data_5891 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain ; _BMRB_accession_number 5891 _BMRB_flat_file_name bmr5891.str _Entry_type original _Submission_date 2003-07-30 _Accession_date 2003-07-30 _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 Kahsai Mebrahtu . . 2 Singh Sanjay . . 3 Gupta Ramesh . . 4 Edmondson Stephen P. . 5 Shriver John W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 548 "13C chemical shifts" 443 "15N chemical shifts" 93 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 ; 1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kahsai Mebrahtu . . 2 Singh Sanjay . . 3 Gupta Ramesh . . 4 Edmondson Stephen P. . 5 Shriver John W. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2003 _Details . loop_ _Keyword Sulfolobus hyperthermophile 'coiled coils' 'DNA-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_Sso10a _Saveframe_category molecular_system _Mol_system_name Sso10a _Abbreviation_common Sso10a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sso10a subunit 1' $Sso10a_monomer 'Sso10a subunit 2' $Sso10a_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Sso10a subunit 1' 1 'Sso10a subunit 2' stop_ loop_ _Biological_function DNA-binding stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sso10a_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sso10a _Abbreviation_common Sso10a _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; AKKKSKLEIIQAILEACKSG SPKTRIMYGANLSYALTGRY IKMLMDLEIIRQEGKQYMLT KKGEELLEDIRKFNEMRKNM DQLKEKINSVLSIRQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 LYS 4 LYS 5 SER 6 LYS 7 LEU 8 GLU 9 ILE 10 ILE 11 GLN 12 ALA 13 ILE 14 LEU 15 GLU 16 ALA 17 CYS 18 LYS 19 SER 20 GLY 21 SER 22 PRO 23 LYS 24 THR 25 ARG 26 ILE 27 MET 28 TYR 29 GLY 30 ALA 31 ASN 32 LEU 33 SER 34 TYR 35 ALA 36 LEU 37 THR 38 GLY 39 ARG 40 TYR 41 ILE 42 LYS 43 MET 44 LEU 45 MET 46 ASP 47 LEU 48 GLU 49 ILE 50 ILE 51 ARG 52 GLN 53 GLU 54 GLY 55 LYS 56 GLN 57 TYR 58 MET 59 LEU 60 THR 61 LYS 62 LYS 63 GLY 64 GLU 65 GLU 66 LEU 67 LEU 68 GLU 69 ASP 70 ILE 71 ARG 72 LYS 73 PHE 74 ASN 75 GLU 76 MET 77 ARG 78 LYS 79 ASN 80 MET 81 ASP 82 GLN 83 LEU 84 LYS 85 GLU 86 LYS 87 ILE 88 ASN 89 SER 90 VAL 91 LEU 92 SER 93 ILE 94 ARG 95 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1R7J "Crystal Structure Of The Dna-Binding Protein Sso10a From Sulfolobus Solfataricus" 100.00 95 100.00 100.00 2.00e-59 PDB 1XSX "Nmr Structure Of Sso10a, A Hyperthermophile Dna-Binding Protein With An Extended Anti-Parallel Coiled Coil" 100.00 95 100.00 100.00 2.00e-59 EMBL CAH69222 "DNA-binding protein [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.93e-59 GB ACX90575 "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" 100.00 96 98.95 100.00 4.57e-59 REF WP_009988494 "hypothetical protein [Sulfolobus solfataricus]" 100.00 96 98.95 100.00 4.57e-59 REF YP_005642176 "hypothetical protein [Sulfolobus solfataricus 98/2]" 100.00 96 98.95 100.00 4.57e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Sso10a_monomer 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus sso10a 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 $Sso10a_monomer '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 $Sso10a_monomer 2.5 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5 loop_ _Task 'Back bone and side chain assignment' stop_ _Details . save_ save_NMPIPE _Saveframe_category software _Name NMPIPE _Version . loop_ _Task 'NMR data processing' stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task 'NMR data processing' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Task 'data collection' 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNHA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label . save_ save_NOESY-NHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-NHSQC _Sample_label . save_ save_CCC-TOCSY-NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_HCC-TOCY-NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCY-NNH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HBCBCGCDHD_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label . save_ save_2D-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _Sample_label . save_ save_2D-dq-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-dq-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-NHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-dq-COSY _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 5.0 0.2 na temperature 303 0.2 K 'ionic strength' 0.0 0.0 M 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_sso10a_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNHA HNCO HNCA HN(CO)CA HNCACB CBCA(CO)NNH NOESY-NHSQC CCC-TOCSY-NNH HCC-TOCY-NNH HCCH-TOCSY HCCH-COSY HBCBCGCDHD 2D-NOESY 2D-dq-COSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sso10a subunit 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 . 1 ALA CA C 52.000 0.05 1 2 . 1 ALA CB C 19.500 0.05 1 3 . 2 LYS H H 8.533 0.02 1 4 . 