data_4821 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, and 15N resonances to the sensory domain of membraneous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli ; _BMRB_accession_number 4821 _BMRB_flat_file_name bmr4821.str _Entry_type original _Submission_date 2000-09-07 _Accession_date 2000-09-07 _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 Parac Tatjana N. . 2 Coligaev Boris . . 3 Peti Wolfgang . . 4 Zientz Evelyne . . 5 Unden Gottfried . . 6 Griesinger Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 782 "13C chemical shifts" 559 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-11-29 original author . stop_ _Original_release_date 2000-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of 1H, 13C, and 15N resonances to the sensory domain of membraneous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli ; _Citation_status published _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 Parac Tatjana N. . 2 Coligaev Boris . . 3 Zientz Evelyne . . 4 Unden Gottfried . . 5 Peti Wolfgang . . 6 Griesinger Christian . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 19 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 91 _Page_last 92 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_DcuS _Saveframe_category molecular_system _Mol_system_name DcuS _Abbreviation_common DcuS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DcuS $DcuS stop_ _System_molecular_weight 17400.59 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DcuS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DcuS _Abbreviation_common DcuS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSDMTRDGLANKALAVARTL ADSPEIRQGLQKKPQESGIQ AIAEAVRKRNDLLFIVVTDM QSLRYSHPEAQRIGQPFKGD DILKALNGEENVAINRGFLA QALRVFTPIYDENHKQIGVV AIGLELSRVTQQINDSR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 SER 23 ASP 24 MET 25 THR 26 ARG 27 ASP 28 GLY 29 LEU 30 ALA 31 ASN 32 LYS 33 ALA 34 LEU 35 ALA 36 VAL 37 ALA 38 ARG 39 THR 40 LEU 41 ALA 42 ASP 43 SER 44 PRO 45 GLU 46 ILE 47 ARG 48 GLN 49 GLY 50 LEU 51 GLN 52 LYS 53 LYS 54 PRO 55 GLN 56 GLU 57 SER 58 GLY 59 ILE 60 GLN 61 ALA 62 ILE 63 ALA 64 GLU 65 ALA 66 VAL 67 ARG 68 LYS 69 ARG 70 ASN 71 ASP 72 LEU 73 LEU 74 PHE 75 ILE 76 VAL 77 VAL 78 THR 79 ASP 80 MET 81 GLN 82 SER 83 LEU 84 ARG 85 TYR 86 SER 87 HIS 88 PRO 89 GLU 90 ALA 91 GLN 92 ARG 93 ILE 94 GLY 95 GLN 96 PRO 97 PHE 98 LYS 99 GLY 100 ASP 101 ASP 102 ILE 103 LEU 104 LYS 105 ALA 106 LEU 107 ASN 108 GLY 109 GLU 110 GLU 111 ASN 112 VAL 113 ALA 114 ILE 115 ASN 116 ARG 117 GLY 118 PHE 119 LEU 120 ALA 121 GLN 122 ALA 123 LEU 124 ARG 125 VAL 126 PHE 127 THR 128 PRO 129 ILE 130 TYR 131 ASP 132 GLU 133 ASN 134 HIS 135 LYS 136 GLN 137 ILE 138 GLY 139 VAL 140 VAL 141 ALA 142 ILE 143 GLY 144 LEU 145 GLU 146 LEU 147 SER 148 ARG 149 VAL 150 THR 151 GLN 152 GLN 153 ILE 154 ASN 155 ASP 156 SER 157 ARG 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 1OJG "Sensory Domain Of The Membraneous Two-Component Fumarate Sensor Dcus Of E. Coli" 86.62 136 100.00 100.00 1.87e-92 PDB 3BY8 "Crystal Structure Of The E.Coli Dcus Sensor Domain" 88.54 142 98.56 99.28 1.39e-93 DBJ BAB38530 "two-component sensor protein DcuS [Escherichia coli O157:H7 str. Sakai]" 88.54 543 98.56 99.28 2.12e-88 DBJ BAE78127 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 98.56 99.28 2.12e-88 DBJ BAG79947 "two-component sensor kinase [Escherichia coli SE11]" 88.54 543 97.12 99.28 2.74e-87 DBJ BAI28380 "sensory histidine kinase DcuS in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escher" 88.54 543 97.84 99.28 9.80e-88 DBJ BAI33564 "sensory histidine kinase DcuS in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escher" 88.54 543 97.84 99.28 9.80e-88 EMBL CAP78597 "Sensor protein dcuS [Escherichia coli LF82]" 88.54 543 97.84 98.56 1.64e-87 EMBL CAR01100 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 97.84 99.28 8.80e-88 EMBL CAR05782 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 98.56 99.28 2.28e-88 EMBL CAR10963 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 97.12 97.84 9.91e-87 EMBL CAR15772 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 98.56 99.28 2.12e-88 GB AAA97025 "ORF_f543 [Escherichia coli str. K-12 substr. MG1655]" 88.54 543 98.56 99.28 1.96e-88 GB AAC77086 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 98.56 99.28 2.12e-88 GB AAG59324 "putative 2-component sensor protein [Escherichia coli O157:H7 str. EDL933]" 88.54 543 98.56 99.28 2.12e-88 GB AAN45523 "putative 2-component sensor protein [Shigella flexneri 2a str. 301]" 88.54 543 97.84 98.56 1.57e-87 GB AAN83553 "Sensor protein dcuS [Escherichia coli CFT073]" 88.54 543 97.84 98.56 1.64e-87 REF NP_290758 "sensory histidine kinase DcuS [Escherichia coli O157:H7 str. EDL933]" 88.54 543 98.56 99.28 2.12e-88 REF NP_313134 "sensory histidine kinase DcuS [Escherichia coli O157:H7 str. Sakai]" 88.54 543 98.56 99.28 2.12e-88 REF NP_418549 "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" 88.54 543 98.56 99.28 2.12e-88 REF NP_709816 "sensory histidine kinase DcuS [Shigella flexneri 2a str. 301]" 88.54 543 97.84 98.56 1.57e-87 REF NP_756979 "sensory histidine kinase DcuS [Escherichia coli CFT073]" 88.54 543 97.84 98.56 1.64e-87 SP P0AEC8 "RecName: Full=Sensor histidine kinase DcuS; AltName: Full=Fumarate sensor [Escherichia coli K-12]" 88.54 543 98.56 99.28 2.12e-88 SP P0AEC9 "RecName: Full=Sensor histidine kinase DcuS [Escherichia coli O157:H7]" 88.54 543 98.56 99.28 2.12e-88 SP P59340 "RecName: Full=Sensor histidine kinase DcuS [Escherichia coli CFT073]" 88.54 543 97.84 98.56 1.64e-87 SP P59341 "RecName: Full=Sensor histidine kinase DcuS [Shigella flexneri]" 88.54 543 97.84 98.56 1.57e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DcuS E.coli 562 Eubacteria . Escherichia coli 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 $DcuS '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DcuS 1 mM 1 1 '[U-99% 13C; U-99% 15N]' H2O 90 % . . . D2O 10 % . . . 'sodium phosphate' 50 mM . . . NaCl 200 mM . . . Glycine 50 mM . . . 'Pefabloc SC' 50 pM . . . NaN3 0.01 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_NHCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name NHCO _Sample_label . save_ save_NHCOCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name NHCOCACB _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label . save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_15N_NOESYHSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESYHSQC' _Sample_label . save_ save_15N_HSQCNOESYHSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQCNOESYHSQC' _Sample_label . save_ save_13C_NOESYHSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESYHSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NHCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NHCOCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQCNOESYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.02 n/a temperature 303 0.1 K pressure 1 . atm 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 . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name DcuS _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 . 12 SER CA C 57.184 0.08 1 2 . 12 SER HA H 4.477 0.02 1 3 . 12 SER CB C 62.219 0.08 1 4 . 12 SER HB2 H 3.907 0.02 1 5 . 12 SER HB3 H 3.907 0.02 1 6 . 13 GLY N N 109.987 0.02 1 7 . 13 GLY H H 8.315 0.02 1 8 . 14 LEU CA C 55.966 0.08 1 9 . 14 LEU CB C 40.613 0.08 1 10 . 14 LEU CG C 23.484 0.08 1 11 . 15 VAL N N 113.796 0.02 1 12 . 15 VAL H H 8.587 0.02 1 13 . 16 PRO CD C 49.389 0.08 1 14 . 16 PRO CA C 61.529 0.08 1 15 . 16 PRO HA H 4.327 0.02 1 16 . 16 PRO CB C 30.305 0.08 1 17 . 16 PRO HB2 H 2.218 0.02 1 18 . 16 PRO HB3 H 1.831 0.02 1 19 . 16 PRO CG C 25.839 0.08 1 20 . 17 ARG N N 121.960 0.02 1 21 . 17 ARG H H 8.385 0.02 1 22 . 17 ARG CA C 54.829 0.08 1 23 . 17 ARG CB C 29.087 0.08 1 24 . 17 ARG CG C 25.869 0.08 1 25 . 17 ARG CD C 41.806 0.08 1 26 . 18 GLY N N 109.856 0.02 1 27 . 18 GLY H H 8.433 0.02 1 28 . 18 GLY CA C 43.343 0.08 1 29 . 20 HIS N N 121.540 0.02 1 30 . 20 HIS H H 7.970 0.02 1 31 . 20 HIS CA C 57.554 0.08 1 32 . 20 HIS CB C 30.432 0.08 1 33 . 22 SER CA C 57.103 0.08 1 34 . 22 SER HA H 4.400 0.02 1 35 . 22 SER CB C 62.219 0.08 1 36 . 22 SER HB2 H 3.973 0.02 1 37 . 22 SER HB3 H 3.973 0.02 1 38 . 22 SER C C 174.864 0.08 1 39 . 23 ASP N N 122.290 0.02 1 40 . 23 ASP H H 8.392 0.02 1 41 . 23 ASP CA C 54.017 0.08 1 42 . 23 ASP HA H 4.492 0.02 1 43 . 23 ASP CB C 39.238 0.08 1 44 . 23 ASP HB2 H 2.668 0.02 1 45 . 23 ASP HB3 H 2.668 0.02 1 46 . 23 ASP C C 175.317 0.08 1 47 . 24 MET N N 120.295 0.02 1 48 . 24 MET H H 8.303 0.02 1 49 . 24 MET CA C 54.992 0.08 1 50 . 24 MET HA H 4.449 0.02 1 51 . 24 MET CB C 30.792 0.08 1 52 . 24 MET HB2 H 2.561 0.02 1 53 . 24 MET HB3 H 2.057 0.02 1 54 . 24 MET HG2 H 2.521 0.02 1 55 . 24 MET HG3 H 2.521 0.02 1 56 . 24 MET HE H 1.139 0.02 1 57 . 24 MET C C 175.928 0.08 1 58 . 25 THR N N 113.948 0.02 1 59 . 25 THR H H 8.019 0.02 1 60 . 25 THR CA C 61.569 0.08 1 61 . 25 THR HA H 4.377 0.02 1 62 . 25 THR CB C 68.310 0.08 1 63 . 25 THR HB H 3.941 0.02 1 64 . 25 THR HG2 H 1.235 0.02 1 65 . 25 THR CG2 C 25.809 0.08 1 66 . 25 THR C C 173.959 0.08 1 67 . 26 ARG N N 122.778 0.02 1 68 . 26 ARG H H 8.497 0.02 1 69 . 26 ARG CA C 57.266 0.08 1 70 . 26 ARG HA H 3.902 0.02 1 71 . 26 ARG CB C 28.519 0.08 1 72 . 26 ARG HB2 H 1.842 0.02 1 73 . 26 ARG HB3 H 1.842 0.02 1 74 . 26 ARG CG C 25.758 0.08 1 75 . 26 ARG HG2 H 1.537 0.02 2 76 . 26 ARG HG3 H 1.551 0.02 2 77 . 26 ARG CD C 41.836 0.08 1 78 . 26 ARG HD2 H 3.134 0.02 2 79 . 26 ARG HD3 H 3.164 0.02 2 80 . 26 ARG C C 175.770 0.08 1 81 . 27 ASP N N 118.564 0.02 1 82 . 27 ASP H H 8.392 0.02 1 83 . 27 ASP CA C 54.586 0.08 1 84 . 27 ASP HA H 4.422 0.02 1 85 . 27 ASP CB C 39.319 0.08 1 86 . 27 ASP HB2 H 2.638 0.02 1 87 . 27 ASP HB3 H 2.638 0.02 1 88 . 27 ASP C C 176.619 0.08 1 89 . 28 GLY N N 108.391 0.02 1 90 . 28 GLY H H 8.154 0.02 1 91 . 28 GLY CA C 45.328 0.08 1 92 . 28 GLY HA2 H 3.827 0.02 1 93 . 28 GLY HA3 H 3.966 0.02 1 94 . 28 GLY C C 175.430 0.08 1 95 . 29 LEU N N 123.561 0.02 1 96 . 29 LEU H H 8.210 0.02 1 97 . 29 LEU CA C 56.210 0.08 1 98 . 29 LEU HA H 4.041 0.02 1 99 . 29 LEU CB C 40.375 0.08 1 100 . 29 LEU HB2 H 1.746 0.02 1 101 . 29 LEU HB3 H 1.746 0.02 1 102 . 29 LEU CG C 24.377 0.08 1 103 . 29 LEU HG H 1.317 0.02 1 104 . 29 LEU HD1 H 0.827 0.02 2 105 . 29 LEU HD2 H 0.806 0.02 2 106 . 29 LEU CD1 C 21.616 0.08 1 107 . 29 LEU CD2 C 21.907 0.08 1 108 . 29 LEU C C 177.637 0.08 1 109 . 30 ALA N N 121.543 0.02 1 110 . 30 ALA H H 8.568 0.02 1 111 . 30 ALA CA C 53.774 0.08 1 112 . 30 ALA HA H 3.966 0.02 1 113 . 30 ALA HB H 1.434 0.02 1 114 . 30 ALA CB C 16.744 0.08 1 115 . 30 ALA C C 177.751 0.08 1 116 . 31 ASN N N 115.768 0.02 1 117 . 31 ASN H H 8.195 0.02 1 118 . 31 ASN CA C 54.667 0.08 1 119 . 31 ASN HA H 4.438 0.02 1 120 . 31 ASN CB C 36.477 0.08 1 121 . 31 ASN HB2 H 2.893 0.02 1 122 . 31 ASN HB3 H 2.722 0.02 1 123 . 31 ASN ND2 N 113.083 0.02 1 124 . 31 ASN HD21 H 7.523 0.02 1 125 . 31 ASN HD22 H 6.918 0.02 1 126 . 31 ASN C C 177.015 0.08 1 127 . 32 LYS N N 122.372 0.02 1 128 . 32 LYS H H 7.791 0.02 1 129 . 32 LYS CA C 57.854 0.08 1 130 . 32 LYS HA H 4.309 0.02 1 131 . 32 LYS CB C 30.711 0.08 1 132 . 32 LYS HB2 H 1.531 0.02 1 133 . 32 LYS HB3 H 1.531 0.02 1 134 . 32 LYS CG C 23.240 0.08 1 135 . 32 LYS HG2 H 1.410 0.02 1 136 . 32 LYS HG3 H 1.410 0.02 1 137 . 32 LYS CD C 25.352 0.08 1 138 . 32 LYS HD2 H 1.601 0.02 2 139 . 32 LYS HD3 H 1.629 0.02 2 140 . 32 LYS CE C 40.700 0.08 1 141 . 32 LYS HE2 H 2.351 0.02 2 142 . 32 LYS HE3 H 2.353 0.02 2 143 . 32 LYS C C 172.346 0.08 1 144 . 33 ALA N N 122.091 0.02 1 145 . 33 ALA H H 8.046 0.02 1 146 . 33 ALA CA C 53.692 0.08 1 147 . 33 ALA HA H 3.891 0.02 1 148 . 33 ALA HB H 1.231 0.02 1 149 . 33 ALA CB C 16.581 0.08 1 150 . 33 ALA C C 177.977 0.08 1 151 . 34 LEU N N 120.498 0.02 1 152 . 34 LEU H H 8.890 0.02 1 153 . 34 LEU CA C 56.291 0.08 1 154 . 34 LEU HA H 3.795 0.02 1 155 . 34 LEU CB C 40.375 0.08 1 156 . 34 LEU HB2 H 1.349 0.02 1 157 . 34 LEU HB3 H 1.842 0.02 1 158 . 34 LEU CG C 26.000 0.08 1 159 . 34 LEU HG H 1.367 0.02 1 160 . 34 LEU HD1 H 0.636 0.02 2 161 . 34 LEU HD2 H 0.826 0.02 2 162 . 34 LEU CD1 C 22.272 0.08 1 163 . 34 LEU CD2 C 22.491 0.08 1 164 . 34 LEU C C 176.987 0.08 1 165 . 35 ALA N N 121.628 0.02 1 166 . 35 ALA H H 7.713 0.02 1 167 . 35 ALA CA C 53.936 0.08 1 168 . 35 ALA HA H 4.084 0.02 1 169 . 35 ALA HB H 1.488 0.02 1 170 . 35 ALA CB C 15.932 0.08 1 171 . 35 ALA C C 179.590 0.08 1 172 . 36 VAL N N 119.517 0.02 1 173 . 36 VAL H H 7.306 0.02 1 174 . 36 VAL CA C 64.412 0.08 1 175 . 36 VAL HA H 3.537 0.02 1 176 . 36 VAL CB C 29.737 0.08 1 177 . 36 VAL HB H 2.057 0.02 1 178 . 36 VAL HG1 H 0.824 0.02 2 179 . 36 VAL HG2 H 0.661 0.02 2 180 . 36 VAL CG1 C 19.860 0.08 1 181 . 36 VAL CG2 C 20.591 0.08 1 182 . 36 VAL C C 176.675 0.08 1 183 . 37 ALA N N 123.745 0.02 1 184 . 37 ALA H H 8.317 0.02 1 185 . 37 ALA CA C 53.900 0.08 1 186 . 37 ALA HA H 3.698 0.02 1 187 . 37 ALA HB H 1.283 0.02 1 188 . 37 ALA CB C 15.932 0.08 1 189 . 37 ALA C C 177.241 0.08 1 190 . 38 ARG N N 116.978 0.02 1 191 . 38 ARG H H 8.957 0.02 1 192 . 38 ARG CA C 57.996 0.08 1 193 . 38 ARG HA H 3.875 0.02 1 194 . 38 ARG CB C 29.412 0.08 1 195 . 38 ARG HB2 H 1.731 0.02 1 196 . 38 ARG HB3 H 1.731 0.02 1 197 . 38 ARG HG2 H 1.501 0.02 1 198 . 38 ARG HG3 H 1.501 0.02 1 199 . 38 ARG CD C 42.730 0.08 1 200 . 38 ARG HD2 H 4.278 0.02 1 201 . 38 ARG HD3 H 4.278 0.02 1 202 . 38 ARG C C 177.524 0.08 1 203 . 39 THR N N 115.909 0.02 1 204 . 39 THR H H 7.665 0.02 1 205 . 39 THR CA C 65.061 0.08 1 206 . 39 THR HA H 4.277 0.02 1 207 . 39 THR CB C 67.497 0.08 1 208 . 39 THR HB H 3.977 0.02 1 209 . 39 THR HG2 H 1.256 0.02 1 210 . 39 THR CG2 C 19.933 0.08 1 211 . 39 THR C C 176.053 0.08 1 212 . 40 LEU N N 123.419 0.02 1 213 . 40 LEU H H 7.863 0.02 1 214 . 40 LEU CA C 56.291 0.08 1 215 . 