data_27098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of Mth10bTQQA ; _BMRB_accession_number 27098 _BMRB_flat_file_name bmr27098.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" 551 "13C chemical shifts" 407 "15N chemical shifts" 106 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 27097 'assignments of Mvo10b' 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 'mth10btqqa homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mth10btqqa, chain 1' $mth10btqqa 'mth10btqqa, chain 2' $mth10btqqa 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_mth10btqqa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mth10btqqa _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MDSTVYVGNKGVTNYVQAVQ TQFNTENAKEVRIKARGKAI SRAVDVEEMVRNRFLAEVKV KEINLGTDKVQNDDGKSVNI STIEIVLEKLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 SER 4 THR 5 VAL 6 TYR 7 VAL 8 GLY 9 ASN 10 LYS 11 GLY 12 VAL 13 THR 14 ASN 15 TYR 16 VAL 17 GLN 18 ALA 19 VAL 20 GLN 21 THR 22 GLN 23 PHE 24 ASN 25 THR 26 GLU 27 ASN 28 ALA 29 LYS 30 GLU 31 VAL 32 ARG 33 ILE 34 LYS 35 ALA 36 ARG 37 GLY 38 LYS 39 ALA 40 ILE 41 SER 42 ARG 43 ALA 44 VAL 45 ASP 46 VAL 47 GLU 48 GLU 49 MET 50 VAL 51 ARG 52 ASN 53 ARG 54 PHE 55 LEU 56 ALA 57 GLU 58 VAL 59 LYS 60 VAL 61 LYS 62 GLU 63 ILE 64 ASN 65 LEU 66 GLY 67 THR 68 ASP 69 LYS 70 VAL 71 GLN 72 ASN 73 ASP 74 ASP 75 GLY 76 LYS 77 SER 78 VAL 79 ASN 80 ILE 81 SER 82 THR 83 ILE 84 GLU 85 ILE 86 VAL 87 LEU 88 GLU 89 LYS 90 LEU 91 GLU 92 HIS 93 HIS 94 HIS 95 HIS 96 HIS 97 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 A5JSW7 '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 $mth10btqqa 'Methanothermococcus thermolithotrophicus' 2186 Archaea . Methanothermococcus thermolithotrophicus 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 $mth10btqqa 'recombinant technology' . Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_n15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mth10btqqa 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_ save_sample_c13 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mth10btqqa 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_c13n15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mth10btqqa 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_ ############################ # 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_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY 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_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_c13n15 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_c13n15 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_c13n15 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_c13n15 save_ save_3D_HBHANH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_c13n15 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_c13n15 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_c13n15 save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_c13n15 save_ save_3D_CCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _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' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D CCH-COSY' 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 'mth10btqqa, 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 ASP HA H 4.8300 0.02 1 2 2 2 ASP HB2 H 2.8300 0.02 2 3 2 2 ASP HB3 H 2.6670 0.02 2 4 2 2 ASP C C 175.7770 0.3 1 5 2 2 ASP CA C 54.2670 0.3 1 6 2 2 ASP CB C 41.4980 0.3 1 7 3 3 SER H H 8.4410 0.02 1 8 3 3 SER HA H 4.5430 0.02 1 9 3 3 SER HB2 H 3.9820 0.02 2 10 3 3 SER HB3 H 3.8650 0.02 2 11 3 3 SER C C 173.8620 0.3 1 12 3 3 SER CA C 58.4060 0.3 1 13 3 3 SER CB C 63.7290 0.3 1 14 3 3 SER N N 118.0810 0.2 1 15 4 4 THR H H 8.0550 0.02 1 16 4 4 THR HA H 4.7230 0.02 1 17 4 4 THR HB H 3.7820 0.02 1 18 4 4 THR HG2 H 0.5000 0.02 1 19 4 4 THR C C 173.3230 0.3 1 20 4 4 THR CA C 62.5340 0.3 1 21 4 4 THR CB C 70.3040 0.3 1 22 4 4 THR CG2 C 21.1800 0.3 1 23 4 4 THR N N 119.9250 0.2 1 24 5 5 VAL H H 9.0660 0.02 1 25 5 5 VAL HA H 4.0780 0.02 1 26 5 5 VAL HB H 1.7810 0.02 1 27 5 5 VAL HG1 H 0.7690 0.02 2 28 5 5 VAL HG2 H 0.9190 0.02 2 29 5 5 VAL C C 173.5850 0.3 1 30 5 5 VAL CA C 61.8950 0.3 1 31 5 5 VAL CB C 33.3560 0.3 1 32 5 5 VAL CG1 C 20.4000 0.3 2 33 5 5 VAL CG2 C 20.4000 0.3 2 34 5 5 VAL N N 128.4230 0.2 1 35 6 6 TYR H H 8.4690 0.02 1 36 6 6 TYR HA H 4.7410 0.02 1 37 6 6 TYR HB2 H 2.7540 0.02 2 38 6 6 TYR HB3 H 2.8620 0.02 2 39 6 6 TYR HD1 H 7.0500 0.02 3 40 6 6 TYR HD2 H 7.0500 0.02 3 41 6 6 TYR HE1 H 6.7420 0.02 3 42 6 6 TYR HE2 H 6.7420 0.02 3 43 6 6 TYR C C 175.9090 0.3 1 44 6 6 TYR CA C 57.5170 0.3 1 45 6 6 TYR CB C 38.1690 0.3 1 46 6 6 TYR CD1 C 133.3500 0.3 3 47 6 6 TYR CD2 C 133.3500 0.3 3 48 6 6 TYR CE1 C 118.1000 0.3 3 49 6 6 TYR CE2 C 118.1000 0.3 3 50 6 6 TYR N N 127.9100 0.2 1 51 7 7 VAL H H 8.6460 0.02 1 52 7 7 VAL HA H 