2 LYS N N 121.236 0.05 1 5 . 2 LYS CA C 56.314 0.05 1 6 . 2 LYS HA H 4.235 0.02 1 7 . 2 LYS C C 176.245 0.05 1 8 . 2 LYS CB C 32.856 0.05 1 9 . 2 LYS HB2 H 1.725 0.02 2 10 . 2 LYS HB3 H 1.682 0.02 2 11 . 2 LYS CG C 24.615 0.05 1 12 . 2 LYS HG2 H 1.364 0.02 1 13 . 2 LYS HG3 H 1.364 0.02 1 14 . 2 LYS CD C 29.052 0.05 1 15 . 2 LYS HD2 H 1.610 0.02 1 16 . 2 LYS HD3 H 1.610 0.02 1 17 . 2 LYS CE C 41.732 0.05 1 18 . 2 LYS HE2 H 2.928 0.02 1 19 . 2 LYS HE3 H 2.928 0.02 1 20 . 3 LYS H H 8.409 0.02 1 21 . 3 LYS N N 124.022 0.05 1 22 . 3 LYS CA C 56.314 0.05 1 23 . 3 LYS HA H 4.237 0.02 1 24 . 3 LYS C C 176.397 0.05 1 25 . 3 LYS CB C 32.856 0.05 1 26 . 3 LYS HB2 H 1.656 0.02 2 27 . 3 LYS CG C 24.615 0.05 1 28 . 3 LYS HG2 H 1.365 0.02 2 29 . 3 LYS CD C 29.052 0.05 1 30 . 3 LYS CE C 41.732 0.05 1 31 . 3 LYS HE2 H 2.934 0.02 2 32 . 4 LYS H H 8.408 0.02 1 33 . 4 LYS N N 123.948 0.05 1 34 . 4 LYS CA C 56.314 0.05 1 35 . 4 LYS HA H 4.346 0.02 1 36 . 4 LYS C C 176.370 0.05 1 37 . 4 LYS CB C 34.124 0.05 1 38 . 4 LYS HB2 H 1.621 0.02 2 39 . 4 LYS HB3 H 1.689 0.02 2 40 . 4 LYS CG C 25.249 0.05 1 41 . 4 LYS HG2 H 1.423 0.02 2 42 . 4 LYS HG3 H 1.308 0.02 2 43 . 4 LYS CD C 29.052 0.05 1 44 . 4 LYS HD2 H 1.452 0.02 2 45 . 4 LYS HD3 H 1.423 0.02 2 46 . 4 LYS CE C 42.366 0.05 1 47 . 4 LYS HE2 H 2.871 0.02 1 48 . 4 LYS HE3 H 2.871 0.02 1 49 . 5 SER H H 8.862 0.02 1 50 . 5 SER N N 119.035 0.05 1 51 . 5 SER CA C 65.125 0.05 1 52 . 5 SER HA H 4.460 0.02 1 53 . 5 SER C C 174.497 0.05 1 54 . 5 SER CB C 57.000 0.05 1 55 . 5 SER HB2 H 4.118 0.02 2 56 . 5 SER HB3 H 4.121 0.02 2 57 . 6 LYS H H 8.724 0.02 1 58 . 6 LYS N N 121.725 0.05 1 59 . 6 LYS CA C 60.117 0.05 1 60 . 6 LYS HA H 3.951 0.02 1 61 . 6 LYS C C 178.444 0.05 1 62 . 6 LYS CB C 32.222 0.05 1 63 . 6 LYS HB2 H 1.929 0.02 2 64 . 6 LYS HB3 H 1.753 0.02 2 65 . 6 LYS CG C 24.615 0.05 1 66 . 6 LYS HG2 H 1.318 0.02 1 67 . 6 LYS HG3 H 1.318 0.02 1 68 . 6 LYS CD C 29.686 0.05 1 69 . 6 LYS HD2 H 1.710 0.02 2 70 . 6 LYS HD3 H 1.667 0.02 2 71 . 6 LYS CE C 41.732 0.05 1 72 . 6 LYS HE2 H 2.874 0.02 1 73 . 6 LYS HE3 H 2.874 0.02 1 74 . 7 LEU H H 8.293 0.02 1 75 . 7 LEU N N 116.606 0.05 1 76 . 7 LEU CA C 57.582 0.05 1 77 . 7 LEU HA H 3.907 0.02 1 78 . 7 LEU C C 179.363 0.05 1 79 . 7 LEU CB C 41.098 0.05 1 80 . 7 LEU HB2 H 1.648 0.02 2 81 . 7 LEU HB3 H 1.477 0.02 2 82 . 7 LEU CG C 27.151 0.05 1 83 . 7 LEU CD1 C 23.845 0.05 2 84 . 7 LEU HD1 H 0.638 0.02 2 85 . 7 LEU CD2 C 23.981 0.05 2 86 . 7 LEU HD2 H 0.627 0.02 2 87 . 7 LEU HG H 1.652 0.02 1 88 . 8 GLU H H 7.688 0.02 1 89 . 8 GLU N N 119.523 0.05 1 90 . 8 GLU CA C 59.483 0.05 1 91 . 8 GLU HA H 3.955 0.02 1 92 . 8 GLU C C 179.883 0.05 1 93 . 8 GLU CB C 30.303 0.05 1 94 . 8 GLU HB2 H 1.869 0.02 2 95 . 8 GLU HB3 H 2.227 0.02 2 96 . 8 GLU CG C 37.294 0.05 1 97 . 8 GLU HG2 H 2.247 0.02 2 98 . 8 GLU HG3 H 2.252 0.02 2 99 . 8 GLU CD C 179.308 0.05 1 100 . 9 ILE H H 8.069 0.02 1 101 . 9 ILE N N 123.116 0.05 1 102 . 9 ILE CA C 65.823 0.05 1 103 . 9 ILE HA H 3.378 0.02 1 104 . 9 ILE C C 177.281 0.05 1 105 . 9 ILE CB C 37.928 0.05 1 106 . 9 ILE HB H 1.703 0.02 1 107 . 9 ILE CG2 C 17.007 0.05 2 108 . 9 ILE HG2 H 0.174 0.02 1 109 . 9 ILE CG1 C 29.052 0.05 2 110 . 9 ILE HG12 H 1.552 0.02 2 111 . 9 ILE CD1 C 13.203 0.05 1 112 . 9 ILE HD1 H 0.654 0.02 1 113 . 10 ILE H H 8.218 0.02 1 114 . 10 ILE N N 117.850 0.05 1 115 . 10 ILE CA C 65.512 0.05 1 116 . 10 ILE HA H 3.286 0.02 1 117 . 10 ILE C C 177.611 0.05 1 118 . 10 ILE CB C 37.392 0.05 1 119 . 10 ILE HB H 1.845 0.02 1 120 . 10 ILE CG2 C 16.725 0.05 2 121 . 10 ILE HG2 H 0.730 0.02 1 122 . 10 ILE CG1 C 29.686 0.05 2 123 . 10 ILE HG12 H 1.033 0.02 2 124 . 10 ILE CD1 C 13.203 0.05 1 125 . 10 ILE HD1 H 0.752 0.02 1 126 . 11 GLN H H 8.658 0.02 1 127 . 11 GLN N N 118.929 0.05 1 128 . 11 GLN CA C 60.117 0.05 1 129 . 11 GLN HA H 3.516 0.02 1 130 . 11 GLN C C 176.454 0.05 1 131 . 11 GLN CB C 27.784 0.05 1 132 . 11 GLN HB2 H 2.022 0.02 2 133 . 11 GLN HB3 H 2.066 0.02 2 134 . 11 GLN CG C 32.856 0.05 1 135 . 11 GLN HG2 H 2.309 0.02 1 136 . 11 GLN HG3 H 2.309 0.02 1 137 . 12 ALA H H 7.517 0.02 1 138 . 12 ALA N N 119.295 0.05 1 139 . 12 ALA CA C 55.125 0.05 1 140 . 12 ALA HA H 4.039 0.02 1 141 . 12 ALA C C 181.118 0.05 1 142 . 12 ALA CB C 18.250 0.05 1 143 . 12 ALA HB H 1.362 0.02 1 144 . 13 ILE H H 7.956 0.02 1 145 . 13 ILE N N 119.108 0.05 1 146 . 13 ILE CA C 65.823 0.05 1 147 . 13 ILE HA H 3.422 0.02 1 148 . 13 ILE C C 177.719 0.05 1 149 . 13 ILE CB C 37.928 0.05 1 150 . 13 ILE HB H 1.748 0.02 1 151 . 13 ILE CG2 C 16.463 0.05 2 152 . 13 ILE HG2 H 0.526 0.02 1 153 . 13 ILE CG1 C 27.784 0.05 2 154 . 13 ILE CD1 C 14.471 0.05 1 155 . 14 LEU H H 8.642 0.02 1 156 . 14 LEU N N 118.791 0.05 1 157 . 14 LEU CA C 58.216 0.05 1 158 . 14 LEU HA H 3.755 0.02 1 159 . 14 LEU C C 179.060 0.05 1 160 . 14 LEU CB C 41.098 0.05 1 161 . 14 LEU HB2 H 1.933 0.02 2 162 . 14 LEU HB3 H 1.352 0.02 2 163 . 14 LEU CG C 25.883 0.05 1 164 . 