data_5977 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR for Structural Proteomics of Thermotoga maritima: Screening and Sructure Determination ; _BMRB_accession_number 5977 _BMRB_flat_file_name bmr5977.str _Entry_type original _Submission_date 2003-10-17 _Accession_date 2003-10-17 _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 Peti Wolfgang . . 2 Etezady-Esfarjani Touraj . . 3 Herrmann Torsten . . 4 Klock Heath E. . 5 Lesley Scott A. . 6 Wuethrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 283 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-30 original author . stop_ _Original_release_date 2004-07-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR for Structural Proteomics of Thermotoga maritima: Screening and Sructure Determination ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15263836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peti Wolfgang . . 2 Etezady-Esfarjani Touraj . . 3 Herrmann Torsten . . 4 Klock Heath E. . 5 Lesley Scott A. . 6 Wuethrich Kurt . . stop_ _Journal_abbreviation 'J. Struct. Funct. Genomics' _Journal_volume 5 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 205 _Page_last 215 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_TM1492 _Saveframe_category molecular_system _Mol_system_name TM1492 _Abbreviation_common TM1492 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TM1492 monomer' $TM1492 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TM1492 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TM1492 _Abbreviation_common TM1492 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MKASELRNYTDEELKNLLEE KKRQLMELRFQLAMGQLKNT SLIKLTKRDIARIKTILRER ELGIRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ALA 4 SER 5 GLU 6 LEU 7 ARG 8 ASN 9 TYR 10 THR 11 ASP 12 GLU 13 GLU 14 LEU 15 LYS 16 ASN 17 LEU 18 LEU 19 GLU 20 GLU 21 LYS 22 LYS 23 ARG 24 GLN 25 LEU 26 MET 27 GLU 28 LEU 29 ARG 30 PHE 31 GLN 32 LEU 33 ALA 34 MET 35 GLY 36 GLN 37 LEU 38 LYS 39 ASN 40 THR 41 SER 42 LEU 43 ILE 44 LYS 45 LEU 46 THR 47 LYS 48 ARG 49 ASP 50 ILE 51 ALA 52 ARG 53 ILE 54 LYS 55 THR 56 ILE 57 LEU 58 ARG 59 GLU 60 ARG 61 GLU 62 LEU 63 GLY 64 ILE 65 ARG 66 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1R73 "Solution Structure Of Tm1492, The L29 Ribosomal Protein From Thermotoga Maritima" 100.00 66 100.00 100.00 1.70e-35 EMBL CAA79785 "ribosomal protein L29 [Thermotoga maritima]" 100.00 66 100.00 100.00 1.70e-35 GB AAD36558 "ribosomal protein L29 [Thermotoga maritima MSB8]" 100.00 66 100.00 100.00 1.70e-35 GB ABQ47314 "LSU ribosomal protein L29P [Thermotoga petrophila RKU-1]" 100.00 66 100.00 100.00 1.70e-35 GB ACB09730 "ribosomal protein L29 [Thermotoga sp. RQ2]" 100.00 66 100.00 100.00 1.70e-35 GB ACM23177 "50S ribosomal protein L29 [Thermotoga neapolitana DSM 4359]" 100.00 66 98.48 100.00 5.31e-35 GB ADA67402 "ribosomal protein L29 [Thermotoga naphthophila RKU-10]" 100.00 66 100.00 100.00 1.70e-35 REF NP_229292 "50S ribosomal protein L29 [Thermotoga maritima MSB8]" 100.00 66 100.00 100.00 1.70e-35 REF WP_004081820 "MULTISPECIES: 50S ribosomal protein L29 [Thermotoga]" 100.00 66 100.00 100.00 1.70e-35 REF WP_015919494 "50S ribosomal protein L29 [Thermotoga neapolitana]" 100.00 66 98.48 100.00 5.31e-35 REF YP_001244890 "50S ribosomal protein L29 [Thermotoga petrophila RKU-1]" 100.00 66 100.00 100.00 1.70e-35 REF YP_001739413 "50S ribosomal protein L29 [Thermotoga sp. RQ2]" 100.00 66 100.00 100.00 1.70e-35 SP A5IM91 "RecName: Full=50S ribosomal protein L29 [Thermotoga petrophila