40 LEU HA H 4.061 0.02 1 216 . 40 LEU CB C 40.513 0.08 1 217 . 40 LEU HB2 H 1.821 0.02 1 218 . 40 LEU HB3 H 1.335 0.02 1 219 . 40 LEU CG C 24.551 0.08 1 220 . 40 LEU HG H 1.680 0.02 1 221 . 40 LEU HD1 H 0.800 0.02 2 222 . 40 LEU HD2 H 0.982 0.02 2 223 . 40 LEU CD1 C 22.570 0.08 1 224 . 40 LEU CD2 C 22.716 0.08 1 225 . 40 LEU C C 177.100 0.08 1 226 . 41 ALA N N 119.869 0.02 1 227 . 41 ALA H H 8.408 0.02 1 228 . 41 ALA CA C 53.043 0.08 1 229 . 41 ALA HA H 3.787 0.02 1 230 . 41 ALA HB H 1.466 0.02 1 231 . 41 ALA CB C 17.393 0.08 1 232 . 41 ALA C C 176.138 0.08 1 233 . 42 ASP N N 115.912 0.02 1 234 . 42 ASP H H 7.237 0.02 1 235 . 42 ASP CA C 51.662 0.08 1 236 . 42 ASP HA H 4.925 0.02 1 237 . 42 ASP CB C 40.293 0.08 1 238 . 42 ASP HB2 H 2.813 0.02 1 239 . 42 ASP HB3 H 2.594 0.02 1 240 . 42 ASP C C 174.695 0.08 1 241 . 43 SER N N 116.998 0.02 1 242 . 43 SER H H 7.579 0.02 1 243 . 43 SER CA C 53.900 0.08 1 244 . 43 SER HA H 4.891 0.02 1 245 . 43 SER CB C 61.695 0.08 1 246 . 43 SER HB2 H 4.171 0.02 2 247 . 43 SER HB3 H 4.203 0.02 2 248 . 44 PRO CD C 49.632 0.08 1 249 . 44 PRO CA C 63.437 0.08 1 250 . 44 PRO HA H 4.245 0.02 1 251 . 44 PRO CB C 30.386 0.08 1 252 . 44 PRO HB2 H 1.972 0.02 1 253 . 44 PRO HB3 H 2.366 0.02 1 254 . 44 PRO CG C 26.245 0.08 1 255 . 44 PRO HG2 H 2.125 0.02 1 256 . 44 PRO HG3 H 2.125 0.02 1 257 . 44 PRO C C 177.128 0.08 1 258 . 45 GLU N N 116.682 0.02 1 259 . 45 GLU H H 8.785 0.02 1 260 . 45 GLU CA C 58.484 0.08 1 261 . 45 GLU HA H 3.978 0.02 1 262 . 45 GLU CB C 27.707 0.08 1 263 . 45 GLU HB2 H 1.885 0.02 1 264 . 45 GLU HB3 H 1.885 0.02 1 265 . 45 GLU CG C 35.502 0.08 1 266 . 45 GLU HG2 H 2.329 0.02 1 267 . 45 GLU HG3 H 2.329 0.02 1 268 . 45 GLU C C 178.628 0.08 1 269 . 46 ILE N N 122.163 0.02 1 270 . 46 ILE H H 7.295 0.02 1 271 . 46 ILE CA C 60.514 0.08 1 272 . 46 ILE HA H 3.765 0.02 1 273 . 46 ILE CB C 33.797 0.08 1 274 . 46 ILE HB H 2.364 0.02 1 275 . 46 ILE HG2 H 0.709 0.02 1 276 . 46 ILE CG2 C 16.424 0.08 1 277 . 46 ILE CG1 C 26.651 0.08 1 278 . 46 ILE HG12 H 1.474 0.02 1 279 . 46 ILE HG13 H 1.555 0.02 1 280 . 46 ILE HD1 H 0.771 0.02 1 281 . 46 ILE CD1 C 9.192 0.08 1 282 . 46 ILE C C 175.006 0.08 1 283 . 47 ARG N N 118.207 0.02 1 284 . 47 ARG H H 7.523 0.02 1 285 . 47 ARG CA C 59.052 0.08 1 286 . 47 ARG HA H 3.666 0.02 1 287 . 47 ARG CB C 28.600 0.08 1 288 . 47 ARG HB2 H 1.897 0.02 1 289 . 47 ARG HB3 H 1.814 0.02 1 290 . 47 ARG CG C 26.732 0.08 1 291 . 47 ARG HG2 H 1.457 0.02 1 292 . 47 ARG HG3 H 1.457 0.02 1 293 . 47 ARG CD C 42.648 0.08 1 294 . 47 ARG HD2 H 3.223 0.02 1 295 . 47 ARG HD3 H 3.223 0.02 1 296 . 47 ARG HH21 H 6.465 0.02 1 297 . 47 ARG HH22 H 6.465 0.02 1 298 . 47 ARG C C 177.609 0.08 1 299 . 48 GLN N N 115.465 0.02 1 300 . 48 GLN H H 8.380 0.02 1 301 . 48 GLN CA C 56.453 0.08 1 302 . 48 GLN HA H 4.061 0.02 1 303 . 48 GLN CB C 26.731 0.08 1 304 . 48 GLN HB2 H 2.058 0.02 1 305 . 48 GLN HB3 H 2.058 0.02 1 306 . 48 GLN CG C 32.653 0.08 1 307 . 48 GLN HG2 H 2.400 0.02 1 308 . 48 GLN HG3 H 2.400 0.02 1 309 . 48 GLN NE2 N 112.280 0.02 1 310 . 48 GLN HE21 H 7.440 0.02 1 311 . 48 GLN HE22 H 6.800 0.02 1 312 . 48 GLN C C 178.458 0.08 1 313 . 49 GLY N N 109.112 0.02 1 314 . 49 GLY H H 7.825 0.02 1 315 . 49 GLY CA C 45.978 0.08 1 316 . 49 GLY HA2 H 3.742 0.02 1 317 . 49 GLY HA3 H 4.092 0.02 1 318 . 49 GLY C C 173.789 0.08 1 319 . 50 LEU N N 119.388 0.02 1 320 . 50 LEU H H 7.314 0.02 1 321 . 50 LEU CA C 54.829 0.08 1 322 . 50 LEU HA H 3.918 0.02 1 323 . 50 LEU CB C 40.700 0.08 1 324 . 50 LEU HB2 H 1.620 0.02 1 325 . 50 LEU HB3 H 1.313 0.02 1 326 . 50 LEU CG C 24.702 0.08 1 327 . 50 LEU HG H 0.445 0.02 1 328 . 50 LEU HD1 H -0.146 0.02 2 329 . 50 LEU HD2 H 0.608 0.02 2 330 . 50 LEU CD1 C 19.505 0.08 1 331 . 50 LEU CD2 C 19.716 0.08 1 332 . 50 LEU C C 175.826 0.08 1 333 . 51 GLN N N 115.514 0.02 1 334 . 51 GLN H H 7.347 0.02 1 335 . 51 GLN CA C 54.180 0.08 1 336 . 51 GLN HA H 4.363 0.02 1 337 . 51 GLN CB C 27.097 0.08 1 338 . 51 GLN HB2 H 2.346 0.02 1 339 . 51 GLN HB3 H 2.067 0.02 1 340 . 51 GLN CG C 32.214 0.08 1 341 . 51 GLN HG2 H 1.962 0.02 1 342 . 51 GLN HG3 H 1.962 0.02 1 343 . 51 GLN C C 174.780 0.08 1 344 . 52 LYS N N 119.961 0.02 1 345 . 52 LYS H H 7.638 0.02 1 346 . 52 LYS CA C 52.474 0.08 1 347 . 52 LYS HA H 4.599 0.02 1 348 . 52 LYS CB C 33.229 0.08 1 349 . 52 LYS HB2 H 1.917 0.02 1 350 . 52 LYS HB3 H 1.917 0.02 1 351 . 52 LYS CG C 27.625 0.08 1 352 . 52 LYS HG2 H 1.281 0.02 1 353 . 52 LYS HG3 H 1.281 0.02 1 354 . 52 LYS CD C 23.565 0.08 1 355 . 52 LYS HD2 H 1.709 0.02 1 356 . 52 LYS HD3 H 1.709 0.02 1 357 . 52 LYS CE C 40.781 0.08 1 358 . 52 LYS HE2 H 3.027 0.02 1 359 . 52 LYS HE3 H 3.027 0.02 1 360 . 52 LYS C C 174.044 0.08 1 361 . 53 LYS N N 121.004 0.02 1 362 . 53 LYS H H 8.683 0.02 1 363 . 53 LYS CA C 53.169 0.08 1 364 . 53 LYS HA H 4.507 0.02 1 365 . 53 LYS CB C 28.970 0.08 1 366 . 53 LYS HB2 H 1.629 0.02 1 367 . 53 LYS HB3 H 1.629 0.02 1 368 . 53 LYS HD2 H 2.293 0.02 1 369 . 53 LYS HD3 H 2.293 0.02 1 370 . 53 LYS HE2 H 3.788 0.02 1 371 . 53 LYS HE3 H 3.788 0.02 1 372 . 54 PRO CD C 47.846 0.08 1 373 . 54 PRO CA C 64.736 0.08 1 374 . 54 PRO HA H 3.420 0.02 1 375 . 54 PRO CB C 30.062 0.08 1 376 . 54 PRO HB2 H 1.521 0.02 1 377 . 54 PRO HB3 H 1.421 0.02 1 378 . 54 PRO CG C 24.347 0.08 1 379 . 54 PRO HG2 H 2.128 0.02 1 380 . 54 PRO HG3 H 2.128 0.02 1 381 . 54 PRO HD2 H 3.197 0.02 1 382 . 54 PRO HD3 H 3.197 0.02 1 383 . 54 PRO C C 177.807 0.08 1 384 . 55 GLN N N 114.329 0.02 1 385 . 55 GLN H H 8.972 0.02 1 386 . 55 GLN CA C 57.184 0.08 1 387 . 55 GLN HA H 4.050 0.02 1 388 . 55 GLN CB C 25.920 0.08 1 389 . 55 GLN HB2 H 2.123 0.02 1 390 . 55 GLN HB3 H 2.003 0.02 1 391 . 55 GLN CG C 32.335 0.08 1 392 . 55 GLN HG2 H 2.330 0.02 1 393 . 55 GLN HG3 H 2.471 0.02 1 394 . 55 GLN C C 175.091 0.08 1 395 . 56 GLU N N 117.159 0.02 1 396 . 56 GLU H H 7.681 0.02 1 397 . 56 GLU CA C 53.611 0.08 1 398 . 56 GLU HA H 4.641 0.02 1 399 . 56 GLU CB C 29.412 0.08 1 400 . 56 GLU HB2 H 2.287 0.02 1 401 . 56 GLU HB3 H 1.937 0.02 1 402 . 56 GLU CG C 34.609 0.08 1 403 . 56 GLU HG2 H 2.776 0.02 1 404 . 56 GLU HG3 H 2.776 0.02 1 405 . 56 GLU C C 175.515 0.08 1 406 . 57 SER N N 114.883 0.02 1 407 . 57 SER H H 7.426 0.02 1 408 . 57 SER CA C 59.296 0.08 1 409 . 57 SER HA H 4.203 0.02 1 410 . 57 SER CB C 64.087 0.08 1 411 . 57 SER HB2 H 3.656 0.02 1 412 . 57 SER HB3 H 3.656 0.02 1 413 . 57 SER C C 173.619 0.08 1 414 . 58 GLY N N 111.618 0.02 1 415 . 58 GLY H H 8.793 0.02 1 416 . 58 GLY CA C 43.911 0.08 1 417 . 58 GLY HA2 H 4.084 0.02 1 418 . 58 GLY HA3 H 4.084 0.02 1 419 . 58 GLY C C 173.619 0.08 1 420 . 59 ILE N N 121.614 0.02 1 421 . 59 ILE H H 8.298 0.02 1 422 . 59 ILE CA C 64.087 0.08 1 423 . 59 ILE HA H 3.574 0.02 1 424 . 59 ILE CB C 35.178 0.08 1 425 . 59 ILE HB H 2.062 0.02 1 426 . 59 ILE HG2 H 0.659 0.02 1 427 . 59 ILE CG2 C 15.363 0.08 1 428 . 59 ILE CG1 C 21.372 0.08 1 429 . 59 ILE HG12 H 0.806 0.02 1 430 . 59 ILE HG13 H 0.806 0.02 1 431 . 59 ILE HD1 H 0.944 0.02 1 432 . 