data_4817 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 15N and 13C chemical shifts for Mj0307 from Methanococcus jannascii ; _BMRB_accession_number 4817 _BMRB_flat_file_name bmr4817.str _Entry_type original _Submission_date 2000-08-31 _Accession_date 2000-09-01 _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 Cave John W. . 2 Cho Ho S. . 3 Batchelder Abigail M. . 4 Yokota H. . . 5 Kim R. . . 6 Wemmer David E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 432 "13C chemical shifts" 253 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-08 update BMRB 'switch the chemical shifts of H and N of residue 64 GLY' 2000-12-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Nuclear Magnetic Resonance Structure of a Protein Disulfide Oxidoreductase from Methanococcus jannaschii ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21167488 _PubMed_ID 11266624 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cave John W. . 2 Cho Ho S. . 3 Batchelder Abigail M. . 4 Yokota H. . . 5 Kim R. . . 6 Wemmer David E. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 384 _Page_last 396 _Year 2001 _Details . loop_ _Keyword 'protein disulfide oxidoreductase' thioredoxin glutaredoxin 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_Mj0307 _Saveframe_category molecular_system _Mol_system_name 'Mj0307 reduced form' _Abbreviation_common Mj0307 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Mj0307 $Mj0307 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'protein disulfide oxidoreductase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mj0307 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mj0307 _Abbreviation_common Mj0307 _Molecular_mass 9404 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MSKVKIELFTSPMCPHCPAA KRVVEEVANEMPDAVEVEYI NVMENPQKAMEYGIMAVPTI VINGDVEFIGAPTKEALVEA IKKRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 VAL 5 LYS 6 ILE 7 GLU 8 LEU 9 PHE 10 THR 11 SER 12 PRO 13 MET 14 CYS 15 PRO 16 HIS 17 CYS 18 PRO 19 ALA 20 ALA 21 LYS 22 ARG 23 VAL 24 VAL 25 GLU 26 GLU 27 VAL 28 ALA 29 ASN 30 GLU 31 MET 32 PRO 33 ASP 34 ALA 35 VAL 36 GLU 37 VAL 38 GLU 39 TYR 40 ILE 41 ASN 42 VAL 43 MET 44 GLU 45 ASN 46 PRO 47 GLN 48 LYS 49 ALA 50 MET 51 GLU 52 TYR 53 GLY 54 ILE 55 MET 56 ALA 57 VAL 58 PRO 59 THR 60 ILE 61 VAL 62 ILE 63 ASN 64 GLY 65 ASP 66 VAL 67 GLU 68 PHE 69 ILE 70 GLY 71 ALA 72 PRO 73 THR 74 LYS 75 GLU 76 ALA 77 LEU 78 VAL 79 GLU 80 ALA 81 ILE 82 LYS 83 LYS 84 ARG 85 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FO5 "Solution Structure Of Reduced Mj0307" 100.00 85 100.00 100.00 1.47e-52 GB AAB98293 "thioredoxin (trx) [Methanocaldococcus jannaschii DSM 2661]" 100.00 85 100.00 100.00 1.47e-52 GB ACV25141 "redox-active disulfide protein 1 [Methanocaldococcus fervens AG86]" 100.00 85 97.65 97.65 7.85e-51 GB ADC69759 "redox-active disulfide protein 1 [Methanocaldococcus sp. FS406-22]" 100.00 85 98.82 100.00 7.47e-52 GB AIJ05727 "thioredoxin [Methanocaldococcus sp. JH146]" 100.00 85 98.82 100.00 8.80e-52 REF NP_247280 "thioredoxin [Methanocaldococcus jannaschii DSM 2661]" 100.00 85 100.00 100.00 1.47e-52 REF WP_010869805 "thioredoxin [Methanocaldococcus jannaschii]" 100.00 85 100.00 100.00 1.47e-52 REF WP_012980668 "thioredoxin [Methanocaldococcus sp. FS406-22]" 100.00 85 98.82 100.00 7.47e-52 REF WP_015791875 "thioredoxin [Methanocaldococcus fervens]" 100.00 85 97.65 97.65 7.85e-51 REF YP_003128641 "redox-active disulfide protein 1 [Methanocaldococcus fervens AG86]" 100.00 85 97.65 97.65 7.85e-51 SP Q57755 "RecName: Full=Thioredoxin [Methanocaldococcus jannaschii DSM 2661]" 100.00 85 100.00 100.00 1.47e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _ATCC_number _Fraction _Gene_mnemonic $Mj0307 . 