RKU-1]" 100.00 66 100.00 100.00 1.70e-35 SP B1LBN2 "RecName: Full=50S ribosomal protein L29 [Thermotoga sp. RQ2]" 100.00 66 100.00 100.00 1.70e-35 SP B9K894 "RecName: Full=50S ribosomal protein L29 [Thermotoga neapolitana DSM 4359]" 100.00 66 98.48 100.00 5.31e-35 SP P38514 "RecName: Full=50S ribosomal protein L29 [Thermotoga maritima MSB8]" 100.00 66 100.00 100.00 1.70e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TM1492 'Thermotoga maritima' 2336 Eubacteria . Thermotoga maritima 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 $TM1492 '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 $TM1492 3.6 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HBHACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_CCCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N_resolved_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N resolved NOESY' _Sample_label . save_ save_15N_resolved_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N resolved TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N resolved TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_TM1492-cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.0 0.2 na temperature 313 0.2 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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_TM1492chemshift1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCACB CBCACONH HBHACONH CCCONH HCCH-TOCSY '15N resolved NOESY' '15N resolved TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $TM1492-cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TM1492 monomer' _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 ALA CA C 54.624 0.2 1 2 . 3 ALA HA H 4.175 0.002 1 3 . 3 ALA HB H 1.540 0.015 1 4 . 3 ALA CB C 18.465 0.2 1 5 . 4 SER CA C 59.823 0.2 1 6 . 4 SER HA H 4.257 0.007 1 7 . 4 SER CB C 62.895 0.2 1 8 . 4 SER HB2 H 3.958 0.005 1 9 . 4 SER HB3 H 3.994 0.021 1 10 . 4 SER C C 175.758 0.2 1 11 . 5 GLU N N 121.737 0.1 1 12 . 5 GLU H H 7.613 0.015 1 13 . 5 GLU CA C 57.223 0.2 1 14 . 5 GLU HA H 4.366 0.003 1 15 . 5 GLU CB C 30.045 0.2 1 16 . 5 GLU HB2 H 2.198 0.002 1 17 . 5 GLU HB3 H 2.198 0.002 1 18 . 5 GLU CG C 36.663 0.2 1 19 . 5 GLU HG2 H 2.345 0.002 1 20 . 5 GLU HG3 H 2.404 0.002 1 21 . 5 GLU C C 177.943 0.2 1 22 . 6 LEU N N 120.607 0.1 1 23 . 6 LEU H H 7.834 0.015 1 24 . 6 LEU CA C 56.987 0.2 1 25 . 6 LEU HA H 3.992 0.002 1 26 . 6 LEU CB C 42.571 0.2 1 27 . 6 LEU HB2 H 1.384 0.003 1 28 . 6 LEU HB3 H 1.819 0.001 1 29 . 6 LEU CG C 26.737 0.2 1 30 . 6 LEU HG H 1.701 0.007 1 31 . 6 LEU HD1 H 0.681 0.003 1 32 . 6 LEU HD2 H 0.801 0.001 1 33 . 6 LEU CD1 C 22.719 0.2 1 34 . 6 LEU CD2 C 26.028 0.2 1 35 . 6 LEU C C 178.240 0.2 1 36 . 7 ARG N N 113.965 0.1 1 37 . 7 ARG H H 7.824 0.015 1 38 . 7 ARG CA C 58.641 0.2 1 39 . 7 ARG HA H 4.086 0.002 1 40 . 7 ARG CB C 29.809 0.2 1 41 . 7 ARG HB2 H 1.883 0.003 1 42 . 7 ARG HB3 H 1.977 0.001 1 43 . 7 ARG CG C 28.627 0.2 1 44 . 7 ARG HG2 H 1.719 0.008 1 45 . 7 ARG HG3 H 1.719 0.008 1 46 . 7 ARG CD C 43.516 0.2 1 47 . 7 ARG HD2 H 3.271 0.005 1 48 . 7 ARG HD3 H 3.271 0.005 1 49 . 7 ARG C C 176.385 0.2 1 50 . 8 ASN N N 114.884 0.1 1 51 . 8 ASN H H 7.698 0.015 1 52 . 8 ASN CA C 53.442 0.2 1 53 . 8 ASN HA H 4.832 0.003 1 54 . 8 ASN CB C 38.553 0.2 1 55 . 8 ASN HB2 H 2.776 0.015 1 56 . 8 ASN HB3 H 3.017 0.015 1 57 . 8 ASN C C 175.679 0.2 1 58 . 9 TYR N N 121.022 0.1 1 59 . 9 TYR H H 7.722 0.015 1 60 . 9 TYR CA C 57.223 0.2 1 61 . 9 TYR HA H 4.929 0.003 1 62 . 9 TYR CB C 38.790 0.2 1 63 . 9 TYR HB2 H 3.310 0.015 1 64 . 9 TYR HB3 H 3.310 0.015 1 65 . 