59 ILE CD1 C 11.465 0.08 1 433 . 59 ILE C C 174.864 0.08 1 434 . 60 GLN N N 123.384 0.02 1 435 . 60 GLN H H 8.550 0.02 1 436 . 60 GLN CA C 57.672 0.08 1 437 . 60 GLN HA H 4.466 0.02 1 438 . 60 GLN CB C 25.270 0.08 1 439 . 60 GLN HB2 H 1.860 0.02 1 440 . 60 GLN HB3 H 2.386 0.02 1 441 . 60 GLN CG C 28.925 0.08 1 442 . 60 GLN HG2 H 2.495 0.02 2 443 . 60 GLN HG3 H 2.523 0.02 2 444 . 60 GLN C C 175.770 0.08 1 445 . 61 ALA N N 118.764 0.02 1 446 . 61 ALA H H 7.803 0.02 1 447 . 61 ALA CA C 53.530 0.08 1 448 . 61 ALA HA H 4.106 0.02 1 449 . 61 ALA HB H 1.402 0.02 1 450 . 61 ALA CB C 16.663 0.08 1 451 . 61 ALA C C 179.929 0.08 1 452 . 62 ILE N N 119.331 0.02 1 453 . 62 ILE H H 7.104 0.02 1 454 . 62 ILE CA C 62.706 0.08 1 455 . 62 ILE HA H 3.776 0.02 1 456 . 62 ILE CB C 37.532 0.08 1 457 . 62 ILE HB H 1.795 0.02 1 458 . 62 ILE HG2 H 0.787 0.02 1 459 . 62 ILE CG2 C 15.171 0.08 1 460 . 62 ILE CG1 C 26.377 0.08 1 461 . 62 ILE HG12 H 0.860 0.02 1 462 . 62 ILE HG13 H 0.860 0.02 1 463 . 62 ILE HD1 H 1.688 0.02 1 464 . 62 ILE CD1 C 12.329 0.08 1 465 . 62 ILE C C 175.940 0.08 1 466 . 63 ALA N N 121.805 0.02 1 467 . 63 ALA H H 9.061 0.02 1 468 . 63 ALA CA C 54.261 0.08 1 469 . 63 ALA HA H 3.698 0.02 1 470 . 63 ALA HB H 1.456 0.02 1 471 . 63 ALA CB C 16.663 0.08 1 472 . 63 ALA C C 178.260 0.08 1 473 . 64 GLU N N 115.732 0.02 1 474 . 64 GLU H H 8.803 0.02 1 475 . 64 GLU CA C 56.535 0.08 1 476 . 64 GLU HA H 4.280 0.02 1 477 . 64 GLU CB C 28.843 0.08 1 478 . 64 GLU HB2 H 1.904 0.02 1 479 . 64 GLU HB3 H 2.233 0.02 1 480 . 64 GLU CG C 35.827 0.08 1 481 . 64 GLU C C 177.128 0.08 1 482 . 65 ALA N N 122.282 0.02 1 483 . 65 ALA H H 7.408 0.02 1 484 . 65 ALA CA C 53.774 0.08 1 485 . 65 ALA HA H 4.138 0.02 1 486 . 65 ALA HB H 1.552 0.02 1 487 . 65 ALA CB C 16.419 0.08 1 488 . 65 ALA C C 179.844 0.08 1 489 . 66 VAL N N 119.628 0.02 1 490 . 66 VAL H H 8.060 0.02 1 491 . 66 VAL CA C 64.655 0.08 1 492 . 66 VAL HA H 3.442 0.02 1 493 . 66 VAL CB C 29.818 0.08 1 494 . 66 VAL HB H 1.917 0.02 1 495 . 66 VAL HG1 H 0.750 0.02 2 496 . 66 VAL HG2 H 1.073 0.02 2 497 . 66 VAL CG1 C 20.883 0.08 1 498 . 66 VAL CG2 C 21.176 0.08 1 499 . 66 VAL C C 177.185 0.08 1 500 . 67 ARG N N 124.819 0.02 1 501 . 67 ARG H H 9.024 0.02 1 502 . 67 ARG CA C 58.890 0.08 1 503 . 67 ARG HA H 3.612 0.02 1 504 . 67 ARG CB C 28.113 0.08 1 505 . 67 ARG HB2 H 2.057 0.02 1 506 . 67 ARG HB3 H 2.057 0.02 1 507 . 67 ARG CG C 26.540 0.08 1 508 . 67 ARG HG2 H 1.411 0.02 1 509 . 67 ARG HG3 H 1.411 0.02 1 510 . 67 ARG CD C 40.375 0.08 1 511 . 67 ARG HD2 H 2.975 0.02 1 512 . 67 ARG HD3 H 2.975 0.02 1 513 . 67 ARG C C 177.241 0.08 1 514 . 68 LYS N N 118.555 0.02 1 515 . 68 LYS H H 8.246 0.02 1 516 . 68 LYS CA C 57.753 0.08 1 517 . 68 LYS HA H 4.083 0.02 1 518 . 68 LYS CB C 30.874 0.08 1 519 . 68 LYS HB2 H 1.893 0.02 1 520 . 68 LYS HB3 H 1.893 0.02 1 521 . 68 LYS CG C 23.890 0.08 1 522 . 68 LYS HG2 H 1.428 0.02 1 523 . 68 LYS HG3 H 1.428 0.02 1 524 . 68 LYS CD C 27.707 0.08 1 525 . 68 LYS HD2 H 1.637 0.02 1 526 . 68 LYS HD3 H 1.637 0.02 1 527 . 68 LYS CE C 40.375 0.08 1 528 . 68 LYS HE2 H 2.946 0.02 1 529 . 68 LYS HE3 H 2.946 0.02 1 530 . 68 LYS C C 178.543 0.08 1 531 . 69 ARG N N 118.691 0.02 1 532 . 69 ARG H H 7.708 0.02 1 533 . 69 ARG CA C 56.860 0.08 1 534 . 69 ARG HA H 4.137 0.02 1 535 . 69 ARG CB C 28.762 0.08 1 536 . 69 ARG HB2 H 1.992 0.02 1 537 . 69 ARG HB3 H 1.828 0.02 1 538 . 69 ARG CG C 25.595 0.08 1 539 . 69 ARG HG2 H 1.707 0.02 1 540 . 69 ARG HG3 H 1.707 0.02 1 541 . 69 ARG CD C 41.918 0.08 1 542 . 69 ARG HD2 H 3.165 0.02 1 543 . 69 ARG HD3 H 3.165 0.02 1 544 . 69 ARG C C 175.345 0.08 1 545 . 70 ASN N N 113.046 0.02 1 546 . 70 ASN H H 7.243 0.02 1 547 . 70 ASN CA C 51.987 0.08 1 548 . 70 ASN HA H 4.728 0.02 1 549 . 70 ASN CB C 39.725 0.08 1 550 . 70 ASN HB2 H 2.700 0.02 1 551 . 70 ASN HB3 H 2.260 0.02 1 552 . 70 ASN HD21 H 6.859 0.02 1 553 . 70 ASN HD22 H 6.636 0.02 1 554 . 70 ASN C C 171.073 0.08 1 555 . 71 ASP N N 120.295 0.02 1 556 . 71 ASP H H 7.814 0.02 1 557 . 71 ASP CA C 53.530 0.08 1 558 . 71 ASP HA H 4.345 0.02 1 559 . 71 ASP CB C 37.939 0.08 1 560 . 71 ASP HB2 H 3.108 0.02 1 561 . 71 ASP HB3 H 2.441 0.02 1 562 . 71 ASP C C 172.657 0.08 1 563 . 72 LEU N N 115.835 0.02 1 564 . 72 LEU H H 7.604 0.02 1 565 . 72 LEU CA C 51.825 0.08 1 566 . 72 LEU HA H 4.578 0.02 1 567 . 72 LEU CB C 41.755 0.08 1 568 . 72 LEU HB2 H 1.424 0.02 1 569 . 72 LEU HB3 H 1.424 0.02 1 570 . 72 LEU CG C 24.458 0.08 1 571 . 72 LEU HG H 1.452 0.02 1 572 . 72 LEU HD1 H 0.788 0.02 2 573 . 72 LEU HD2 H 0.738 0.02 2 574 . 72 LEU CD1 C 20.723 0.08 1 575 . 72 LEU CD2 C 20.444 0.08 1 576 . 72 LEU C C 174.695 0.08 1 577 . 73 LEU N N 124.031 0.02 1 578 . 73 LEU H H 7.978 0.02 1 579 . 73 LEU CA C 55.723 0.08 1 580 . 73 LEU HA H 4.356 0.02 1 581 . 73 LEU CB C 41.268 0.08 1 582 . 73 LEU HB2 H 1.368 0.02 1 583 . 73 LEU HB3 H 1.368 0.02 1 584 . 73 LEU CG C 26.813 0.08 1 585 . 73 LEU HG H 1.601 0.02 1 586 . 73 LEU HD1 H 0.858 0.02 2 587 . 73 LEU HD2 H 0.805 0.02 2 588 . 73 LEU CD1 C 20.885 0.08 1 589 . 73 LEU CD2 C 20.737 0.08 1 590 . 73 LEU C C 175.600 0.08 1 591 . 74 PHE N N 104.778 0.02 1 592 . 74 PHE H H 6.953 0.02 1 593 . 74 PHE CA C 54.874 0.08 1 594 . 74 PHE HA H 4.368 0.02 1 595 . 74 PHE CB C 38.715 0.08 1 596 . 74 PHE HB2 H 3.627 0.02 2 597 . 74 PHE HB3 H 3.675 0.02 2 598 . 74 PHE HZ H 8.919 0.02 1 599 . 74 PHE HD1 H 6.793 0.02 3 600 . 74 PHE HD2 H 6.780 0.02 3 601 . 74 PHE HE1 H 7.057 0.02 3 602 . 74 PHE HE2 H 7.042 0.02 3 603 . 75 ILE CA C 61.569 0.08 1 604 . 75 ILE HA H 4.647 0.02 1 605 . 75 ILE CB C 37.857 0.08 1 606 . 75 ILE HB H 1.753 0.02 1 607 . 75 ILE HG2 H 0.591 0.02 1 608 . 75 ILE CG2 C 14.308 0.08 1 609 . 75 ILE CG1 C 25.433 0.08 1 610 . 75 ILE HG12 H 0.568 0.02 1 611 . 75 ILE HG13 H 0.568 0.02 1 612 . 75 ILE HD1 H 0.807 0.02 1 613 . 75 ILE CD1 C 12.359 0.08 1 614 . 75 ILE C C 174.016 0.08 1 615 . 76 VAL N N 135.590 0.02 1 616 . 76 VAL H H 10.342 0.02 1 617 . 76 VAL CA C 59.458 0.08 1 618 . 76 VAL HA H 4.457 0.02 1 619 . 76 VAL CB C 34.122 0.08 1 620 . 76 VAL HB H 2.164 0.02 1 621 . 76 VAL HG1 H 1.447 0.02 2 622 . 76 VAL HG2 H 1.377 0.02 2 623 . 76 VAL CG1 C 20.079 0.08 1 624 . 76 VAL CG2 C 19.421 0.08 1 625 . 76 VAL C C 171.893 0.08 1 626 . 77 VAL N N 130.343 0.02 1 627 . 77 VAL H H 7.683 0.02 1 628 . 77 VAL CA C 58.559 0.08 1 629 . 77 VAL HA H 5.045 0.02 1 630 . 77 VAL CB C 31.193 0.08 1 631 . 77 VAL HB H 1.795 0.02 1 632 . 77 VAL HG1 H 0.873 0.02 2 633 . 77 VAL HG2 H 0.775 0.02 2 634 . 77 VAL CG1 C 19.421 0.08 1 635 . 77 VAL CG2 C 19.933 0.08 1 636 . 77 VAL C C 174.242 0.08 1 637 . 78 THR N N 119.761 0.02 1 638 . 78 THR H H 9.711 0.02 1 639 . 78 THR CA C 57.996 0.08 1 640 . 78 THR HA H 6.000 0.02 1 641 . 78 THR CB C 69.609 0.08 1 642 . 78 THR HB H 3.986 0.02 1 643 . 78 THR HG2 H 0.884 0.02 1 644 . 78 THR CG2 C 19.069 0.08 1 645 . 78 THR C C 172.516 0.08 1 646 . 79 ASP N N 117.955 0.02 1 647 . 79 ASP H H 7.661 0.02 1 648 . 79 ASP CA C 51.013 0.08 1 649 . 