2190 Archaea Euryarchaeota Methanococcus jannaschii 43067 cytoplasm Mj0307 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 $Mj0307 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mj0307 1.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mj0307 1.5 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mj0307 1.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 97 loop_ _Task 'data processing' stop_ _Details 'Biosym/MSI, San Diego, CA' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-13C_NOESY_(3D)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY (3D)' _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY (3D)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis DSS H 1 'methyl protons' ppm 0.0 internal direct . . . . C 13 . ppm 0.0 internal indirect . . . . N 15 . ppm 0.0 internal indirect . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Mj0307 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 LYS CA C 56.70 0.2 1 2 . 3 LYS HA H 4.50 0.1 1 3 . 3 LYS CB C 35.80 0.2 1 4 . 3 LYS HB2 H 1.60 0.1 1 5 . 3 LYS HB3 H 1.60 0.1 1 6 . 3 LYS CG C 25.50 0.2 1 7 . 3 LYS HG2 H 1.40 0.1 1 8 . 3 LYS HG3 H 1.40 0.1 1 9 . 3 LYS CD C 29.70 0.2 1 10 . 3 LYS HD2 H 1.40 0.1 1 11 . 3 LYS HD3 H 1.40 0.1 1 12 . 3 LYS CE C 42.50 0.2 1 13 . 3 LYS HE2 H 2.70 0.1 1 14 . 3 LYS HE3 H 2.70 0.1 1 15 . 4 VAL H H 8.57 0.1 1 16 . 4 VAL N N 122.92 0.2 1 17 . 4 VAL CA C 62.65 0.2 1 18 . 4 VAL HA H 4.35 0.1 1 19 . 4 VAL CB C 33.35 0.2 1 20 . 4 VAL HB H 2.10 0.1 1 21 . 4 VAL CG1 C 22.65 0.2 1 22 . 4 VAL CG2 C 22.65 0.2 1 23 . 4 VAL HG1 H 1.00 0.1 1 24 . 4 VAL HG2 H 0.85 0.1 1 25 . 5 LYS H H 8.72 0.1 1 26 . 5 LYS N N 128.00 0.2 1 27 . 5 LYS CA C 55.10 0.2 1 28 . 5 LYS HA H 4.95 0.1 1 29 . 5 LYS CB C 33.65 0.2 1 30 . 5 LYS HB2 H 2.00 0.1 1 31 . 5 LYS HB3 H 2.00 0.1 1 32 . 5 LYS CG C 25.45 0.2 1 33 . 5 LYS HG2 H 1.30 0.1 1 34 . 5 LYS HG3 H 1.30 0.1 1 35 . 5 LYS CD C 28.95 0.2 1 36 . 5 LYS HD2 H 1.75 0.1 1 37 . 5 LYS HD3 H 1.75 0.1 1 38 . 5 LYS CE C 42.60 0.2 1 39 . 5 LYS HE2 H 2.90 0.1 1 40 . 5 LYS HE3 H 2.90 0.1 1 41 . 6 ILE H H 9.18 0.1 1 42 . 6 ILE N N 128.66 0.2 1 43 . 6 ILE CA C 60.35 0.2 1 44 . 6 ILE HA H 4.90 0.1 1 45 . 6 ILE CB C 39.65 0.2 1 46 . 6 ILE HB H 1.85 0.1 1 47 . 6 ILE CG1 C 28.05 0.2 2 48 . 6 ILE CG2 C 28.05 0.2 2 49 . 6 ILE HG2 H 0.82 0.1 1 50 . 6 ILE HG12 H 1.70 0.1 1 51 . 6 ILE HG13 H 1.70 0.1 1 52 . 6 ILE CD1 C 17.65 0.2 1 53 . 7 GLU H H 9.30 0.1 1 54 . 7 GLU N N 126.36 0.2 1 55 . 7 GLU CA C 54.85 0.2 1 56 . 7 GLU HA H 4.90 0.1 1 57 . 7 GLU CB C 33.15 0.2 1 58 . 7 GLU HB2 H 1.65 0.1 1 59 . 7 GLU HB3 H 1.65 0.1 1 60 . 7 GLU CG C 37.95 0.2 1 61 . 7 GLU HG2 H 1.95 0.1 1 62 . 7 GLU HG3 H 1.95 0.1 1 63 . 8 LEU H H 8.48 0.1 1 64 . 8 LEU N N 125.09 0.2 1 65 . 8 LEU CA C 53.55 0.2 1 66 . 8 LEU HA H 5.20 0.1 1 67 . 8 LEU CB C 43.60 0.2 1 68 . 8 LEU HB2 H 1.95 0.1 1 69 . 8 LEU HB3 H 1.95 0.1 1 70 . 8 LEU CG C 25.75 0.2 1 71 . 8 LEU HG H 1.65 0.1 1 72 . 8 LEU HD1 H 1.13 0.1 1 73 . 8 LEU HD2 H 0.90 0.1 1 74 . 9 PHE H H 9.38 0.1 1 75 . 9 PHE N N 127.26 0.2 1 76 . 