2.6280 0.02 1 53 7 7 VAL HB H 1.6420 0.02 1 54 7 7 VAL HG1 H 0.5140 0.02 2 55 7 7 VAL HG2 H 0.3960 0.02 2 56 7 7 VAL C C 173.6050 0.3 1 57 7 7 VAL CA C 63.4150 0.3 1 58 7 7 VAL CB C 31.5480 0.3 1 59 7 7 VAL CG1 C 20.7500 0.3 2 60 7 7 VAL CG2 C 22.5000 0.3 2 61 7 7 VAL N N 126.8070 0.2 1 62 8 8 GLY H H 6.7310 0.02 1 63 8 8 GLY HA2 H 4.4100 0.02 2 64 8 8 GLY HA3 H 3.6840 0.02 2 65 8 8 GLY C C 173.5850 0.3 1 66 8 8 GLY CA C 45.2730 0.3 1 67 8 8 GLY N N 116.8730 0.2 1 68 9 9 ASN HA H 4.8970 0.02 1 69 9 9 ASN HB2 H 2.8930 0.02 2 70 9 9 ASN HB3 H 2.9640 0.02 2 71 9 9 ASN HD21 H 7.6210 0.02 1 72 9 9 ASN HD22 H 6.8960 0.02 1 73 9 9 ASN C C 176.5440 0.3 1 74 9 9 ASN CA C 53.1800 0.3 1 75 9 9 ASN CB C 39.1700 0.3 1 76 9 9 ASN ND2 N 112.5100 0.2 1 77 10 10 LYS H H 8.0130 0.02 1 78 10 10 LYS HA H 4.4810 0.02 1 79 10 10 LYS HB2 H 1.7650 0.02 2 80 10 10 LYS HB3 H 1.6040 0.02 2 81 10 10 LYS HG2 H 1.4550 0.02 2 82 10 10 LYS HG3 H 1.5890 0.02 2 83 10 10 LYS HD2 H 1.5920 0.02 2 84 10 10 LYS HD3 H 1.5920 0.02 2 85 10 10 LYS HE2 H 3.0180 0.02 2 86 10 10 LYS HE3 H 3.0180 0.02 2 87 10 10 LYS C C 175.3220 0.3 1 88 10 10 LYS CA C 56.1690 0.3 1 89 10 10 LYS CB C 32.2060 0.3 1 90 10 10 LYS CG C 25.5900 0.3 1 91 10 10 LYS CD C 29.1600 0.3 1 92 10 10 LYS CE C 42.2900 0.3 1 93 10 10 LYS N N 118.3400 0.2 1 94 11 11 GLY H H 8.1840 0.02 1 95 11 11 GLY HA2 H 4.0450 0.02 2 96 11 11 GLY HA3 H 3.8850 0.02 2 97 11 11 GLY C C 174.8310 0.3 1 98 11 11 GLY CA C 45.5490 0.3 1 99 11 11 GLY N N 105.4890 0.2 1 100 12 12 VAL H H 8.5530 0.02 1 101 12 12 VAL HA H 3.7920 0.02 1 102 12 12 VAL HB H 2.2080 0.02 1 103 12 12 VAL HG1 H 1.0480 0.02 2 104 12 12 VAL HG2 H 1.2260 0.02 2 105 12 12 VAL C C 178.0760 0.3 1 106 12 12 VAL CA C 66.9300 0.3 1 107 12 12 VAL CB C 32.8300 0.3 1 108 12 12 VAL CG1 C 21.3200 0.3 2 109 12 12 VAL CG2 C 23.2900 0.3 2 110 12 12 VAL N N 120.7870 0.2 1 111 13 13 THR H H 8.3460 0.02 1 112 13 13 THR HA H 3.8220 0.02 1 113 13 13 THR HB H 4.1930 0.02 1 114 13 13 THR HG2 H 1.2600 0.02 1 115 13 13 THR C C 176.1580 0.3 1 116 13 13 THR CA C 65.9000 0.3 1 117 13 13 THR CB C 68.2000 0.3 1 118 13 13 THR CG2 C 22.3600 0.3 1 119 13 13 THR N N 111.8350 0.2 1 120 14 14 ASN H H 7.6460 0.02 1 121 14 14 ASN HA H 4.2650 0.02 1 122 14 14 ASN HB2 H 2.3630 0.02 2 123 14 14 ASN HB3 H 2.3630 0.02 2 124 14 14 ASN HD21 H 6.9540 0.02 1 125 14 14 ASN HD22 H 6.9540 0.02 1 126 14 14 ASN C C 177.6690 0.3 1 127 14 14 ASN CA C 56.8090 0.3 1 128 14 14 ASN CB C 38.2670 0.3 1 129 14 14 ASN N N 119.7810 0.2 1 130 14 14 ASN ND2 N 112.9700 0.2 1 131 15 15 TYR H H 7.0760 0.02 1 132 15 15 TYR HA H 4.4340 0.02 1 133 15 15 TYR HB2 H 2.9930 0.02 2 134 15 15 TYR HB3 H 2.9930 0.02 2 135 15 15 TYR HD1 H 7.0340 0.02 3 136 15 15 TYR HD2 H 7.0340 0.02 3 137 15 15 TYR HE1 H 7.0340 0.02 3 138 15 15 TYR HE2 H 7.0340 0.02 3 139 15 15 TYR C C 177.4780 0.3 1 140 15 15 TYR CA C 60.1970 0.3 1 141 15 15 TYR CB C 38.6860 0.3 1 142 15 15 TYR CD1 C 133.4000 0.3 3 143 15 15 TYR CD2 C 133.4000 0.3 3 144 15 15 TYR CE1 C 120.2000 0.3 3 145 15 15 TYR CE2 C 120.2000 0.3 3 146 15 15 TYR N N 118.1590 0.2 1 147 16 16 VAL H H 8.3030 0.02 1 148 16 16 VAL HA H 3.3940 0.02 1 149 16 16 VAL HB H 2.1900 0.02 1 150 16 16 VAL HG1 H 0.8860 0.02 2 151 16 16 VAL HG2 H 1.3120 0.02 2 152 16 16 VAL C C 177.8380 0.3 1 153 16 16 VAL CA C 67.1770 0.3 1 154 16 16 VAL CB C 31.8900 0.3 1 155 16 16 VAL CG1 C 20.6800 0.3 2 156 16 16 VAL CG2 C 25.1000 0.3 2 157 16 16 VAL N N 121.0290 0.2 1 158 17 17 GLN H H 8.0570 0.02 1 159 17 17 GLN HA H 4.1080 0.02 1 160 17 17 GLN HB2 H 2.1720 0.02 2 161 17 17 GLN HB3 H 2.1720 0.02 2 162 17 17 GLN HG2 H 2.4200 0.02 2 163 17 17 GLN HG3 H 2.4950 0.02 2 164 17 17 GLN HE21 H 7.3380 0.02 1 165 17 17 GLN HE22 H 6.7750 0.02 1 166 17 17 GLN C C 178.4480 0.3 1 167 17 17 GLN CA C 59.0090 0.3 1 168 17 17 GLN CB C 27.9600 0.3 1 169 17 17 GLN CG C 34.0640 0.3 1 170 17 17 GLN N N 117.9100 0.2 1 171 17 17 GLN NE2 N 111.5200 0.2 1 172 18 18 ALA H H 7.5310 0.02 1 173 18 18 ALA HA H 4.2500 0.02 1 174 18 18 ALA HB H 1.7060 0.02 1 175 18 18 ALA C C 180.3670 0.3 1 176 18 18 ALA CA C 55.6850 0.3 1 177 18 18 ALA CB C 18.1830 0.3 1 178 18 18 ALA N N 122.6760 0.2 1 179 19 19 VAL H H 8.0960 0.02 1 180 19 19 VAL HA H 3.3030 0.02 1 181 19 19 VAL HB H 2.2650 0.02 1 182 19 19 VAL HG1 H 0.9440 0.02 2 183 19 19 VAL HG2 H 0.8280 0.02 2 184 19 19 VAL C C 177.2970 0.3 1 185 19 19 VAL CA C 67.0500 0.3 1 186 19 19 VAL CB C 31.3590 0.3 1 187 19 19 VAL CG1 C 22.8500 0.3 2 188 19 19 VAL CG2 C 22.8500 0.3 2 189 19 19 VAL N N 118.7970 0.2 1 190 20 20 GLN H H 8.6120 0.02 1 191 20 20 GLN HA H 4.0350 0.02 1 192 20 20 GLN HB2 H 2.2850 0.02 2 193 20 20 GLN HB3 H 2.2850 0.02 2 194 20 20 GLN HG2 H 2.3490 0.02 2 195 20 20 GLN HG3 H 2.5190 0.02 2 196 20 20 GLN HE21 H 7.1490 0.02 1 197 20 20 GLN HE22 H 6.6970 0.02 1 198 20 20 GLN C C 178.1950 0.3 1 199 20 20 GLN CA C 