data_7059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Resonance Assignments of the Pyrazinamidase from Mycobacterium Tuberculosis ; _BMRB_accession_number 7059 _BMRB_flat_file_name bmr7059.str _Entry_type original _Submission_date 2006-04-10 _Accession_date 2006-04-10 _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 Son Woo-Sung . . 2 Kim Won-Je . . 3 Kim Yong-Jin . . 4 Suh Se-Won . . 5 Lee Bong-Jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 882 "13C chemical shifts" 679 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2006-10-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments of the Pyrazinamidase from Mycobacterium Tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17131033 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Son Woo-Sung . . 2 Kim Won-Je . . 3 Kim Yong-Jin . . 4 Suh Se-Won . . 5 Ikegami Takahisa . . 6 Akutsu Hideo . . 7 Lee Bong-Jin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 60 _Page_last 60 _Year 2006 _Details . loop_ _Keyword 'Mycobacterium Tuberculosis' NMR PncA Pyrazinamidase PZA-resistance 'Resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pyrazinamidase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pyrazinamidase $Pyrazinamidase_polypeptide stop_ _System_molecular_weight 19604.6 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pyrazinamidase_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pyrazinamidase _Molecular_mass 19604.6 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; MRALIIVDVQNDFCEGGSLA VTGGAALARAISDYLAEAAD YHHVVATKDFHIDPGDHFSG TPDYSSSWPPHCVSGTPGAD FHPSLDTSAIEAVFYKGAYT GAYSGFEGVDENGTPLLNWL RQRGVDEVDVVGIATDHCVR QTAEDAVRNGLATRVLVDLT AGVSADTTVAALEEMRTASV ELVCSS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ALA 4 LEU 5 ILE 6 ILE 7 VAL 8 ASP 9 VAL 10 GLN 11 ASN 12 ASP 13 PHE 14 CYS 15 GLU 16 GLY 17 GLY 18 SER 19 LEU 20 ALA 21 VAL 22 THR 23 GLY 24 GLY 25 ALA 26 ALA 27 LEU 28 ALA 29 ARG 30 ALA 31 ILE 32 SER 33 ASP 34 TYR 35 LEU 36 ALA 37 GLU 38 ALA 39 ALA 40 ASP 41 TYR 42 HIS 43 HIS 44 VAL 45 VAL 46 ALA 47 THR 48 LYS 49 ASP 50 PHE 51 HIS 52 ILE 53 ASP 54 PRO 55 GLY 56 ASP 57 HIS 58 PHE 59 SER 60 GLY 61 THR 62 PRO 63 ASP 64 TYR 65 SER 66 SER 67 SER 68 TRP 69 PRO 70 PRO 71 HIS 72 CYS 73 VAL 74 SER 75 GLY 76 THR 77 PRO 78 GLY 79 ALA 80 ASP 81 PHE 82 HIS 83 PRO 84 SER 85 LEU 86 ASP 87 THR 88 SER 89 ALA 90 ILE 91 GLU 92 ALA 93 VAL 94 PHE 95 TYR 96 LYS 97 GLY 98 ALA 99 TYR 100 THR 101 GLY 102 ALA 103 TYR 104 SER 105 GLY 106 PHE 107 GLU 108 GLY 109 VAL 110 ASP 111 GLU 112 ASN 113 GLY 114 THR 115 PRO 116 LEU 117 LEU 118 ASN 119 TRP 120 LEU 121 ARG 122 GLN 123 ARG 124 GLY 125 VAL 126 ASP 127 GLU 128 VAL 129 ASP 130 VAL 131 VAL 132 GLY 133 ILE 134 ALA 135 THR 136 ASP 137 