9 PHE CA C 57.85 0.2 1 77 . 9 PHE HA H 5.40 0.1 1 78 . 9 PHE CB C 40.35 0.2 1 79 . 9 PHE HB2 H 3.18 0.1 1 80 . 9 PHE HB3 H 2.80 0.1 1 81 . 9 PHE HD1 H 7.13 0.1 1 82 . 9 PHE HD2 H 7.13 0.1 1 83 . 10 THR H H 9.18 0.1 1 84 . 10 THR N N 112.54 0.2 1 85 . 10 THR CA C 59.90 0.2 1 86 . 10 THR HA H 4.25 0.1 1 87 . 10 THR CB C 72.50 0.2 1 88 . 10 THR HB H 4.90 0.1 1 89 . 10 THR CG2 C 20.60 0.2 1 90 . 10 THR HG2 H 1.10 0.1 1 91 . 11 SER H H 7.55 0.1 1 92 . 11 SER N N 113.45 0.2 1 93 . 11 SER CA C 56.75 0.2 1 94 . 11 SER HA H 5.10 0.1 1 95 . 11 SER CB C 65.25 0.2 1 96 . 11 SER HB2 H 3.90 0.1 1 97 . 11 SER HB3 H 3.80 0.1 1 98 . 12 PRO HA H 4.45 0.1 1 99 . 12 PRO HB2 H 2.30 0.1 1 100 . 12 PRO HB3 H 2.30 0.1 1 101 . 13 MET CA C 57.90 0.2 1 102 . 13 MET HA H 4.20 0.1 1 103 . 13 MET CB C 30.90 0.2 1 104 . 13 MET HB2 H 2.35 0.1 1 105 . 13 MET HB3 H 2.35 0.1 1 106 . 13 MET HG2 H 1.95 0.1 1 107 . 13 MET HG3 H 1.95 0.1 1 108 . 13 MET HE H 2.15 0.1 1 109 . 16 HIS CA C 54.75 0.2 1 110 . 16 HIS CB C 31.00 0.2 1 111 . 17 CYS H H 8.30 0.1 1 112 . 17 CYS N N 120.09 0.2 1 113 . 17 CYS CA C 68.20 0.2 1 114 . 17 CYS HA H 4.60 0.1 1 115 . 17 CYS CB C 34.00 0.2 1 116 . 17 CYS HB2 H 3.05 0.1 1 117 . 17 CYS HB3 H 3.05 0.1 1 118 . 18 PRO CA C 67.00 0.2 1 119 . 18 PRO HA H 4.10 0.1 1 120 . 18 PRO CB C 30.90 0.2 1 121 . 18 PRO HB2 H 2.50 0.1 1 122 . 18 PRO HB3 H 2.50 0.1 1 123 . 18 PRO CG C 28.75 0.2 1 124 . 18 PRO CD C 50.90 0.2 1 125 . 19 ALA H H 7.82 0.1 1 126 . 19 ALA N N 119.41 0.2 1 127 . 19 ALA CA C 55.35 0.2 1 128 . 19 ALA HA H 4.45 0.1 1 129 . 19 ALA CB C 18.45 0.2 1 130 . 19 ALA HB H 1.50 0.1 1 131 . 20 ALA H H 7.83 0.1 1 132 . 20 ALA N N 119.23 0.2 1 133 . 20 ALA CA C 55.00 0.2 1 134 . 20 ALA HA H 3.90 0.1 1 135 . 20 ALA CB C 18.90 0.2 1 136 . 20 ALA HB H 1.50 0.1 1 137 . 21 LYS H H 8.40 0.1 1 138 . 21 LYS N N 116.84 0.2 1 139 . 21 LYS CA C 60.25 0.2 1 140 . 21 LYS HA H 3.77 0.1 1 141 . 21 LYS CB C 32.70 0.2 1 142 . 21 LYS HB2 H 1.95 0.1 1 143 . 21 LYS HB3 H 1.95 0.1 1 144 . 21 LYS CG C 25.40 0.2 1 145 . 21 LYS HG2 H 1.30 0.1 1 146 . 21 LYS HG3 H 1.30 0.1 1 147 . 21 LYS CD C 29.95 0.2 1 148 . 21 LYS HD2 H 1.70 0.1 1 149 . 21 LYS HD3 H 1.70 0.1 1 150 . 21 LYS CE C 42.05 0.2 1 151 . 21 LYS HE2 H 2.50 0.1 1 152 . 21 LYS HE3 H 2.50 0.1 1 153 . 22 ARG H H 7.93 0.1 1 154 . 22 ARG N N 116.27 0.2 1 155 . 22 ARG CA C 59.80 0.2 1 156 . 22 ARG HA H 4.15 0.1 1 157 . 22 ARG CB C 30.20 0.2 1 158 . 22 ARG HB2 H 1.95 0.1 1 159 . 22 ARG HB3 H 1.95 0.1 1 160 . 22 ARG CG C 27.45 0.2 1 161 . 22 ARG HG2 H 1.75 0.1 1 162 . 22 ARG HG3 H 1.75 0.1 1 163 . 22 ARG CD C 43.75 0.2 1 164 . 22 ARG HD2 H 2.00 0.1 1 165 . 22 ARG HD3 H 2.00 0.1 1 166 . 23 VAL H H 7.42 0.1 1 167 . 23 VAL N N 116.46 0.2 1 168 . 23 VAL CA C 66.15 0.2 1 169 . 23 VAL HA H 4.00 0.1 1 170 . 23 VAL CB C 32.00 0.2 1 171 . 23 VAL HB H 2.07 0.1 1 172 . 23 VAL CG1 C 21.55 0.2 1 173 . 23 VAL CG2 C 21.55 0.2 1 174 . 23 VAL HG1 H 1.00 0.1 1 175 . 23 VAL HG2 H 1.00 0.1 1 176 . 24 VAL H H 7.75 0.1 1 177 . 24 VAL N N 120.58 0.2 1 178 . 24 VAL CA C 67.35 0.2 1 179 . 24 VAL HA H 3.50 0.1 1 180 . 24 VAL CB C 31.35 0.2 1 181 . 24 VAL HB H 2.30 0.1 1 182 . 24 VAL CG1 C 23.10 0.2 1 183 . 24 VAL CG2 C 23.10 0.2 1 184 . 24 VAL HG1 H 1.00 0.1 1 185 . 24 VAL HG2 H 1.00 0.1 1 186 . 25 GLU H H 8.64 0.1 1 187 . 25 GLU N N 118.38 0.2 1 188 . 25 GLU CA C 60.05 0.2 1 189 . 25 GLU HA H 3.95 0.1 1 190 . 25 GLU CB C 29.95 0.2 1 191 . 