60.1900 0.3 1 200 20 20 GLN CB C 28.9000 0.3 1 201 20 20 GLN CG C 34.6500 0.3 1 202 20 20 GLN N N 118.0630 0.2 1 203 20 20 GLN NE2 N 109.4800 0.2 1 204 21 21 THR H H 8.6790 0.02 1 205 21 21 THR HA H 4.0660 0.02 1 206 21 21 THR HB H 4.3420 0.02 1 207 21 21 THR HG2 H 1.2850 0.02 1 208 21 21 THR C C 177.1210 0.3 1 209 21 21 THR CA C 66.9610 0.3 1 210 21 21 THR CB C 69.0570 0.3 1 211 21 21 THR CG2 C 21.7700 0.3 1 212 21 21 THR N N 116.2030 0.2 1 213 22 22 GLN H H 7.6930 0.02 1 214 22 22 GLN HA H 3.8490 0.02 1 215 22 22 GLN HB2 H 1.8470 0.02 2 216 22 22 GLN HB3 H 1.8470 0.02 2 217 22 22 GLN HG2 H 2.1970 0.02 2 218 22 22 GLN HG3 H 2.4350 0.02 2 219 22 22 GLN HE21 H 7.2060 0.02 1 220 22 22 GLN HE22 H 6.7820 0.02 1 221 22 22 GLN C C 177.8420 0.3 1 222 22 22 GLN CA C 59.2470 0.3 1 223 22 22 GLN CB C 27.6010 0.3 1 224 22 22 GLN CG C 33.5120 0.3 1 225 22 22 GLN N N 121.3450 0.2 1 226 22 22 GLN NE2 N 111.3000 0.2 1 227 23 23 PHE H H 7.6770 0.02 1 228 23 23 PHE HA H 4.6530 0.02 1 229 23 23 PHE HB2 H 2.7980 0.02 2 230 23 23 PHE HB3 H 3.0190 0.02 2 231 23 23 PHE HD1 H 7.0470 0.02 3 232 23 23 PHE HD2 H 7.0470 0.02 3 233 23 23 PHE HE1 H 6.7650 0.02 3 234 23 23 PHE HE2 H 6.7650 0.02 3 235 23 23 PHE HZ H 6.7780 0.02 1 236 23 23 PHE C C 177.7120 0.3 1 237 23 23 PHE CA C 59.9160 0.3 1 238 23 23 PHE CB C 39.2450 0.3 1 239 23 23 PHE CD1 C 131.1000 0.3 3 240 23 23 PHE CD2 C 131.1000 0.3 3 241 23 23 PHE CE1 C 130.9300 0.3 3 242 23 23 PHE CE2 C 130.9300 0.3 3 243 23 23 PHE CZ C 129.0000 0.3 1 244 23 23 PHE N N 114.9070 0.2 1 245 24 24 ASN H H 8.6280 0.02 1 246 24 24 ASN HA H 4.8790 0.02 1 247 24 24 ASN HB2 H 2.9780 0.02 2 248 24 24 ASN HB3 H 2.9780 0.02 2 249 24 24 ASN HD21 H 7.5690 0.02 1 250 24 24 ASN HD22 H 6.7600 0.02 1 251 24 24 ASN C C 176.2840 0.3 1 252 24 24 ASN CA C 54.6270 0.3 1 253 24 24 ASN CB C 38.7370 0.3 1 254 24 24 ASN N N 116.0540 0.2 1 255 24 24 ASN ND2 N 110.0500 0.2 1 256 25 25 THR H H 8.2070 0.02 1 257 25 25 THR HA H 4.4990 0.02 1 258 25 25 THR HB H 4.4200 0.02 1 259 25 25 THR HG2 H 1.2780 0.02 1 260 25 25 THR C C 174.9390 0.3 1 261 25 25 THR CA C 63.9970 0.3 1 262 25 25 THR CB C 69.6080 0.3 1 263 25 25 THR CG2 C 21.8300 0.3 1 264 25 25 THR N N 114.8660 0.2 1 265 26 26 GLU H H 7.6830 0.02 1 266 26 26 GLU HA H 4.4390 0.02 1 267 26 26 GLU HB2 H 2.1730 0.02 2 268 26 26 GLU HB3 H 2.2870 0.02 2 269 26 26 GLU HG2 H 2.3010 0.02 2 270 26 26 GLU HG3 H 2.1350 0.02 2 271 26 26 GLU C C 176.4660 0.3 1 272 26 26 GLU CA C 56.1950 0.3 1 273 26 26 GLU CB C 28.8800 0.3 1 274 26 26 GLU CG C 35.5000 0.3 1 275 26 26 GLU N N 118.3050 0.2 1 276 27 27 ASN H H 7.6250 0.02 1 277 27 27 ASN HA H 4.5380 0.02 1 278 27 27 ASN HB2 H 3.0600 0.02 2 279 27 27 ASN HB3 H 2.7400 0.02 2 280 27 27 ASN HD21 H 7.4990 0.02 1 281 27 27 ASN HD22 H 6.7930 0.02 1 282 27 27 ASN C C 174.5810 0.3 1 283 27 27 ASN CA C 54.2330 0.3 1 284 27 27 ASN CB C 37.5680 0.3 1 285 27 27 ASN N N 114.2170 0.2 1 286 27 27 ASN ND2 N 112.5500 0.2 1 287 28 28 ALA H H 8.0340 0.02 1 288 28 28 ALA HA H 4.2060 0.02 1 289 28 28 ALA HB H 1.1410 0.02 1 290 28 28 ALA C C 177.5200 0.3 1 291 28 28 ALA CA C 53.1890 0.3 1 292 28 28 ALA CB C 19.2500 0.3 1 293 28 28 ALA N N 121.1470 0.2 1 294 29 29 LYS H H 8.5910 0.02 1 295 29 29 LYS HA H 4.5340 0.02 1 296 29 29 LYS HB2 H 2.0180 0.02 2 297 29 29 LYS HB3 H 1.8670 0.02 2 298 29 29 LYS HG2 H 1.5650 0.02 2 299 29 29 LYS HG3 H 1.5650 0.02 2 300 29 29 LYS HD2 H 1.7700 0.02 2 301 29 29 LYS HD3 H 1.7400 0.02 2 302 29 29 LYS HE2 H 3.0460 0.02 2 303 29 29 LYS HE3 H 3.0460 0.02 2 304 29 29 LYS C C 175.8950 0.3 1 305 29 29 LYS CA C 57.0880 0.3 1 306 29 29 LYS CB C 33.8700 0.3 1 307 29 29 LYS CG C 25.0900 0.3 1 308 29 29 LYS CD C 28.9300 0.3 1 309 29 29 LYS CE C 42.4000 0.3 1 310 29 29 LYS N N 120.2650 0.2 1 311 30 30 GLU H H 7.6610 0.02 1 312 30 30 GLU HA H 5.5580 0.02 1 313 30 30 GLU HB2 H 1.8800 0.02 2 314 30 30 GLU HB3 H 1.8800 0.02 2 315 30 30 GLU HG2 H 2.1760 0.02 2 316 30 30 GLU HG3 H 2.0830 0.02 2 317 30 30 GLU C C 175.2090 0.3 1 318 30 30 GLU CA C 54.4510 0.3 1 319 30 30 GLU CB C 33.6080 0.3 1 320 30 30 GLU CG C 36.5900 0.3 1 321 30 30 GLU N N 116.6170 0.2 1 322 31 31 VAL H H 8.6700 0.02 1 323 31 31 VAL HA H 4.3380 0.02 1 324 31 31 VAL HB H 1.3490 0.02 1 325 31 31 VAL HG1 H 0.0200 0.02 2 326 31 31 VAL HG2 H 0.6370 0.02 2 327 31 31 VAL C C 173.7860 0.3 1 328 31 31 VAL CA C 61.1130 0.3 1 329 31 31 VAL CB C 35.9520 0.3 1 330 31 31 VAL CG1 C 21.7300 0.3 2 331 31 31 VAL CG2 C 21.4600 0.3 2 332 31 31 VAL N N 121.8210 0.2 1 333 32 32 ARG H H 8.5520 0.02 1 334 32 32 ARG HA H 5.1320 0.02 1 335 32 32 ARG HB2 H 1.7790 0.02 2 336 32 32 ARG HB3 H 1.5150 0.02 2 337 32 32 ARG HG2 H 1.3570 0.02 2 338 32 32 ARG HG3 H 1.6180 0.02 2 339 32 32 ARG HD2 H 3.1810 0.02 2 340 32 32 ARG HD3 H 3.0600 0.02 2 341 32 32 ARG HE H 7.2320 0.02 1 342 32 32 ARG C C 174.2050 0.3 1 343 32 32 ARG CA C 54.4820 0.3 