9 TYR HD1 H 7.283 0.015 1 66 . 9 TYR HE1 H 6.858 0.015 1 67 . 9 TYR CD1 C 129.587 0.2 1 68 . 9 TYR CE2 C 115.719 0.2 1 69 . 9 TYR C C 177.823 0.2 1 70 . 10 THR N N 114.404 0.1 1 71 . 10 THR H H 9.513 0.015 1 72 . 10 THR CA C 61.241 0.2 1 73 . 10 THR HA H 4.730 0.002 1 74 . 10 THR CB C 71.166 0.2 1 75 . 10 THR HB H 4.924 0.015 1 76 . 10 THR HG2 H 1.513 0.015 1 77 . 10 THR CG2 C 21.774 0.2 1 78 . 10 THR C C 175.378 0.2 1 79 . 11 ASP N N 121.790 0.1 1 80 . 11 ASP H H 9.011 0.015 1 81 . 11 ASP CA C 58.641 0.2 1 82 . 11 ASP HA H 4.232 0.003 1 83 . 11 ASP CB C 39.735 0.2 1 84 . 11 ASP HB2 H 2.689 0.018 1 85 . 11 ASP HB3 H 2.811 0.001 1 86 . 11 ASP C C 178.332 0.2 1 87 . 12 GLU N N 118.101 0.1 1 88 . 12 GLU H H 8.564 0.015 1 89 . 12 GLU CA C 60.059 0.2 1 90 . 12 GLU HA H 4.039 0.002 1 91 . 12 GLU CB C 29.573 0.2 1 92 . 12 GLU HB2 H 2.049 0.015 1 93 . 12 GLU HB3 H 2.158 0.001 1 94 . 12 GLU CG C 36.426 0.2 1 95 . 12 GLU HG2 H 2.415 0.005 1 96 . 12 GLU HG3 H 2.415 0.005 1 97 . 12 GLU C C 179.200 0.2 1 98 . 13 GLU N N 119.545 0.1 1 99 . 13 GLU H H 7.857 0.015 1 100 . 13 GLU CA C 59.114 0.2 1 101 . 13 GLU HA H 4.131 0.002 1 102 . 13 GLU CB C 30.045 0.2 1 103 . 13 GLU HB2 H 1.974 0.002 1 104 . 13 GLU HB3 H 2.553 0.007 1 105 . 13 GLU CG C 37.608 0.2 1 106 . 13 GLU HG2 H 2.338 0.002 1 107 . 13 GLU HG3 H 2.482 0.001 1 108 . 13 GLU C C 180.796 0.2 1 109 . 14 LEU N N 120.715 0.1 1 110 . 14 LEU H H 8.681 0.015 1 111 . 14 LEU CA C 58.168 0.2 1 112 . 14 LEU HA H 4.162 0.002 1 113 . 14 LEU CB C 42.334 0.2 1 114 . 14 LEU HB2 H 1.428 0.004 1 115 . 14 LEU HB3 H 2.253 0.004 1 116 . 14 LEU CG C 26.737 0.2 1 117 . 14 LEU HG H 1.992 0.002 1 118 . 14 LEU HD1 H 1.002 0.025 1 119 . 14 LEU HD2 H 1.026 0.015 1 120 . 14 LEU CD1 C 26.028 0.2 1 121 . 14 LEU CD2 C 23.901 0.2 1 122 . 14 LEU C C 178.703 0.2 1 123 . 15 LYS N N 119.845 0.1 1 124 . 15 LYS H H 8.461 0.015 1 125 . 15 LYS CA C 60.532 0.2 1 126 . 15 LYS HA H 3.984 0.015 1 127 . 15 LYS CB C 31.936 0.2 1 128 . 15 LYS HB2 H 2.026 0.004 1 129 . 15 LYS HB3 H 2.026 0.004 1 130 . 15 LYS CG C 26.737 0.2 1 131 . 15 LYS HG2 H 1.492 0.015 1 132 . 15 LYS HG3 H 1.878 0.003 1 133 . 15 LYS CD C 29.573 0.2 1 134 . 15 LYS HD2 H 1.770 0.005 1 135 . 15 LYS HD3 H 1.770 0.005 1 136 . 15 LYS CE C 41.862 0.2 1 137 . 15 LYS HE2 H 2.984 0.014 1 138 . 15 LYS HE3 H 2.984 0.014 1 139 . 15 LYS C C 179.630 0.2 1 140 . 16 ASN N N 118.741 0.1 1 141 . 16 ASN H H 8.154 0.015 1 142 . 16 ASN CA C 56.278 0.2 1 143 . 16 ASN HA H 4.607 0.003 1 144 . 16 ASN CB C 38.081 0.2 1 145 . 16 ASN HB2 H 2.961 0.003 1 146 . 16 ASN HB3 H 2.961 0.003 1 147 . 16 ASN C C 178.105 0.2 1 148 . 17 LEU N N 123.507 0.1 1 149 . 17 LEU H H 8.298 0.015 1 150 . 17 LEU CA C 57.696 0.2 1 151 . 17 LEU HA H 3.990 0.015 1 152 . 17 LEU CB C 42.334 0.2 1 153 . 17 LEU HB2 H 1.390 0.002 1 154 . 17 LEU HB3 H 1.822 0.002 1 155 . 17 LEU CG C 26.973 0.2 1 156 . 17 LEU HG H 1.688 0.003 1 157 . 17 LEU HD1 H 0.679 0.001 1 158 . 17 LEU HD2 H 0.800 0.001 1 159 . 17 LEU CD1 C 23.428 0.2 1 160 . 17 LEU CD2 C 25.792 0.2 1 161 . 17 LEU C C 178.702 0.2 1 162 . 18 LEU N N 120.105 0.1 1 163 . 18 LEU H H 8.679 0.015 1 164 . 18 LEU CA C 58.641 0.2 1 165 . 18 LEU HA H 3.991 0.001 1 166 . 18 LEU CB C 41.389 0.2 1 167 . 18 LEU HB2 H 1.778 0.001 1 168 . 18 LEU HB3 H 2.286 0.002 1 169 . 18 LEU CG C 26.973 0.2 1 170 . 18 LEU HG H 1.659 0.014 1 171 . 18 LEU HD1 H 1.020 0.009 1 172 . 18 LEU HD2 H 1.031 0.015 1 173 . 18 LEU CD1 C 25.792 0.2 1 174 . 18 LEU CD2 C 23.428 0.2 1 175 . 18 LEU C C 178.514 0.2 1 176 . 