25 GLU HB2 H 2.30 0.1 1 192 . 25 GLU HB3 H 2.30 0.1 1 193 . 25 GLU CG C 37.25 0.2 1 194 . 25 GLU HG2 H 2.50 0.1 1 195 . 25 GLU HG3 H 2.50 0.1 1 196 . 26 GLU H H 8.07 0.1 1 197 . 26 GLU N N 118.81 0.2 1 198 . 26 GLU CA C 60.25 0.2 1 199 . 26 GLU HA H 4.05 0.1 1 200 . 26 GLU CB C 30.05 0.2 1 201 . 26 GLU HB2 H 2.30 0.1 1 202 . 26 GLU HB3 H 2.30 0.1 1 203 . 26 GLU CG C 37.15 0.2 1 204 . 26 GLU HG2 H 2.55 0.1 1 205 . 26 GLU HG3 H 2.10 0.1 1 206 . 27 VAL H H 7.97 0.1 1 207 . 27 VAL N N 118.14 0.2 1 208 . 27 VAL CA C 67.10 0.2 1 209 . 27 VAL HA H 3.65 0.1 1 210 . 27 VAL CB C 31.50 0.2 1 211 . 27 VAL HB H 2.13 0.1 1 212 . 27 VAL CG1 C 22.15 0.2 1 213 . 27 VAL CG2 C 22.15 0.2 1 214 . 27 VAL HG1 H 1.05 0.1 1 215 . 27 VAL HG2 H 0.85 0.1 1 216 . 28 ALA H H 8.66 0.1 1 217 . 28 ALA N N 121.40 0.2 1 218 . 28 ALA CA C 55.45 0.2 1 219 . 28 ALA HA H 3.80 0.1 1 220 . 28 ALA CB C 18.10 0.2 1 221 . 28 ALA HB H 1.40 0.1 1 222 . 29 ASN H H 7.85 0.1 1 223 . 29 ASN N N 113.39 0.2 1 224 . 29 ASN CA C 55.25 0.2 1 225 . 29 ASN HA H 4.55 0.1 1 226 . 29 ASN CB C 39.30 0.2 1 227 . 29 ASN HB2 H 2.95 0.1 1 228 . 29 ASN HB3 H 2.85 0.1 1 229 . 30 GLU H H 7.81 0.1 1 230 . 30 GLU N N 118.51 0.2 1 231 . 30 GLU CA C 58.00 0.2 1 232 . 30 GLU HA H 4.35 0.1 1 233 . 30 GLU CB C 31.05 0.2 1 234 . 30 GLU HB2 H 2.35 0.1 1 235 . 30 GLU HB3 H 2.35 0.1 1 236 . 30 GLU CG C 36.90 0.2 1 237 . 30 GLU HG2 H 2.55 0.1 1 238 . 30 GLU HG3 H 2.20 0.1 1 239 . 31 MET H H 7.75 0.1 1 240 . 31 MET N N 117.05 0.2 1 241 . 31 MET CA C 54.10 0.2 1 242 . 31 MET HA H 5.05 0.1 1 243 . 31 MET CB C 34.55 0.2 1 244 . 31 MET HB2 H 2.05 0.1 1 245 . 31 MET HB3 H 2.05 0.1 1 246 . 31 MET HG2 H 2.20 0.1 1 247 . 31 MET HG3 H 2.20 0.1 1 248 . 31 MET HE H 2.60 0.1 1 249 . 32 PRO CA C 65.55 0.2 1 250 . 32 PRO HA H 4.65 0.1 1 251 . 32 PRO CB C 31.75 0.2 1 252 . 32 PRO HB2 H 2.40 0.1 1 253 . 32 PRO HB3 H 2.40 0.1 1 254 . 32 PRO CG C 27.45 0.2 1 255 . 32 PRO HG2 H 2.05 0.1 1 256 . 32 PRO HG3 H 2.05 0.1 1 257 . 32 PRO CD C 50.45 0.2 1 258 . 33 ASP H H 8.43 0.1 1 259 . 33 ASP N N 114.50 0.2 1 260 . 33 ASP CA C 54.50 0.2 1 261 . 33 ASP HA H 4.60 0.1 1 262 . 33 ASP CB C 41.00 0.2 1 263 . 33 ASP HB2 H 2.75 0.1 1 264 . 33 ASP HB3 H 2.75 0.1 1 265 . 34 ALA H H 7.68 0.1 1 266 . 34 ALA N N 119.93 0.2 1 267 . 34 ALA CA C 53.10 0.2 1 268 . 34 ALA HA H 4.70 0.1 1 269 . 34 ALA CB C 22.65 0.2 1 270 . 34 ALA HB H 1.50 0.1 1 271 . 35 VAL H H 7.37 0.1 1 272 . 35 VAL N N 112.33 0.2 1 273 . 35 VAL CA C 60.15 0.2 1 274 . 35 VAL HA H 5.30 0.1 1 275 . 35 VAL CB C 35.95 0.2 1 276 . 35 VAL HB H 2.00 0.1 1 277 . 35 VAL CG1 C 21.80 0.2 1 278 . 35 VAL CG2 C 21.80 0.2 1 279 . 35 VAL HG1 H 0.90 0.1 1 280 . 35 VAL HG2 H 0.90 0.1 1 281 . 36 GLU H H 8.75 0.1 1 282 . 36 GLU N N 124.27 0.2 1 283 . 36 GLU CA C 55.10 0.2 1 284 . 36 GLU HA H 4.70 0.1 1 285 . 36 GLU CB C 33.55 0.2 1 286 . 36 GLU HB2 H 1.95 0.1 1 287 . 36 GLU HB3 H 1.95 0.1 1 288 . 36 GLU CG C 36.40 0.2 1 289 . 37 VAL H H 8.53 0.1 1 290 . 37 VAL N N 121.83 0.2 1 291 . 37 VAL CA C 60.75 0.2 1 292 . 37 VAL HA H 5.05 0.1 1 293 . 37 VAL CB C 64.65 0.2 1 294 . 37 VAL HB H 1.65 0.1 1 295 . 37 VAL CG1 C 21.45 0.2 1 296 . 37 VAL CG2 C 21.45 0.2 1 297 . 37 VAL HG1 H 0.65 0.1 1 298 . 37 VAL HG2 H 0.35 0.1 1 299 . 38 GLU H H 8.60 0.1 1 300 . 38 GLU N N 126.59 0.2 1 301 . 38 GLU CA C 55.25 0.2 1 302 . 38 GLU HA H 4.47 0.1 1 303 . 38 GLU CB C 31.15 0.2 1 304 . 38 GLU HB2 H 1.77 0.1 1 305 . 