14 LEU CD1 C 22.713 0.05 2 165 . 14 LEU HD1 H 0.673 0.02 2 166 . 14 LEU CD2 C 22.560 0.05 2 167 . 14 LEU HD2 H 0.575 0.02 2 168 . 14 LEU HG H 1.978 0.02 1 169 . 15 GLU H H 8.819 0.02 1 170 . 15 GLU N N 116.711 0.05 1 171 . 15 GLU CA C 59.483 0.05 1 172 . 15 GLU HA H 3.827 0.02 1 173 . 15 GLU C C 179.911 0.05 1 174 . 15 GLU CB C 29.052 0.05 1 175 . 15 GLU HB2 H 2.011 0.02 2 176 . 15 GLU HB3 H 1.926 0.02 2 177 . 15 GLU CG C 37.294 0.05 1 178 . 15 GLU HG2 H 2.508 0.02 2 179 . 15 GLU HG3 H 2.261 0.02 2 180 . 15 GLU CD C 182.365 0.05 1 181 . 16 ALA H H 7.582 0.02 1 182 . 16 ALA N N 121.257 0.05 1 183 . 16 ALA CA C 54.500 0.05 1 184 . 16 ALA HA H 4.175 0.02 1 185 . 16 ALA C C 180.087 0.05 1 186 . 16 ALA CB C 18.250 0.05 1 187 . 16 ALA HB H 1.469 0.02 1 188 . 17 CYS H H 7.865 0.02 1 189 . 17 CYS N N 114.963 0.05 1 190 . 17 CYS CA C 62.000 0.05 1 191 . 17 CYS HA H 4.283 0.02 1 192 . 17 CYS C C 175.878 0.05 1 193 . 17 CYS CB C 27.625 0.05 1 194 . 17 CYS HB2 H 2.827 0.02 2 195 . 17 CYS HB3 H 2.543 0.02 2 196 . 18 LYS H H 7.779 0.02 1 197 . 18 LYS N N 123.200 0.05 1 198 . 18 LYS CA C 59.483 0.05 1 199 . 18 LYS HA H 3.924 0.02 1 200 . 18 LYS C C 177.274 0.05 1 201 . 18 LYS CB C 32.222 0.05 1 202 . 18 LYS HB2 H 1.938 0.02 2 203 . 18 LYS HB3 H 1.795 0.02 2 204 . 18 LYS CG C 24.615 0.05 1 205 . 18 LYS HG2 H 1.445 0.02 2 206 . 18 LYS HG3 H 1.352 0.02 2 207 . 18 LYS CD C 29.052 0.05 1 208 . 18 LYS HD2 H 1.613 0.02 2 209 . 18 LYS HD3 H 1.593 0.02 2 210 . 18 LYS CE C 41.833 0.05 1 211 . 18 LYS HE2 H 2.932 0.02 1 212 . 18 LYS HE3 H 2.932 0.02 1 213 . 19 SER H H 7.857 0.02 1 214 . 19 SER N N 111.030 0.05 1 215 . 19 SER CA C 58.250 0.05 1 216 . 19 SER HA H 4.574 0.02 1 217 . 19 SER C C 174.544 0.05 1 218 . 19 SER CB C 63.875 0.05 1 219 . 19 SER HB2 H 3.929 0.02 2 220 . 19 SER HB3 H 3.915 0.02 2 221 . 20 GLY H H 7.517 0.02 1 222 . 20 GLY N N 111.208 0.05 1 223 . 20 GLY CA C 45.125 0.05 1 224 . 20 GLY HA2 H 4.169 0.02 1 225 . 20 GLY HA3 H 4.169 0.02 1 226 . 20 GLY C C 173.999 0.05 1 227 . 21 SER H H 8.474 0.02 1 228 . 21 SER N N 118.260 0.05 1 229 . 21 SER CA C 57.003 0.05 1 230 . 21 SER HA H 5.129 0.02 1 231 . 21 SER CB C 67.628 0.05 1 232 . 22 PRO CA C 62.019 0.05 1 233 . 22 PRO C C 177.869 0.05 1 234 . 22 PRO CB C 32.856 0.05 1 235 . 22 PRO CG C 27.151 0.05 1 236 . 22 PRO CD C 50.608 0.05 1 237 . 23 LYS H H 9.382 0.02 1 238 . 23 LYS N N 121.572 0.05 1 239 . 23 LYS CA C 60.751 0.05 1 240 . 23 LYS HA H 3.704 0.02 1 241 . 23 LYS C C 177.767 0.05 1 242 . 23 LYS CB C 32.856 0.05 1 243 . 23 LYS HB2 H 1.928 0.02 1 244 . 23 LYS HB3 H 1.928 0.02 1 245 . 23 LYS CG C 25.249 0.05 1 246 . 23 LYS HG2 H 1.168 0.02 1 247 . 23 LYS HG3 H 1.168 0.02 1 248 . 23 LYS CD C 29.686 0.05 1 249 . 23 LYS HD2 H 1.550 0.02 1 250 . 23 LYS HD3 H 1.550 0.02 1 251 . 23 LYS CE C 41.732 0.05 1 252 . 23 LYS HE2 H 2.594 0.02 2 253 . 23 LYS HE3 H 2.472 0.02 2 254 . 24 THR H H 8.202 0.02 1 255 . 24 THR N N 108.702 0.05 1 256 . 24 THR CA C 65.189 0.05 1 257 . 24 THR HA H 3.957 0.02 1 258 . 24 THR C C 175.575 0.05 1 259 . 24 THR CB C 68.250 0.05 1 260 . 24 THR HB H 4.189 0.02 1 261 . 24 THR CG2 C 22.713 0.05 1 262 . 24 THR HG2 H 1.313 0.02 1 263 . 25 ARG H H 6.867 0.02 1 264 . 25 ARG N N 120.014 0.05 1 265 . 25 ARG CA C 58.216 0.05 1 266 . 25 ARG HA H 4.281 0.02 1 267 . 25 ARG C C 178.761 0.05 1 268 . 25 ARG CB C 30.320 0.05 1 269 . 25 ARG HB2 H 1.942 0.02 2 270 . 25 ARG HB3 H 1.887 0.02 2 271 . 25 ARG CG C 27.151 0.05 1 272 . 25 ARG HG2 H 1.662 0.02 2 273 . 25 ARG HG3 H 1.711 0.02 2 274 . 25 ARG CD C 43.000 0.05 1 275 . 25 ARG HD2 H 3.254 0.02 1 276 . 25 ARG HD3 H 3.254 0.02 1 277 . 26 ILE H H 7.462 0.02 1 278 . 26 ILE N N 121.602 0.05 1 279 . 26 ILE CA C 65.189 0.05 1 280 . 26 ILE HA H 3.414 0.02 1 281 . 26 ILE C C 176.340 0.05 1 282 . 26 ILE CB C 37.928 0.05 1 283 . 26 ILE HB H 1.692 0.02 1 284 . 26 ILE CG2 C 18.909 0.05 2 285 . 26 ILE HG2 H 0.617 0.02 1 286 . 26 ILE CG1 C 29.052 0.05 2 287 . 26 ILE CD1 C 14.471 0.05 1 288 . 26 ILE HD1 H 0.513 0.02 1 289 . 27 MET H H 7.943 0.02 1 290 . 27 MET N N 118.427 0.05 1 291 . 27 MET CA C 58.849 0.05 1 292 . 27 MET HA H 3.888 0.02 1 293 . 27 MET C C 177.675 0.05 1 294 . 27 MET CB C 33.490 0.05 1 295 . 27 MET HB2 H 2.097 0.02 2 296 . 27 MET HB3 H 1.890 0.02 2 297 . 27 MET CG C 30.954 0.05 1 298 . 27 MET HG2 H 2.322 0.02 2 299 . 27 MET HG3 H 2.167 0.02 2 300 . 28 TYR H H 7.655 0.02 1 301 . 28 TYR N N 116.193 0.05 1 302 . 28 TYR CA C 59.483 0.05 1 303 . 28 TYR HA H 4.410 0.02 1 304 . 28 TYR C C 178.953 0.05 1 305 . 28 TYR CB C 37.928 0.05 1 306 . 28 TYR HB2 H 3.039 0.02 2 307 . 28 TYR HB3 H 3.021 0.02 2 308 . 28 TYR CD1 C 132.615 0.05 1 309 . 28 TYR HD1 H 7.140 0.02 1 310 . 28 TYR CD2 C 132.615 0.05 1 311 . 28 TYR HD2 H 7.140 0.02 1 312 . 28 TYR CE1 C 117.800 0.05 1 313 . 28 TYR HE1 H 6.780 0.02 1 314 . 28 TYR CE2 C 117.800 0.05 1 315 . 28 TYR HE2 H 6.780 0.02 1 316 . 29 GLY H H 8.321 0.02 1 317 . 29 GLY N N 108.243 0.05 1 318 . 