19 GLU N N 116.895 0.1 1 177 . 19 GLU H H 7.757 0.015 1 178 . 19 GLU CA C 59.114 0.2 1 179 . 19 GLU HA H 4.149 0.002 1 180 . 19 GLU CB C 28.864 0.2 1 181 . 19 GLU HB2 H 2.280 0.015 1 182 . 19 GLU HB3 H 2.280 0.015 1 183 . 19 GLU CG C 35.717 0.2 1 184 . 19 GLU HG2 H 2.553 0.015 1 185 . 19 GLU HG3 H 2.553 0.015 1 186 . 19 GLU C C 179.216 0.2 1 187 . 20 GLU N N 121.175 0.1 1 188 . 20 GLU H H 8.113 0.015 1 189 . 20 GLU CA C 59.350 0.2 1 190 . 20 GLU HA H 4.212 0.003 1 191 . 20 GLU CB C 29.336 0.2 1 192 . 20 GLU HB2 H 2.354 0.011 1 193 . 20 GLU HB3 H 2.354 0.011 1 194 . 20 GLU CG C 35.954 0.2 1 195 . 20 GLU HG2 H 2.363 0.001 1 196 . 20 GLU HG3 H 2.363 0.001 1 197 . 20 GLU C C 179.700 0.2 1 198 . 21 LYS N N 119.612 0.1 1 199 . 21 LYS H H 8.832 0.015 1 200 . 21 LYS CA C 58.168 0.2 1 201 . 21 LYS HA H 4.231 0.002 1 202 . 21 LYS CB C 32.409 0.2 1 203 . 21 LYS HB2 H 1.725 0.010 1 204 . 21 LYS HB3 H 2.205 0.002 1 205 . 21 LYS CG C 25.319 0.2 1 206 . 21 LYS HG2 H 1.447 0.001 1 207 . 21 LYS HG3 H 1.756 0.001 1 208 . 21 LYS CD C 28.627 0.2 1 209 . 21 LYS HD2 H 1.972 0.004 1 210 . 21 LYS HD3 H 1.972 0.004 1 211 . 21 LYS CE C 42.571 0.2 1 212 . 21 LYS HE2 H 2.999 0.009 1 213 . 21 LYS HE3 H 2.999 0.009 1 214 . 21 LYS C C 178.703 0.2 1 215 . 22 LYS N N 119.791 0.1 1 216 . 22 LYS H H 8.654 0.015 1 217 . 22 LYS CA C 59.251 0.2 1 218 . 22 LYS HA H 4.131 0.015 1 219 . 22 LYS CB C 29.930 0.2 1 220 . 22 LYS HB2 H 2.160 0.015 1 221 . 22 LYS HB3 H 2.160 0.015 1 222 . 23 ARG N N 121.177 0.1 1 223 . 23 ARG H H 8.045 0.015 1 224 . 23 ARG CA C 59.823 0.2 1 225 . 23 ARG HA H 4.194 0.002 1 226 . 23 ARG CB C 29.809 0.2 1 227 . 23 ARG HB2 H 2.128 0.003 1 228 . 23 ARG HB3 H 2.128 0.003 1 229 . 23 ARG CG C 27.682 0.2 1 230 . 23 ARG HG2 H 1.713 0.015 1 231 . 23 ARG HG3 H 1.944 0.002 1 232 . 23 ARG CD C 43.516 0.2 1 233 . 23 ARG HD2 H 3.348 0.003 1 234 . 23 ARG HD3 H 3.348 0.003 1 235 . 23 ARG C C 179.325 0.2 1 236 . 24 GLN N N 120.643 0.1 1 237 . 24 GLN H H 8.439 0.015 1 238 . 24 GLN CA C 59.114 0.2 1 239 . 24 GLN HA H 4.209 0.003 1 240 . 24 GLN CB C 28.155 0.2 1 241 . 24 GLN HB2 H 2.303 0.015 1 242 . 24 GLN HB3 H 2.386 0.001 1 243 . 24 GLN CG C 33.827 0.2 1 244 . 24 GLN HG2 H 2.451 0.015 1 245 . 24 GLN HG3 H 2.714 0.002 1 246 . 24 GLN C C 179.135 0.2 1 247 . 25 LEU N N 120.008 0.1 1 248 . 25 LEU H H 8.640 0.015 1 249 . 25 LEU CA C 58.641 0.2 1 250 . 25 LEU HA H 4.179 0.005 1 251 . 25 LEU CB C 41.389 0.2 1 252 . 25 LEU HB2 H 1.640 0.007 1 253 . 25 LEU HB3 H 2.205 0.003 1 254 . 25 LEU CG C 26.737 0.2 1 255 . 25 LEU HG H 1.700 0.015 1 256 . 25 LEU HD1 H 1.049 0.041 1 257 . 25 LEU HD2 H 1.086 0.003 1 258 . 25 LEU CD1 C 26.737 0.2 1 259 . 25 LEU CD2 C 24.610 0.2 1 260 . 25 LEU C C 178.186 0.2 1 261 . 26 MET N N 117.398 0.1 1 262 . 26 MET H H 7.798 0.015 1 263 . 26 MET CA C 58.877 0.2 1 264 . 26 MET HA H 4.224 0.015 1 265 . 26 MET CB C 32.409 0.2 1 266 . 26 MET HB2 H 2.364 0.001 1 267 . 26 MET HB3 H 2.727 0.005 1 268 . 26 MET CG C 32.409 0.2 1 269 . 26 MET HG2 H 2.832 0.002 1 270 . 26 MET HG3 H 2.832 0.002 1 271 . 27 GLU N N 121.161 0.1 1 272 . 27 GLU H H 8.104 0.015 1 273 . 27 GLU CA C 59.823 0.2 1 274 . 27 GLU HA H 4.327 0.002 1 275 . 27 GLU CB C 29.336 0.2 1 276 . 27 GLU HB2 H 2.293 0.008 1 277 . 27 GLU HB3 H 2.293 0.008 1 278 . 27 GLU CG C 36.190 0.2 1 279 . 27 GLU HG2 H 2.412 0.005 1 280 . 27 GLU HG3 H 2.536 0.006 1 281 . 27 GLU C C 179.548 0.2 1 282 . 28 LEU N N 120.327 0.1 1 283 . 28 LEU H H 8.783 0.015 1 284 . 28 LEU CA C 58.168 0.2 1 285 . 28 LEU HA H 4.203 0.015 1 286 . 