HIS 138 CYS 139 VAL 140 ARG 141 GLN 142 THR 143 ALA 144 GLU 145 ASP 146 ALA 147 VAL 148 ARG 149 ASN 150 GLY 151 LEU 152 ALA 153 THR 154 ARG 155 VAL 156 LEU 157 VAL 158 ASP 159 LEU 160 THR 161 ALA 162 GLY 163 VAL 164 SER 165 ALA 166 ASP 167 THR 168 THR 169 VAL 170 ALA 171 ALA 172 LEU 173 GLU 174 GLU 175 MET 176 ARG 177 THR 178 ALA 179 SER 180 VAL 181 GLU 182 LEU 183 VAL 184 CYS 185 SER 186 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3PL1 "Determination Of The Crystal Structure Of The Pyrazinamidase From M.tuberculosis : A Structure-function Analysis For Prediction" 100.00 186 100.00 100.00 2.23e-131 DBJ BAH26342 "pyrazinamidase/nicotinamidase [Mycobacterium bovis BCG str. Tokyo 172]" 100.00 186 99.46 99.46 6.26e-130 DBJ BAL66049 "pyrazinamidase/nicotinamidas [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 100.00 186 100.00 100.00 2.23e-131 DBJ BAO48146 "pyrazinamidase [Mycobacterium tuberculosis]" 100.00 186 99.46 99.46 1.05e-129 DBJ BAQ06101 "pyrazinamidase/nicotinamidas [Mycobacterium tuberculosis str. Kurono]" 100.00 186 100.00 100.00 2.23e-131 DBJ GAA45748 "pyrazinamidase/nicotinamidas [Mycobacterium tuberculosis NCGM2209]" 100.00 186 100.00 100.00 2.23e-131 EMBL CAD96922 "PYRAZINAMIDASE/NICOTINAMIDAS PNCA (PZase) [Mycobacterium bovis AF2122/97]" 100.00 186 99.46 99.46 6.26e-130 EMBL CAL72050 "Pyrazinamidase/nicotinamidas pncA [Mycobacterium bovis BCG str. Pasteur 1173P2]" 100.00 186 99.46 99.46 6.26e-130 EMBL CCC27128 "pyrazinamidase/nicotinamidas PNCA (PZase) [Mycobacterium africanum GM041182]" 100.00 186 100.00 100.00 2.23e-131 EMBL CCC44398 "pyrazinamidase/nicotinamidas PNCA (PZase) [Mycobacterium canettii CIPT 140010059]" 100.00 186 100.00 100.00 2.23e-131 EMBL CCC64640 "Pyrazinamidase/nicotinamidas pncA [Mycobacterium bovis BCG str. Moreau RDJ]" 100.00 186 99.46 99.46 6.26e-130 GB AAB37768 "pyrazinamidase/nicotinamidase [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 100.00 186 100.00 100.00 2.23e-131 GB AAK38743 "PncA [Mycobacterium bovis]" 100.00 186 99.46 99.46 6.26e-130 GB AAK46382 "pyrazinamidase/nicotinamidase [Mycobacterium tuberculosis CDC1551]" 100.00 186 100.00 100.00 2.23e-131 GB AAV33179 "pyrazinamidase [Mycobacterium tuberculosis]" 100.00 186 98.92 99.46 5.61e-130 GB AAV33180 "truncated pyrazinamidase [Mycobacterium tuberculosis]" 54.84 113 98.04 98.04 6.14e-65 REF NP_216559 "pyrazinamidase/nicotinamidase PncA [Mycobacterium tuberculosis H37Rv]" 100.00 186 100.00 100.00 2.23e-131 REF NP_336568 "pyrazinamidase/nicotinamidase [Mycobacterium tuberculosis CDC1551]" 100.00 186 100.00 100.00 2.23e-131 REF NP_855719 "pyrazinamidase [Mycobacterium bovis AF2122/97]" 100.00 186 99.46 99.46 6.26e-130 REF WP_003410243 "MULTISPECIES: amidase [Mycobacterium tuberculosis complex]" 100.00 186 100.00 100.00 2.23e-131 REF WP_003906725 "pyrazinamidase/nicotinamidase [Mycobacterium tuberculosis]" 66.13 125 99.19 99.19 9.23e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pyrazinamidase_polypeptide 'Mycobacterium Tuberculosis' 1773 Eubacteria . Mycobacterium tuberculosis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Pyrazinamidase_polypeptide 'recombinant technology' . . . . plasmid pET-22b(+) 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 $Pyrazinamidase_polypeptide 0.8 mM 0.5 1.5 '[U-13C; U-15N; 70%-2H]' DTT 10 mM . . . NaN3 1 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pyrazinamidase_polypeptide 0.8 mM 0.5 1.5 '[U-13C; U-15N]' DTT 10 mM . . . NaN3 1 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pyrazinamidase_polypeptide 0.8 mM 0.5 1.5 [U-15N] DTT 10 mM . . . NaN3 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with Cryoprobe' save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with Cryoprobe' save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_1H15N_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TROSY _Sample_label . save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label . save_ save_3D_TROSY-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label . save_ save_3D_TROSY-HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label . save_ save_3D_TROSY-HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label . save_ save_3D_TROSY-HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label . save_ save_3D_TROSY-HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label . save_ save_3D_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label . save_ save_3D_(H)CC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label . save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_15N-edited_NOESY-TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _Sample_label . save_ save_3D_13C-edited_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label . save_ save_3D_13C-edited_TOCSY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited TOCSY-HSQC' _Sample_label . save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HN(CO)CACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_(H)CC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-edited_NOESY-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-edited_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-edited_TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.05 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView stop_ loop_ _Experiment_label 1H15N_HSQC 1H15N_TROSY 3D_TROSY-HNCA 3D_TROSY-HN(CO)CA 3D_TROSY-HNCACB 3D_TROSY-HN(CO)CACB 3D_TROSY-HN(CA)CO 3D_TROSY-HNCO 