79 ASP HA H 5.050 0.02 1 650 . 79 ASP CB C 40.050 0.08 1 651 . 79 ASP HB2 H 2.829 0.02 1 652 . 79 ASP HB3 H 3.548 0.02 1 653 . 79 ASP C C 178.430 0.08 1 654 . 80 MET N N 114.025 0.02 1 655 . 80 MET H H 7.835 0.02 1 656 . 80 MET CA C 53.043 0.08 1 657 . 80 MET HA H 4.663 0.02 1 658 . 80 MET CB C 26.488 0.08 1 659 . 80 MET HB2 H 1.982 0.02 1 660 . 80 MET HB3 H 2.121 0.02 1 661 . 80 MET CG C 30.143 0.08 1 662 . 80 MET HG2 H 2.686 0.02 1 663 . 80 MET HG3 H 2.686 0.02 1 664 . 80 MET C C 176.166 0.08 1 665 . 81 GLN N N 119.730 0.02 1 666 . 81 GLN H H 8.366 0.02 1 667 . 81 GLN CA C 53.692 0.08 1 668 . 81 GLN HA H 4.520 0.02 1 669 . 81 GLN CB C 27.138 0.08 1 670 . 81 GLN HB2 H 2.342 0.02 1 671 . 81 GLN HB3 H 2.342 0.02 1 672 . 81 GLN CG C 33.391 0.08 1 673 . 81 GLN HG2 H 2.501 0.02 1 674 . 81 GLN HG3 H 2.501 0.02 1 675 . 81 GLN C C 174.638 0.08 1 676 . 82 SER N N 111.425 0.02 1 677 . 82 SER H H 7.777 0.02 1 678 . 82 SER CA C 58.565 0.08 1 679 . 82 SER HA H 4.342 0.02 1 680 . 82 SER CB C 61.326 0.08 1 681 . 82 SER HB2 H 3.955 0.02 1 682 . 82 SER HB3 H 3.762 0.02 1 683 . 82 SER C C 170.818 0.08 1 684 . 83 LEU N N 122.844 0.02 1 685 . 83 LEU H H 8.677 0.02 1 686 . 83 LEU CA C 53.774 0.08 1 687 . 83 LEU HA H 4.138 0.02 1 688 . 83 LEU CB C 39.481 0.08 1 689 . 83 LEU HB2 H 2.016 0.02 1 690 . 83 LEU HB3 H 2.158 0.02 1 691 . 83 LEU CG C 23.484 0.08 1 692 . 83 LEU HG H 0.606 0.02 1 693 . 83 LEU HD1 H 0.840 0.02 2 694 . 83 LEU HD2 H 0.877 0.02 2 695 . 83 LEU CD1 C 20.398 0.08 1 696 . 83 LEU CD2 C 20.152 0.08 1 697 . 83 LEU C C 176.477 0.08 1 698 . 84 ARG N N 117.763 0.02 1 699 . 84 ARG H H 8.232 0.02 1 700 . 84 ARG CA C 56.042 0.08 1 701 . 84 ARG HA H 4.584 0.02 1 702 . 84 ARG CB C 29.569 0.08 1 703 . 84 ARG HB2 H 2.173 0.02 1 704 . 84 ARG HB3 H 2.173 0.02 1 705 . 84 ARG CG C 27.352 0.08 1 706 . 84 ARG HG2 H 0.964 0.02 1 707 . 84 ARG HG3 H 0.964 0.02 1 708 . 84 ARG CD C 41.425 0.08 1 709 . 84 ARG HD2 H 2.526 0.02 1 710 . 84 ARG HD3 H 2.619 0.02 1 711 . 84 ARG C C 176.675 0.08 1 712 . 85 TYR N N 123.169 0.02 1 713 . 85 TYR H H 10.629 0.02 1 714 . 85 TYR CA C 57.428 0.08 1 715 . 85 TYR HA H 4.302 0.02 1 716 . 85 TYR CB C 37.045 0.08 1 717 . 85 TYR HB2 H 2.966 0.02 1 718 . 85 TYR HB3 H 2.769 0.02 1 719 . 85 TYR HE1 H 6.313 0.02 3 720 . 85 TYR HE2 H 5.865 0.02 3 721 . 85 TYR HD1 H 7.396 0.02 3 722 . 85 TYR HD2 H 7.389 0.02 3 723 . 85 TYR C C 172.261 0.08 1 724 . 86 SER N N 110.256 0.02 1 725 . 86 SER H H 7.836 0.02 1 726 . 86 SER CA C 56.778 0.08 1 727 . 86 SER HA H 4.978 0.02 1 728 . 86 SER CB C 65.143 0.08 1 729 . 86 SER HB2 H 3.865 0.02 1 730 . 86 SER HB3 H 3.865 0.02 1 731 . 86 SER C C 171.328 0.08 1 732 . 87 HIS N N 116.984 0.02 1 733 . 87 HIS H H 9.029 0.02 1 734 . 87 HIS CA C 56.579 0.08 1 735 . 87 HIS HA H 4.443 0.02 1 736 . 87 HIS CB C 30.188 0.08 1 737 . 87 HIS HB2 H 3.154 0.02 2 738 . 87 HIS HB3 H 3.162 0.02 2 739 . 88 PRO CD C 48.084 0.08 1 740 . 88 PRO CA C 63.594 0.08 1 741 . 88 PRO HA H 4.313 0.02 1 742 . 88 PRO CB C 26.321 0.08 1 743 . 88 PRO HB2 H 1.672 0.02 1 744 . 88 PRO HB3 H 2.407 0.02 1 745 . 88 PRO CG C 30.625 0.08 1 746 . 88 PRO HG2 H 1.923 0.02 1 747 . 88 PRO HG3 H 1.923 0.02 1 748 . 88 PRO HD2 H 3.312 0.02 1 749 . 88 PRO HD3 H 3.312 0.02 1 750 . 88 PRO C C 176.477 0.08 1 751 . 89 GLU N N 121.673 0.02 1 752 . 89 GLU H H 11.724 0.02 1 753 . 89 GLU CA C 53.286 0.08 1 754 . 89 GLU HA H 4.457 0.02 1 755 . 89 GLU CB C 26.894 0.08 1 756 . 89 GLU HB2 H 1.731 0.02 1 757 . 89 GLU HB3 H 2.355 0.02 1 758 . 89 GLU CG C 34.823 0.08 1 759 . 89 GLU HG2 H 1.739 0.02 1 760 . 89 GLU HG3 H 1.739 0.02 1 761 . 89 GLU C C 174.214 0.08 1 762 . 90 ALA N N 127.361 0.02 1 763 . 90 ALA H H 8.333 0.02 1 764 . 90 ALA CA C 53.003 0.08 1 765 . 90 ALA HA H 3.887 0.02 1 766 . 90 ALA HB H 1.405 0.02 1 767 . 90 ALA CB C 16.222 0.08 1 768 . 90 ALA C C 177.977 0.08 1 769 . 91 GLN N N 117.744 0.02 1 770 . 91 GLN H H 9.176 0.02 1 771 . 91 GLN CA C 55.885 0.08 1 772 . 91 GLN HA H 4.149 0.02 1 773 . 91 GLN CB C 25.108 0.08 1 774 . 91 GLN HB2 H 1.949 0.02 1 775 . 91 GLN HB3 H 1.949 0.02 1 776 . 91 GLN CG C 31.361 0.08 1 777 . 91 GLN C C 174.497 0.08 1 778 . 92 ARG N N 117.754 0.02 1 779 . 92 ARG H H 8.142 0.02 1 780 . 92 ARG CA C 54.423 0.08 1 781 . 92 ARG HA H 3.912 0.02 1 782 . 92 ARG CB C 26.245 0.08 1 783 . 92 ARG HB2 H 1.009 0.02 1 784 . 92 ARG HB3 H 1.009 0.02 1 785 . 92 ARG CG C 34.741 0.08 1 786 . 92 ARG HG2 H 1.380 0.02 1 787 . 92 ARG HG3 H 1.380 0.02 1 788 . 92 ARG CD C 39.644 0.08 1 789 . 92 ARG HD2 H 2.181 0.02 1 790 . 92 ARG HD3 H 2.137 0.02 1 791 . 92 ARG C C 175.855 0.08 1 792 . 93 ILE N N 122.609 0.02 1 793 . 93 ILE H H 7.332 0.02 1 794 . 93 ILE CA C 62.457 0.08 1 795 . 93 ILE HA H 3.318 0.02 1 796 . 93 ILE CB C 35.659 0.08 1 797 . 93 ILE HB H 1.706 0.02 1 798 . 93 ILE HG2 H 0.923 0.02 1 799 . 93 ILE CG2 C 15.033 0.08 1 800 . 93 ILE CG1 C 28.188 0.08 1 801 . 93 ILE HG12 H 1.736 0.02 1 802 . 93 ILE HG13 H 1.736 0.02 1 803 . 93 ILE HD1 H 0.643 0.02 1 804 . 93 ILE CD1 C 11.704 0.08 1 805 . 93 ILE C C 175.402 0.08 1 806 . 94 GLY N N 115.578 0.02 1 807 . 94 GLY H H 10.014 0.02 1 808 . 94 GLY CA C 43.217 0.08 1 809 . 94 GLY HA2 H 4.337 0.02 1 810 . 94 GLY HA3 H 3.252 0.02 1 811 . 94 GLY C C 170.847 0.08 1 812 . 95 GLN N N 118.089 0.02 1 813 . 95 GLN H H 7.591 0.02 1 814 . 95 GLN CA C 50.814 0.08 1 815 . 95 GLN HA H 4.783 0.02 1 816 . 95 GLN CB C 26.534 0.08 1 817 . 95 GLN HB2 H 1.692 0.02 1 818 . 95 GLN HB3 H 1.692 0.02 1 819 . 95 GLN HG2 H 2.247 0.02 1 820 . 95 GLN HG3 H 2.247 0.02 1 821 . 95 GLN NE2 N 113.083 0.02 1 822 . 95 GLN HE21 H 7.382 0.02 1 823 . 95 GLN HE22 H 6.643 0.02 1 824 . 96 PRO CD C 49.226 0.08 1 825 . 96 PRO CA C 62.219 0.08 1 826 . 96 PRO HA H 4.352 0.02 1 827 . 96 PRO CB C 30.386 0.08 1 828 . 96 PRO HB2 H 2.307 0.02 1 829 . 96 PRO HB3 H 2.307 0.02 1 830 . 96 PRO CG C 26.563 0.08 1 831 . 96 PRO HG2 H 1.872 0.02 1 832 . 96 PRO HG3 H 1.997 0.02 1 833 . 96 PRO HD2 H 3.778 0.02 1 834 . 96 PRO HD3 H 3.778 0.02 1 835 . 96 PRO C C 175.742 0.08 1 836 . 97 PHE N N 120.325 0.02 1 837 . 97 PHE H H 8.545 0.02 1 838 . 97 PHE CA C 50.363 0.08 1 839 . 97 PHE HA H 4.708 0.02 1 840 . 97 PHE CB C 40.375 0.08 1 841 . 97 PHE HB2 H 2.815 0.02 1 842 . 97 PHE HB3 H 2.815 0.02 1 843 . 97 PHE C C 171.497 0.08 1 844 . 98 LYS N N 117.153 0.02 1 845 . 98 LYS H H 8.441 0.02 1 846 . 98 LYS CA C 53.611 0.08 1 847 . 98 LYS HA H 4.916 0.02 1 848 . 98 LYS CB C 32.010 0.08 1 849 . 98 LYS HB2 H 1.740 0.02 1 850 . 98 LYS HB3 H 1.601 0.02 1 851 . 98 LYS HG2 H 1.354 0.02 1 852 . 98 LYS HG3 H 1.354 0.02 1 853 . 98 LYS HD2 H 1.529 0.02 1 854 . 98 LYS HD3 H 1.529 0.02 1 855 . 98 LYS CE C 42.063 0.08 1 856 . 98 LYS HE2 H 3.140 0.02 1 857 . 98 LYS HE3 H 3.140 0.02 1 858 . 98 LYS C C 171.214 0.08 1 859 . 99 GLY N N 115.309 0.02 1 860 . 99 GLY H H 8.270 0.02 1 861 . 99 GLY CA C 43.054 0.08 1 862 . 99 GLY HA2 H 4.271 0.02 1 863 . 99 GLY HA3 H 3.576 0.02 1 864 . 99 GLY C C 173.195 0.08 1 865 . 100 ASP N N 128.201 0.02 1 866 . 