28 LEU CB C 43.043 0.2 1 287 . 28 LEU HB2 H 1.372 0.015 1 288 . 28 LEU HB3 H 2.155 0.006 1 289 . 28 LEU CG C 26.737 0.2 1 290 . 28 LEU HG H 2.138 0.002 1 291 . 28 LEU HD1 H 0.863 0.005 1 292 . 28 LEU HD2 H 1.027 0.006 1 293 . 28 LEU CD1 C 26.501 0.2 1 294 . 28 LEU CD2 C 23.428 0.2 1 295 . 28 LEU C C 179.914 0.2 1 296 . 29 ARG N N 118.071 0.1 1 297 . 29 ARG H H 8.535 0.015 1 298 . 29 ARG CA C 60.295 0.2 1 299 . 29 ARG HA H 4.028 0.003 1 300 . 29 ARG CB C 30.045 0.2 1 301 . 29 ARG HB2 H 2.055 0.005 1 302 . 29 ARG HB3 H 2.055 0.005 1 303 . 29 ARG CG C 28.627 0.2 1 304 . 29 ARG HG2 H 1.711 0.006 1 305 . 29 ARG HG3 H 2.056 0.005 1 306 . 29 ARG CD C 43.752 0.2 1 307 . 29 ARG HD2 H 3.259 0.005 1 308 . 29 ARG HD3 H 3.259 0.005 1 309 . 29 ARG C C 179.686 0.2 1 310 . 30 PHE N N 122.890 0.1 1 311 . 30 PHE H H 8.156 0.015 1 312 . 30 PHE CA C 61.004 0.2 1 313 . 30 PHE HA H 4.534 0.004 1 314 . 30 PHE CB C 38.553 0.2 1 315 . 30 PHE HB2 H 3.424 0.005 1 316 . 30 PHE HB3 H 3.466 0.004 1 317 . 30 PHE HD1 H 7.419 0.004 1 318 . 30 PHE HE1 H 7.502 0.001 1 319 . 30 PHE CD1 C 129.295 0.2 1 320 . 30 PHE CE1 C 128.959 0.2 1 321 . 30 PHE CZ C 129.090 0.2 1 322 . 30 PHE HZ H 7.459 0.001 1 323 . 30 PHE C C 177.544 0.2 1 324 . 31 GLN N N 118.544 0.1 1 325 . 31 GLN H H 8.464 0.015 1 326 . 31 GLN CA C 59.114 0.2 1 327 . 31 GLN HA H 3.931 0.003 1 328 . 31 GLN CB C 28.864 0.2 1 329 . 31 GLN HB2 H 2.044 0.015 1 330 . 31 GLN HB3 H 2.375 0.002 1 331 . 31 GLN CG C 34.063 0.2 1 332 . 31 GLN HG2 H 2.592 0.015 1 333 . 31 GLN HG3 H 2.879 0.015 1 334 . 31 GLN C C 179.635 0.2 1 335 . 32 LEU N N 121.899 0.1 1 336 . 32 LEU H H 8.652 0.015 1 337 . 32 LEU CA C 58.168 0.2 1 338 . 32 LEU HA H 4.313 0.015 1 339 . 32 LEU CB C 42.334 0.2 1 340 . 32 LEU HB2 H 1.707 0.001 1 341 . 32 LEU HB3 H 2.147 0.002 1 342 . 32 LEU CG C 26.973 0.2 1 343 . 32 LEU HG H 1.704 0.010 1 344 . 32 LEU HD1 H 1.030 0.003 1 345 . 32 LEU HD2 H 1.017 0.011 1 346 . 32 LEU CD1 C 24.137 0.2 1 347 . 32 LEU CD2 C 26.028 0.2 1 348 . 32 LEU C C 180.355 0.2 1 349 . 33 ALA N N 123.681 0.1 1 350 . 33 ALA H H 8.063 0.015 1 351 . 33 ALA CA C 54.860 0.2 1 352 . 33 ALA HA H 4.205 0.015 1 353 . 33 ALA HB H 1.612 0.002 1 354 . 33 ALA CB C 17.756 0.2 1 355 . 33 ALA C C 179.575 0.2 1 356 . 34 MET N N 113.529 0.1 1 357 . 34 MET H H 7.618 0.015 1 358 . 34 MET CA C 54.624 0.2 1 359 . 34 MET HA H 4.615 0.002 1 360 . 34 MET CB C 32.645 0.2 1 361 . 34 MET HB2 H 1.963 0.003 1 362 . 34 MET HB3 H 2.202 0.001 1 363 . 34 MET CG C 32.172 0.2 1 364 . 34 MET HG2 H 2.201 0.002 1 365 . 34 MET HG3 H 2.351 0.002 1 366 . 34 MET C C 177.138 0.2 1 367 . 35 GLY N N 108.623 0.1 1 368 . 35 GLY H H 8.021 0.015 1 369 . 35 GLY CA C 46.116 0.2 1 370 . 35 GLY HA2 H 4.014 0.003 1 371 . 35 GLY HA3 H 4.260 0.001 1 372 . 35 GLY C C 175.285 0.2 1 373 . 36 GLN N N 117.144 0.1 1 374 . 36 GLN H H 8.144 0.015 1 375 . 36 GLN CA C 55.569 0.2 1 376 . 36 GLN HA H 4.468 0.015 1 377 . 36 GLN CB C 29.573 0.2 1 378 . 36 GLN HB2 H 1.881 0.001 1 379 . 36 GLN HB3 H 2.347 0.012 1 380 . 36 GLN CG C 33.590 0.2 1 381 . 36 GLN HG2 H 2.361 0.002 1 382 . 36 GLN HG3 H 2.361 0.002 1 383 . 36 GLN C C 175.573 0.2 1 384 . 37 LEU N N 121.235 0.1 1 385 . 37 LEU H H 7.453 0.015 1 386 . 37 LEU CA C 54.624 0.2 1 387 . 37 LEU HA H 4.553 0.003 1 388 . 37 LEU CB C 43.043 0.2 1 389 . 37 LEU HB2 H 1.370 0.003 1 390 . 37 LEU HB3 H 1.809 0.001 1 391 . 37 LEU CG C 27.446 0.2 1 392 . 37 LEU HG H 1.457 0.004 1 393 . 37 LEU HD1 H 1.108 0.005 1 394 . 37 LEU HD2 H 1.267 0.185 1 395 . 37 LEU CD1 C 26.264 0.2 1 396 . 