1 344 32 32 ARG CB C 31.5880 0.3 1 345 32 32 ARG CG C 29.0800 0.3 1 346 32 32 ARG CD C 42.9700 0.3 1 347 32 32 ARG N N 125.5320 0.2 1 348 32 32 ARG NE N 84.8900 0.2 1 349 33 33 ILE H H 9.2920 0.02 1 350 33 33 ILE HA H 4.7680 0.02 1 351 33 33 ILE HB H 1.7040 0.02 1 352 33 33 ILE HG12 H 1.5690 0.02 2 353 33 33 ILE HG13 H 0.6610 0.02 2 354 33 33 ILE HG2 H 0.7340 0.02 1 355 33 33 ILE HD1 H 0.7450 0.02 1 356 33 33 ILE C C 175.1260 0.3 1 357 33 33 ILE CA C 60.0710 0.3 1 358 33 33 ILE CB C 40.2420 0.3 1 359 33 33 ILE CG1 C 27.3800 0.3 1 360 33 33 ILE CG2 C 18.0400 0.3 1 361 33 33 ILE CD1 C 14.4800 0.3 1 362 33 33 ILE N N 124.6560 0.2 1 363 34 34 LYS H H 8.4670 0.02 1 364 34 34 LYS HA H 5.3670 0.02 1 365 34 34 LYS HB2 H 1.1030 0.02 2 366 34 34 LYS HB3 H 1.7560 0.02 2 367 34 34 LYS HG2 H 1.2530 0.02 2 368 34 34 LYS HG3 H 1.1800 0.02 2 369 34 34 LYS HD2 H 1.5380 0.02 2 370 34 34 LYS HD3 H 1.5380 0.02 2 371 34 34 LYS HE2 H 2.8910 0.02 2 372 34 34 LYS HE3 H 2.7740 0.02 2 373 34 34 LYS C C 174.2430 0.3 1 374 34 34 LYS CA C 54.5950 0.3 1 375 34 34 LYS CB C 37.1400 0.3 1 376 34 34 LYS CG C 26.5800 0.3 1 377 34 34 LYS CD C 29.8200 0.3 1 378 34 34 LYS CE C 42.1300 0.3 1 379 34 34 LYS N N 126.2830 0.2 1 380 35 35 ALA H H 8.2920 0.02 1 381 35 35 ALA HA H 4.6660 0.02 1 382 35 35 ALA HB H 1.1400 0.02 1 383 35 35 ALA C C 174.8980 0.3 1 384 35 35 ALA CA C 51.0130 0.3 1 385 35 35 ALA CB C 25.4250 0.3 1 386 35 35 ALA N N 120.2820 0.2 1 387 36 36 ARG H H 8.6380 0.02 1 388 36 36 ARG HA H 5.3300 0.02 1 389 36 36 ARG HB2 H 1.7750 0.02 2 390 36 36 ARG HB3 H 1.7750 0.02 2 391 36 36 ARG HG2 H 1.6180 0.02 2 392 36 36 ARG HG3 H 1.6180 0.02 2 393 36 36 ARG HD2 H 3.1250 0.02 2 394 36 36 ARG HD3 H 3.1250 0.02 2 395 36 36 ARG HE H 7.4290 0.02 1 396 36 36 ARG C C 176.8260 0.3 1 397 36 36 ARG CA C 53.9800 0.3 1 398 36 36 ARG CB C 34.1740 0.3 1 399 36 36 ARG CG C 26.5500 0.3 1 400 36 36 ARG CD C 44.5600 0.3 1 401 36 36 ARG N N 116.6850 0.2 1 402 36 36 ARG NE N 83.8400 0.2 1 403 37 37 GLY H H 9.2220 0.02 1 404 37 37 GLY HA2 H 4.0180 0.02 2 405 37 37 GLY HA3 H 4.0180 0.02 2 406 37 37 GLY C C 175.9350 0.3 1 407 37 37 GLY CA C 46.5700 0.3 1 408 37 37 GLY N N 110.0130 0.2 1 409 38 38 LYS HA H 4.1280 0.02 1 410 38 38 LYS HB2 H 2.0050 0.02 2 411 38 38 LYS HB3 H 1.9460 0.02 2 412 38 38 LYS HG2 H 1.6350 0.02 2 413 38 38 LYS HG3 H 1.6010 0.02 2 414 38 38 LYS HD2 H 1.8000 0.02 2 415 38 38 LYS HD3 H 1.8000 0.02 2 416 38 38 LYS HE2 H 3.1000 0.02 2 417 38 38 LYS HE3 H 3.1000 0.02 2 418 38 38 LYS C C 178.2170 0.3 1 419 38 38 LYS CA C 58.7590 0.3 1 420 38 38 LYS CB C 31.9670 0.3 1 421 38 38 LYS CG C 25.3400 0.3 1 422 38 38 LYS CD C 29.3200 0.3 1 423 38 38 LYS CE C 42.3000 0.3 1 424 39 39 ALA H H 7.7690 0.02 1 425 39 39 ALA HA H 4.2540 0.02 1 426 39 39 ALA HB H 1.6240 0.02 1 427 39 39 ALA C C 177.5060 0.3 1 428 39 39 ALA CA C 53.5220 0.3 1 429 39 39 ALA CB C 18.7170 0.3 1 430 39 39 ALA N N 119.9100 0.2 1 431 40 40 ILE H H 8.0520 0.02 1 432 40 40 ILE HA H 3.2480 0.02 1 433 40 40 ILE HB H 1.6210 0.02 1 434 40 40 ILE HG12 H 1.6320 0.02 2 435 40 40 ILE HG13 H 0.6460 0.02 2 436 40 40 ILE HG2 H 0.6600 0.02 1 437 40 40 ILE HD1 H 0.7140 0.02 1 438 40 40 ILE C C 177.4220 0.3 1 439 40 40 ILE CA C 66.5140 0.3 1 440 40 40 ILE CB C 37.5690 0.3 1 441 40 40 ILE CG1 C 29.7200 0.3 1 442 40 40 ILE CG2 C 16.5100 0.3 1 443 40 40 ILE CD1 C 13.6700 0.3 1 444 40 40 ILE N N 120.4220 0.2 1 445 41 41 SER H H 7.2490 0.02 1 446 41 41 SER HA H 3.7670 0.02 1 447 41 41 SER HB2 H 3.9360 0.02 2 448 41 41 SER HB3 H 3.9360 0.02 2 449 41 41 SER C C 174.7490 0.3 1 450 41 41 SER CA C 62.1900 0.3 1 451 41 41 SER CB C 62.6300 0.3 1 452 41 41 SER N N 111.5230 0.2 1 453 42 42 ARG H H 6.6790 0.02 1 454 42 42 ARG HA H 4.2670 0.02 1 455 42 42 ARG HB2 H 1.8500 0.02 2 456 42 42 ARG HB3 H 1.9990 0.02 2 457 42 42 ARG HG2 H 1.6690 0.02 2 458 42 42 ARG HG3 H 1.8140 0.02 2 459 42 42 ARG HD2 H 3.5210 0.02 2 460 42 42 ARG HD3 H 3.3640 0.02 2 461 42 42 ARG HE H 7.4810 0.02 1 462 42 42 ARG C C 177.8010 0.3 1 463 42 42 ARG CA C 58.2120 0.3 1 464 42 42 ARG CB C 29.2200 0.3 1 465 42 42 ARG CG C 28.1200 0.3 1 466 42 42 ARG CD C 43.2600 0.3 1 467 42 42 ARG N N 121.6100 0.2 1 468 42 42 ARG NE N 84.3000 0.2 1 469 43 43 ALA H H 8.0760 0.02 1 470 43 43 ALA HA H 3.7280 0.02 1 471 43 43 ALA HB H 1.2240 0.02 1 472 43 43 ALA C C 178.7050 0.3 1 473 43 43 ALA CA C 55.6320 0.3 1 474 43 43 ALA CB C 17.6560 0.3 1 475 43 43 ALA N N 121.2160 0.2 1 476 44 44 VAL H H 7.3780 0.02 1 477 44 44 VAL HA H 3.5910 0.02 1 478 44 44 VAL HB H 2.2410 0.02 1 479 44 44 VAL HG1 H 0.9780 0.02 2 480 44 44 VAL HG2 H 1.2050 0.02 2 481 44 44 VAL C C 176.7280 0.3 1 482 44 44 VAL CA C 67.3030 0.3 1 483 44 44 VAL CB C 30.5950 0.3 1 484 44 44 VAL CG1 C 23.2700 0.3 2 485 44 44 VAL CG2 C 22.9600 0.3 2 486 44 44 VAL N N 117.2080 0.2 1 487 45 45 ASP H H 7.8840 0.02 1 488 45 45 ASP HA H 4.1590 