3D_CC(CO)NH 3D_(H)CC(CO)NH 3D_HNHA 3D_HBHA(CO)NH 3D_15N-edited_NOESY-TROSY 3D_13C-edited_NOESY-HSQC 3D_13C-edited_TOCSY-HSQC 3D_HCCH-COSY 3D_HCCH-TOCSY stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Pyrazinamidase _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 1 MET HA H 3.906 0.02 1 2 1 1 MET HB2 H 2.069 0.02 1 3 1 1 MET HB3 H 2.069 0.02 1 4 1 1 MET C C 171.789 0.35 1 5 1 1 MET CA C 55.868 0.35 1 6 1 1 MET CB C 32.002 0.35 1 7 2 2 ARG H H 10.550 0.02 1 8 2 2 ARG HA H 5.777 0.02 1 9 2 2 ARG HB2 H 2.058 0.02 1 10 2 2 ARG HB3 H 2.058 0.02 1 11 2 2 ARG HG2 H 1.742 0.02 2 12 2 2 ARG HG3 H 1.616 0.02 2 13 2 2 ARG HD2 H 3.342 0.02 2 14 2 2 ARG HD3 H 2.936 0.02 2 15 2 2 ARG C C 176.114 0.35 1 16 2 2 ARG CA C 55.386 0.35 1 17 2 2 ARG CB C 33.385 0.35 1 18 2 2 ARG CG C 26.232 0.35 1 19 2 2 ARG CD C 42.595 0.35 1 20 2 2 ARG N N 129.488 0.2 1 21 3 3 ALA H H 8.815 0.02 1 22 3 3 ALA HA H 6.022 0.02 1 23 3 3 ALA HB H 1.424 0.02 1 24 3 3 ALA C C 174.421 0.35 1 25 3 3 ALA CA C 49.146 0.35 1 26 3 3 ALA CB C 23.592 0.35 1 27 3 3 ALA N N 125.427 0.2 1 28 4 4 LEU H H 7.926 0.02 1 29 4 4 LEU HA H 4.699 0.02 1 30 4 4 LEU HB2 H 1.340 0.02 1 31 4 4 LEU HB3 H 1.340 0.02 1 32 4 4 LEU HG H 1.074 0.02 1 33 4 4 LEU HD1 H 0.841 0.02 2 34 4 4 LEU HD2 H 0.679 0.02 2 35 4 4 LEU C C 174.285 0.35 1 36 4 4 LEU CA C 52.864 0.35 1 37 4 4 LEU CB C 42.484 0.35 1 38 4 4 LEU CG C 25.973 0.35 1 39 4 4 LEU CD1 C 22.722 0.35 1 40 4 4 LEU CD2 C 22.722 0.35 1 41 4 4 LEU N N 122.857 0.2 1 42 5 5 ILE H H 9.087 0.02 1 43 5 5 ILE HA H 4.180 0.02 1 44 5 5 ILE HB H 1.712 0.02 1 45 5 5 ILE HG12 H 1.394 0.02 2 46 5 5 ILE HG13 H 1.166 0.02 2 47 5 5 ILE HG2 H 0.505 0.02 1 48 5 5 ILE HD1 H 0.434 0.02 1 49 5 5 ILE C C 174.219 0.35 1 50 5 5 ILE CA C 59.905 0.35 1 51 5 5 ILE CB C 38.606 0.35 1 52 5 5 ILE CG1 C 25.207 0.35 1 53 5 5 ILE CD1 C 12.516 0.35 1 54 5 5 ILE N N 124.350 0.2 1 55 6 6 ILE H H 8.756 0.02 1 56 6 6 ILE HA H 4.063 0.02 1 57 6 6 ILE HB H 1.803 0.02 1 58 6 6 ILE HG12 H 1.552 0.02 2 59 6 6 ILE HG13 H 1.162 0.02 2 60 6 6 ILE HG2 H 0.747 0.02 1 61 6 6 ILE HD1 H 0.543 0.02 1 62 6 6 ILE C C 176.334 0.35 1 63 6 6 ILE CA C 60.437 0.35 1 64 6 6 ILE CB C 37.656 0.35 1 65 6 6 ILE CG1 C 31.873 0.35 1 66 6 6 ILE CG2 C 24.203 0.35 1 67 6 6 ILE CD1 C 16.935 0.35 1 68 6 6 ILE N N 126.032 0.2 1 69 7 7 VAL H H 9.298 0.02 1 70 7 7 VAL HA H 4.451 0.02 1 71 7 7 VAL HB H 1.976 0.02 1 72 7 7 VAL HG1 H 0.996 0.02 2 73 7 7 VAL HG2 H 1.210 0.02 2 74 7 7 VAL C C 173.677 0.35 1 75 7 7 VAL CA C 62.565 0.35 1 76 7 7 VAL CB C 31.410 0.35 1 77 7 7 VAL CG1 C 22.698 0.35 1 78 7 7 VAL CG2 C 22.698 0.35 1 79 7 7 VAL N N 133.169 0.2 1 80 8 8 ASP H H 7.698 0.02 1 81 8 8 ASP HA H 4.136 0.02 1 82 8 8 ASP HB2 H 2.939 0.02 1 83 8 8 