37 LEU CD2 C 27.682 0.2 1 397 . 40 THR CA C 64.077 0.2 1 398 . 40 THR HA H 4.127 0.003 1 399 . 40 THR CB C 68.567 0.2 1 400 . 40 THR HB H 4.583 0.001 1 401 . 40 THR HG2 H 1.380 0.015 1 402 . 40 THR CG2 C 22.483 0.2 1 403 . 41 SER CA C 62.422 0.2 1 404 . 41 SER HA H 4.336 0.002 1 405 . 41 SER CB C 62.659 0.2 1 406 . 41 SER HB2 H 4.102 0.003 1 407 . 41 SER C C 175.969 0.2 1 408 . 42 LEU N N 120.226 0.1 1 409 . 42 LEU H H 7.952 0.015 1 410 . 42 LEU CA C 57.696 0.2 1 411 . 42 LEU HA H 4.260 0.005 1 412 . 42 LEU CB C 42.334 0.2 1 413 . 42 LEU HB2 H 1.703 0.002 1 414 . 42 LEU HB3 H 1.856 0.006 1 415 . 42 LEU CG C 27.210 0.2 1 416 . 42 LEU HG H 1.821 0.001 1 417 . 42 LEU HD1 H 0.984 0.002 1 418 . 42 LEU HD2 H 1.119 0.001 1 419 . 42 LEU CD1 C 23.192 0.2 1 420 . 42 LEU CD2 C 24.846 0.2 1 421 . 42 LEU C C 180.572 0.2 1 422 . 43 ILE N N 121.824 0.1 1 423 . 43 ILE H H 7.756 0.015 1 424 . 43 ILE CA C 66.204 0.2 1 425 . 43 ILE HA H 3.642 0.003 1 426 . 43 ILE CB C 37.844 0.2 1 427 . 43 ILE HB H 2.137 0.015 1 428 . 43 ILE HG2 H 1.009 0.015 1 429 . 43 ILE CG2 C 16.811 0.2 1 430 . 43 ILE CG1 C 31.227 0.2 1 431 . 43 ILE HG12 H 1.071 0.015 1 432 . 43 ILE HG13 H 1.757 0.005 1 433 . 43 ILE HD1 H 0.974 0.002 1 434 . 43 ILE CD1 C 13.975 0.2 1 435 . 43 ILE C C 176.819 0.2 1 436 . 44 LYS N N 119.980 0.1 1 437 . 44 LYS H H 7.519 0.015 1 438 . 44 LYS CA C 60.059 0.2 1 439 . 44 LYS HA H 4.029 0.003 1 440 . 44 LYS CB C 32.409 0.2 1 441 . 44 LYS HB2 H 2.049 0.003 1 442 . 44 LYS HB3 H 2.049 0.003 1 443 . 44 LYS CG C 25.083 0.2 1 444 . 44 LYS HG2 H 1.513 0.009 1 445 . 44 LYS HG3 H 1.669 0.001 1 446 . 44 LYS CD C 29.573 0.2 1 447 . 44 LYS HD2 H 1.802 0.006 1 448 . 44 LYS HD3 H 1.802 0.006 1 449 . 44 LYS CE C 42.334 0.2 1 450 . 44 LYS HE2 H 3.059 0.003 1 451 . 44 LYS HE3 H 3.059 0.003 1 452 . 44 LYS C C 179.700 0.2 1 453 . 45 LEU N N 119.195 0.1 1 454 . 45 LEU H H 8.097 0.015 1 455 . 45 LEU CA C 58.405 0.2 1 456 . 45 LEU HA H 4.114 0.008 1 457 . 45 LEU CB C 41.862 0.2 1 458 . 45 LEU HB2 H 1.800 0.001 1 459 . 45 LEU HB3 H 1.871 0.015 1 460 . 45 LEU CG C 26.973 0.2 1 461 . 45 LEU HG H 1.872 0.001 1 462 . 45 LEU HD1 H 0.987 0.004 1 463 . 45 LEU HD2 H 0.978 0.004 1 464 . 45 LEU CD1 C 24.846 0.2 1 465 . 45 LEU CD2 C 23.428 0.2 1 466 . 45 LEU C C 179.011 0.2 1 467 . 46 THR N N 117.143 0.1 1 468 . 46 THR H H 8.012 0.015 1 469 . 46 THR CA C 68.094 0.2 1 470 . 46 THR HA H 4.096 0.015 1 471 . 46 THR CB C 68.094 0.2 1 472 . 46 THR HB H 4.306 0.003 1 473 . 46 THR HG2 H 1.381 0.001 1 474 . 46 THR CG2 C 22.719 0.2 1 475 . 46 THR C C 176.654 0.2 1 476 . 47 LYS N N 120.779 0.1 1 477 . 47 LYS H H 8.471 0.015 1 478 . 47 LYS CA C 61.004 0.2 1 479 . 47 LYS HA H 3.984 0.015 1 480 . 47 LYS CB C 32.409 0.2 1 481 . 47 LYS HB2 H 2.017 0.015 1 482 . 47 LYS HB3 H 2.017 0.015 1 483 . 47 LYS CG C 26.501 0.2 1 484 . 47 LYS HG2 H 1.497 0.001 1 485 . 47 LYS HG3 H 1.497 0.001 1 486 . 47 LYS CD C 30.045 0.2 1 487 . 47 LYS HD2 H 1.732 0.002 1 488 . 47 LYS HD3 H 1.732 0.002 1 489 . 47 LYS CE C 41.626 0.2 1 490 . 47 LYS HE2 H 2.970 0.015 1 491 . 47 LYS HE3 H 2.970 0.015 1 492 . 48 ARG CA C 59.350 0.2 1 493 . 48 ARG HA H 4.247 0.001 1 494 . 48 ARG CB C 29.336 0.2 1 495 . 48 ARG HB2 H 2.118 0.001 1 496 . 48 ARG HB3 H 2.207 0.003 1 497 . 48 ARG CG C 26.973 0.2 1 498 . 48 ARG HG2 H 1.706 0.015 1 499 . 48 ARG HG3 H 1.996 0.002 1 500 . 48 ARG CD C 43.752 0.2 1 501 . 48 ARG HD2 H 3.299 0.006 1 502 . 48 ARG HD3 H 3.299 0.006 1 503 . 48 ARG C C 178.887 0.2 1 504 . 49 ASP N N 121.703 0.1 1 505 . 49 ASP H H 8.156 0.015 1 506 . 