38 GLU HB3 H 1.77 0.1 1 306 . 38 GLU CG C 36.40 0.2 1 307 . 38 GLU HG2 H 2.10 0.1 1 308 . 38 GLU HG3 H 2.10 0.1 1 309 . 39 TYR H H 8.61 0.1 1 310 . 39 TYR N N 123.93 0.2 1 311 . 39 TYR CA C 57.05 0.2 1 312 . 39 TYR HA H 4.90 0.1 1 313 . 39 TYR CB C 39.05 0.2 1 314 . 39 TYR HB2 H 2.90 0.1 1 315 . 39 TYR HB3 H 2.90 0.1 1 316 . 39 TYR CD1 C 131.05 0.2 1 317 . 39 TYR CD2 C 131.05 0.2 1 318 . 39 TYR CE1 C 116.70 0.2 1 319 . 39 TYR CE2 C 116.70 0.2 1 320 . 39 TYR HD1 H 7.00 0.1 1 321 . 39 TYR HD2 H 7.00 0.1 1 322 . 39 TYR HE1 H 6.58 0.1 1 323 . 39 TYR HE2 H 6.58 0.1 1 324 . 40 ILE H H 8.93 0.1 1 325 . 40 ILE N N 125.19 0.2 1 326 . 40 ILE CA C 61.85 0.2 1 327 . 40 ILE HA H 4.20 0.1 1 328 . 40 ILE CB C 40.25 0.2 1 329 . 40 ILE HB H 1.00 0.1 1 330 . 40 ILE CG1 C 28.25 0.2 1 331 . 40 ILE HG12 H 0.75 0.1 1 332 . 40 ILE HG13 H 0.75 0.1 1 333 . 40 ILE CD1 C 19.90 0.2 1 334 . 40 ILE HD1 H 0.25 0.1 1 335 . 41 ASN H H 8.83 0.1 1 336 . 41 ASN N N 126.18 0.2 1 337 . 41 ASN CA C 51.10 0.2 1 338 . 41 ASN HA H 4.99 0.1 1 339 . 41 ASN CB C 38.45 0.2 1 340 . 41 ASN HB2 H 3.10 0.1 1 341 . 41 ASN HB3 H 2.85 0.1 1 342 . 42 VAL H H 9.29 0.1 1 343 . 42 VAL N N 122.97 0.2 1 344 . 42 VAL CA C 65.40 0.2 1 345 . 42 VAL HA H 3.85 0.1 1 346 . 42 VAL HB H 31.75 0.2 1 347 . 42 VAL CG1 C 23.00 0.1 1 348 . 42 VAL CG2 C 20.00 0.1 1 349 . 43 MET H H 8.24 0.1 1 350 . 43 MET N N 115.85 0.2 1 351 . 43 MET CA C 57.15 0.2 1 352 . 43 MET HA H 4.40 0.1 1 353 . 43 MET CB C 33.30 0.2 1 354 . 43 MET HB2 H 2.10 0.1 1 355 . 43 MET HB3 H 2.10 0.1 1 356 . 43 MET HE H 2.65 0.1 1 357 . 44 GLU H H 7.20 0.1 1 358 . 44 GLU N N 116.74 0.2 1 359 . 44 GLU CA C 56.90 0.2 1 360 . 44 GLU HA H 4.40 0.1 1 361 . 44 GLU CB C 31.85 0.2 1 362 . 44 GLU HB2 H 2.00 0.1 1 363 . 44 GLU HB3 H 2.00 0.1 1 364 . 44 GLU CG C 36.75 0.2 1 365 . 44 GLU HG2 H 2.30 0.1 1 366 . 44 GLU HG3 H 2.30 0.1 1 367 . 45 ASN H H 7.73 0.1 1 368 . 45 ASN N N 114.95 0.2 1 369 . 45 ASN CA C 50.70 0.2 1 370 . 45 ASN HA H 5.25 0.1 1 371 . 45 ASN CB C 39.50 0.2 1 372 . 45 ASN HB2 H 3.05 0.1 1 373 . 45 ASN HB3 H 3.05 0.1 1 374 . 46 PRO CA C 65.05 0.2 1 375 . 46 PRO HA H 4.55 0.1 1 376 . 46 PRO CB C 31.75 0.2 1 377 . 46 PRO HB2 H 2.10 0.1 1 378 . 46 PRO HB3 H 2.10 0.1 1 379 . 46 PRO CG C 27.30 0.2 1 380 . 46 PRO HG2 H 2.50 0.1 1 381 . 46 PRO HG3 H 2.50 0.1 1 382 . 46 PRO CD C 50.55 0.2 1 383 . 47 GLN H H 8.58 0.1 1 384 . 47 GLN N N 119.06 0.2 1 385 . 47 GLN CA C 60.00 0.2 1 386 . 47 GLN HA H 4.45 0.1 1 387 . 47 GLN CB C 34.15 0.2 1 388 . 47 GLN HB2 H 2.20 0.1 1 389 . 47 GLN HB3 H 2.20 0.1 1 390 . 47 GLN HG2 H 2.50 0.1 1 391 . 47 GLN HG3 H 2.50 0.1 1 392 . 48 LYS H H 7.61 0.1 1 393 . 48 LYS N N 119.50 0.2 1 394 . 48 LYS CA C 58.60 0.2 1 395 . 48 LYS HA H 4.15 0.1 1 396 . 48 LYS CB C 32.60 0.2 1 397 . 48 LYS HB2 H 1.90 0.1 1 398 . 48 LYS HB3 H 1.90 0.1 1 399 . 48 LYS CG C 25.75 0.2 1 400 . 48 LYS HG2 H 1.60 0.1 1 401 . 48 LYS HG3 H 1.60 0.1 1 402 . 48 LYS CD C 29.00 0.2 1 403 . 48 LYS HD2 H 1.60 0.1 1 404 . 48 LYS HD3 H 1.60 0.1 1 405 . 48 LYS CE C 42.30 0.2 1 406 . 48 LYS HE2 H 2.95 0.1 1 407 . 48 LYS HE3 H 2.95 0.1 1 408 . 49 ALA H H 7.21 0.1 1 409 . 49 ALA N N 117.81 0.2 1 410 . 49 ALA CA C 55.00 0.2 1 411 . 49 ALA HA H 3.90 0.1 1 412 . 49 ALA CB C 18.20 0.2 1 413 . 49 ALA HB H 1.53 0.1 1 414 . 50 MET H H 8.09 0.1 1 415 . 50 MET N N 117.12 0.2 1 416 . 50 MET CA C 58.60 0.2 1 417 . 50 MET HA H 4.25 0.1 1 418 . 