0.02 1 489 45 45 ASP HB2 H 2.6870 0.02 2 490 45 45 ASP HB3 H 3.1850 0.02 2 491 45 45 ASP C C 179.2770 0.3 1 492 45 45 ASP CA C 58.1540 0.3 1 493 45 45 ASP CB C 40.5750 0.3 1 494 45 45 ASP N N 120.3350 0.2 1 495 46 46 VAL H H 8.3390 0.02 1 496 46 46 VAL HA H 3.4760 0.02 1 497 46 46 VAL HB H 2.3740 0.02 1 498 46 46 VAL HG1 H 0.7740 0.02 2 499 46 46 VAL HG2 H 1.3370 0.02 2 500 46 46 VAL C C 176.7510 0.3 1 501 46 46 VAL CA C 66.1080 0.3 1 502 46 46 VAL CB C 31.6790 0.3 1 503 46 46 VAL CG1 C 20.8400 0.3 2 504 46 46 VAL CG2 C 24.7700 0.3 2 505 46 46 VAL N N 118.8140 0.2 1 506 47 47 GLU H H 8.1550 0.02 1 507 47 47 GLU HA H 3.5810 0.02 1 508 47 47 GLU HB2 H 2.8700 0.02 2 509 47 47 GLU HB3 H 1.8430 0.02 2 510 47 47 GLU HG2 H 2.4240 0.02 2 511 47 47 GLU HG3 H 2.1500 0.02 2 512 47 47 GLU C C 177.2320 0.3 1 513 47 47 GLU CA C 61.3020 0.3 1 514 47 47 GLU CB C 27.5140 0.3 1 515 47 47 GLU CG C 35.2300 0.3 1 516 47 47 GLU N N 120.0860 0.2 1 517 48 48 GLU H H 9.0210 0.02 1 518 48 48 GLU HA H 3.6680 0.02 1 519 48 48 GLU HB2 H 2.0530 0.02 2 520 48 48 GLU HB3 H 1.8860 0.02 2 521 48 48 GLU HG2 H 2.4440 0.02 2 522 48 48 GLU HG3 H 2.3530 0.02 2 523 48 48 GLU C C 179.0950 0.3 1 524 48 48 GLU CA C 58.5700 0.3 1 525 48 48 GLU CB C 30.7250 0.3 1 526 48 48 GLU CG C 35.4700 0.3 1 527 48 48 GLU N N 119.2120 0.2 1 528 49 49 MET H H 8.1530 0.02 1 529 49 49 MET HA H 4.2210 0.02 1 530 49 49 MET HB2 H 2.0170 0.02 2 531 49 49 MET HB3 H 2.2210 0.02 2 532 49 49 MET HG2 H 2.7290 0.02 2 533 49 49 MET HG3 H 2.5150 0.02 2 534 49 49 MET HE H 2.0890 0.02 1 535 49 49 MET C C 179.2720 0.3 1 536 49 49 MET CA C 59.1690 0.3 1 537 49 49 MET CB C 32.4290 0.3 1 538 49 49 MET CG C 32.9300 0.3 1 539 49 49 MET CE C 17.1000 0.3 1 540 49 49 MET N N 120.4660 0.2 1 541 50 50 VAL H H 8.4240 0.02 1 542 50 50 VAL HA H 3.6320 0.02 1 543 50 50 VAL HB H 2.3090 0.02 1 544 50 50 VAL HG1 H 0.9960 0.02 2 545 50 50 VAL HG2 H 1.1600 0.02 2 546 50 50 VAL C C 177.4060 0.3 1 547 50 50 VAL CA C 67.1300 0.3 1 548 50 50 VAL CB C 31.6080 0.3 1 549 50 50 VAL CG1 C 21.7800 0.3 2 550 50 50 VAL CG2 C 24.3000 0.3 2 551 50 50 VAL N N 119.1050 0.2 1 552 51 51 ARG H H 8.5220 0.02 1 553 51 51 ARG HA H 3.8890 0.02 1 554 51 51 ARG HB2 H 1.8070 0.02 2 555 51 51 ARG HB3 H 1.8070 0.02 2 556 51 51 ARG HG2 H 1.4700 0.02 2 557 51 51 ARG HG3 H 1.6990 0.02 2 558 51 51 ARG HD2 H 3.4080 0.02 2 559 51 51 ARG HD3 H 3.1460 0.02 2 560 51 51 ARG HE H 7.3700 0.02 1 561 51 51 ARG C C 178.0320 0.3 1 562 51 51 ARG CA C 60.4400 0.3 1 563 51 51 ARG CB C 30.6000 0.3 1 564 51 51 ARG CG C 28.0100 0.3 1 565 51 51 ARG CD C 43.8700 0.3 1 566 51 51 ARG N N 119.2140 0.2 1 567 51 51 ARG NE N 83.2400 0.2 1 568 52 52 ASN H H 7.8920 0.02 1 569 52 52 ASN HA H 4.5110 0.02 1 570 52 52 ASN HB2 H 2.7150 0.02 2 571 52 52 ASN HB3 H 2.8630 0.02 2 572 52 52 ASN HD21 H 7.5450 0.02 1 573 52 52 ASN HD22 H 6.6450 0.02 1 574 52 52 ASN C C 176.6420 0.3 1 575 52 52 ASN CA C 56.0630 0.3 1 576 52 52 ASN CB C 39.1490 0.3 1 577 52 52 ASN N N 113.8460 0.2 1 578 52 52 ASN ND2 N 112.5200 0.2 1 579 53 53 ARG H H 7.6650 0.02 1 580 53 53 ARG HA H 4.2010 0.02 1 581 53 53 ARG HB2 H 1.6200 0.02 2 582 53 53 ARG HB3 H 1.7610 0.02 2 583 53 53 ARG HG2 H 1.4420 0.02 2 584 53 53 ARG HG3 H 1.3380 0.02 2 585 53 53 ARG HD2 H 3.0190 0.02 2 586 53 53 ARG HD3 H 2.9820 0.02 2 587 53 53 ARG HE H 7.1140 0.02 1 588 53 53 ARG C C 176.7370 0.3 1 589 53 53 ARG CA C 57.4000 0.3 1 590 53 53 ARG CB C 30.6000 0.3 1 591 53 53 ARG CG C 27.1000 0.3 1 592 53 53 ARG CD C 43.2800 0.3 1 593 53 53 ARG N N 117.6630 0.2 1 594 53 53 ARG NE N 84.7200 0.2 1 595 54 54 PHE H H 7.8740 0.02 1 596 54 54 PHE HA H 4.7080 0.02 1 597 54 54 PHE HB2 H 2.8100 0.02 2 598 54 54 PHE HB3 H 3.2100 0.02 2 599 54 54 PHE HD1 H 7.4000 0.02 3 600 54 54 PHE HD2 H 7.4000 0.02 3 601 54 54 PHE HE1 H 7.2900 0.02 3 602 54 54 PHE HE2 H 7.2900 0.02 3 603 54 54 PHE HZ H 7.2900 0.02 1 604 54 54 PHE C C 175.9770 0.3 1 605 54 54 PHE CA C 57.8150 0.3 1 606 54 54 PHE CB C 39.5710 0.3 1 607 54 54 PHE CD1 C 132.2800 0.3 3 608 54 54 PHE CD2 C 132.2800 0.3 3 609 54 54 PHE CE1 C 130.7800 0.3 3 610 54 54 PHE CE2 C 130.7800 0.3 3 611 54 54 PHE CZ C 132.7800 0.3 1 612 54 54 PHE N N 117.7620 0.2 1 613 55 55 LEU H H 7.7640 0.02 1 614 55 55 LEU HA H 4.2140 0.02 1 615 55 55 LEU HB2 H 1.8080 0.02 2 616 55 55 LEU HB3 H 1.5790 0.02 2 617 55 55 LEU HG H 1.6070 0.02 1 618 55 55 LEU HD1 H 0.9120 0.02 2 619 55 55 LEU HD2 H 0.9230 0.02 2 620 55 55 LEU C C 177.2230 0.3 1 621 55 55 LEU CA C 57.2300 0.3 1 622 55 55 LEU CB C 41.4910 0.3 1 623 55 55 LEU CG C 26.9000 0.3 1 624 55 55 LEU CD1 C 25.0700 0.3 2 625 55 55 LEU CD2 C 24.0000 0.3 2 626 55 55 LEU N N 121.5470 0.2 1 627 56 56 ALA H H 8.1730 0.02 1 628 56 56 ALA HA H 4.3230 0.02 1 629 56 56 ALA HB H 1.4050 0.02 1 630 56 56 ALA C C 177.5770 0.3 1 631 56 56 ALA CA C 52.9920 0.3 1 632 56 56 ALA CB C 18.9810 0.3 1 633 56 56 ALA N