49 ASP CA C 58.168 0.2 1 507 . 49 ASP HA H 4.572 0.002 1 508 . 49 ASP CB C 40.444 0.2 1 509 . 49 ASP HB2 H 2.525 0.019 1 510 . 49 ASP HB3 H 3.091 0.005 1 511 . 49 ASP C C 178.614 0.2 1 512 . 50 ILE N N 120.189 0.1 1 513 . 50 ILE H H 8.235 0.015 1 514 . 50 ILE CA C 66.676 0.2 1 515 . 50 ILE HA H 3.530 0.001 1 516 . 50 ILE CB C 38.553 0.2 1 517 . 50 ILE HB H 1.998 0.005 1 518 . 50 ILE HG2 H 0.984 0.002 1 519 . 50 ILE CG2 C 16.338 0.2 1 520 . 50 ILE CG1 C 31.700 0.2 1 521 . 50 ILE HG12 H 0.907 0.007 1 522 . 50 ILE HG13 H 1.970 0.001 1 523 . 50 ILE HD1 H 0.908 0.015 1 524 . 50 ILE CD1 C 14.920 0.2 1 525 . 50 ILE C C 177.074 0.2 1 526 . 51 ALA N N 120.815 0.1 1 527 . 51 ALA H H 7.898 0.015 1 528 . 51 ALA CA C 55.333 0.2 1 529 . 51 ALA HA H 4.185 0.001 1 530 . 51 ALA HB H 1.648 0.002 1 531 . 51 ALA CB C 17.993 0.2 1 532 . 51 ALA C C 181.105 0.2 1 533 . 52 ARG N N 119.664 0.1 1 534 . 52 ARG H H 8.380 0.015 1 535 . 52 ARG CA C 59.823 0.2 1 536 . 52 ARG HA H 4.165 0.002 1 537 . 52 ARG CB C 30.518 0.2 1 538 . 52 ARG HB2 H 1.956 0.004 1 539 . 52 ARG HB3 H 2.148 0.003 1 540 . 52 ARG CG C 27.682 0.2 1 541 . 52 ARG HG2 H 1.803 0.001 1 542 . 52 ARG HG3 H 2.007 0.015 1 543 . 52 ARG CD C 43.989 0.2 1 544 . 52 ARG HD2 H 3.287 0.001 1 545 . 52 ARG HD3 H 3.287 0.001 1 546 . 52 ARG C C 179.071 0.2 1 547 . 53 ILE N N 120.110 0.1 1 548 . 53 ILE H H 8.407 0.015 1 549 . 53 ILE CA C 66.440 0.2 1 550 . 53 ILE HA H 3.591 0.001 1 551 . 53 ILE CB C 38.317 0.2 1 552 . 53 ILE HB H 1.969 0.015 1 553 . 53 ILE HG2 H 1.054 0.002 1 554 . 53 ILE CG2 C 19.647 0.2 1 555 . 53 ILE CG1 C 30.045 0.2 1 556 . 53 ILE HG12 H 0.913 0.015 1 557 . 53 ILE HG13 H 2.111 0.001 1 558 . 53 ILE HD1 H 0.830 0.002 1 559 . 53 ILE CD1 C 14.448 0.2 1 560 . 53 ILE C C 177.983 0.2 1 561 . 54 LYS N N 117.817 0.1 1 562 . 54 LYS H H 8.576 0.015 1 563 . 54 LYS CA C 60.768 0.2 1 564 . 54 LYS HA H 3.976 0.002 1 565 . 54 LYS CB C 32.409 0.2 1 566 . 54 LYS HB2 H 2.021 0.002 1 567 . 54 LYS HB3 H 2.021 0.002 1 568 . 54 LYS CG C 26.501 0.2 1 569 . 54 LYS HG2 H 1.496 0.004 1 570 . 54 LYS HG3 H 1.878 0.004 1 571 . 54 LYS CD C 29.809 0.2 1 572 . 54 LYS HD2 H 1.778 0.007 1 573 . 54 LYS HD3 H 1.778 0.007 1 574 . 54 LYS CE C 42.098 0.2 1 575 . 54 LYS HE2 H 2.988 0.010 1 576 . 54 LYS HE3 H 2.988 0.010 1 577 . 54 LYS C C 179.824 0.2 1 578 . 55 THR N N 116.763 0.1 1 579 . 55 THR H H 8.160 0.015 1 580 . 55 THR CA C 67.385 0.2 1 581 . 55 THR HA H 4.041 0.003 1 582 . 55 THR CB C 69.040 0.2 1 583 . 55 THR HB H 4.498 0.003 1 584 . 55 THR HG2 H 1.348 0.002 1 585 . 55 THR CG2 C 21.538 0.2 1 586 . 55 THR C C 175.999 0.2 1 587 . 56 ILE N N 123.029 0.1 1 588 . 56 ILE H H 7.782 0.015 1 589 . 56 ILE CA C 64.549 0.2 1 590 . 56 ILE HA H 3.895 0.003 1 591 . 56 ILE CB C 37.608 0.2 1 592 . 56 ILE HB H 2.011 0.001 1 593 . 56 ILE HG2 H 0.969 0.015 1 594 . 56 ILE CG2 C 18.229 0.2 1 595 . 56 ILE CG1 C 28.627 0.2 1 596 . 56 ILE HG12 H 1.313 0.004 1 597 . 56 ILE HG13 H 1.785 0.006 1 598 . 56 ILE HD1 H 0.852 0.001 1 599 . 56 ILE CD1 C 13.739 0.2 1 600 . 56 ILE C C 178.518 0.2 1 601 . 57 LEU N N 119.459 0.1 1 602 . 57 LEU H H 8.419 0.015 1 603 . 57 LEU CA C 58.641 0.2 1 604 . 57 LEU HA H 4.030 0.003 1 605 . 57 LEU CB C 41.862 0.2 1 606 . 57 LEU HB2 H 1.621 0.003 1 607 . 57 LEU HB3 H 1.974 0.015 1 608 . 57 LEU CG C 27.210 0.2 1 609 . 57 LEU HG H 1.802 0.015 1 610 . 57 LEU HD1 H 0.908 0.001 1 611 . 57 LEU HD2 H 1.030 0.001 1 612 . 57 LEU CD1 C 26.264 0.2 1 613 . 57 LEU CD2 C 23.428 0.2 1 614 . 57 LEU C C 179.737 0.2 1 615 . 58 ARG N N 119.962 0.1 1 616 . 