3 1 782 68 68 GLU CB C 33.1580 0.3 1 783 68 68 GLU CG C 36.5150 0.3 1 784 68 68 GLU N N 128.5010 0.2 1 785 69 69 ILE H H 8.3030 0.02 1 786 69 69 ILE HA H 4.7150 0.02 1 787 69 69 ILE HB H 1.7110 0.02 1 788 69 69 ILE HG12 H 1.1020 0.02 2 789 69 69 ILE HG13 H 1.4540 0.02 2 790 69 69 ILE HG2 H 0.7670 0.02 1 791 69 69 ILE HD1 H 0.7790 0.02 1 792 69 69 ILE C C 176.1500 0.3 1 793 69 69 ILE CA C 60.3950 0.3 1 794 69 69 ILE CB C 38.2750 0.3 1 795 69 69 ILE CG1 C 27.3090 0.3 1 796 69 69 ILE CG2 C 17.6550 0.3 1 797 69 69 ILE CD1 C 12.8250 0.3 1 798 69 69 ILE N N 123.0360 0.2 1 799 70 70 LEU H H 9.0130 0.02 1 800 70 70 LEU HA H 4.6560 0.02 1 801 70 70 LEU HB2 H 1.5520 0.02 2 802 70 70 LEU HB3 H 1.5520 0.02 2 803 70 70 LEU HG H 1.5090 0.02 1 804 70 70 LEU HD1 H 0.8050 0.02 2 805 70 70 LEU HD2 H 0.7860 0.02 2 806 70 70 LEU C C 175.6000 0.3 1 807 70 70 LEU CA C 53.4540 0.3 1 808 70 70 LEU CB C 43.9640 0.3 1 809 70 70 LEU CG C 27.0850 0.3 1 810 70 70 LEU CD1 C 25.1040 0.3 2 811 70 70 LEU CD2 C 23.8690 0.3 2 812 70 70 LEU N N 129.6060 0.2 1 813 71 71 LYS H H 8.3240 0.02 1 814 71 71 LYS HA H 4.8430 0.02 1 815 71 71 LYS HB2 H 1.7040 0.02 2 816 71 71 LYS HB3 H 1.7040 0.02 2 817 71 71 LYS HG2 H 1.3800 0.02 2 818 71 71 LYS HG3 H 1.3800 0.02 2 819 71 71 LYS HD2 H 1.6420 0.02 2 820 71 71 LYS HD3 H 1.6420 0.02 2 821 71 71 LYS HE2 H 2.9630 0.02 2 822 71 71 LYS HE3 H 2.9630 0.02 2 823 71 71 LYS C C 176.8400 0.3 1 824 71 71 LYS CA C 54.8840 0.3 1 825 71 71 LYS CB C 33.8400 0.3 1 826 71 71 LYS CG C 24.8070 0.3 1 827 71 71 LYS CD C 29.0690 0.3 1 828 71 71 LYS CE C 42.1020 0.3 1 829 71 71 LYS N N 121.4320 0.2 1 830 72 72 SER H H 8.8630 0.02 1 831 72 72 SER HA H 4.6530 0.02 1 832 72 72 SER HB2 H 3.8660 0.02 2 833 72 72 SER HB3 H 4.2570 0.02 2 834 72 72 SER C C 175.7600 0.3 1 835 72 72 SER CA C 57.0960 0.3 1 836 72 72 SER CB C 65.1520 0.3 1 837 72 72 SER N N 119.8060 0.2 1 838 73 73 ASN HA H 4.5650 0.02 1 839 73 73 ASN HB2 H 3.0020 0.02 2 840 73 73 ASN HB3 H 2.9220 0.02 2 841 73 73 ASN HD21 H 7.6160 0.02 1 842 73 73 ASN HD22 H 6.9220 0.02 1 843 73 73 ASN C C 176.2200 0.3 1 844 73 73 ASN CA C 55.3360 0.3 1 845 73 73 ASN CB C 37.5890 0.3 1 846 73 73 ASN ND2 N 112.3890 0.2 1 847 74 74 THR H H 7.8750 0.02 1 848 74 74 THR HA H 4.4340 0.02 1 849 74 74 THR HB H 4.5070 0.02 1 850 74 74 THR HG2 H 1.2150 0.02 1 851 74 74 THR C C 175.4200 0.3 1 852 74 74 THR CA C 61.2000 0.3 1 853 74 74 THR CB C 69.4020 0.3 1 854 74 74 THR CG2 C 21.7200 0.3 1 855 74 74 THR N N 108.5350 0.2 1 856 75 75 GLY H H 7.9760 0.02 1 857 75 75 GLY HA2 H 3.6310 0.02 2 858 75 75 GLY HA3 H 4.2870 0.02 2 859 75 75 GLY C C 