29 GLY CA C 47.000 0.05 1 319 . 29 GLY HA2 H 3.798 0.02 1 320 . 29 GLY HA3 H 3.798 0.02 1 321 . 29 GLY C C 174.587 0.05 1 322 . 30 ALA H H 7.964 0.02 1 323 . 30 ALA N N 119.956 0.05 1 324 . 30 ALA CA C 51.242 0.05 1 325 . 30 ALA HA H 4.135 0.02 1 326 . 30 ALA C C 175.432 0.05 1 327 . 30 ALA CB C 18.909 0.05 1 328 . 30 ALA HB H 1.110 0.02 1 329 . 31 ASN H H 7.662 0.02 1 330 . 31 ASN N N 115.938 0.05 1 331 . 31 ASN CA C 53.778 0.05 1 332 . 31 ASN HA H 4.287 0.02 1 333 . 31 ASN C C 173.765 0.05 1 334 . 31 ASN CB C 37.294 0.05 1 335 . 31 ASN HB2 H 3.028 0.02 2 336 . 31 ASN HB3 H 2.503 0.02 2 337 . 32 LEU H H 7.735 0.02 1 338 . 32 LEU N N 117.966 0.05 1 339 . 32 LEU CA C 52.510 0.05 1 340 . 32 LEU HA H 4.656 0.02 1 341 . 32 LEU C C 176.746 0.05 1 342 . 32 LEU CB C 46.170 0.05 1 343 . 32 LEU HB2 H 1.590 0.02 2 344 . 32 LEU HB3 H 1.372 0.02 2 345 . 32 LEU CG C 25.773 0.05 1 346 . 32 LEU CD1 C 22.713 0.05 2 347 . 32 LEU HD1 H 0.715 0.02 2 348 . 32 LEU CD2 C 25.883 0.05 2 349 . 32 LEU HD2 H 0.505 0.02 2 350 . 32 LEU HG H 1.352 0.02 1 351 . 33 SER H H 7.666 0.02 1 352 . 33 SER N N 113.841 0.05 1 353 . 33 SER CA C 57.000 0.05 1 354 . 33 SER HA H 4.449 0.02 1 355 . 33 SER C C 176.225 0.05 1 356 . 33 SER CB C 65.125 0.05 1 357 . 33 SER HB2 H 4.279 0.02 1 358 . 33 SER HB3 H 4.279 0.02 1 359 . 34 TYR H H 9.331 0.02 1 360 . 34 TYR N N 126.441 0.05 1 361 . 34 TYR CA C 62.653 0.05 1 362 . 34 TYR HA H 4.075 0.02 1 363 . 34 TYR C C 178.785 0.05 1 364 . 34 TYR CB C 38.562 0.05 1 365 . 34 TYR HB2 H 3.129 0.02 2 366 . 34 TYR HB3 H 2.961 0.02 2 367 . 34 TYR CD1 C 132.615 0.05 1 368 . 34 TYR HD1 H 7.149 0.02 1 369 . 34 TYR CD2 C 132.615 0.05 1 370 . 34 TYR HD2 H 7.149 0.02 1 371 . 34 TYR CE1 C 118.020 0.05 1 372 . 34 TYR HE1 H 6.782 0.02 1 373 . 34 TYR CE2 C 118.020 0.05 1 374 . 34 TYR HE2 H 6.782 0.02 1 375 . 35 ALA H H 8.828 0.02 1 376 . 35 ALA N N 121.953 0.05 1 377 . 35 ALA CA C 55.125 0.05 1 378 . 35 ALA HA H 3.991 0.02 1 379 . 35 ALA C C 180.784 0.05 1 380 . 35 ALA CB C 18.875 0.05 1 381 . 35 ALA HB H 1.383 0.02 1 382 . 36 LEU H H 7.846 0.02 1 383 . 36 LEU N N 119.548 0.05 1 384 . 36 LEU CA C 57.582 0.05 1 385 . 36 LEU HA H 4.029 0.02 1 386 . 36 LEU C C 178.916 0.05 1 387 . 36 LEU CB C 42.366 0.05 1 388 . 36 LEU HB2 H 1.740 0.02 2 389 . 36 LEU HB3 H 1.634 0.02 2 390 . 36 LEU CG C 27.784 0.05 1 391 . 36 LEU CD1 C 24.615 0.05 2 392 . 36 LEU HD1 H 0.941 0.02 2 393 . 36 LEU CD2 C 24.970 0.05 2 394 . 36 LEU HD2 H 0.940 0.02 2 395 . 36 LEU HG H 1.620 0.02 1 396 . 37 THR H H 8.271 0.02 1 397 . 37 THR N N 116.719 0.05 1 398 . 37 THR CA C 68.878 0.05 1 399 . 37 THR HA H 3.505 0.02 1 400 . 37 THR C C 176.300 0.05 1 401 . 37 THR CB C 67.836 0.05 1 402 . 37 THR HB H 3.964 0.02 1 403 . 37 THR HG2 H 0.828 0.02 1 404 . 38 GLY H H 7.610 0.02 1 405 . 38 GLY N N 106.169 0.05 1 406 . 38 GLY CA C 47.625 0.05 1 407 . 38 GLY HA2 H 3.422 0.02 2 408 . 38 GLY HA3 H 3.896 0.02 2 409 . 38 GLY C C 175.991 0.05 1 410 . 39 ARG H H 7.535 0.02 1 411 . 39 ARG N N 122.022 0.05 1 412 . 39 ARG CA C 58.849 0.05 1 413 . 39 ARG HA H 3.944 0.02 1 414 . 39 ARG C C 179.332 0.05 1 415 . 39 ARG CB C 30.320 0.05 1 416 . 39 ARG HB2 H 1.831 0.02 2 417 . 39 ARG HB3 H 1.754 0.02 2 418 . 39 ARG CG C 27.151 0.05 1 419 . 39 ARG HG2 H 1.586 0.02 2 420 . 39 ARG HG3 H 1.369 0.02 2 421 . 39 ARG CD C 43.634 0.05 1 422 . 39 ARG HD2 H 2.957 0.02 1 423 . 39 ARG HD3 H 2.957 0.02 1 424 . 40 TYR H H 8.214 0.02 1 425 . 40 TYR N N 118.912 0.05 1 426 . 40 TYR CA C 62.653 0.05 1 427 . 40 TYR HA H 3.992 0.02 1 428 . 40 TYR C C 178.106 0.05 1 429 . 40 TYR CB C 38.562 0.05 1 430 . 40 TYR HB2 H 2.717 0.02 2 431 . 40 TYR HB3 H 2.516 0.02 2 432 . 40 TYR CD1 C 131.994 0.05 1 433 . 40 TYR HD1 H 6.971 0.02 1 434 . 40 TYR CD2 C 131.994 0.05 1 435 . 40 TYR HD2 H 6.971 0.02 1 436 . 40 TYR CE1 C 117.237 0.05 1 437 . 40 TYR HE1 H 6.619 0.02 1 438 . 40 TYR CE2 C 117.237 0.05 1 439 . 40 TYR HE2 H 6.619 0.02 1 440 . 41 ILE H H 8.399 0.02 1 441 . 41 ILE N N 119.082 0.05 1 442 . 41 ILE CA C 65.823 0.05 1 443 . 41 ILE HA H 3.313 0.02 1 444 . 41 ILE C C 176.956 0.05 1 445 . 41 ILE CB C 37.294 0.05 1 446 . 41 ILE HB H 1.609 0.02 1 447 . 41 ILE CG2 C 17.641 0.05 2 448 . 41 ILE HG2 H 0.378 0.02 1 449 . 41 ILE CG1 C 29.052 0.05 2 450 . 41 ILE HG12 H 1.400 0.02 2 451 . 41 ILE HG13 H 0.379 0.02 2 452 . 41 ILE CD1 C 13.837 0.05 1 453 . 41 ILE HD1 H 0.137 0.02 1 454 . 42 LYS H H 7.656 0.02 1 455 . 42 LYS N N 119.249 0.05 1 456 . 42 LYS CA C 59.483 0.05 1 457 . 42 LYS HA H 3.904 0.02 1 458 . 42 LYS C C 177.511 0.05 1 459 . 42 LYS CB C 32.222 0.05 1 460 . 42 LYS HB2 H 1.766 0.02 2 461 . 42 LYS HB3 H 1.737 0.02 2 462 . 42 LYS CG C 24.615 0.05 1 463 . 42 LYS HG2 H 1.352 0.02 1 464 . 42 LYS HG3 H 1.352 0.02 1 465 . 42 LYS CD C 28.418 0.05 1 466 . 42 LYS HD2 H 1.511 0.02 2 467 . 42 LYS CE C 42.366 0.05 1 468 . 42 LYS HE2 H 2.950 0.02 1 469 . 42 LYS HE3 H 2.950 0.02 1 470 . 43 MET H H 7.556 0.02 1 471 . 43 MET N N 117.655 0.05 1 472 . 