100 ASP H H 8.893 0.02 1 867 . 100 ASP CA C 53.443 0.08 1 868 . 100 ASP HA H 4.475 0.02 1 869 . 100 ASP CB C 38.096 0.08 1 870 . 100 ASP HB2 H 2.752 0.02 1 871 . 100 ASP HB3 H 2.752 0.02 1 872 . 100 ASP C C 175.317 0.08 1 873 . 101 ASP N N 119.730 0.02 1 874 . 101 ASP H H 10.380 0.02 1 875 . 101 ASP CA C 52.474 0.08 1 876 . 101 ASP HA H 3.918 0.02 1 877 . 101 ASP CB C 35.096 0.08 1 878 . 101 ASP HB2 H 2.684 0.02 1 879 . 101 ASP HB3 H 2.365 0.02 1 880 . 101 ASP C C 174.214 0.08 1 881 . 102 ILE N N 115.532 0.02 1 882 . 102 ILE H H 6.555 0.02 1 883 . 102 ILE CA C 60.270 0.08 1 884 . 102 ILE HA H 2.861 0.02 1 885 . 102 ILE CB C 36.396 0.08 1 886 . 102 ILE HB H 0.995 0.02 1 887 . 102 ILE HG2 H 0.715 0.02 1 888 . 102 ILE CG2 C 13.658 0.08 1 889 . 102 ILE CG1 C 28.732 0.08 1 890 . 102 ILE HG12 H 0.702 0.02 1 891 . 102 ILE HG13 H 0.702 0.02 1 892 . 102 ILE HD1 H 0.035 0.02 1 893 . 102 ILE CD1 C 10.978 0.08 1 894 . 102 ILE C C 175.091 0.08 1 895 . 103 LEU N N 122.341 0.02 1 896 . 103 LEU H H 7.183 0.02 1 897 . 103 LEU CA C 57.028 0.08 1 898 . 103 LEU HA H 3.678 0.02 1 899 . 103 LEU CB C 38.574 0.08 1 900 . 103 LEU HB2 H 1.750 0.02 1 901 . 103 LEU HB3 H 1.630 0.02 1 902 . 103 LEU CG C 25.927 0.08 1 903 . 103 LEU HG H 1.335 0.02 1 904 . 103 LEU HD1 H 0.917 0.02 2 905 . 103 LEU HD2 H 0.787 0.02 2 906 . 103 LEU CD1 C 23.149 0.08 1 907 . 103 LEU CD2 C 20.810 0.08 1 908 . 103 LEU C C 178.458 0.08 1 909 . 104 LYS N N 117.382 0.02 1 910 . 104 LYS H H 7.698 0.02 1 911 . 104 LYS CA C 57.672 0.08 1 912 . 104 LYS HA H 3.875 0.02 1 913 . 104 LYS CB C 31.523 0.08 1 914 . 104 LYS HB2 H 1.401 0.02 1 915 . 104 LYS HB3 H 1.401 0.02 1 916 . 104 LYS CG C 23.484 0.08 1 917 . 104 LYS HG2 H 1.211 0.02 1 918 . 104 LYS HG3 H 1.211 0.02 1 919 . 104 LYS CD C 27.219 0.08 1 920 . 104 LYS HD2 H 1.530 0.02 1 921 . 104 LYS HD3 H 1.530 0.02 1 922 . 104 LYS CE C 40.293 0.08 1 923 . 104 LYS HE2 H 2.917 0.02 1 924 . 104 LYS HE3 H 2.917 0.02 1 925 . 104 LYS C C 176.789 0.08 1 926 . 105 ALA N N 119.997 0.02 1 927 . 105 ALA H H 6.489 0.02 1 928 . 105 ALA CA C 51.337 0.08 1 929 . 105 ALA HA H 5.178 0.02 1 930 . 105 ALA HB H 1.080 0.02 1 931 . 105 ALA CB C 17.881 0.08 1 932 . 105 ALA C C 179.760 0.08 1 933 . 106 LEU N N 121.438 0.02 1 934 . 106 LEU H H 7.784 0.02 1 935 . 106 LEU CA C 55.154 0.08 1 936 . 106 LEU HA H 3.842 0.02 1 937 . 106 LEU CB C 39.644 0.08 1 938 . 106 LEU HB2 H 1.795 0.02 1 939 . 106 LEU HB3 H 1.379 0.02 1 940 . 106 LEU CG C 24.864 0.08 1 941 . 106 LEU HG H 2.620 0.02 1 942 . 106 LEU HD1 H 0.736 0.02 2 943 . 106 LEU CD1 C 21.378 0.08 1 944 . 106 LEU CD2 C 20.992 0.08 1 945 . 106 LEU C C 174.355 0.08 1 946 . 107 ASN N N 115.665 0.02 1 947 . 107 ASN H H 7.166 0.02 1 948 . 107 ASN CA C 50.850 0.08 1 949 . 107 ASN HA H 4.882 0.02 1 950 . 107 ASN CB C 38.101 0.08 1 951 . 107 ASN HB2 H 3.065 0.02 1 952 . 107 ASN HB3 H 2.550 0.02 1 953 . 107 ASN ND2 N 113.619 0.02 1 954 . 107 ASN HD21 H 7.492 0.02 1 955 . 107 ASN HD22 H 6.742 0.02 1 956 . 107 ASN C C 174.242 0.08 1 957 . 108 GLY N N 107.333 0.02 1 958 . 108 GLY H H 7.622 0.02 1 959 . 108 GLY CA C 44.332 0.08 1 960 . 108 GLY HA2 H 4.159 0.02 1 961 . 108 GLY HA3 H 3.677 0.02 1 962 . 108 GLY C C 172.120 0.08 1 963 . 109 GLU N N 119.461 0.02 1 964 . 109 GLU H H 7.511 0.02 1 965 . 109 GLU CA C 53.049 0.08 1 966 . 109 GLU HA H 5.054 0.02 1 967 . 109 GLU CB C 31.264 0.08 1 968 . 109 GLU HB2 H 1.735 0.02 1 969 . 109 GLU HB3 H 2.252 0.02 1 970 . 109 GLU CG C 34.914 0.08 1 971 . 109 GLU HG2 H 2.136 0.02 2 972 . 109 GLU HG3 H 2.164 0.02 2 973 . 109 GLU C C 173.474 0.08 1 974 . 110 GLU N N 116.393 0.02 1 975 . 110 GLU H H 8.174 0.02 1 976 . 110 GLU CA C 54.657 0.08 1 977 . 110 GLU HA H 4.638 0.02 1 978 . 110 GLU CB C 30.194 0.08 1 979 . 110 GLU HB2 H 2.028 0.02 1 980 . 110 GLU HB3 H 2.028 0.02 1 981 . 110 GLU CG C 36.089 0.08 1 982 . 110 GLU HG2 H 2.300 0.02 2 983 . 110 GLU HG3 H 2.310 0.02 2 984 . 110 GLU C C 172.348 0.08 1 985 . 111 ASN N N 121.815 0.02 1 986 . 111 ASN H H 8.052 0.02 1 987 . 111 ASN CA C 50.119 0.08 1 988 . 111 ASN HA H 5.296 0.02 1 989 . 111 ASN CB C 40.537 0.08 1 990 . 111 ASN HB2 H 2.389 0.02 1 991 . 111 ASN HB3 H 2.228 0.02 1 992 . 111 ASN HD21 H 6.801 0.02 1 993 . 111 ASN C C 171.016 0.08 1 994 . 112 VAL N N 123.949 0.02 1 995 . 112 VAL H H 7.493 0.02 1 996 . 112 VAL CA C 59.783 0.08 1 997 . 112 VAL HA H 5.335 0.02 1 998 . 112 VAL CB C 33.635 0.08 1 999 . 112 VAL HB H 1.959 0.02 1 1000 . 112 VAL HG1 H 0.992 0.02 2 1001 . 112 VAL HG2 H 0.877 0.02 2 1002 . 112 VAL CG1 C 19.424 0.08 1 1003 . 112 VAL CG2 C 19.202 0.08 1 1004 . 112 VAL C C 173.195 0.08 1 1005 . 113 ALA N N 131.178 0.02 1 1006 . 113 ALA H H 9.909 0.02 1 1007 . 113 ALA CA C 50.363 0.08 1 1008 . 113 ALA HA H 4.717 0.02 1 1009 . 113 ALA HB H 1.638 0.02 1 1010 . 113 ALA CB C 22.428 0.08 1 1011 . 113 ALA C C 173.450 0.08 1 1012 . 114 ILE N N 120.147 0.02 1 1013 . 114 ILE H H 8.371 0.02 1 1014 . 114 ILE CA C 58.565 0.08 1 1015 . 114 ILE HA H 5.279 0.02 1 1016 . 114 ILE CB C 37.045 0.08 1 1017 . 114 ILE HB H 1.706 0.02 1 1018 . 114 ILE HG2 H 0.778 0.02 1 1019 . 114 ILE CG2 C 16.257 0.08 1 1020 . 114 ILE CG1 C 26.651 0.08 1 1021 . 114 ILE HG12 H 0.642 0.02 1 1022 . 114 ILE HG13 H 0.642 0.02 1 1023 . 114 ILE HD1 H 0.775 0.02 1 1024 . 114 ILE CD1 C 11.628 0.08 1 1025 . 114 ILE C C 174.808 0.08 1 1026 . 115 ASN N N 125.489 0.02 1 1027 . 115 ASN H H 8.822 0.02 1 1028 . 115 ASN CA C 49.921 0.08 1 1029 . 115 ASN HA H 4.974 0.02 1 1030 . 115 ASN CB C 39.933 0.08 1 1031 . 115 ASN HB2 H 2.848 0.02 1 1032 . 115 ASN HB3 H 2.821 0.02 1 1033 . 115 ASN C C 178.490 0.08 1 1034 . 116 ARG N N 112.042 0.02 1 1035 . 116 ARG H H 7.252 0.02 1 1036 . 116 ARG CA C 53.268 0.08 1 1037 . 116 ARG HA H 4.909 0.02 1 1038 . 116 ARG CB C 31.995 0.08 1 1039 . 116 ARG HB2 H 1.716 0.02 1 1040 . 116 ARG HB3 H 1.716 0.02 1 1041 . 116 ARG CG C 22.561 0.08 1 1042 . 116 ARG CD C 42.668 0.08 1 1043 . 116 ARG C C 172.476 0.08 1 1044 . 117 GLY N N 113.917 0.02 1 1045 . 117 GLY H H 7.055 0.02 1 1046 . 117 GLY CA C 43.293 0.08 1 1047 . 117 GLY HA2 H 3.728 0.02 1 1048 . 117 GLY HA3 H 3.934 0.02 1 1049 . 117 GLY C C 175.496 0.08 1 1050 . 118 PHE N N 126.313 0.02 1 1051 . 118 PHE H H 9.240 0.02 1 1052 . 118 PHE CA C 56.119 0.08 1 1053 . 118 PHE HA H 4.322 0.02 1 1054 . 118 PHE CB C 38.867 0.08 1 1055 . 118 PHE HB2 H 3.169 0.02 1 1056 . 118 PHE HB3 H 3.169 0.02 1 1057 . 118 PHE C C 175.650 0.08 1 1058 . 119 LEU N N 126.165 0.02 1 1059 . 119 LEU H H 10.206 0.02 1 1060 . 119 LEU CA C 51.337 0.08 1 1061 . 119 LEU HA H 4.567 0.02 1 1062 . 119 LEU CB C 40.862 0.08 1 1063 . 119 LEU HB2 H 1.467 0.02 1 1064 . 119 LEU HB3 H 1.467 0.02 1 1065 . 119 LEU CG C 28.813 0.08 1 1066 . 119 LEU HG H 1.863 0.02 1 1067 . 119 LEU HD1 H 0.869 0.02 2 1068 . 119 LEU HD2 H 0.583 0.02 2 1069 . 119 LEU CD1 C 24.997 0.08 1 1070 . 120 ALA N N 118.475 0.02 1 1071 . 120 ALA H H 7.275 0.02 1 1072 . 120 ALA CA C 50.282 0.08 1 1073 . 120 ALA HA H 4.106 0.02 1 1074 . 