173.7100 0.3 1 860 75 75 GLY CA C 45.3940 0.3 1 861 75 75 GLY N N 110.1410 0.2 1 862 76 76 LYS H H 7.4520 0.02 1 863 76 76 LYS HA H 4.3380 0.02 1 864 76 76 LYS HB2 H 1.6390 0.02 2 865 76 76 LYS HB3 H 1.7560 0.02 2 866 76 76 LYS HG2 H 1.3480 0.02 2 867 76 76 LYS HG3 H 1.3930 0.02 2 868 76 76 LYS HD2 H 1.6370 0.02 2 869 76 76 LYS HD3 H 1.6370 0.02 2 870 76 76 LYS HE2 H 2.9830 0.02 2 871 76 76 LYS HE3 H 2.9830 0.02 2 872 76 76 LYS C C 175.9800 0.3 1 873 76 76 LYS CA C 55.4500 0.3 1 874 76 76 LYS CB C 33.1120 0.3 1 875 76 76 LYS CG C 24.7490 0.3 1 876 76 76 LYS CD C 28.8800 0.3 1 877 76 76 LYS CE C 42.1570 0.3 1 878 76 76 LYS N N 120.3010 0.2 1 879 77 77 GLU H H 8.5700 0.02 1 880 77 77 GLU HA H 4.6770 0.02 1 881 77 77 GLU HB2 H 1.8200 0.02 2 882 77 77 GLU HB3 H 1.9280 0.02 2 883 77 77 GLU HG2 H 2.0260 0.02 2 884 77 77 GLU HG3 H 2.2850 0.02 2 885 77 77 GLU C C 176.0100 0.3 1 886 77 77 GLU CA C 56.6200 0.3 1 887 77 77 GLU CB C 30.6880 0.3 1 888 77 77 GLU CG C 37.0560 0.3 1 889 77 77 GLU N N 123.6520 0.2 1 890 78 78 ILE H H 8.8190 0.02 1 891 78 78 ILE HA H 4.4120 0.02 1 892 78 78 ILE HB H 1.8050 0.02 1 893 78 78 ILE HG12 H 1.0560 0.02 2 894 78 78 ILE HG13 H 1.3910 0.02 2 895 78 78 ILE HG2 H 0.8630 0.02 1 896 78 78 ILE HD1 H 0.7820 0.02 1 897 78 78 ILE C C 174.0900 0.3 1 898 78 78 ILE CA C 59.9580 0.3 1 899 78 78 ILE CB C 41.3030 0.3 1 900 78 78 ILE CG1 C 26.6950 0.3 1 901 78 78 ILE CG2 C 17.5490 0.3 1 902 78 78 ILE CD1 C 13.2270 0.3 1 903 78 78 ILE N N 122.9750 0.2 1 904 79 79 ASN H H 8.3800 0.02 1 905 79 79 ASN HA H 5.2440 0.02 1 906 79 79 ASN HB2 H 2.5210 0.02 2 907 79 79 ASN HB3 H 2.6470 0.02 2 908 79 79 ASN HD21 H 7.1180 0.02 1 909 79 79 ASN HD22 H 6.7480 0.02 1 910 79 79 ASN C C 174.5900 0.3 1 911 79 79 ASN CA C 52.5040 0.3 1 912 79 79 ASN CB C 39.9560 0.3 1 913 79 79 ASN N N 122.5830 0.2 1 914 79 79 ASN ND2 N 111.0700 0.2 1 915 80 80 VAL H H 9.0900 0.02 1 916 80 80 VAL HA H 4.5350 0.02 1 917 80 80 VAL HB H 1.9910 0.02 1 918 80 80 VAL HG1 H 0.9780 0.02 2 919 80 80 VAL HG2 H 0.9780 0.02 2 920 80 80 VAL C C 174.0800 0.3 1 921 80 80 VAL CA C 60.6090 0.3 1 922 80 80 VAL CB C 35.1800 0.3 1 923 80 80 VAL CG1 C 21.1300 0.3 2 924 80 80 VAL CG2 C 21.1300 0.3 2 925 80 80 VAL N N 122.0390 0.2 1 926 81 81 SER H H 9.2040 0.02 1 927 81 81 SER HA H 5.2610 0.02 1 928 81 81 SER HB2 H 3.6710 0.02 2 929 81 81 SER HB3 H 3.8890 0.02 2 930 81 81 SER C C 173.6600 0.3 1 931 81 81 SER CA C 59.8480 0.3 1 932 81 81 SER CB C 64.0380 0.3 1 933 81 81 SER N N 123.7780 0.2 1 934 82 82 THR H H 8.8300 0.02 1 935 82 82 THR HA H 5.1010 0.02 1 936 82 82 THR HB H 4.2380 0.02 1 937 82 82 THR