N 120.0860 0.2 1 634 57 57 GLU H H 8.2110 0.02 1 635 57 57 GLU HA H 4.3700 0.02 1 636 57 57 GLU HB2 H 1.9890 0.02 2 637 57 57 GLU HB3 H 2.1760 0.02 2 638 57 57 GLU HG2 H 2.3060 0.02 2 639 57 57 GLU HG3 H 2.3890 0.02 2 640 57 57 GLU C C 175.2770 0.3 1 641 57 57 GLU CA C 57.2450 0.3 1 642 57 57 GLU CB C 31.1770 0.3 1 643 57 57 GLU CG C 36.7400 0.3 1 644 57 57 GLU N N 116.4380 0.2 1 645 58 58 VAL H H 7.6120 0.02 1 646 58 58 VAL HA H 4.8980 0.02 1 647 58 58 VAL HB H 1.7000 0.02 1 648 58 58 VAL HG1 H 0.3240 0.02 2 649 58 58 VAL HG2 H 0.4820 0.02 2 650 58 58 VAL C C 173.8350 0.3 1 651 58 58 VAL CA C 59.8800 0.3 1 652 58 58 VAL CB C 35.1170 0.3 1 653 58 58 VAL CG1 C 21.3700 0.3 2 654 58 58 VAL CG2 C 22.2800 0.3 2 655 58 58 VAL N N 116.5240 0.2 1 656 59 59 LYS H H 8.8220 0.02 1 657 59 59 LYS HA H 4.7330 0.02 1 658 59 59 LYS HB2 H 1.7530 0.02 2 659 59 59 LYS HB3 H 1.7530 0.02 2 660 59 59 LYS HG2 H 1.3260 0.02 2 661 59 59 LYS HG3 H 1.1960 0.02 2 662 59 59 LYS HD2 H 1.6620 0.02 2 663 59 59 LYS HD3 H 1.6620 0.02 2 664 59 59 LYS HE2 H 2.9350 0.02 2 665 59 59 LYS HE3 H 2.9350 0.02 2 666 59 59 LYS C C 175.0880 0.3 1 667 59 59 LYS CA C 53.8900 0.3 1 668 59 59 LYS CB C 36.3900 0.3 1 669 59 59 LYS CG C 24.0980 0.3 1 670 59 59 LYS CD C 29.1900 0.3 1 671 59 59 LYS CE C 42.2100 0.3 1 672 59 59 LYS N N 122.4630 0.2 1 673 60 60 VAL H H 8.8060 0.02 1 674 60 60 VAL HA H 4.0850 0.02 1 675 60 60 VAL HB H 2.0420 0.02 1 676 60 60 VAL HG1 H 0.8590 0.02 2 677 60 60 VAL HG2 H 0.8100 0.02 2 678 60 60 VAL C C 175.4200 0.3 1 679 60 60 VAL CA C 63.5860 0.3 1 680 60 60 VAL CB C 31.2900 0.3 1 681 60 60 VAL CG1 C 22.0000 0.3 2 682 60 60 VAL CG2 C 22.0000 0.3 2 683 60 60 VAL N N 122.7510 0.2 1 684 61 61 LYS H H 9.3720 0.02 1 685 61 61 LYS HA H 4.2640 0.02 1 686 61 61 LYS HB2 H 1.6700 0.02 2 687 61 61 LYS HB3 H 1.5500 0.02 2 688 61 61 LYS HG2 H 1.4410 0.02 2 689 61 61 LYS HG3 H 1.2770 0.02 2 690 61 61 LYS HD2 H 1.5950 0.02 2 691 61 61 LYS HD3 H 1.4600 0.02 2 692 61 61 LYS HE2 H 2.9330 0.02 2 693 61 61 LYS HE3 H 2.9030 0.02 2 694 61 61 LYS C C 176.0740 0.3 1 695 61 61 LYS CA C 57.9400 0.3 1 696 61 61 LYS CB C 35.0060 0.3 1 697 61 61 LYS CG C 24.9000 0.3 1 698 61 61 LYS CD C 29.6500 0.3 1 699 61 61 LYS CE C 42.0000 0.3 1 700 61 61 LYS N N 131.6030 0.2 1 701 62 62 GLU H H 7.4640 0.02 1 702 62 62 GLU HA H 4.6030 0.02 1 703 62 62 GLU HB2 H 2.0480 0.02 2 704 62 62 GLU HB3 H 1.8820 0.02 2 705 62 62 GLU HG2 H 2.0100 0.02 2 706 62 62 GLU HG3 H 2.0100 0.02 2 707 62 62 GLU C C 173.4180 0.3 1 708 62 62 GLU CA C 55.6120 0.3 1 709 62 62 GLU CB C 33.2190 0.3 1 710 62 62 GLU CG C 35.6400 0.3 1 711 62 62 GLU N N 113.7860 0.2 1 712 63 63 ILE H H 8.2560 0.02 1 713 63 63 ILE HA H 4.9000 0.02 1 714 63 63 ILE HB H 1.5850 0.02 1 715 63 63 ILE HG12 H 1.5850 0.02 2 716 63 63 ILE HG13 H 0.8300 0.02 2 717 63 63 ILE HG2 H 0.7360 0.02 1 718 63 63 ILE HD1 H 0.8300 0.02 1 719 63 63 ILE C C 173.6280 0.3 1 720 63 63 ILE CA C 60.8000 0.3 1 721 63 63 ILE CB C 41.3000 0.3 1 722 63 63 ILE CG1 C 28.5600 0.3 1 723 63 63 ILE CG2 C 18.1000 0.3 1 724 63 63 ILE CD1 C 15.0600 0.3 1 725 63 63 ILE N N 121.4540 0.2 1 726 64 64 ASN H H 9.1960 0.02 1 727 64 64 ASN HA H 5.2020 0.02 1 728 64 64 ASN HB2 H 2.6390 0.02 2 729 64 64 ASN HB3 H 2.6390 0.02 2 730 64 64 ASN HD21 H 7.6400 0.02 1 731 64 64 ASN HD22 H 7.6400 0.02 1 732 64 64 ASN C C 174.5700 0.3 1 733 64 64 ASN CA C 52.1590 0.3 1 734 64 64 ASN CB C 41.6790 0.3 1 735 64 64 ASN N N 122.6000 0.2 1 736 64 64 ASN ND2 N 116.2000 0.2 1 737 65 65 LEU H H 9.2380 0.02 1 738 65 65 LEU HA H 5.1390 0.02 1 739 65 65 LEU HB2 H 1.4840 0.02 2 740 65 65 LEU HB3 H 1.8260 0.02 2 741 65 65 LEU HG H 1.7500 0.02 1 742 65 65 LEU HD1 H 0.9040 0.02 2 743 65 65 LEU HD2 H 0.8720 0.02 2 744 65 65 LEU C C 176.1740 0.3 1 745 65 65 LEU CA C 53.1710 0.3 1 746 65 65 LEU CB C 42.1700 0.3 1 747 65 65 LEU CG C 26.8200 0.3 1 748 65 65 LEU CD1 C 26.0500 0.3 2 749 65 65 LEU CD2 C 22.3300 0.3 2 750 65 65 LEU N N 126.9030 0.2 1 751 66 66 GLY H H 8.0350 0.02 1 752 66 66 GLY HA2 H 4.3500 0.02 2 753 66 66 GLY HA3 H 3.5530 0.02 2 754 66 66 GLY C C 172.1050 0.3 1 755 66 66 GLY CA C 45.5900 0.3 1 756 66 66 GLY N N 110.2100 0.2 1 757 67 67 THR H H 7.7870 0.02 1 758 67 67 THR HA H 4.9500 0.02 1 759 67 67 THR HB H 3.8480 0.02 1 760 67 67 THR HG2 H 1.0310 0.02 1 761 67 67 THR C C 173.2490 0.3 1 762 67 67 THR CA C 62.5510 0.3 1 763 67 67 THR CB C 73.4220 0.3 1 764 67 67 THR CG2 C 21.3300 0.3 1 765 67 67 THR N N 113.7700 0.2 1 766 68 68 ASP H H 9.5310 0.02 1 767 68 68 ASP HA H 5.0000 0.02 1 768 68 68 ASP HB2 H 2.3680 0.02 2 769 68 68 ASP HB3 H 2.4710 0.02 2 770 68 68 ASP C C 174.2970 0.3 1 771 68 68 ASP CA C 52.2580 0.3 1 772 68 68 ASP CB C 43.4590 0.3 1 773 68 68 ASP N N 128.5610 0.2 1 774 69 69 LYS H H 8.3550 0.02 1 775 69 69 LYS HA H 5.0930 0.02 1 776 69 69 LYS HB2 H 1.6500 0.02 2 777 69 69 LYS HB3 H 1.6500 0.02 2 778 