ASP HB3 H 2.939 0.02 1 84 8 8 ASP C C 175.045 0.35 1 85 8 8 ASP CA C 55.269 0.35 1 86 8 8 ASP CB C 38.717 0.35 1 87 8 8 ASP N N 127.372 0.2 1 88 9 9 VAL H H 8.894 0.02 1 89 9 9 VAL HA H 4.164 0.02 1 90 9 9 VAL HB H 2.110 0.02 1 91 9 9 VAL HG1 H 0.431 0.02 2 92 9 9 VAL HG2 H 0.951 0.02 2 93 9 9 VAL C C 176.304 0.35 1 94 9 9 VAL CA C 61.403 0.35 1 95 9 9 VAL CB C 27.773 0.35 1 96 9 9 VAL CG1 C 22.012 0.35 1 97 9 9 VAL CG2 C 22.012 0.35 1 98 9 9 VAL N N 120.560 0.2 1 99 10 10 GLN H H 7.671 0.02 1 100 10 10 GLN HA H 5.072 0.02 1 101 10 10 GLN HB2 H 2.249 0.02 2 102 10 10 GLN HB3 H 1.616 0.02 2 103 10 10 GLN HG2 H 2.789 0.02 2 104 10 10 GLN HG3 H 2.278 0.02 2 105 10 10 GLN C C 177.651 0.35 1 106 10 10 GLN CA C 53.353 0.35 1 107 10 10 GLN CB C 35.877 0.35 1 108 10 10 GLN CG C 32.231 0.35 1 109 10 10 GLN N N 119.934 0.2 1 110 11 11 ASN H H 8.636 0.02 1 111 11 11 ASN HA H 4.514 0.02 1 112 11 11 ASN HB2 H 2.999 0.02 2 113 11 11 ASN HB3 H 2.704 0.02 2 114 11 11 ASN HD21 H 7.284 0.02 1 115 11 11 ASN HD22 H 6.492 0.02 1 116 11 11 ASN C C 179.974 0.35 1 117 11 11 ASN CA C 56.776 0.35 1 118 11 11 ASN CB C 37.198 0.35 1 119 11 11 ASN N N 119.928 0.2 1 120 12 12 ASP H H 8.868 0.02 1 121 12 12 ASP HA H 5.002 0.02 1 122 12 12 ASP HB2 H 2.420 0.02 1 123 12 12 ASP HB3 H 2.420 0.02 1 124 12 12 ASP C C 175.617 0.35 1 125 12 12 ASP CA C 57.228 0.35 1 126 12 12 ASP CB C 40.276 0.35 1 127 12 12 ASP N N 116.886 0.2 1 128 13 13 PHE H H 7.513 0.02 1 129 13 13 PHE HA H 5.339 0.02 1 130 13 13 PHE HB2 H 3.899 0.02 2 131 13 13 PHE HB3 H 2.744 0.02 2 132 13 13 PHE C C 175.116 0.35 1 133 13 13 PHE CA C 55.991 0.35 1 134 13 13 PHE CB C 39.882 0.35 1 135 13 13 PHE N N 114.620 0.2 1 136 14 14 CYS H H 7.566 0.02 1 137 14 14 CYS HA H 5.079 0.02 1 138 14 14 CYS HB2 H 3.187 0.02 2 139 14 14 CYS HB3 H 2.732 0.02 2 140 14 14 CYS C C 172.562 0.35 1 141 14 14 CYS CA C 57.252 0.35 1 142 14 14 CYS CB C 32.124 0.35 1 143 14 14 CYS N N 116.249 0.2 1 144 15 15 GLU H H 11.002 0.02 1 145 15 15 GLU HA H 3.945 0.02 1 146 15 15 GLU HB2 H 2.080 0.02 2 147 15 15 GLU HB3 H 1.927 0.02 2 148 15 15 GLU HG2 H 2.701 0.02 2 149 15 15 GLU HG3 H 2.419 0.02 2 150 15 15 GLU C C 178.022 0.35 1 151 15 15 GLU CA C 61.485 0.35 1 152 15 15 GLU CB C 27.851 0.35 1 153 15 15 GLU CG C 37.044 0.35 1 154 15 15 GLU N N 122.781 0.2 1 155 16 16 GLY H H 8.826 0.02 1 156 16 16 GLY HA2 H 3.623 0.02 2 157 16 16 GLY HA3 H 4.397 0.02 2 158 16 16 GLY C C 175.371 0.35 1 159 16 16 GLY CA C 44.675 0.35 1 160 16 16 GLY N N 114.539 0.2 1 161 17 17 GLY H H 9.052 0.02 1 162 17 17 GLY HA2 H 4.365 0.02 2 163 17 17 GLY HA3 H 3.184 0.02 2 164 17 17 GLY C C 174.841 0.35 1 165 17 17 GLY CA C 44.161 0.35 1 166 17 17 GLY N N 109.545 0.2 1 167 18 18 SER H H 8.531 0.02 