43 MET CA C 58.849 0.05 1 473 . 43 MET HA H 4.034 0.02 1 474 . 43 MET C C 177.961 0.05 1 475 . 43 MET CB C 32.856 0.05 1 476 . 43 MET HB2 H 2.119 0.02 2 477 . 43 MET CG C 30.954 0.05 1 478 . 43 MET HG2 H 2.627 0.02 2 479 . 43 MET HG3 H 2.238 0.02 2 480 . 44 LEU H H 8.148 0.02 1 481 . 44 LEU N N 116.662 0.05 1 482 . 44 LEU CA C 57.582 0.05 1 483 . 44 LEU HA H 3.946 0.02 1 484 . 44 LEU CB C 41.732 0.05 1 485 . 44 LEU CD1 C 22.079 0.05 2 486 . 45 MET H H 8.847 0.02 1 487 . 45 MET N N 123.023 0.05 1 488 . 45 MET CA C 58.849 0.05 1 489 . 45 MET HA H 4.421 0.02 1 490 . 45 MET C C 181.028 0.05 1 491 . 45 MET CB C 32.856 0.05 1 492 . 45 MET HB2 H 2.225 0.02 2 493 . 45 MET CG C 32.180 0.05 1 494 . 45 MET HG2 H 2.639 0.02 2 495 . 45 MET HG3 H 2.338 0.02 2 496 . 46 ASP H H 8.896 0.02 1 497 . 46 ASP N N 124.408 0.05 1 498 . 46 ASP CA C 57.625 0.05 1 499 . 46 ASP HA H 4.392 0.02 1 500 . 46 ASP C C 178.500 0.05 1 501 . 46 ASP CB C 39.500 0.05 1 502 . 46 ASP HB2 H 2.890 0.02 2 503 . 46 ASP HB3 H 2.591 0.02 2 504 . 47 LEU H H 7.306 0.02 1 505 . 47 LEU N N 117.024 0.05 1 506 . 47 LEU CA C 54.412 0.05 1 507 . 47 LEU HA H 4.362 0.02 1 508 . 47 LEU C C 175.552 0.05 1 509 . 47 LEU CB C 43.634 0.05 1 510 . 47 LEU HB2 H 1.636 0.02 2 511 . 47 LEU HB3 H 1.635 0.02 2 512 . 47 LEU CG C 26.517 0.05 1 513 . 47 LEU CD1 C 26.517 0.05 2 514 . 47 LEU HD1 H 0.854 0.02 2 515 . 47 LEU CD2 C 22.079 0.05 2 516 . 47 LEU HD2 H 0.851 0.02 2 517 . 47 LEU HG H 1.816 0.02 1 518 . 48 GLU H H 8.218 0.02 1 519 . 48 GLU N N 115.053 0.05 1 520 . 48 GLU CA C 57.582 0.05 1 521 . 48 GLU HA H 4.021 0.02 1 522 . 48 GLU C C 175.879 0.05 1 523 . 48 GLU CB C 26.517 0.05 1 524 . 48 GLU CG C 37.171 0.05 1 525 . 48 GLU HG2 H 2.203 0.02 2 526 . 48 GLU CD C 182.690 0.05 1 527 . 49 ILE H H 8.475 0.02 1 528 . 49 ILE N N 120.001 0.05 1 529 . 49 ILE CA C 62.653 0.05 1 530 . 49 ILE HA H 3.529 0.02 1 531 . 49 ILE C C 174.502 0.05 1 532 . 49 ILE CB C 38.562 0.05 1 533 . 49 ILE HB H 1.832 0.02 1 534 . 49 ILE CG2 C 20.177 0.05 2 535 . 49 ILE HG2 H 0.882 0.02 1 536 . 49 ILE CG1 C 29.052 0.05 2 537 . 49 ILE HG12 H 1.468 0.02 2 538 . 49 ILE HG13 H 0.814 0.02 2 539 . 49 ILE CD1 C 13.837 0.05 1 540 . 49 ILE HD1 H 0.679 0.02 1 541 . 50 ILE H H 6.858 0.02 1 542 . 50 ILE N N 111.143 0.05 1 543 . 50 ILE CA C 58.216 0.05 1 544 . 50 ILE HA H 5.191 0.02 1 545 . 50 ILE C C 173.395 0.05 1 546 . 50 ILE CB C 41.732 0.05 1 547 . 50 ILE HB H 1.782 0.02 1 548 . 50 ILE CG2 C 18.275 0.05 2 549 . 50 ILE HG2 H 0.837 0.02 1 550 . 50 ILE CG1 C 25.249 0.05 2 551 . 50 ILE HG12 H 0.665 0.02 2 552 . 50 ILE HG13 H 1.168 0.02 2 553 . 50 ILE CD1 C 13.837 0.05 1 554 . 50 ILE HD1 H 0.620 0.02 1 555 . 51 ARG H H 9.270 0.02 1 556 . 51 ARG N N 119.050 0.05 1 557 . 51 ARG CA C 53.778 0.05 1 558 . 51 ARG HA H 4.793 0.02 1 559 . 51 ARG C C 172.943 0.05 1 560 . 51 ARG CB C 32.856 0.05 1 561 . 51 ARG HB2 H 1.760 0.02 2 562 . 51 ARG HB3 H 1.462 0.02 2 563 . 51 ARG CG C 26.517 0.05 1 564 . 51 ARG HG2 H 1.210 0.02 2 565 . 51 ARG HG3 H 0.723 0.02 2 566 . 51 ARG CD C 42.962 0.05 1 567 . 51 ARG HD2 H 3.108 0.02 2 568 . 51 ARG HD3 H 2.977 0.02 2 569 . 52 GLN H H 8.858 0.02 1 570 . 52 GLN N N 123.025 0.05 1 571 . 52 GLN CA C 54.412 0.05 1 572 . 52 GLN HA H 4.620 0.02 1 573 . 52 GLN C C 174.956 0.05 1 574 . 52 GLN CB C 30.320 0.05 1 575 . 52 GLN HB2 H 1.775 0.02 2 576 . 52 GLN CG C 32.856 0.05 1 577 . 52 GLN HG3 H 1.652 0.02 2 578 . 53 GLU H H 8.725 0.02 1 579 . 53 GLU N N 128.958 0.05 1 580 . 53 GLU CA C 55.046 0.05 1 581 . 53 GLU HA H 4.387 0.02 1 582 . 53 GLU C C 175.856 0.05 1 583 . 53 GLU CB C 30.954 0.05 1 584 . 53 GLU HB2 H 1.784 0.02 2 585 . 53 GLU HB3 H 1.605 0.02 2 586 . 53 GLU CG C 36.026 0.05 1 587 . 53 GLU HG2 H 2.022 0.02 1 588 . 53 GLU HG3 H 2.022 0.02 1 589 . 53 GLU CD C 182.473 0.05 1 590 . 54 GLY H H 8.957 0.02 1 591 . 54 GLY N N 117.351 0.05 1 592 . 54 GLY CA C 47.000 0.05 1 593 . 54 GLY HA2 H 3.521 0.02 2 594 . 54 GLY HA3 H 3.892 0.02 2 595 . 54 GLY C C 174.666 0.05 1 596 . 55 LYS H H 8.855 0.02 1 597 . 55 LYS N N 125.988 0.05 1 598 . 55 LYS CA C 55.680 0.05 1 599 . 55 LYS HA H 4.198 0.02 1 600 . 55 LYS C C 175.431 0.05 1 601 . 55 LYS CB C 32.856 0.05 1 602 . 55 LYS HB2 H 1.981 0.02 2 603 . 55 LYS HB3 H 1.691 0.02 2 604 . 55 LYS CG C 24.615 0.05 1 605 . 55 LYS HG2 H 1.383 0.02 1 606 . 55 LYS HG3 H 1.383 0.02 1 607 . 55 LYS CD C 29.052 0.05 1 608 . 55 LYS HD2 H 1.640 0.02 2 609 . 55 LYS HD3 H 1.562 0.02 2 610 . 55 LYS CE C 42.366 0.05 1 611 . 55 LYS HE2 H 2.936 0.02 1 612 . 55 LYS HE3 H 2.936 0.02 1 613 . 56 GLN H H 7.695 0.02 1 614 . 56 GLN N N 117.076 0.05 1 615 . 56 GLN CA C 54.412 0.05 1 616 . 56 GLN HA H 4.309 0.02 1 617 . 56 GLN C C 173.404 0.05 1 618 . 56 GLN CB C 32.222 0.05 1 619 . 56 GLN HB2 H 1.895 0.02 2 620 . 56 GLN HB3 H 1.750 0.02 2 621 . 56 GLN CG C 34.124 0.05 1 622 . 56 GLN HG2 H 2.203 0.02 2 623 . 56 GLN HG3 H 2.023 0.02 2 624 . 57 TYR H H 8.480 0.02 1 625 . 57 TYR N N 120.001 0.05 1 626 . 