69 69 LYS HG2 H 1.3360 0.02 2 779 69 69 LYS HG3 H 1.3360 0.02 2 780 69 69 LYS HD2 H 1.6500 0.02 2 781 69 69 LYS HD3 H 1.6500 0.02 2 782 69 69 LYS HE2 H 2.9300 0.02 2 783 69 69 LYS HE3 H 2.9300 0.02 2 784 69 69 LYS C C 176.3210 0.3 1 785 69 69 LYS CA C 55.3210 0.3 1 786 69 69 LYS CB C 33.5800 0.3 1 787 69 69 LYS CG C 24.5900 0.3 1 788 69 69 LYS CD C 29.2000 0.3 1 789 69 69 LYS CE C 42.1000 0.3 1 790 69 69 LYS N N 121.7980 0.2 1 791 70 70 VAL H H 8.8870 0.02 1 792 70 70 VAL HA H 4.4170 0.02 1 793 70 70 VAL HB H 2.0360 0.02 1 794 70 70 VAL HG1 H 0.7660 0.02 2 795 70 70 VAL HG2 H 0.8170 0.02 2 796 70 70 VAL C C 174.4280 0.3 1 797 70 70 VAL CA C 60.1940 0.3 1 798 70 70 VAL CB C 34.7240 0.3 1 799 70 70 VAL CG1 C 20.1300 0.3 2 800 70 70 VAL CG2 C 21.3100 0.3 2 801 70 70 VAL N N 122.8260 0.2 1 802 71 71 GLN H H 8.3650 0.02 1 803 71 71 GLN HA H 4.8230 0.02 1 804 71 71 GLN HB2 H 1.9420 0.02 2 805 71 71 GLN HB3 H 1.9420 0.02 2 806 71 71 GLN HG2 H 2.1900 0.02 2 807 71 71 GLN HG3 H 2.3130 0.02 2 808 71 71 GLN HE21 H 7.4380 0.02 1 809 71 71 GLN HE22 H 6.6860 0.02 1 810 71 71 GLN C C 176.1950 0.3 1 811 71 71 GLN CA C 55.0940 0.3 1 812 71 71 GLN CB C 30.5100 0.3 1 813 71 71 GLN CG C 34.3900 0.3 1 814 71 71 GLN N N 122.7940 0.2 1 815 71 71 GLN NE2 N 111.2300 0.2 1 816 72 72 ASN H H 8.7310 0.02 1 817 72 72 ASN HA H 4.9030 0.02 1 818 72 72 ASN HB2 H 2.9400 0.02 2 819 72 72 ASN HB3 H 3.2470 0.02 2 820 72 72 ASN HD21 H 7.5850 0.02 1 821 72 72 ASN HD22 H 6.8060 0.02 1 822 72 72 ASN C C 176.8950 0.3 1 823 72 72 ASN CA C 51.5380 0.3 1 824 72 72 ASN CB C 39.4550 0.3 1 825 72 72 ASN N N 123.5550 0.2 1 826 72 72 ASN ND2 N 111.3200 0.2 1 827 73 73 ASP H H 8.5120 0.02 1 828 73 73 ASP HA H 4.4010 0.02 1 829 73 73 ASP HB2 H 2.7490 0.02 2 830 73 73 ASP HB3 H 2.6370 0.02 2 831 73 73 ASP C C 176.2820 0.3 1 832 73 73 ASP CA C 56.6460 0.3 1 833 73 73 ASP CB C 40.0260 0.3 1 834 73 73 ASP N N 119.4650 0.2 1 835 74 74 ASP H H 7.7860 0.02 1 836 74 74 ASP HA H 4.6470 0.02 1 837 74 74 ASP HB2 H 2.7520 0.02 2 838 74 74 ASP HB3 H 2.7520 0.02 2 839 74 74 ASP C C 176.7670 0.3 1 840 74 74 ASP CA C 54.0370 0.3 1 841 74 74 ASP CB C 40.8040 0.3 1 842 74 74 ASP N N 117.1150 0.2 1 843 75 75 GLY H H 8.1170 0.02 1 844 75 75 GLY HA2 H 4.2180 0.02 2 845 75 75 GLY HA3 H 3.6830 0.02 2 846 75 75 GLY C C 174.1680 0.3 1 847 75 75 GLY CA C 45.1920 0.3 1 848 75 75 GLY N N 107.7090 0.2 1 849 76 76 LYS H H 7.8060 0.02 1 850 76 76 LYS HA H 4.4400 0.02 1 851 76 76 LYS HB2 H 1.7940 0.02 2 852 76 76 LYS HB3 H 1.7940 0.02 2 853 76 76 LYS HG2 H 1.4050 0.02 2 854 76 76 LYS HG3 H 1.3220 0.02 2 855 76 76 LYS HD2 H 1.6520 0.02 2 856 76 76 LYS HD3 H 1.6520 0.02 2 857 76 76 LYS HE2 H 2.9890 0.02 2 858 76 76 LYS HE3 H 2.9890 0.02 2 859 76 76 LYS C C 175.7160 0.3 1 860 76 76 LYS CA C 55.4540 0.3 1 861 76 76 LYS CB C 33.3000 0.3 1 862 76 76 LYS CG C 24.9900 0.3 1 863 76 76 LYS CD C 28.9200 0.3 1 864 76 76 LYS CE C 42.3400 0.3 1 865 76 76 LYS N N 121.1490 0.2 1 866 77 77 SER H H 8.4250 0.02 1 867 77 77 SER HA H 5.0240 0.02 1 868 77 77 SER HB2 H 3.6920 0.02 2 869 77 77 SER HB3 H 3.6920 0.02 2 870 77 77 SER C C 174.2610 0.3 1 871 77 77 SER CA C 58.1510 0.3 1 872 77 77 SER CB C 64.2330 0.3 1 873 77 77 SER N N 117.5850 0.2 1 874 78 78 VAL H H 8.9780 0.02 1 875 78 78 VAL HA H 4.4670 0.02 1 876 78 78 VAL HB H 2.0920 0.02 1 877 78 78 VAL HG1 H 0.8870 0.02 2 878 78 78 VAL HG2 H 0.8330 0.02 2 879 78 78 VAL C C 173.8580 0.3 1 880 78 78 VAL CA C 60.1610 0.3 1 881 78 78 VAL CB C 35.2220 0.3 1 882 78 78 VAL CG1 C 21.4300 0.3 2 883 78 78 VAL CG2 C 19.8300 0.3 2 884 78 78 VAL N N 122.4650 0.2 1 885 79 79 ASN H H 8.2700 0.02 1 886 79 79 ASN HA H 5.3370 0.02 1 887 79 79 ASN HB2 H 2.7110 0.02 2 888 79 79 ASN HB3 H 2.5730 0.02 2 889 79 79 ASN HD21 H 7.3640 0.02 1 890 79 79 ASN HD22 H 6.7530 0.02 1 891 79 79 ASN C C 175.1420 0.3 1 892 79 79 ASN CA C 52.3510 0.3 1 893 79 79 ASN CB C 39.5450 0.3 1 894 79 79 ASN N N 121.5090 0.2 1 895 79 79 ASN ND2 N 111.4200 0.2 1 896 80 80 ILE H H 9.1340 0.02 1 897 80 80 ILE HA H 4.5580 0.02 1 898 80 80 ILE HB H 1.7050 0.02 1 899 80 80 ILE HG12 H 1.6290 0.02 2 900 80 80 ILE HG13 H 1.2630 0.02 2 901 80 80 ILE HG2 H 0.9190 0.02 1 902 80 80 ILE HD1 H 0.8680 0.02 1 903 80 80 ILE C C 173.8140 0.3 1 904 80 80 ILE CA C 59.9300 0.3 1 905 80 80 ILE CB C 41.6560 0.3 1 906 80 80 ILE CG1 C 28.0600 0.3 1 907 80 80 ILE CG2 C 17.1400 0.3 1 908 80 80 ILE CD1 C 13.7200 0.3 1 909 80 80 ILE N N 123.7160 0.2 1 910 81 81 SER H H 9.0550 0.02 1 911 81 81 SER HA H 5.1820 0.02 1 912 81 81 SER HB2 H 3.8350 0.02 2 913 81 81 SER HB3 H 3.7520 0.02 2 914 81 81 SER C C 173.7130 0.3 1 915 81 81 SER CA C 60.0250 0.3 1 916 81 81 SER CB C 64.1630 0.3 1 917 81 81 SER N N 124.8110 0.2 1 918 82 82 THR H H 8.9590 0.02 1 919 82 82 THR HA H 5.0740 0.02 1 920 82 82 THR HB H 4.2410 0.02 1 921 82 82 THR HG2 H 1.0120 0.02 1 922 82 82 THR C C 