1 168 18 18 SER HA H 5.019 0.02 1 169 18 18 SER HB2 H 3.869 0.02 2 170 18 18 SER HB3 H 4.161 0.02 2 171 18 18 SER C C 175.290 0.35 1 172 18 18 SER CA C 60.702 0.35 1 173 18 18 SER CB C 63.663 0.35 1 174 18 18 SER N N 116.069 0.2 1 175 19 19 LEU H H 8.799 0.02 1 176 19 19 LEU HA H 4.723 0.02 1 177 19 19 LEU HB2 H 1.853 0.02 2 178 19 19 LEU HB3 H 0.936 0.02 2 179 19 19 LEU HG H 1.236 0.02 1 180 19 19 LEU HD1 H 0.844 0.02 2 181 19 19 LEU HD2 H 0.673 0.02 2 182 19 19 LEU C C 175.415 0.35 1 183 19 19 LEU CA C 52.490 0.35 1 184 19 19 LEU CB C 41.994 0.35 1 185 19 19 LEU CG C 26.353 0.35 1 186 19 19 LEU N N 126.904 0.2 1 187 20 20 ALA H H 6.442 0.02 1 188 20 20 ALA HA H 4.216 0.02 1 189 20 20 ALA HB H 1.193 0.02 1 190 20 20 ALA C C 177.966 0.35 1 191 20 20 ALA CA C 53.800 0.35 1 192 20 20 ALA CB C 20.799 0.35 1 193 20 20 ALA N N 118.438 0.2 1 194 21 21 VAL H H 7.851 0.02 1 195 21 21 VAL HA H 4.204 0.02 1 196 21 21 VAL HB H 2.303 0.02 1 197 21 21 VAL HG1 H 0.743 0.02 2 198 21 21 VAL HG2 H 0.980 0.02 2 199 21 21 VAL C C 176.028 0.35 1 200 21 21 VAL CA C 60.949 0.35 1 201 21 21 VAL CB C 31.980 0.35 1 202 21 21 VAL CG1 C 20.849 0.35 2 203 21 21 VAL CG2 C 22.933 0.35 2 204 21 21 VAL N N 124.666 0.2 1 205 22 22 THR H H 8.588 0.02 1 206 22 22 THR HA H 3.780 0.02 1 207 22 22 THR HB H 4.195 0.02 1 208 22 22 THR HG2 H 1.241 0.02 1 209 22 22 THR C C 175.290 0.35 1 210 22 22 THR CA C 65.181 0.35 1 211 22 22 THR CB C 68.159 0.35 1 212 22 22 THR CG2 C 20.824 0.35 1 213 22 22 THR N N 123.521 0.2 1 214 23 23 GLY H H 9.423 0.02 1 215 23 23 GLY HA2 H 4.399 0.02 2 216 23 23 GLY HA3 H 3.792 0.02 2 217 23 23 GLY C C 176.305 0.35 1 218 23 23 GLY CA C 44.329 0.35 1 219 23 23 GLY N N 116.314 0.2 1 220 24 24 GLY H H 8.807 0.02 1 221 24 24 GLY HA2 H 3.998 0.02 2 222 24 24 GLY HA3 H 3.529 0.02 2 223 24 24 GLY C C 173.872 0.35 1 224 24 24 GLY CA C 48.522 0.35 1 225 24 24 GLY N N 112.649 0.2 1 226 25 25 ALA H H 9.820 0.02 1 227 25 25 ALA HA H 3.144 0.02 1 228 25 25 ALA HB H 1.363 0.02 1 229 25 25 ALA C C 181.441 0.35 1 230 25 25 ALA CA C 55.047 0.35 1 231 25 25 ALA CB C 17.811 0.35 1 232 25 25 ALA N N 124.343 0.2 1 233 26 26 ALA H H 8.628 0.02 1 234 26 26 ALA HA H 3.992 0.02 1 235 26 26 ALA HB H 1.353 0.02 1 236 26 26 ALA C C 180.754 0.35 1 237 26 26 ALA CA C 54.126 0.35 1 238 26 26 ALA CB C 17.268 0.35 1 239 26 26 ALA N N 121.278 0.2 1 240 27 27 LEU H H 8.183 0.02 1 241 27 27 LEU HA H 4.123 0.02 1 242 27 27 LEU HB2 H 2.044 0.02 2 243 27 27 LEU HB3 H 1.525 0.02 2 244 27 27 LEU HG H 1.361 0.02 1 245 27 27 LEU HD1 H 0.778 0.02 2 246 27 27 LEU HD2 H 0.681 0.02 2 247 27 27 LEU C C 178.179 0.35 1 248 27 27 LEU CA C 56.879 0.35 1 249 27 27 LEU CB C 40.358 0.35 1 250 27 27 LEU CG C 25.625 0.35 1 251 27 27 LEU