58 ARG H H 8.131 0.015 1 617 . 58 ARG CA C 58.877 0.2 1 618 . 58 ARG HA H 4.270 0.001 1 619 . 58 ARG CB C 29.809 0.2 1 620 . 58 ARG HB2 H 2.058 0.003 1 621 . 58 ARG HB3 H 2.145 0.003 1 622 . 58 ARG CG C 27.210 0.2 1 623 . 58 ARG HG2 H 1.822 0.015 1 624 . 58 ARG HG3 H 1.822 0.015 1 625 . 58 ARG CD C 43.516 0.2 1 626 . 58 ARG HD2 H 3.283 0.003 1 627 . 58 ARG HD3 H 3.435 0.003 1 628 . 58 ARG C C 178.637 0.2 1 629 . 59 GLU N N 119.415 0.1 1 630 . 59 GLU H H 8.225 0.015 1 631 . 59 GLU CA C 59.823 0.2 1 632 . 59 GLU HA H 4.055 0.002 1 633 . 59 GLU CB C 29.336 0.2 1 634 . 59 GLU HB2 H 2.194 0.002 1 635 . 59 GLU HB3 H 2.484 0.015 1 636 . 59 GLU CG C 36.899 0.2 1 637 . 59 GLU HG2 H 2.354 0.001 1 638 . 59 GLU HG3 H 2.716 0.015 1 639 . 59 GLU C C 179.792 0.2 1 640 . 60 ARG N N 118.341 0.1 1 641 . 60 ARG H H 8.226 0.015 1 642 . 60 ARG CA C 58.877 0.2 1 643 . 60 ARG HA H 4.260 0.015 1 644 . 60 ARG CB C 30.045 0.2 1 645 . 60 ARG HB2 H 2.063 0.015 1 646 . 60 ARG HB3 H 2.148 0.015 1 647 . 60 ARG CG C 27.918 0.2 1 648 . 60 ARG HG2 H 1.826 0.005 1 649 . 60 ARG HG3 H 1.826 0.005 1 650 . 60 ARG CD C 43.989 0.2 1 651 . 60 ARG HD2 H 3.286 0.015 1 652 . 60 ARG HD3 H 3.286 0.015 1 653 . 60 ARG C C 179.606 0.2 1 654 . 61 GLU N N 121.117 0.1 1 655 . 61 GLU H H 8.062 0.015 1 656 . 61 GLU CA C 59.114 0.2 1 657 . 61 GLU HA H 4.198 0.015 1 658 . 61 GLU CB C 30.045 0.2 1 659 . 61 GLU HB2 H 2.265 0.001 1 660 . 61 GLU HB3 H 2.265 0.001 1 661 . 61 GLU CG C 36.426 0.2 1 662 . 61 GLU HG2 H 2.364 0.007 1 663 . 61 GLU HG3 H 2.566 0.003 1 664 . 61 GLU C C 178.397 0.2 1 665 . 62 LEU N N 118.281 0.1 1 666 . 62 LEU H H 7.890 0.015 1 667 . 62 LEU CA C 55.569 0.2 1 668 . 62 LEU HA H 4.412 0.002 1 669 . 62 LEU CB C 42.571 0.2 1 670 . 62 LEU HB2 H 1.747 0.015 1 671 . 62 LEU HB3 H 1.956 0.002 1 672 . 62 LEU CG C 26.737 0.2 1 673 . 62 LEU HG H 1.908 0.001 1 674 . 62 LEU HD1 H 0.986 0.008 1 675 . 62 LEU HD2 H 0.996 0.003 1 676 . 62 LEU CD1 C 22.719 0.2 1 677 . 62 LEU CD2 C 25.319 0.2 1 678 . 62 LEU C C 178.115 0.2 1 679 . 63 GLY N N 107.695 0.1 1 680 . 63 GLY H H 7.954 0.015 1 681 . 63 GLY CA C 45.643 0.2 1 682 . 63 GLY HA2 H 3.982 0.005 1 683 . 63 GLY HA3 H 4.144 0.001 1 684 . 63 GLY C C 174.440 0.2 1 685 . 64 ILE N N 120.847 0.1 1 686 . 64 ILE H H 7.997 0.015 1 687 . 64 ILE CA C 61.477 0.2 1 688 . 64 ILE HA H 4.181 0.003 1 689 . 64 ILE CB C 38.553 0.2 1 690 . 64 ILE HB H 1.912 0.001 1 691 . 64 ILE HG2 H 0.965 0.003 1 692 . 64 ILE CG2 C 17.284 0.2 1 693 . 64 ILE CG1 C 27.446 0.2 1 694 . 64 ILE HG12 H 1.579 0.001 1 695 . 64 ILE HG13 H 1.243 0.001 1 696 . 64 ILE HD1 H 0.975 0.003 1 697 . 64 ILE CD1 C 13.030 0.2 1 698 . 64 ILE C C 175.839 0.2 1 699 . 65 ARG N N 126.057 0.1 1 700 . 65 ARG H H 8.290 0.015 1 701 . 65 ARG CA C 55.805 0.2 1 702 . 65 ARG HA H 4.519 0.001 1 703 . 65 ARG CB C 30.991 0.2 1 704 . 65 ARG HB2 H 1.845 0.003 1 705 . 65 ARG HB3 H 1.970 0.015 1 706 . 65 ARG CG C 27.210 0.2 1 707 . 65 ARG HG2 H 1.706 0.015 1 708 . 65 ARG HG3 H 1.706 0.015 1 709 . 65 ARG CD C 43.516 0.2 1 710 . 65 ARG HD2 H 3.305 0.003 1 711 . 65 ARG HD3 H 3.305 0.003 1 712 . 65 ARG C C 175.037 0.2 1 713 . 66 ARG N N 128.149 0.1 1 714 . 66 ARG H H 7.988 0.015 1 715 . 66 ARG CA C 57.459 0.2 1 716 . 66 ARG HA H 4.294 0.003 1 717 . 66 ARG CB C 31.700 0.2 1 718 . 66 ARG HB2 H 1.792 0.003 1 719 . 66 ARG HB3 H 1.938 0.001 1 720 . 66 ARG CG C 27.918 0.2 1 721 . 66 ARG HG2 H 1.679 0.003 1 722 . 66 ARG HG3 H 1.679 0.003 1 723 . 66 ARG CD C 43.516 0.2 1 724 . 66 ARG HD2 H 3.270 0.006 1 725 . 66 ARG HD3 H 3.270 0.006 1 stop_ save_