172.2940 0.3 1 923 82 82 THR CA C 60.0990 0.3 1 924 82 82 THR CB C 71.7780 0.3 1 925 82 82 THR CG2 C 21.2600 0.3 1 926 82 82 THR N N 113.6600 0.2 1 927 83 83 ILE H H 8.5380 0.02 1 928 83 83 ILE HA H 5.0540 0.02 1 929 83 83 ILE HB H 1.3830 0.02 1 930 83 83 ILE HG12 H 1.5650 0.02 2 931 83 83 ILE HG13 H 0.9280 0.02 2 932 83 83 ILE HG2 H 0.7850 0.02 1 933 83 83 ILE HD1 H 0.5430 0.02 1 934 83 83 ILE C C 171.7570 0.3 1 935 83 83 ILE CA C 59.8900 0.3 1 936 83 83 ILE CB C 42.8520 0.3 1 937 83 83 ILE CG1 C 31.0000 0.3 1 938 83 83 ILE CG2 C 17.8500 0.3 1 939 83 83 ILE CD1 C 13.4800 0.3 1 940 83 83 ILE N N 116.7190 0.2 1 941 84 84 GLU H H 8.2410 0.02 1 942 84 84 GLU HA H 5.1950 0.02 1 943 84 84 GLU HB2 H 2.0860 0.02 2 944 84 84 GLU HB3 H 1.8650 0.02 2 945 84 84 GLU HG2 H 1.8260 0.02 2 946 84 84 GLU HG3 H 1.8260 0.02 2 947 84 84 GLU C C 174.2580 0.3 1 948 84 84 GLU CA C 54.5460 0.3 1 949 84 84 GLU CB C 33.2530 0.3 1 950 84 84 GLU CG C 37.0000 0.3 1 951 84 84 GLU N N 127.0130 0.2 1 952 85 85 ILE H H 9.5710 0.02 1 953 85 85 ILE HA H 4.5080 0.02 1 954 85 85 ILE HB H 1.7410 0.02 1 955 85 85 ILE HG12 H 0.8350 0.02 2 956 85 85 ILE HG13 H 1.5800 0.02 2 957 85 85 ILE HG2 H 0.8200 0.02 1 958 85 85 ILE HD1 H 0.6840 0.02 1 959 85 85 ILE C C 174.3400 0.3 1 960 85 85 ILE CA C 60.4110 0.3 1 961 85 85 ILE CB C 41.2120 0.3 1 962 85 85 ILE CG1 C 27.9700 0.3 1 963 85 85 ILE CG2 C 18.0900 0.3 1 964 85 85 ILE CD1 C 14.7300 0.3 1 965 85 85 ILE N N 127.3770 0.2 1 966 86 86 VAL H H 9.0930 0.02 1 967 86 86 VAL HA H 4.5770 0.02 1 968 86 86 VAL HB H 2.0730 0.02 1 969 86 86 VAL HG1 H 0.7730 0.02 2 970 86 86 VAL HG2 H 0.8010 0.02 2 971 86 86 VAL C C 175.0640 0.3 1 972 86 86 VAL CA C 62.0680 0.3 1 973 86 86 VAL CB C 32.0940 0.3 1 974 86 86 VAL CG1 C 20.8300 0.3 2 975 86 86 VAL CG2 C 21.7100 0.3 2 976 86 86 VAL N N 127.6470 0.2 1 977 87 87 LEU H H 9.3070 0.02 1 978 87 87 LEU HA H 5.2500 0.02 1 979 87 87 LEU HB2 H 2.0380 0.02 2 980 87 87 LEU HB3 H 1.3950 0.02 2 981 87 87 LEU HG H 1.7090 0.02 1 982 87 87 LEU HD1 H 0.8320 0.02 2 983 87 87 LEU HD2 H 0.8820 0.02 2 984 87 87 LEU C C 175.0900 0.3 1 985 87 87 LEU CA C 53.0860 0.3 1 986 87 87 LEU CB C 45.0380 0.3 1 987 87 87 LEU CG C 26.7900 0.3 1 988 87 87 LEU CD1 C 24.4300 0.3 2 989 87 87 LEU CD2 C 26.6400 0.3 2 990 87 87 LEU N N 127.9490 0.2 1 991 88 88 GLU H H 9.1930 0.02 1 992 88 88 GLU HA H 5.4500 0.02 1 993 88 88 GLU HB2 H 1.9840 0.02 2 994 88 88 GLU HB3 H 1.8650 0.02 2 995 88 88 GLU HG2 H 2.1750 0.02 2 996 88 88 GLU HG3 H 2.1750 0.02 2 997 88 88 GLU C C 174.1020 0.3 1 998 88 88 GLU CA C 54.0000 0.3 1 999 88 88 GLU CB C 34.5630 0.3 1 1000 88 88 GLU CG C 35.7000 0.3 1 1001 88 88 GLU N N 120.6540 0.2 1 1002 89 89 LYS H H 8.5050 0.02 1 1003 89 89 LYS HA H 4.4780 0.02 1 1004 89 89 LYS HB2 H 1.6940 0.02 2 1005 89 89 LYS HB3 H 1.1940 0.02 2 1006 89 89 LYS HG2 H 1.1150 0.02 2 1007 89 89 LYS HG3 H 1.2600 0.02 2 1008 89 89 LYS HD2 H 1.4470 0.02 2 1009 89 89 LYS HD3 H 1.3540 0.02 2 1010 89 89 LYS HE2 H 2.8770 0.02 2 1011 89 89 LYS HE3 H 2.8770 0.02 2 1012 89 89 LYS C C 175.9820 0.3 1 1013 89 89 LYS CA C 55.3000 0.3 1 1014 89 89 LYS CB C 33.6430 0.3 1 1015 89 89 LYS CG C 24.7000 0.3 1 1016 89 89 LYS CD C 29.2800 0.3 1 1017 89 89 LYS CE C 41.9800 0.3 1 1018 89 89 LYS N N 124.9880 0.2 1 1019 90 90 LEU H H 8.3710 0.02 1 1020 90 90 LEU HA H 4.3000 0.02 1 1021 90 90 LEU HB2 H 1.3900 0.02 2 1022 90 90 LEU HB3 H 1.4820 0.02 2 1023 90 90 LEU HG H 1.4410 0.02 1 1024 90 90 LEU HD1 H 0.7890 0.02 2 1025 90 90 LEU HD2 H 0.7700 0.02 2 1026 90 90 LEU C C 176.6300 0.3 1 1027 90 90 LEU CA C 54.7860 0.3 1 1028 90 90 LEU CB C 42.5540 0.3 1 1029 90 90 LEU CG C 27.2700 0.3 1 1030 90 90 LEU CD1 C 25.0300 0.3 2 1031 90 90 LEU CD2 C 23.4000 0.3 2 1032 90 90 LEU N N 127.3190 0.2 1 1033 91 91 GLU H H 8.3610 0.02 1 1034 91 91 GLU HA H 4.2590 0.02 1 1035 91 91 GLU HB2 H 1.8710 0.02 2 1036 91 91 GLU HB3 H 1.8710 0.02 2 1037 91 91 GLU HG2 H 2.2060 0.02 2 1038 91 91 GLU HG3 H 2.1350 0.02 2 1039 91 91 GLU C C 175.8640 0.3 1 1040 91 91 GLU CA C 56.0840 0.3 1 1041 91 91 GLU CB C 30.6480 0.3 1 1042 91 91 GLU CG C 36.2000 0.3 1 1043 91 91 GLU N N 121.5520 0.2 1 1044 92 92 HIS H H 8.4430 0.02 1 1045 92 92 HIS HA H 4.6130 0.02 1 1046 92 92 HIS HB2 H 3.0500 0.02 2 1047 92 92 HIS HB3 H 3.0500 0.02 2 1048 92 92 HIS C C 174.5610 0.3 1 1049 92 92 HIS CA C 55.8730 0.3 1 1050 92 92 HIS CB C 30.1450 0.3 1 1051 92 92 HIS N N 120.7110 0.2 1 1052 96 96 HIS HA H 4.6330 0.02 1 1053 96 96 HIS HB2 H 3.1530 0.02 2 1054 96 96 HIS HB3 H 3.1530 0.02 2 1055 96 96 HIS CA C 56.0600 0.3 1 1056 96 96 HIS CB C 29.7800 0.3 1 1057 97 97 HIS H H 8.1410 0.02 1 1058 97 97 HIS HA H 4.4440 0.02 1 1059 97 97 HIS HB2 H 3.2360 0.02 2 1060 97 97 HIS HB3 H 3.1040 0.02 2 1061 97 97 HIS C C 179.0110 0.3 1 1062 97 97 HIS CA C 57.4550 0.3 1 1063 97 97 HIS CB C 30.0140 0.3 1 1064 97 97 HIS N N 125.3090 0.2 1 stop_ save_