50 MET CB C 32.45 0.2 1 419 . 50 MET HB2 H 2.25 0.1 1 420 . 50 MET HB3 H 2.25 0.1 1 421 . 50 MET HE H 2.70 0.1 1 422 . 51 GLU H H 7.88 0.1 1 423 . 51 GLU N N 120.57 0.2 1 424 . 51 GLU CA C 59.80 0.2 1 425 . 51 GLU HA H 4.00 0.1 1 426 . 51 GLU CB C 29.95 0.2 1 427 . 51 GLU HB2 H 2.10 0.1 1 428 . 51 GLU HB3 H 2.10 0.1 1 429 . 51 GLU CG C 36.40 0.2 1 430 . 51 GLU HG2 H 2.35 0.1 1 431 . 51 GLU HG3 H 2.35 0.1 1 432 . 52 TYR H H 7.12 0.1 1 433 . 52 TYR N N 113.67 0.2 1 434 . 52 TYR CA C 56.65 0.2 1 435 . 52 TYR HA H 4.75 0.1 1 436 . 52 TYR CB C 40.00 0.2 1 437 . 52 TYR HB2 H 3.05 0.1 1 438 . 52 TYR HB3 H 2.55 0.1 1 439 . 52 TYR CD1 C 132.05 0.2 1 440 . 52 TYR CD2 C 132.05 0.2 1 441 . 52 TYR CE1 C 118.70 0.2 1 442 . 52 TYR CE2 C 118.70 0.2 1 443 . 52 TYR HD1 H 7.04 0.1 1 444 . 52 TYR HD2 H 7.04 0.1 1 445 . 52 TYR HE1 H 6.92 0.1 1 446 . 52 TYR HE2 H 6.92 0.1 1 447 . 53 GLY H H 7.77 0.1 1 448 . 53 GLY N N 109.08 0.2 1 449 . 53 GLY CA C 46.44 0.2 1 450 . 53 GLY HA2 H 3.95 0.1 1 451 . 53 GLY HA3 H 3.80 0.1 1 452 . 54 ILE H H 7.75 0.1 1 453 . 54 ILE N N 118.50 0.2 1 454 . 54 ILE CA C 60.75 0.2 1 455 . 54 ILE HA H 3.90 0.1 1 456 . 54 ILE CB C 36.41 0.2 1 457 . 54 ILE HB H 1.70 0.1 1 458 . 54 ILE CG1 C 27.05 0.2 1 459 . 54 ILE CG2 C 17.25 0.2 1 460 . 54 ILE HG12 H 0.70 0.1 1 461 . 54 ILE HG13 H 0.70 0.1 1 462 . 55 MET H H 8.42 0.1 1 463 . 55 MET N N 125.96 0.2 1 464 . 55 MET CA C 55.10 0.2 1 465 . 55 MET HA H 4.45 0.1 1 466 . 55 MET CB C 32.10 0.2 1 467 . 55 MET HB2 H 2.15 0.1 1 468 . 55 MET HB3 H 2.15 0.1 1 469 . 55 MET HG2 H 2.00 0.1 1 470 . 55 MET HG3 H 2.00 0.1 1 471 . 55 MET HE H 2.55 0.1 1 472 . 56 ALA H H 7.81 0.1 1 473 . 56 ALA N N 122.69 0.2 1 474 . 56 ALA CA C 51.50 0.2 1 475 . 56 ALA HA H 4.65 0.1 1 476 . 56 ALA CB C 22.15 0.2 1 477 . 56 ALA HB H 1.30 0.1 1 478 . 57 VAL H H 8.30 0.1 1 479 . 57 VAL N N 110.06 0.2 1 480 . 57 VAL CA C 58.20 0.2 1 481 . 57 VAL HA H 4.75 0.1 1 482 . 57 VAL CB C 34.65 0.2 1 483 . 58 PRO CA C 62.55 0.2 1 484 . 58 PRO HA H 5.40 0.1 1 485 . 58 PRO CB C 34.60 0.2 1 486 . 58 PRO HB2 H 1.90 0.1 1 487 . 58 PRO HB3 H 1.90 0.1 1 488 . 58 PRO CG C 24.20 0.2 1 489 . 58 PRO HG2 H 1.50 0.1 1 490 . 58 PRO HG3 H 1.50 0.1 1 491 . 58 PRO CD C 50.80 0.2 1 492 . 59 THR H H 8.20 0.1 1 493 . 59 THR N N 115.93 0.2 1 494 . 59 THR CA C 63.50 0.2 1 495 . 59 THR HA H 5.40 0.1 1 496 . 59 THR CB C 73.35 0.2 1 497 . 59 THR HB H 3.95 0.1 1 498 . 59 THR CG2 C 23.50 0.2 1 499 . 59 THR HG2 H 1.25 0.1 1 500 . 60 ILE H H 9.63 0.2 1 501 . 60 ILE N N 126.84 0.2 1 502 . 60 ILE CA C 61.70 0.2 1 503 . 60 ILE HA H 5.00 0.1 1 504 . 60 ILE CB C 40.50 0.2 1 505 . 60 ILE HB H 2.15 0.1 1 506 . 60 ILE CG1 C 29.95 0.2 1 507 . 60 ILE HG12 H 1.80 0.1 1 508 . 60 ILE HG13 H 1.80 0.1 1 509 . 60 ILE CG2 C 18.45 0.2 1 510 . 60 ILE HG2 H 1.00 0.1 1 511 . 61 VAL H H 9.30 0.1 1 512 . 61 VAL N N 131.68 0.2 1 513 . 61 VAL CA C 61.10 0.2 1 514 . 61 VAL HA H 4.80 0.1 1 515 . 61 VAL CB C 33.40 0.2 1 516 . 61 VAL HB H 2.25 0.1 1 517 . 61 VAL CG1 C 23.25 0.2 1 518 . 61 VAL CG2 C 20.70 0.2 1 519 . 61 VAL HG1 H 0.75 0.1 1 520 . 61 VAL HG2 H 0.48 0.1 1 521 . 62 ILE H H 9.10 0.1 1 522 . 62 ILE N N 126.00 0.2 1 523 . 62 ILE CA C 60.50 0.2 1 524 . 62 ILE HA H 4.95 0.1 1 525 . 62 ILE CB C 39.90 0.2 1 526 . 62 ILE HB H 1.75 0.1 1 527 . 62 ILE CG1 C 27.80 0.2 1 528 . 62 ILE CG2 C 17.95 0.2 1 529 . 62 ILE HG12 H 0.95 0.1 1 530 . 62 ILE HG13 H 0.95 0.1 1 531 . 