HG2 H 1.0360 0.02 1 938 82 82 THR C C 172.5400 0.3 1 939 82 82 THR CA C 59.8200 0.3 1 940 82 82 THR CB C 71.8390 0.3 1 941 82 82 THR CG2 C 21.7400 0.3 1 942 82 82 THR N N 113.2600 0.2 1 943 83 83 ILE H H 8.5070 0.02 1 944 83 83 ILE HA H 5.1790 0.02 1 945 83 83 ILE HB H 1.3380 0.02 1 946 83 83 ILE HG12 H 0.9070 0.02 2 947 83 83 ILE HG13 H 1.6160 0.02 2 948 83 83 ILE HG2 H 0.7350 0.02 1 949 83 83 ILE HD1 H 0.5300 0.02 1 950 83 83 ILE C C 172.4500 0.3 1 951 83 83 ILE CA C 59.5830 0.3 1 952 83 83 ILE CB C 43.0930 0.3 1 953 83 83 ILE CG1 C 30.2790 0.3 1 954 83 83 ILE CG2 C 17.5590 0.3 1 955 83 83 ILE CD1 C 13.3640 0.3 1 956 83 83 ILE N N 116.6910 0.2 1 957 84 84 GLU H H 8.2720 0.02 1 958 84 84 GLU HA H 5.2880 0.02 1 959 84 84 GLU HB2 H 1.7670 0.02 2 960 84 84 GLU HB3 H 1.8250 0.02 2 961 84 84 GLU HG2 H 1.9310 0.02 2 962 84 84 GLU HG3 H 2.2760 0.02 2 963 84 84 GLU C C 176.4200 0.3 1 964 84 84 GLU CA C 55.0400 0.3 1 965 84 84 GLU CB C 32.8170 0.3 1 966 84 84 GLU CG C 36.7580 0.3 1 967 84 84 GLU N N 124.1070 0.2 1 968 85 85 ILE H H 9.6360 0.02 1 969 85 85 ILE HA H 4.6270 0.02 1 970 85 85 ILE HB H 1.8320 0.02 1 971 85 85 ILE HG12 H 1.5850 0.02 2 972 85 85 ILE HG13 H 1.5850 0.02 2 973 85 85 ILE HG2 H 0.8300 0.02 1 974 85 85 ILE HD1 H 0.6980 0.02 1 975 85 85 ILE C C 174.6200 0.3 1 976 85 85 ILE CA C 60.6770 0.3 1 977 85 85 ILE CB C 41.4650 0.3 1 978 85 85 ILE CG1 C 27.6040 0.3 1 979 85 85 ILE CG2 C 17.5730 0.3 1 980 85 85 ILE CD1 C 14.1640 0.3 1 981 85 85 ILE N N 127.7250 0.2 1 982 86 86 THR H H 9.2200 0.02 1 983 86 86 THR HA H 4.9010 0.02 1 984 86 86 THR HB H 4.0040 0.02 1 985 86 86 THR HG2 H 1.0570 0.02 1 986 86 86 THR C C 173.6600 0.3 1 987 86 86 THR CA C 63.0470 0.3 1 988 86 86 THR CB C 68.4180 0.3 1 989 86 86 THR CG2 C 21.2900 0.3 1 990 86 86 THR N N 125.0650 0.2 1 991 87 87 ILE H H 9.4310 0.02 1 992 87 87 ILE HA H 4.9120 0.02 1 993 87 87 ILE HB H 1.9440 0.02 1 994 87 87 ILE HG12 H 1.0470 0.02 2 995 87 87 ILE HG13 H 1.7230 0.02 2 996 87 87 ILE HG2 H 0.9570 0.02 1 997 87 87 ILE HD1 H 0.7600 0.02 1 998 87 87 ILE C C 174.5900 0.3 1 999 87 87 ILE CA C 60.0870 0.3 1 1000 87 87 ILE CB C 40.1360 0.3 1 1001 87 87 ILE CG1 C 27.0520 0.3 1 1002 87 87 ILE CG2 C 18.0950 0.3 1 1003 87 87 ILE CD1 C 14.0650 0.3 1 1004 87 87 ILE N N 127.3220 0.2 1 1005 88 88 SER H H 9.3150 0.02 1 1006 88 88 SER HA H 5.5110 0.02 1 1007 88 88 SER HB2 H 3.9390 0.02 2 1008 88 88 SER HB3 H 3.7980 0.02 2 1009 88 88 SER C C 173.8500 0.3 1 1010 88 88 SER CA C 56.4560 0.3 1 1011 88 88 SER CB C 66.3040 0.3 1 1012 88 88 SER N N 119.4300 0.2 1 1013 89 89 LYS H H 8.1520 0.02 1 1014 89 89 LYS HA H 4.1020 