57 TYR CA C 57.582 0.05 1 627 . 57 TYR HA H 5.069 0.02 1 628 . 57 TYR C C 174.957 0.05 1 629 . 57 TYR CB C 40.464 0.05 1 630 . 57 TYR HB2 H 2.878 0.02 2 631 . 57 TYR HB3 H 2.710 0.02 2 632 . 57 TYR CD1 C 132.386 0.05 1 633 . 57 TYR HD1 H 6.937 0.02 1 634 . 57 TYR CD2 C 132.386 0.05 1 635 . 57 TYR HD2 H 6.937 0.02 1 636 . 57 TYR CE1 C 117.498 0.05 1 637 . 57 TYR HE1 H 6.669 0.02 1 638 . 57 TYR CE2 C 117.498 0.05 1 639 . 57 TYR HE2 H 6.669 0.02 1 640 . 58 MET H H 8.900 0.02 1 641 . 58 MET N N 119.079 0.05 1 642 . 58 MET CA C 53.778 0.05 1 643 . 58 MET HA H 5.306 0.02 1 644 . 58 MET C C 175.595 0.05 1 645 . 58 MET CB C 36.660 0.05 1 646 . 58 MET HB2 H 2.130 0.02 2 647 . 58 MET HB3 H 1.614 0.02 2 648 . 58 MET CG C 32.856 0.05 1 649 . 58 MET HG2 H 2.346 0.02 1 650 . 58 MET HG3 H 2.346 0.02 1 651 . 59 LEU H H 8.376 0.02 1 652 . 59 LEU N N 119.858 0.05 1 653 . 59 LEU CA C 55.046 0.05 1 654 . 59 LEU HA H 4.695 0.02 1 655 . 59 LEU C C 178.994 0.05 1 656 . 59 LEU CB C 43.000 0.05 1 657 . 59 LEU HB2 H 1.714 0.02 2 658 . 59 LEU HB3 H 1.697 0.02 2 659 . 59 LEU CG C 25.243 0.05 1 660 . 59 LEU CD1 C 26.518 0.05 2 661 . 59 LEU HD1 H 0.840 0.02 2 662 . 59 LEU HD2 H 0.851 0.02 2 663 . 59 LEU HG H 1.510 0.02 1 664 . 60 THR H H 7.508 0.02 1 665 . 60 THR N N 112.269 0.05 1 666 . 60 THR CA C 60.117 0.05 1 667 . 60 THR HA H 4.504 0.02 1 668 . 60 THR C C 175.182 0.05 1 669 . 60 THR CB C 70.750 0.05 1 670 . 60 THR HB H 4.704 0.02 1 671 . 60 THR CG2 C 21.445 0.05 1 672 . 60 THR HG2 H 0.877 0.02 1 673 . 61 LYS H H 8.818 0.02 1 674 . 61 LYS N N 122.037 0.05 1 675 . 61 LYS CA C 60.117 0.05 1 676 . 61 LYS HA H 4.063 0.02 1 677 . 61 LYS C C 178.870 0.05 1 678 . 61 LYS CB C 31.588 0.05 1 679 . 61 LYS HB2 H 1.832 0.02 1 680 . 61 LYS HB3 H 1.832 0.02 1 681 . 61 LYS CG C 24.615 0.05 1 682 . 61 LYS HG2 H 1.461 0.02 2 683 . 61 LYS HG3 H 1.466 0.02 2 684 . 61 LYS CD C 28.418 0.05 1 685 . 61 LYS HD2 H 1.651 0.02 2 686 . 61 LYS CE C 41.732 0.05 1 687 . 61 LYS HE2 H 2.935 0.02 1 688 . 61 LYS HE3 H 2.935 0.02 1 689 . 62 LYS H H 8.165 0.02 1 690 . 62 LYS N N 120.199 0.05 1 691 . 62 LYS CA C 59.483 0.05 1 692 . 62 LYS HA H 4.080 0.02 1 693 . 62 LYS C C 179.668 0.05 1 694 . 62 LYS CB C 32.856 0.05 1 695 . 62 LYS HB2 H 1.893 0.02 2 696 . 62 LYS CG C 24.615 0.05 1 697 . 62 LYS HG2 H 1.047 0.02 2 698 . 62 LYS CD C 29.686 0.05 1 699 . 62 LYS HD2 H 1.644 0.02 2 700 . 62 LYS HD3 H 1.504 0.02 2 701 . 62 LYS CE C 42.366 0.05 1 702 . 62 LYS HE2 H 2.960 0.02 2 703 . 62 LYS HE3 H 2.727 0.02 2 704 . 63 GLY H H 8.055 0.02 1 705 . 63 GLY N N 108.483 0.05 1 706 . 63 GLY CA C 48.875 0.05 1 707 . 63 GLY HA2 H 3.813 0.02 2 708 . 63 GLY HA3 H 4.310 0.02 2 709 . 63 GLY C C 174.836 0.05 1 710 . 64 GLU H H 8.765 0.02 1 711 . 64 GLU N N 123.005 0.05 1 712 . 64 GLU CA C 60.117 0.05 1 713 . 64 GLU HA H 3.902 0.02 1 714 . 64 GLU C C 179.439 0.05 1 715 . 64 GLU CB C 29.686 0.05 1 716 . 64 GLU HB2 H 2.124 0.02 2 717 . 64 GLU CG C 36.660 0.05 1 718 . 64 GLU HG2 H 2.355 0.02 2 719 . 64 GLU HG3 H 2.174 0.02 2 720 . 65 GLU H H 7.907 0.02 1 721 . 65 GLU N N 120.106 0.05 1 722 . 65 GLU CA C 58.849 0.05 1 723 . 65 GLU HA H 3.936 0.02 1 724 . 65 GLU C C 178.190 0.05 1 725 . 65 GLU CB C 29.052 0.05 1 726 . 65 GLU HB2 H 2.183 0.02 2 727 . 65 GLU HB3 H 2.041 0.02 2 728 . 65 GLU CG C 36.026 0.05 1 729 . 65 GLU HG2 H 2.376 0.02 2 730 . 65 GLU HG3 H 2.157 0.02 2 731 . 65 GLU CD C 182.683 0.05 1 732 . 66 LEU H H 7.965 0.02 1 733 . 66 LEU N N 119.956 0.05 1 734 . 66 LEU CA C 57.582 0.05 1 735 . 66 LEU HA H 4.266 0.02 1 736 . 66 LEU C C 178.099 0.05 1 737 . 66 LEU CB C 41.098 0.05 1 738 . 66 LEU HB2 H 1.886 0.02 2 739 . 66 LEU HB3 H 1.549 0.02 2 740 . 66 LEU CG C 27.151 0.05 1 741 . 66 LEU CD1 C 27.151 0.05 2 742 . 66 LEU HD1 H 0.943 0.02 2 743 . 66 LEU CD2 C 23.347 0.05 2 744 . 66 LEU HD2 H 0.818 0.02 2 745 . 66 LEU HG H 1.454 0.02 1 746 . 67 LEU H H 8.470 0.02 1 747 . 67 LEU N N 119.157 0.05 1 748 . 67 LEU CA C 58.216 0.05 1 749 . 67 LEU HA H 3.910 0.02 1 750 . 67 LEU C C 175.405 0.05 1 751 . 67 LEU CB C 40.464 0.05 1 752 . 67 LEU HB2 H 2.058 0.02 2 753 . 67 LEU HB3 H 1.370 0.02 2 754 . 67 LEU CG C 27.218 0.05 1 755 . 67 LEU CD1 C 22.713 0.05 2 756 . 67 LEU HD1 H 1.006 0.02 2 757 . 67 LEU CD2 C 25.883 0.05 2 758 . 67 LEU HD2 H 0.784 0.02 2 759 . 67 LEU HG H 1.450 0.02 1 760 . 68 GLU H H 7.667 0.02 1 761 . 68 GLU N N 117.772 0.05 1 762 . 68 GLU CA C 58.849 0.05 1 763 . 68 GLU HA H 4.043 0.02 1 764 . 68 GLU C C 179.037 0.05 1 765 . 68 GLU CB C 29.052 0.05 1 766 . 68 GLU HB2 H 2.077 0.02 2 767 . 68 GLU CG C 36.026 0.05 1 768 . 68 GLU HG2 H 2.321 0.02 2 769 . 68 GLU HG3 H 2.300 0.02 2 770 . 68 GLU CD C 182.689 0.05 1 771 . 69 ASP H H 8.179 0.02 1 772 . 69 ASP N N 121.251 0.05 1 773 . 69 ASP CA C 58.253 0.05 1 774 . 69 ASP HA H 4.490 0.02 1 775 . 69 ASP C C 178.437 0.05 1 776 . 69 ASP CB C 39.906 0.05 1 777 . 69 ASP HB2 H 2.896 0.02 2 778 . 69 ASP HB3 H 2.309 0.02 2 779 . 70 ILE H H 8.791 0.02 1 780 . 