62 ILE HG2 H 0.70 0.1 1 532 . 63 ASN H H 9.48 0.1 1 533 . 63 ASN N N 127.48 0.2 1 534 . 63 ASN CA C 53.90 0.2 1 535 . 63 ASN HA H 4.50 0.1 1 536 . 63 ASN CB C 37.50 0.2 1 537 . 63 ASN HB2 H 3.45 0.1 1 538 . 63 ASN HB3 H 2.80 0.1 1 539 . 64 GLY H H 8.65 0.2 1 540 . 64 GLY N N 128.71 0.1 1 541 . 64 GLY CA C 45.90 0.2 1 542 . 64 GLY HA2 H 4.30 0.1 1 543 . 64 GLY HA3 H 3.60 0.1 1 544 . 65 ASP H H 7.78 0.1 1 545 . 65 ASP N N 120.20 0.2 1 546 . 65 ASP CA C 53.10 0.2 1 547 . 65 ASP HA H 4.95 0.1 1 548 . 65 ASP CB C 42.30 0.2 1 549 . 65 ASP HB2 H 3.45 0.1 1 550 . 65 ASP HB3 H 2.80 0.1 1 551 . 66 VAL H H 8.96 0.1 1 552 . 66 VAL N N 125.21 0.2 1 553 . 66 VAL CA C 65.40 0.2 1 554 . 66 VAL HA H 4.45 0.1 1 555 . 66 VAL CB C 30.80 0.2 1 556 . 66 VAL HB H 3.60 0.1 1 557 . 66 VAL CG1 C 21.30 0.2 1 558 . 66 VAL CG2 C 21.30 0.2 1 559 . 66 VAL HG1 H 0.90 0.1 1 560 . 66 VAL HG2 H 0.75 0.1 1 561 . 67 GLU H H 8.29 0.1 1 562 . 67 GLU N N 130.11 0.2 1 563 . 67 GLU CA C 57.40 0.2 1 564 . 67 GLU HA H 4.50 0.1 1 565 . 67 GLU CB C 33.75 0.2 1 566 . 67 GLU HB2 H 1.55 0.1 1 567 . 67 GLU HB3 H 1.55 0.1 1 568 . 67 GLU CG C 35.55 0.2 1 569 . 67 GLU HG2 H 1.80 0.1 1 570 . 67 GLU HG3 H 1.80 0.1 1 571 . 68 PHE H H 7.53 0.1 1 572 . 68 PHE N N 111.76 0.2 1 573 . 68 PHE CA C 57.20 0.2 1 574 . 68 PHE HA H 5.10 0.1 1 575 . 68 PHE CB C 43.25 0.2 1 576 . 68 PHE HB2 H 3.17 0.1 1 577 . 68 PHE HB3 H 2.75 0.1 1 578 . 68 PHE HE1 H 7.16 0.1 1 579 . 68 PHE HE2 H 7.16 0.1 1 580 . 69 ILE H H 8.67 0.1 1 581 . 69 ILE N N 124.72 0.2 1 582 . 69 ILE CA C 62.20 0.2 1 583 . 69 ILE HA H 4.70 0.1 1 584 . 69 ILE CB C 38.80 0.2 1 585 . 69 ILE HB H 1.75 0.1 1 586 . 69 ILE CG1 C 27.55 0.2 1 587 . 69 ILE CG2 C 18.05 0.2 1 588 . 69 ILE HG12 H 1.45 0.1 1 589 . 69 ILE HG13 H 1.45 0.1 1 590 . 69 ILE HG2 H 1.15 0.1 1 591 . 69 ILE HD1 H 0.80 0.1 1 592 . 70 GLY H H 8.14 0.1 1 593 . 70 GLY N N 113.90 0.2 1 594 . 70 GLY CA C 44.10 0.2 1 595 . 70 GLY HA2 H 3.50 0.1 1 596 . 70 GLY HA3 H 3.50 0.1 1 597 . 71 ALA H H 8.31 0.1 1 598 . 71 ALA N N 120.14 0.2 1 599 . 71 ALA CA C 49.45 0.2 1 600 . 71 ALA HA H 4.45 0.1 1 601 . 71 ALA CB C 18.30 0.2 1 602 . 71 ALA HB H 1.30 0.1 1 603 . 72 PRO CA C 61.70 0.2 1 604 . 72 PRO HA H 4.70 0.1 1 605 . 72 PRO CB C 31.50 0.2 1 606 . 72 PRO HB2 H 1.50 0.1 1 607 . 72 PRO HB3 H 1.50 0.1 1 608 . 72 PRO CG C 26.25 0.2 1 609 . 72 PRO HG2 H 1.05 0.1 1 610 . 72 PRO HG3 H 1.05 0.1 1 611 . 72 PRO CD C 49.85 0.2 1 612 . 72 PRO HD2 H 3.80 0.1 1 613 . 72 PRO HD3 H 3.35 0.1 1 614 . 73 THR H H 7.67 0.1 1 615 . 73 THR N N 107.37 0.2 1 616 . 73 THR CA C 61.15 0.2 1 617 . 73 THR HA H 4.35 0.1 1 618 . 73 THR CB C 70.95 0.2 1 619 . 73 THR HB H 4.65 0.1 1 620 . 73 THR CG2 C 22.40 0.2 1 621 . 73 THR HG2 H 1.35 0.1 1 622 . 74 LYS H H 8.89 0.1 1 623 . 74 LYS N N 122.21 0.2 1 624 . 74 LYS CA C 60.85 0.2 1 625 . 74 LYS HA H 3.60 0.1 1 626 . 74 LYS CB C 32.45 0.2 1 627 . 74 LYS HB2 H 1.80 0.1 1 628 . 74 LYS HB3 H 1.80 0.1 1 629 . 74 LYS CG C 25.40 0.2 1 630 . 74 LYS HG2 H 1.30 0.1 1 631 . 74 LYS HG3 H 1.30 0.1 1 632 . 74 LYS CD C 29.80 0.2 1 633 . 74 LYS HD2 H 1.30 0.1 1 634 . 74 LYS HD3 H 1.30 0.1 1 635 . 74 LYS CE C 42.30 0.2 1 636 . 74 LYS HE2 H 2.90 0.1 1 637 . 74 LYS HE3 H 2.90 0.1 1 638 . 75 GLU H H 8.83 0.1 1 639 . 75 GLU N N 115.32 0.2 1 640 . 75 GLU CA C 60.75 0.2 1 641 . 75 GLU HA H 3.90 0.1 1 642 . 75 GLU CB C 29.10 0.2 1 643 . 75 GLU HB2 H 2.00 0.1 1 644 . 75 GLU HB3 H 2.00 0.1 1 645 . 