0.02 1 1015 89 89 LYS HB2 H 1.2590 0.02 2 1016 89 89 LYS HB3 H 1.3850 0.02 2 1017 89 89 LYS HG2 H 0.8880 0.02 2 1018 89 89 LYS HG3 H 1.0490 0.02 2 1019 89 89 LYS HD2 H 1.5090 0.02 2 1020 89 89 LYS HD3 H 1.5090 0.02 2 1021 89 89 LYS HE2 H 2.8180 0.02 2 1022 89 89 LYS HE3 H 2.9330 0.02 2 1023 89 89 LYS C C 175.9100 0.3 1 1024 89 89 LYS CA C 56.6450 0.3 1 1025 89 89 LYS CB C 33.3190 0.3 1 1026 89 89 LYS CG C 24.5550 0.3 1 1027 89 89 LYS CD C 29.6020 0.3 1 1028 89 89 LYS CE C 42.3960 0.3 1 1029 89 89 LYS N N 122.8480 0.2 1 1030 90 90 GLU H H 8.2470 0.02 1 1031 90 90 GLU HA H 4.2900 0.02 1 1032 90 90 GLU HB2 H 1.8560 0.02 2 1033 90 90 GLU HB3 H 1.9610 0.02 2 1034 90 90 GLU HG2 H 2.1670 0.02 2 1035 90 90 GLU HG3 H 2.1670 0.02 2 1036 90 90 GLU C C 175.8000 0.3 1 1037 90 90 GLU CA C 55.8630 0.3 1 1038 90 90 GLU CB C 30.6980 0.3 1 1039 90 90 GLU CG C 36.0060 0.3 1 1040 90 90 GLU N N 121.4270 0.2 1 1041 91 91 LEU H H 8.3520 0.02 1 1042 91 91 LEU HA H 4.2520 0.02 1 1043 91 91 LEU HB2 H 1.5180 0.02 2 1044 91 91 LEU HB3 H 1.5180 0.02 2 1045 91 91 LEU HG H 1.5720 0.02 1 1046 91 91 LEU HD1 H 0.8080 0.02 2 1047 91 91 LEU HD2 H 0.8740 0.02 2 1048 91 91 LEU C C 177.0700 0.3 1 1049 91 91 LEU CA C 55.1810 0.3 1 1050 91 91 LEU CB C 42.5930 0.3 1 1051 91 91 LEU CG C 26.9690 0.3 1 1052 91 91 LEU CD1 C 23.5250 0.3 2 1053 91 91 LEU CD2 C 24.7910 0.3 2 1054 91 91 LEU N N 124.6520 0.2 1 1055 92 92 GLU H H 8.3050 0.02 1 1056 92 92 GLU HA H 4.1620 0.02 1 1057 92 92 GLU HB2 H 1.8700 0.02 2 1058 92 92 GLU HB3 H 1.8700 0.02 2 1059 92 92 GLU HG2 H 2.1140 0.02 2 1060 92 92 GLU HG3 H 2.1670 0.02 2 1061 92 92 GLU C C 176.0200 0.3 1 1062 92 92 GLU CA C 56.6260 0.3 1 1063 92 92 GLU CB C 30.4320 0.3 1 1064 92 92 GLU CG C 36.1590 0.3 1 1065 92 92 GLU N N 121.3960 0.2 1 1066 93 93 HIS H H 8.3480 0.02 1 1067 93 93 HIS HA H 4.5590 0.02 1 1068 93 93 HIS HB2 H 3.0340 0.02 2 1069 93 93 HIS HB3 H 3.0340 0.02 2 1070 93 93 HIS HD2 H 7.0510 0.02 1 1071 93 93 HIS C C 174.7300 0.3 1 1072 93 93 HIS CA C 55.5220 0.3 1 1073 93 93 HIS CB C 30.0090 0.3 1 1074 93 93 HIS CD2 C 119.8000 0.3 1 1075 93 93 HIS N N 119.9340 0.2 1 1076 97 97 HIS HA H 4.6130 0.02 1 1077 97 97 HIS HB2 H 3.1190 0.02 2 1078 97 97 HIS HB3 H 3.1690 0.02 2 1079 97 97 HIS C C 173.8700 0.3 1 1080 97 97 HIS CA C 55.8500 0.3 1 1081 97 97 HIS CB C 29.9100 0.3 1 1082 98 98 HIS H H 8.1420 0.02 1 1083 98 98 HIS HA H 4.4340 0.02 1 1084 98 98 HIS HB2 H 3.2250 0.02 2 1085 98 98 HIS HB3 H 3.0910 0.02 2 1086 98 98 HIS C C 179.0400 0.3 1 1087 98 98 HIS CA C 57.1830 0.3 1 1088 98 98 HIS CB C 30.0930 0.3 1 1089 98 98 HIS N N 125.2890 0.2 1 stop_ save_