120 ALA HB H 1.467 0.02 1 1075 . 120 ALA CB C 18.936 0.08 1 1076 . 120 ALA C C 173.931 0.08 1 1077 . 121 GLN N N 117.855 0.02 1 1078 . 121 GLN H H 8.308 0.02 1 1079 . 121 GLN CA C 56.210 0.08 1 1080 . 121 GLN HA H 4.021 0.02 1 1081 . 121 GLN CB C 26.732 0.08 1 1082 . 121 GLN HB2 H 1.895 0.02 1 1083 . 121 GLN HB3 H 1.895 0.02 1 1084 . 121 GLN CG C 32.092 0.08 1 1085 . 121 GLN HG2 H 2.170 0.02 2 1086 . 121 GLN HG3 H 2.182 0.02 2 1087 . 121 GLN NE2 N 110.942 0.02 1 1088 . 121 GLN HE21 H 6.771 0.02 1 1089 . 121 GLN HE22 H 7.162 0.02 1 1090 . 121 GLN C C 174.978 0.08 1 1091 . 122 ALA N N 129.299 0.02 1 1092 . 122 ALA H H 8.885 0.02 1 1093 . 122 ALA CA C 49.434 0.08 1 1094 . 122 ALA HA H 5.120 0.02 1 1095 . 122 ALA HB H 1.273 0.02 1 1096 . 122 ALA CB C 20.931 0.08 1 1097 . 122 ALA C C 173.648 0.08 1 1098 . 123 LEU N N 123.243 0.02 1 1099 . 123 LEU H H 8.565 0.02 1 1100 . 123 LEU CA C 52.925 0.08 1 1101 . 123 LEU HA H 4.711 0.02 1 1102 . 123 LEU CB C 41.836 0.08 1 1103 . 123 LEU HB2 H 1.822 0.02 1 1104 . 123 LEU HB3 H 1.822 0.02 1 1105 . 123 LEU CG C 24.621 0.08 1 1106 . 123 LEU HG H 1.300 0.02 1 1107 . 123 LEU HD1 H 0.847 0.02 2 1108 . 123 LEU HD2 H 0.949 0.02 2 1109 . 123 LEU CD1 C 22.915 0.08 1 1110 . 123 LEU CD2 C 22.479 0.08 1 1111 . 124 ARG N N 129.631 0.02 1 1112 . 124 ARG H H 9.663 0.02 1 1113 . 124 ARG CA C 53.205 0.08 1 1114 . 124 ARG HA H 5.178 0.02 1 1115 . 124 ARG CB C 31.523 0.08 1 1116 . 124 ARG HB2 H 1.761 0.02 1 1117 . 124 ARG HB3 H 1.761 0.02 1 1118 . 124 ARG CG C 25.595 0.08 1 1119 . 124 ARG HG2 H 1.736 0.02 1 1120 . 124 ARG HG3 H 1.781 0.02 1 1121 . 124 ARG CD C 43.867 0.08 1 1122 . 124 ARG HD2 H 3.755 0.02 1 1123 . 124 ARG HD3 H 3.635 0.02 1 1124 . 124 ARG C C 172.686 0.08 1 1125 . 125 VAL N N 114.039 0.02 1 1126 . 125 VAL H H 8.882 0.02 1 1127 . 125 VAL CA C 56.046 0.08 1 1128 . 125 VAL HA H 5.529 0.02 1 1129 . 125 VAL CB C 31.776 0.08 1 1130 . 125 VAL HB H 1.992 0.02 1 1131 . 125 VAL HG1 H 0.950 0.02 2 1132 . 125 VAL HG2 H 0.554 0.02 2 1133 . 125 VAL CG1 C 19.129 0.08 1 1134 . 125 VAL CG2 C 17.886 0.08 1 1135 . 125 VAL C C 172.403 0.08 1 1136 . 126 PHE N N 117.555 0.02 1 1137 . 126 PHE H H 8.524 0.02 1 1138 . 126 PHE CA C 53.737 0.08 1 1139 . 126 PHE HA H 5.618 0.02 1 1140 . 126 PHE CB C 42.856 0.08 1 1141 . 126 PHE HB2 H 2.518 0.02 1 1142 . 126 PHE HB3 H 2.518 0.02 1 1143 . 126 PHE HZ H 8.047 0.02 1 1144 . 126 PHE HD1 H 6.973 0.02 3 1145 . 126 PHE HD2 H 6.949 0.02 3 1146 . 126 PHE HE1 H 6.782 0.02 3 1147 . 126 PHE HE2 H 6.774 0.02 3 1148 . 126 PHE C C 174.100 0.08 1 1149 . 127 THR N N 114.869 0.02 1 1150 . 127 THR H H 8.770 0.02 1 1151 . 127 THR CA C 56.661 0.08 1 1152 . 127 THR HA H 5.265 0.02 1 1153 . 127 THR CB C 69.409 0.08 1 1154 . 127 THR HB H 3.863 0.02 1 1155 . 127 THR HG2 H 0.984 0.02 1 1156 . 127 THR CG2 C 19.813 0.08 1 1157 . 128 PRO CD C 51.013 0.08 1 1158 . 128 PRO CA C 61.245 0.08 1 1159 . 128 PRO HA H 4.620 0.02 1 1160 . 128 PRO CB C 31.929 0.08 1 1161 . 128 PRO HB2 H 1.784 0.02 1 1162 . 128 PRO HB3 H 1.302 0.02 1 1163 . 128 PRO CG C 25.676 0.08 1 1164 . 128 PRO HG2 H 1.939 0.02 1 1165 . 128 PRO HG3 H 1.939 0.02 1 1166 . 128 PRO HD2 H 3.617 0.02 1 1167 . 128 PRO HD3 H 3.617 0.02 1 1168 . 128 PRO C C 172.035 0.08 1 1169 . 129 ILE N N 118.041 0.02 1 1170 . 129 ILE H H 7.518 0.02 1 1171 . 129 ILE CA C 58.646 0.08 1 1172 . 129 ILE HA H 4.159 0.02 1 1173 . 129 ILE CB C 38.309 0.08 1 1174 . 129 ILE HB H 0.982 0.02 1 1175 . 129 ILE HG2 H 0.652 0.02 1 1176 . 129 ILE CG2 C 15.444 0.08 1 1177 . 129 ILE CG1 C 25.758 0.08 1 1178 . 129 ILE HG12 H 0.761 0.02 1 1179 . 129 ILE HG13 H 0.761 0.02 1 1180 . 129 ILE HD1 H 0.687 0.02 1 1181 . 129 ILE CD1 C 14.308 0.08 1 1182 . 129 ILE C C 173.421 0.08 1 1183 . 130 TYR N N 127.530 0.02 1 1184 . 130 TYR H H 9.327 0.02 1 1185 . 130 TYR CA C 55.235 0.08 1 1186 . 130 TYR HA H 5.135 0.02 1 1187 . 130 TYR CB C 40.781 0.08 1 1188 . 130 TYR HB2 H 2.690 0.02 1 1189 . 130 TYR HB3 H 2.690 0.02 1 1190 . 130 TYR HE1 H 6.570 0.02 3 1191 . 130 TYR HE2 H 6.558 0.02 3 1192 . 130 TYR HD1 H 7.475 0.02 1 1193 . 130 TYR HD2 H 7.475 0.02 1 1194 . 130 TYR C C 174.157 0.08 1 1195 . 131 ASP N N 119.629 0.02 1 1196 . 131 ASP H H 8.822 0.02 1 1197 . 131 ASP CA C 50.363 0.08 1 1198 . 131 ASP HA H 4.539 0.02 1 1199 . 131 ASP CB C 39.400 0.08 1 1200 . 131 ASP HB2 H 2.707 0.02 1 1201 . 131 ASP HB3 H 3.286 0.02 1 1202 . 131 ASP C C 176.873 0.08 1 1203 . 132 GLU N N 117.922 0.02 1 1204 . 132 GLU H H 9.442 0.02 1 1205 . 132 GLU CA C 57.103 0.08 1 1206 . 132 GLU HA H 4.052 0.02 1 1207 . 132 GLU CB C 27.138 0.08 1 1208 . 132 GLU HB2 H 2.003 0.02 1 1209 . 132 GLU HB3 H 2.003 0.02 1 1210 . 132 GLU CG C 34.284 0.08 1 1211 . 132 GLU HG2 H 2.380 0.02 1 1212 . 132 GLU HG3 H 2.380 0.02 1 1213 . 132 GLU C C 175.147 0.08 1 1214 . 133 ASN N N 118.557 0.02 1 1215 . 133 ASN H H 8.434 0.02 1 1216 . 133 ASN CA C 51.094 0.08 1 1217 . 133 ASN HA H 4.867 0.02 1 1218 . 133 ASN CB C 37.532 0.08 1 1219 . 133 ASN HB2 H 2.947 0.02 1 1220 . 133 ASN HB3 H 2.690 0.02 1 1221 . 133 ASN ND2 N 115.760 0.02 1 1222 . 133 ASN HD21 H 7.872 0.02 1 1223 . 133 ASN HD22 H 6.921 0.02 1 1224 . 133 ASN C C 173.223 0.08 1 1225 . 134 HIS N N 116.637 0.02 1 1226 . 134 HIS H H 8.339 0.02 1 1227 . 134 HIS CA C 56.697 0.08 1 1228 . 134 HIS HA H 3.752 0.02 1 1229 . 134 HIS CB C 25.839 0.08 1 1230 . 134 HIS HB2 H 3.494 0.02 1 1231 . 134 HIS HB3 H 3.001 0.02 1 1232 . 134 HIS HD2 H 6.580 0.02 1 1233 . 134 HIS C C 171.639 0.08 1 1234 . 135 LYS N N 121.591 0.02 1 1235 . 135 LYS H H 8.557 0.02 1 1236 . 135 LYS CA C 53.368 0.08 1 1237 . 135 LYS HA H 4.575 0.02 1 1238 . 135 LYS CB C 31.036 0.08 1 1239 . 135 LYS HB3 H 1.845 0.02 1 1240 . 135 LYS HB2 H 1.834 0.02 2 1241 . 135 LYS CG C 22.997 0.08 1 1242 . 135 LYS HG2 H 1.300 0.02 1 1243 . 135 LYS HG3 H 1.300 0.02 1 1244 . 135 LYS CD C 27.382 0.08 1 1245 . 135 LYS HD2 H 1.623 0.02 1 1246 . 135 LYS HD3 H 1.623 0.02 1 1247 . 135 LYS CE C 40.781 0.08 1 1248 . 135 LYS HE2 H 2.987 0.02 1 1249 . 135 LYS HE3 H 2.987 0.02 1 1250 . 135 LYS C C 175.232 0.08 1 1251 . 136 GLN N N 128.671 0.02 1 1252 . 136 GLN H H 9.196 0.02 1 1253 . 136 GLN CA C 55.885 0.08 1 1254 . 136 GLN HA H 4.243 0.02 1 1255 . 136 GLN CB C 24.910 0.08 1 1256 . 136 GLN HB2 H 1.817 0.02 1 1257 . 136 GLN HB3 H 1.817 0.02 1 1258 . 136 GLN CG C 33.229 0.08 1 1259 . 136 GLN HG2 H 0.981 0.02 1 1260 . 136 GLN HG3 H 0.863 0.02 1 1261 . 136 GLN NE2 N 108.534 0.02 1 1262 . 136 GLN HE21 H 6.477 0.02 1 1263 . 136 GLN HE22 H 7.734 0.02 1 1264 . 136 GLN C C 175.204 0.08 1 1265 . 137 ILE N N 118.392 0.02 1 1266 . 137 ILE H H 8.927 0.02 1 1267 . 137 ILE CA C 59.783 0.08 1 1268 . 137 ILE HA H 4.510 0.02 1 1269 . 137 ILE CB C 38.669 0.08 1 1270 . 137 ILE HB H 2.047 0.02 1 1271 . 137 ILE HG2 H 0.939 0.02 1 1272 . 137 ILE CG1 C 16.581 0.08 1 1273 . 137 ILE HG12 H 0.790 0.02 1 1274 . 137 ILE HG13 H 0.790 0.02 1 1275 . 137 ILE HD1 H 0.872 0.02 1 1276 . 137 ILE CD1 C 13.089 0.08 1 1277 . 137 ILE C C 173.704 0.08 1 1278 . 