75 GLU CG C 37.25 0.2 1 646 . 75 GLU HG2 H 2.35 0.1 1 647 . 75 GLU HG3 H 2.35 0.1 1 648 . 76 ALA H H 7.79 0.1 1 649 . 76 ALA N N 121.48 0.2 1 650 . 76 ALA CA C 55.00 0.2 1 651 . 76 ALA HA H 4.25 0.1 1 652 . 76 ALA CB C 18.90 0.2 1 653 . 76 ALA HB H 1.50 0.1 1 654 . 77 LEU H H 7.95 0.1 1 655 . 77 LEU N N 120.92 0.2 1 656 . 77 LEU CA C 58.50 0.2 1 657 . 77 LEU HA H 4.20 0.1 1 658 . 77 LEU CB C 41.55 0.2 1 659 . 77 LEU HB2 H 1.95 0.1 1 660 . 77 LEU HB3 H 1.95 0.1 1 661 . 77 LEU CG C 27.90 0.2 1 662 . 77 LEU HG H 1.65 0.1 2 663 . 77 LEU CD1 C 24.55 0.2 1 664 . 77 LEU CD2 C 24.55 0.2 1 665 . 77 LEU HD1 H 1.05 0.1 1 666 . 77 LEU HD2 H 0.85 0.1 1 667 . 78 VAL H H 8.76 0.1 1 668 . 78 VAL N N 118.64 0.2 1 669 . 78 VAL CA C 67.95 0.2 1 670 . 78 VAL HA H 3.50 0.1 1 671 . 78 VAL CB C 31.75 0.2 1 672 . 78 VAL HB H 2.15 0.1 1 673 . 78 VAL CG1 C 24.30 0.2 1 674 . 78 VAL CG2 C 24.30 0.2 1 675 . 78 VAL HG1 H 1.10 0.1 1 676 . 78 VAL HG2 H 1.00 0.1 1 677 . 79 GLU H H 8.01 0.1 1 678 . 79 GLU N N 118.19 0.2 1 679 . 79 GLU CA C 60.00 0.2 1 680 . 79 GLU HA H 4.02 0.1 1 681 . 79 GLU CB C 29.70 0.2 1 682 . 79 GLU HB2 H 2.15 0.1 1 683 . 79 GLU HB3 H 2.15 0.1 1 684 . 79 GLU CG C 36.35 0.2 1 685 . 79 GLU HG2 H 2.40 0.1 1 686 . 79 GLU HG3 H 2.40 0.1 1 687 . 80 ALA H H 7.67 0.1 1 688 . 80 ALA N N 119.77 0.2 1 689 . 80 ALA CA C 55.10 0.2 1 690 . 80 ALA HA H 4.20 0.1 1 691 . 80 ALA CB C 18.90 0.2 1 692 . 80 ALA HB H 1.70 0.1 1 693 . 81 ILE H H 7.99 0.1 1 694 . 81 ILE N N 118.28 0.2 1 695 . 81 ILE CA C 65.40 0.2 1 696 . 81 ILE HA H 3.65 0.1 1 697 . 81 ILE CB C 38.45 0.2 1 698 . 81 ILE HB H 2.00 0.1 1 699 . 81 ILE CG1 C 29.35 0.2 1 700 . 81 ILE CG2 C 17.45 0.2 1 701 . 81 ILE HG2 H 0.85 0.1 1 702 . 81 ILE CD1 C 15.80 0.2 1 703 . 82 LYS H H 8.65 0.1 1 704 . 82 LYS N N 117.69 0.2 1 705 . 82 LYS CA C 60.40 0.2 1 706 . 82 LYS HA H 3.90 0.1 1 707 . 82 LYS CB C 32.35 0.2 1 708 . 82 LYS HB2 H 1.95 0.1 1 709 . 82 LYS HB3 H 1.95 0.1 1 710 . 82 LYS CG C 26.35 0.2 1 711 . 82 LYS HG2 H 1.70 0.1 1 712 . 82 LYS HG3 H 1.70 0.1 1 713 . 82 LYS CD C 29.70 0.2 1 714 . 82 LYS HD2 H 1.40 0.1 1 715 . 82 LYS HD3 H 1.40 0.1 1 716 . 82 LYS CE C 42.05 0.2 1 717 . 82 LYS HE2 H 2.95 0.1 1 718 . 82 LYS HE3 H 2.95 0.1 1 719 . 83 LYS H H 7.50 0.1 1 720 . 83 LYS N N 115.63 0.2 1 721 . 83 LYS CA C 58.45 0.2 1 722 . 83 LYS HA H 4.25 0.1 1 723 . 83 LYS CB C 32.55 0.2 1 724 . 83 LYS HB2 H 2.00 0.1 1 725 . 83 LYS HB3 H 2.00 0.1 1 726 . 83 LYS CG C 25.25 0.2 1 727 . 83 LYS HG2 H 1.65 0.1 1 728 . 83 LYS HG3 H 1.65 0.1 1 729 . 83 LYS CD C 29.80 0.2 1 730 . 83 LYS HD2 H 1.65 0.1 1 731 . 83 LYS HD3 H 1.65 0.1 1 732 . 83 LYS CE C 46.95 0.2 1 733 . 83 LYS HE2 H 3.00 0.1 1 734 . 83 LYS HE3 H 3.00 0.1 1 735 . 84 ARG H H 7.76 0.1 1 736 . 84 ARG N N 117.77 0.2 1 737 . 84 ARG CA C 56.20 0.2 1 738 . 84 ARG HA H 4.45 0.1 1 739 . 84 ARG CB C 32.10 0.2 1 740 . 84 ARG HB2 H 2.20 0.1 1 741 . 84 ARG HB3 H 2.20 0.1 1 742 . 84 ARG CG C 29.20 0.2 1 743 . 84 ARG HG2 H 1.80 0.1 1 744 . 84 ARG HG3 H 1.80 0.1 1 745 . 84 ARG CD C 44.20 0.2 1 746 . 84 ARG HD2 H 3.15 0.1 1 747 . 84 ARG HD3 H 3.15 0.1 1 748 . 85 LEU H H 7.03 0.1 1 749 . 85 LEU N N 125.71 0.2 1 750 . 85 LEU CA C 57.00 0.2 1 751 . 85 LEU HA H 4.20 0.1 1 752 . 85 LEU CB C 43.00 0.2 1 753 . 85 LEU HB2 H 1.75 0.1 1 754 . 85 LEU HB3 H 1.75 0.1 1 755 . 85 LEU HG H 1.65 0.1 2 756 . 85 LEU HD1 H 0.90 0.1 1 757 . 85 LEU HD2 H 0.90 0.1 1 stop_ save_