70 ILE N N 121.222 0.05 1 781 . 70 ILE CA C 66.457 0.05 1 782 . 70 ILE HA H 3.530 0.02 1 783 . 70 ILE C C 177.628 0.05 1 784 . 70 ILE CB C 38.562 0.05 1 785 . 70 ILE HB H 1.796 0.02 1 786 . 70 ILE CG2 C 17.641 0.05 2 787 . 70 ILE HG2 H 0.807 0.02 1 788 . 70 ILE CG1 C 29.686 0.05 2 789 . 70 ILE HG12 H 0.753 0.02 2 790 . 70 ILE CD1 C 13.837 0.05 1 791 . 70 ILE HD1 H 0.655 0.02 1 792 . 71 ARG H H 8.624 0.02 1 793 . 71 ARG N N 120.148 0.05 1 794 . 71 ARG CA C 60.117 0.05 1 795 . 71 ARG HA H 3.941 0.02 1 796 . 71 ARG C C 180.053 0.05 1 797 . 71 ARG CB C 30.320 0.05 1 798 . 71 ARG HB2 H 1.886 0.02 2 799 . 71 ARG HB3 H 1.792 0.02 2 800 . 71 ARG CG C 27.784 0.05 1 801 . 71 ARG HG2 H 1.509 0.02 2 802 . 71 ARG HG3 H 1.514 0.02 2 803 . 71 ARG CD C 43.634 0.05 1 804 . 71 ARG HD2 H 3.097 0.02 2 805 . 71 ARG HD3 H 3.039 0.02 2 806 . 72 LYS H H 8.340 0.02 1 807 . 72 LYS N N 120.448 0.05 1 808 . 72 LYS CA C 59.483 0.05 1 809 . 72 LYS HA H 3.987 0.02 1 810 . 72 LYS C C 178.712 0.05 1 811 . 72 LYS CB C 32.222 0.05 1 812 . 72 LYS HB2 H 2.035 0.02 2 813 . 72 LYS HB3 H 1.883 0.02 2 814 . 72 LYS CG C 25.249 0.05 1 815 . 72 LYS HG2 H 1.408 0.02 2 816 . 72 LYS CD C 29.052 0.05 1 817 . 72 LYS HD2 H 1.658 0.02 2 818 . 72 LYS CE C 41.642 0.05 1 819 . 72 LYS HE2 H 2.923 0.02 2 820 . 72 LYS HE3 H 2.920 0.02 2 821 . 73 PHE H H 8.805 0.02 1 822 . 73 PHE N N 122.944 0.05 1 823 . 73 PHE CA C 62.019 0.05 1 824 . 73 PHE HA H 3.949 0.02 1 825 . 73 PHE C C 176.558 0.05 1 826 . 73 PHE CB C 39.196 0.05 1 827 . 73 PHE HB2 H 3.291 0.02 2 828 . 73 PHE HB3 H 3.013 0.02 2 829 . 73 PHE CD1 C 132.778 0.05 1 830 . 73 PHE HD1 H 6.798 0.02 1 831 . 73 PHE CD2 C 132.778 0.05 1 832 . 73 PHE HD2 H 6.798 0.02 1 833 . 73 PHE CE1 C 131.145 0.05 1 834 . 73 PHE HE1 H 7.307 0.02 1 835 . 73 PHE CE2 C 131.145 0.05 1 836 . 73 PHE HE2 H 7.307 0.02 1 837 . 73 PHE CZ C 132.647 0.05 1 838 . 73 PHE HZ H 7.127 0.02 1 839 . 74 ASN H H 8.709 0.02 1 840 . 74 ASN N N 117.815 0.05 1 841 . 74 ASN CA C 55.680 0.05 1 842 . 74 ASN HA H 4.250 0.02 1 843 . 74 ASN C C 178.644 0.05 1 844 . 74 ASN CB C 37.294 0.05 1 845 . 74 ASN HB2 H 2.923 0.02 2 846 . 74 ASN HB3 H 2.735 0.02 2 847 . 75 GLU H H 8.039 0.02 1 848 . 75 GLU N N 122.134 0.05 1 849 . 75 GLU CA C 59.483 0.05 1 850 . 75 GLU HA H 4.001 0.02 1 851 . 75 GLU C C 178.409 0.05 1 852 . 75 GLU CB C 29.052 0.05 1 853 . 75 GLU HB2 H 2.066 0.02 2 854 . 75 GLU CG C 36.026 0.05 1 855 . 75 GLU HG2 H 2.246 0.02 2 856 . 75 GLU CD C 182.683 0.05 1 857 . 76 MET H H 8.408 0.02 1 858 . 76 MET N N 120.005 0.05 1 859 . 76 MET CA C 59.483 0.05 1 860 . 76 MET HA H 4.027 0.02 1 861 . 76 MET C C 178.026 0.05 1 862 . 76 MET CB C 32.856 0.05 1 863 . 76 MET HB2 H 2.146 0.02 2 864 . 76 MET HB3 H 1.863 0.02 2 865 . 76 MET CG C 32.856 0.05 1 866 . 76 MET HG2 H 2.687 0.02 2 867 . 76 MET HG3 H 2.429 0.02 2 868 . 77 ARG H H 8.219 0.02 1 869 . 77 ARG N N 119.432 0.05 1 870 . 77 ARG CA C 59.483 0.05 1 871 . 77 ARG HA H 3.650 0.02 1 872 . 77 ARG C C 178.020 0.05 1 873 . 77 ARG CB C 29.686 0.05 1 874 . 77 ARG HB2 H 1.741 0.02 2 875 . 77 ARG HB3 H 1.441 0.02 2 876 . 77 ARG CG C 26.517 0.05 1 877 . 77 ARG HG2 H 1.410 0.02 2 878 . 77 ARG CD C 43.634 0.05 1 879 . 77 ARG HD2 H 2.894 0.02 2 880 . 77 ARG HD3 H 3.006 0.02 2 881 . 78 LYS H H 7.351 0.02 1 882 . 78 LYS N N 118.758 0.05 1 883 . 78 LYS CA C 59.483 0.05 1 884 . 78 LYS HA H 4.037 0.02 1 885 . 78 LYS C C 179.385 0.05 1 886 . 78 LYS CB C 31.588 0.05 1 887 . 78 LYS HB2 H 1.852 0.02 1 888 . 78 LYS HB3 H 1.852 0.02 1 889 . 78 LYS CG C 24.615 0.05 1 890 . 78 LYS HG2 H 1.325 0.02 1 891 . 78 LYS HG3 H 1.325 0.02 1 892 . 78 LYS CD C 29.052 0.05 1 893 . 78 LYS HD2 H 1.626 0.02 2 894 . 78 LYS HD3 H 1.511 0.02 2 895 . 78 LYS CE C 41.732 0.05 1 896 . 78 LYS HE2 H 2.872 0.02 1 897 . 78 LYS HE3 H 2.872 0.02 1 898 . 79 ASN H H 8.096 0.02 1 899 . 79 ASN N N 118.756 0.05 1 900 . 79 ASN CA C 47.000 0.05 1 901 . 79 ASN HA H 4.4370 0.02 1 902 . 79 ASN C C 178.352 0.05 1 903 . 79 ASN CB C 37.928 0.05 1 904 . 79 ASN HB2 H 2.862 0.02 2 905 . 79 ASN HB3 H 2.671 0.02 2 906 . 80 MET H H 9.109 0.02 1 907 . 80 MET N N 123.055 0.05 1 908 . 80 MET CA C 59.483 0.05 1 909 . 80 MET HA H 4.077 0.02 1 910 . 80 MET C C 177.763 0.05 1 911 . 80 MET CB C 32.856 0.05 1 912 . 80 MET HB2 H 2.220 0.02 2 913 . 80 MET HB3 H 2.084 0.02 2 914 . 80 MET CG C 32.856 0.05 1 915 . 80 MET HG2 H 2.477 0.02 2 916 . 80 MET HG3 H 2.347 0.02 2 917 . 81 ASP H H 8.287 0.02 1 918 . 81 ASP N N 120.777 0.05 1 919 . 81 ASP CA C 57.625 0.05 1 920 . 81 ASP HA H 4.447 0.02 1 921 . 81 ASP C C 179.186 0.05 1 922 . 81 ASP CB C 40.125 0.05 1 923 . 81 ASP HB2 H 2.782 0.02 2 924 . 81 ASP HB3 H 2.630 0.02 2 925 . 81 ASP CG C 178.159 0.05 1 926 . 82 GLN H H 7.734 0.02 1 927 . 82 GLN N N 119.049 0.05 1 928 . 82 GLN CA C 58.849 0.05 1 929 . 82 GLN HA H 4.066 0.02 1 930 . 82 GLN C C 178.848 0.05 1 931 . 82 GLN CB C 28.418 0.05 1 932 . 82 GLN HB2 H 2.126 0.02 2 933 . 82 GLN CG C 34.124 0.05 1 934 . 