138 GLY N N 109.115 0.02 1 1279 . 138 GLY H H 7.377 0.02 1 1280 . 138 GLY CA C 45.085 0.08 1 1281 . 138 GLY HA2 H 4.602 0.02 1 1282 . 138 GLY HA3 H 3.567 0.02 1 1283 . 138 GLY C C 170.733 0.08 1 1284 . 139 VAL N N 124.410 0.02 1 1285 . 139 VAL H H 8.653 0.02 1 1286 . 139 VAL CA C 60.270 0.08 1 1287 . 139 VAL HA H 4.422 0.02 1 1288 . 139 VAL CB C 35.827 0.08 1 1289 . 139 VAL HB H 2.117 0.02 1 1290 . 139 VAL HG1 H 0.795 0.02 2 1291 . 139 VAL HG2 H 0.497 0.02 2 1292 . 139 VAL CG1 C 21.048 0.08 1 1293 . 139 VAL CG2 C 20.883 0.08 1 1294 . 139 VAL C C 172.516 0.08 1 1295 . 140 VAL N N 124.049 0.02 1 1296 . 140 VAL H H 8.912 0.02 1 1297 . 140 VAL CA C 61.163 0.08 1 1298 . 140 VAL HA H 4.345 0.02 1 1299 . 140 VAL CB C 31.848 0.08 1 1300 . 140 VAL HB H 2.003 0.02 1 1301 . 140 VAL HG1 H 0.840 0.02 2 1302 . 140 VAL HG2 H 0.795 0.02 2 1303 . 140 VAL CG1 C 20.398 0.08 1 1304 . 140 VAL CG2 C 19.586 0.08 1 1305 . 140 VAL C C 171.130 0.08 1 1306 . 141 ALA N N 131.818 0.02 1 1307 . 141 ALA H H 9.095 0.02 1 1308 . 141 ALA CA C 47.440 0.08 1 1309 . 141 ALA HA H 5.245 0.02 1 1310 . 141 ALA HB H 1.216 0.02 1 1311 . 141 ALA CB C 21.697 0.08 1 1312 . 141 ALA C C 174.497 0.08 1 1313 . 142 ILE N N 123.134 0.02 1 1314 . 142 ILE H H 8.897 0.02 1 1315 . 142 ILE CA C 57.716 0.08 1 1316 . 142 ILE HA H 4.392 0.02 1 1317 . 142 ILE CB C 38.471 0.08 1 1318 . 142 ILE HB H 1.362 0.02 1 1319 . 142 ILE HG2 H 0.702 0.02 1 1320 . 142 ILE HG12 H 0.909 0.02 1 1321 . 142 ILE HG13 H 0.909 0.02 1 1322 . 142 ILE HD1 H 0.619 0.02 1 1323 . 142 ILE CD1 C 11.937 0.08 1 1324 . 143 GLY CA C 42.562 0.08 1 1325 . 143 GLY HA2 H 4.967 0.02 1 1326 . 143 GLY HA3 H 2.195 0.02 1 1327 . 143 GLY C C 169.828 0.08 1 1328 . 144 LEU N N 123.780 0.02 1 1329 . 144 LEU H H 8.994 0.02 1 1330 . 144 LEU CA C 51.825 0.08 1 1331 . 144 LEU HA H 4.647 0.02 1 1332 . 144 LEU CB C 42.892 0.08 1 1333 . 144 LEU HB2 H 2.765 0.02 1 1334 . 144 LEU HB3 H 3.108 0.02 1 1335 . 144 LEU CG C 25.728 0.08 1 1336 . 144 LEU HG H 1.856 0.02 1 1337 . 144 LEU HD1 H 0.824 0.02 2 1338 . 144 LEU HD2 H 0.989 0.02 2 1339 . 144 LEU CD1 C 24.215 0.08 1 1340 . 144 LEU CD2 C 24.864 0.08 1 1341 . 144 LEU C C 173.931 0.08 1 1342 . 145 GLU N N 126.183 0.02 1 1343 . 145 GLU H H 9.348 0.02 1 1344 . 145 GLU CA C 56.697 0.08 1 1345 . 145 GLU HA H 3.943 0.02 1 1346 . 145 GLU CB C 28.843 0.08 1 1347 . 145 GLU HB2 H 2.063 0.02 2 1348 . 145 GLU HB3 H 2.083 0.02 2 1349 . 145 GLU CG C 34.690 0.08 1 1350 . 145 GLU HG2 H 3.173 0.02 1 1351 . 145 GLU HG3 H 3.173 0.02 1 1352 . 145 GLU C C 175.883 0.08 1 1353 . 146 LEU N N 130.308 0.02 1 1354 . 146 LEU H H 8.606 0.02 1 1355 . 146 LEU CA C 54.312 0.08 1 1356 . 146 LEU HA H 4.020 0.02 1 1357 . 146 LEU CB C 40.095 0.08 1 1358 . 146 LEU HB2 H 1.664 0.02 2 1359 . 146 LEU HB3 H 1.692 0.02 2 1360 . 146 LEU HG H 1.273 0.02 1 1361 . 146 LEU HD1 H 0.861 0.02 2 1362 . 146 LEU C C 177.185 0.08 1 1363 . 147 SER N N 114.285 0.02 1 1364 . 147 SER H H 8.698 0.02 1 1365 . 147 SER CA C 58.808 0.08 1 1366 . 147 SER HA H 3.891 0.02 1 1367 . 147 SER CB C 60.839 0.08 1 1368 . 147 SER HB2 H 4.209 0.02 1 1369 . 147 SER HB3 H 4.209 0.02 1 1370 . 147 SER C C 174.214 0.08 1 1371 . 148 ARG N N 120.568 0.02 1 1372 . 148 ARG H H 7.470 0.02 1 1373 . 148 ARG CA C 55.723 0.08 1 1374 . 148 ARG HA H 4.334 0.02 1 1375 . 148 ARG CB C 29.006 0.08 1 1376 . 148 ARG HB2 H 2.036 0.02 1 1377 . 148 ARG HB3 H 1.882 0.02 1 1378 . 148 ARG CG C 25.971 0.08 1 1379 . 148 ARG HG2 H 1.675 0.02 1 1380 . 148 ARG HG3 H 1.675 0.02 1 1381 . 148 ARG CD C 41.836 0.08 1 1382 . 148 ARG HD2 H 3.174 0.02 1 1383 . 148 ARG HD3 H 3.174 0.02 1 1384 . 148 ARG HE H 6.773 0.02 1 1385 . 148 ARG C C 176.025 0.08 1 1386 . 149 VAL N N 118.055 0.02 1 1387 . 149 VAL H H 7.736 0.02 1 1388 . 149 VAL CA C 61.975 0.08 1 1389 . 149 VAL HA H 3.988 0.02 1 1390 . 149 VAL CB C 30.305 0.08 1 1391 . 149 VAL HB H 2.282 0.02 1 1392 . 149 VAL HG1 H 0.945 0.02 2 1393 . 149 VAL HG2 H 0.911 0.02 2 1394 . 149 VAL CG1 C 19.830 0.08 1 1395 . 149 VAL CG2 C 19.640 0.08 1 1396 . 149 VAL C C 175.119 0.08 1 1397 . 150 THR N N 114.538 0.02 1 1398 . 150 THR H H 8.087 0.02 1 1399 . 150 THR CA C 62.300 0.08 1 1400 . 150 THR HA H 4.170 0.02 1 1401 . 150 THR CB C 67.741 0.08 1 1402 . 150 THR HB H 4.355 0.02 1 1403 . 150 THR HG2 H 1.207 0.02 1 1404 . 150 THR CG2 C 19.748 0.08 1 1405 . 150 THR C C 173.421 0.08 1 1406 . 151 GLN N N 121.799 0.02 1 1407 . 151 GLN H H 7.984 0.02 1 1408 . 151 GLN CA C 55.154 0.08 1 1409 . 151 GLN HA H 4.234 0.02 1 1410 . 151 GLN CB C 27.382 0.08 1 1411 . 151 GLN HB2 H 2.078 0.02 1 1412 . 151 GLN HB3 H 2.078 0.02 1 1413 . 151 GLN CG C 32.254 0.08 1 1414 . 151 GLN HG2 H 2.398 0.02 1 1415 . 151 GLN HG3 H 2.398 0.02 1 1416 . 151 GLN C C 174.666 0.08 1 1417 . 152 GLN N N 120.837 0.02 1 1418 . 152 GLN H H 8.206 0.02 1 1419 . 152 GLN CA C 54.829 0.08 1 1420 . 152 GLN HA H 4.267 0.02 1 1421 . 152 GLN CB C 27.625 0.08 1 1422 . 152 GLN HB2 H 2.024 0.02 1 1423 . 152 GLN HB3 H 2.024 0.02 1 1424 . 152 GLN CG C 32.254 0.08 1 1425 . 152 GLN HG2 H 2.349 0.02 2 1426 . 152 GLN HG3 H 2.387 0.02 2 1427 . 152 GLN C C 175.034 0.08 1 1428 . 153 ILE N N 121.137 0.02 1 1429 . 153 ILE H H 8.113 0.02 1 1430 . 153 ILE CA C 60.229 0.08 1 1431 . 153 ILE HA H 4.052 0.02 1 1432 . 153 ILE CB C 36.883 0.08 1 1433 . 153 ILE HB H 1.821 0.02 1 1434 . 153 ILE HG2 H 1.158 0.02 1 1435 . 153 ILE CG2 C 15.850 0.08 1 1436 . 153 ILE CG1 C 25.595 0.08 1 1437 . 153 ILE HG12 H 1.467 0.02 1 1438 . 153 ILE HG13 H 1.467 0.02 1 1439 . 153 ILE HD1 H 0.858 0.02 1 1440 . 153 ILE CD1 C 11.628 0.08 1 1441 . 153 ILE C C 175.345 0.08 1 1442 . 154 ASN N N 122.343 0.02 1 1443 . 154 ASN H H 8.479 0.02 1 1444 . 154 ASN CA C 51.879 0.08 1 1445 . 154 ASN HA H 4.326 0.02 1 1446 . 154 ASN CB C 37.405 0.08 1 1447 . 154 ASN HB2 H 2.833 0.02 1 1448 . 154 ASN HB3 H 2.833 0.02 1 1449 . 154 ASN HD21 H 7.375 0.02 1 1450 . 154 ASN HD22 H 7.731 0.02 1 1451 . 154 ASN C C 173.761 0.08 1 1452 . 155 ASP N N 121.578 0.02 1 1453 . 155 ASP H H 8.294 0.02 1 1454 . 155 ASP CA C 52.718 0.08 1 1455 . 155 ASP HA H 4.621 0.02 1 1456 . 155 ASP CB C 39.725 0.08 1 1457 . 155 ASP HB2 H 2.668 0.02 1 1458 . 155 ASP HB3 H 2.668 0.02 1 1459 . 155 ASP C C 174.666 0.08 1 1460 . 156 SER N N 116.415 0.02 1 1461 . 156 SER H H 8.143 0.02 1 1462 . 156 SER CA C 56.697 0.08 1 1463 . 156 SER HA H 4.427 0.02 1 1464 . 156 SER CB C 62.300 0.08 1 1465 . 156 SER HB2 H 3.870 0.02 1 1466 . 156 SER HB3 H 3.870 0.02 1 1467 . 156 SER HG H 3.421 0.02 1 1468 . 156 SER C C 172.176 0.08 1 1469 . 157 ARG N N 128.704 0.02 1 1470 . 157 ARG H H 7.889 0.02 1 1471 . 157 ARG CA C 55.443 0.08 1 1472 . 157 ARG HA H 4.174 0.02 1 1473 . 157 ARG CB C 29.214 0.08 1 1474 . 157 ARG HB2 H 1.651 0.02 1 1475 . 157 ARG HB3 H 1.651 0.02 1 1476 . 157 ARG CG C 29.476 0.08 1 1477 . 157 ARG HG2 H 1.837 0.02 1 1478 . 157 ARG HG3 H 1.837 0.02 1 1479 . 157 ARG CD C 41.738 0.08 1 1480 . 157 ARG HD2 H 3.143 0.02 1 1481 . 157 ARG HD3 H 2.885 0.02 1 stop_ save_