82 GLN HG2 H 2.534 0.02 2 935 . 82 GLN HG3 H 2.329 0.02 2 936 . 83 LEU H H 8.026 0.02 1 937 . 83 LEU N N 122.835 0.05 1 938 . 83 LEU CA C 57.582 0.05 1 939 . 83 LEU HA H 4.136 0.02 1 940 . 83 LEU C C 178.098 0.05 1 941 . 83 LEU CB C 42.366 0.05 1 942 . 83 LEU HB2 H 1.837 0.02 2 943 . 83 LEU HB3 H 1.810 0.02 2 944 . 83 LEU CG C 27.784 0.05 1 945 . 83 LEU CD1 C 25.249 0.05 2 946 . 83 LEU HD1 H 1.021 0.02 2 947 . 83 LEU CD2 C 23.920 0.05 2 948 . 83 LEU HD2 H 0.959 0.02 2 949 . 83 LEU HG H 1.661 0.02 1 950 . 84 LYS H H 8.816 0.02 1 951 . 84 LYS N N 120.021 0.05 1 952 . 84 LYS CA C 59.483 0.05 1 953 . 84 LYS HA H 3.366 0.02 1 954 . 84 LYS CB C 32.027 0.05 1 955 . 84 LYS HB2 H 1.985 0.02 2 956 . 84 LYS HB3 H 1.936 0.02 2 957 . 84 LYS CG C 24.615 0.05 1 958 . 84 LYS HG2 H 1.238 0.02 2 959 . 84 LYS HG3 H 1.202 0.02 2 960 . 84 LYS CD C 29.052 0.05 1 961 . 84 LYS HD2 H 1.666 0.02 2 962 . 84 LYS HD3 H 1.553 0.02 2 963 . 84 LYS CE C 41.732 0.05 1 964 . 84 LYS HE2 H 2.913 0.02 2 965 . 84 LYS HE3 H 2.895 0.02 2 966 . 85 GLU H H 7.636 0.02 1 967 . 85 GLU N N 117.276 0.05 1 968 . 85 GLU CA C 58.849 0.05 1 969 . 85 GLU HA H 3.996 0.02 1 970 . 85 GLU C C 178.928 0.05 1 971 . 85 GLU CB C 29.052 0.05 1 972 . 85 GLU HB2 H 2.042 0.02 2 973 . 85 GLU CG C 36.026 0.05 1 974 . 85 GLU HG2 H 2.300 0.02 2 975 . 85 GLU HG3 H 2.333 0.02 2 976 . 85 GLU CD C 182.626 0.05 1 977 . 86 LYS H H 7.727 0.02 1 978 . 86 LYS N N 122.431 0.05 1 979 . 86 LYS CA C 59.483 0.05 1 980 . 86 LYS HA H 3.946 0.02 1 981 . 86 LYS C C 179.382 0.05 1 982 . 86 LYS CB C 32.826 0.05 1 983 . 86 LYS HB2 H 1.998 0.02 2 984 . 86 LYS HB3 H 1.926 0.02 2 985 . 86 LYS CG C 24.615 0.05 1 986 . 86 LYS HG2 H 1.406 0.02 2 987 . 86 LYS HG3 H 1.218 0.02 2 988 . 86 LYS CD C 29.686 0.05 1 989 . 86 LYS CE C 41.732 0.05 1 990 . 86 LYS HE2 H 2.908 0.02 2 991 . 86 LYS HE3 H 2.807 0.02 2 992 . 87 ILE H H 8.354 0.02 1 993 . 87 ILE N N 120.540 0.05 1 994 . 87 ILE CA C 65.823 0.05 1 995 . 87 ILE HA H 3.307 0.02 1 996 . 87 ILE C C 177.398 0.05 1 997 . 87 ILE CB C 38.562 0.05 1 998 . 87 ILE HB H 1.647 0.02 1 999 . 87 ILE CG2 C 17.007 0.05 2 1000 . 87 ILE HG2 H 0.627 0.02 1 1001 . 87 ILE HG12 H 0.625 0.02 2 1002 . 87 ILE CD1 C 13.837 0.05 1 1003 . 87 ILE HD1 H 0.365 0.02 1 1004 . 88 ASN H H 8.409 0.02 1 1005 . 88 ASN N N 116.814 0.05 1 1006 . 88 ASN CA C 55.680 0.05 1 1007 . 88 ASN HA H 4.253 0.02 1 1008 . 88 ASN C C 178.138 0.05 1 1009 . 88 ASN CB C 37.294 0.05 1 1010 . 88 ASN HB2 H 2.771 0.02 2 1011 . 88 ASN HB3 H 3.520 0.02 2 1012 . 89 SER H H 8.073 0.02 1 1013 . 89 SER N N 115.425 0.05 1 1014 . 89 SER CA C 61.375 0.05 1 1015 . 89 SER HA H 4.175 0.02 1 1016 . 89 SER C C 176.561 0.05 1 1017 . 89 SER CB C 62.625 0.05 1 1018 . 89 SER HB2 H 4.003 0.02 2 1019 . 89 SER HB3 H 3.980 0.02 2 1020 . 90 VAL H H 7.654 0.02 1 1021 . 90 VAL N N 122.049 0.05 1 1022 . 90 VAL CA C 65.189 0.05 1 1023 . 90 VAL HA H 3.837 0.02 1 1024 . 90 VAL C C 177.051 0.05 1 1025 . 90 VAL CB C 31.588 0.05 1 1026 . 90 VAL HB H 2.104 0.02 1 1027 . 90 VAL CG1 C 22.079 0.05 1 1028 . 90 VAL HG1 H 1.043 0.02 2 1029 . 90 VAL CG2 C 22.079 0.05 1 1030 . 90 VAL HG2 H 0.935 0.02 2 1031 . 91 LEU H H 7.468 0.02 1 1032 . 91 LEU N N 116.539 0.05 1 1033 . 91 LEU CA C 54.412 0.05 1 1034 . 91 LEU HA H 4.204 0.02 1 1035 . 91 LEU C C 175.454 0.05 1 1036 . 91 LEU CB C 42.366 0.05 1 1037 . 91 LEU HB2 H 1.604 0.02 2 1038 . 91 LEU HB3 H 1.479 0.02 2 1039 . 91 LEU CG C 26.517 0.05 1 1040 . 91 LEU CD1 C 26.517 0.05 2 1041 . 91 LEU HD1 H 0.740 0.02 2 1042 . 91 LEU CD2 C 23.347 0.05 2 1043 . 91 LEU HD2 H 0.527 0.02 2 1044 . 91 LEU HG H 1.682 0.02 1 1045 . 92 SER H H 7.572 0.02 1 1046 . 92 SER N N 114.498 0.05 1 1047 . 92 SER CA C 58.875 0.05 1 1048 . 92 SER HA H 4.172 0.02 1 1049 . 92 SER C C 174.003 0.05 1 1050 . 92 SER CB C 63.250 0.05 1 1051 . 92 SER HB2 H 3.905 0.02 2 1052 . 92 SER HB3 H 3.773 0.02 2 1053 . 93 ILE H H 7.978 0.02 1 1054 . 93 ILE N N 120.785 0.05 1 1055 . 93 ILE CA C 60.751 0.05 1 1056 . 93 ILE HA H 4.094 0.02 1 1057 . 93 ILE C C 175.661 0.05 1 1058 . 93 ILE CB C 39.196 0.05 1 1059 . 93 ILE HB H 1.681 0.02 1 1060 . 93 ILE CG2 C 17.007 0.05 2 1061 . 93 ILE HG2 H 0.764 0.02 1 1062 . 93 ILE CG1 C 27.151 0.05 2 1063 . 93 ILE HG12 H 0.993 0.02 2 1064 . 93 ILE HG13 H 1.405 0.02 2 1065 . 93 ILE CD1 C 13.203 0.05 1 1066 . 93 ILE HD1 H 0.758 0.02 1 1067 . 94 ARG H H 8.338 0.02 1 1068 . 94 ARG N N 125.885 0.05 1 1069 . 94 ARG CA C 55.680 0.05 1 1070 . 94 ARG HA H 4.281 0.02 1 1071 . 94 ARG C C 175.156 0.05 1 1072 . 94 ARG CB C 30.954 0.05 1 1073 . 94 ARG HB2 H 1.788 0.02 2 1074 . 94 ARG HB3 H 1.640 0.02 2 1075 . 94 ARG CG C 27.151 0.05 1 1076 . 94 ARG HG2 H 1.539 0.02 1 1077 . 94 ARG HG3 H 1.539 0.02 1 1078 . 94 ARG CD C 43.000 0.05 1 1079 . 94 ARG HD3 H 3.108 0.02 2 1080 . 95 GLN H H 7.914 0.02 1 1081 . 95 GLN N N 126.566 0.05 1 1082 . 95 GLN CA C 57.436 0.05 1 1083 . 95 GLN HA H 4.069 0.02 1 1084 . 95 GLN CB C 31.191 0.05 1 stop_ save_