N N 121.926 0.2 1 252 28 28 ALA H H 7.896 0.02 1 253 28 28 ALA HA H 3.617 0.02 1 254 28 28 ALA HB H 1.093 0.02 1 255 28 28 ALA C C 178.704 0.35 1 256 28 28 ALA CA C 55.768 0.35 1 257 28 28 ALA CB C 18.271 0.35 1 258 28 28 ALA N N 121.344 0.2 1 259 29 29 ARG H H 6.809 0.02 1 260 29 29 ARG HA H 4.164 0.02 1 261 29 29 ARG HB2 H 2.110 0.02 1 262 29 29 ARG HB3 H 2.110 0.02 1 263 29 29 ARG HG2 H 1.861 0.02 2 264 29 29 ARG HG3 H 1.611 0.02 2 265 29 29 ARG HD2 H 3.145 0.02 2 266 29 29 ARG HD3 H 3.048 0.02 2 267 29 29 ARG C C 177.247 0.35 1 268 29 29 ARG CA C 57.833 0.35 1 269 29 29 ARG CB C 29.174 0.35 1 270 29 29 ARG CG C 25.564 0.35 1 271 29 29 ARG CD C 42.339 0.35 1 272 29 29 ARG N N 114.721 0.2 1 273 30 30 ALA H H 8.232 0.02 1 274 30 30 ALA HA H 4.125 0.02 1 275 30 30 ALA HB H 1.375 0.02 1 276 30 30 ALA C C 181.168 0.35 1 277 30 30 ALA CA C 55.038 0.35 1 278 30 30 ALA CB C 17.819 0.35 1 279 30 30 ALA N N 122.862 0.2 1 280 31 31 ILE H H 9.087 0.02 1 281 31 31 ILE HA H 3.662 0.02 1 282 31 31 ILE HB H 1.772 0.02 1 283 31 31 ILE HG12 H 2.063 0.02 2 284 31 31 ILE HG13 H 0.846 0.02 2 285 31 31 ILE HG2 H 0.753 0.02 1 286 31 31 ILE HD1 H 0.720 0.02 1 287 31 31 ILE C C 177.637 0.35 1 288 31 31 ILE CA C 65.936 0.35 1 289 31 31 ILE CB C 37.305 0.35 1 290 31 31 ILE CG1 C 30.675 0.35 1 291 31 31 ILE CG2 C 18.899 0.35 1 292 31 31 ILE CD1 C 14.168 0.35 1 293 31 31 ILE N N 119.245 0.2 1 294 32 32 SER H H 7.776 0.02 1 295 32 32 SER HA H 4.417 0.02 1 296 32 32 SER HB2 H 4.142 0.02 1 297 32 32 SER HB3 H 4.142 0.02 1 298 32 32 SER C C 176.696 0.35 1 299 32 32 SER CA C 62.767 0.35 1 300 32 32 SER CB C 61.801 0.35 1 301 32 32 SER N N 117.292 0.2 1 302 33 33 ASP H H 8.635 0.02 1 303 33 33 ASP HA H 4.417 0.02 1 304 33 33 ASP HB2 H 3.142 0.02 2 305 33 33 ASP HB3 H 2.961 0.02 2 306 33 33 ASP C C 178.542 0.35 1 307 33 33 ASP CA C 57.213 0.35 1 308 33 33 ASP CB C 39.553 0.35 1 309 33 33 ASP N N 123.299 0.2 1 310 34 34 TYR H H 8.418 0.02 1 311 34 34 TYR HA H 4.365 0.02 1 312 34 34 TYR HB2 H 3.189 0.02 1 313 34 34 TYR HB3 H 3.189 0.02 1 314 34 34 TYR HD1 H 6.946 0.02 1 315 34 34 TYR HD2 H 6.946 0.02 1 316 34 34 TYR C C 177.917 0.35 1 317 34 34 TYR CA C 60.263 0.35 1 318 34 34 TYR CB C 38.071 0.35 1 319 34 34 TYR N N 122.198 0.2 1 320 35 35 LEU H H 8.628 0.02 1 321 35 35 LEU HA H 3.717 0.02 1 322 35 35 LEU HB2 H 1.966 0.02 2 323 35 35 LEU HB3 H 1.443 0.02 2 324 35 35 LEU HG H 1.306 0.02 1 325 35 35 LEU HD1 H 0.747 0.02 1 326 35 35 LEU HD2 H 0.747 0.02 1 327 35 35 LEU C C 178.509 0.35 1 328 35 35 LEU CA C 56.949 0.35 1 329 35 35 LEU CB C 41.226 0.35 1 330 35 35 LEU CG C 26.347 0.35 1 331 35 35 LEU CD1 C 19.344 0.35 1 332 35 35 LEU CD2 C 19.344 0.35 1 333 35 35 LEU N N 118.668 0.2 1 334 36 36 ALA H H 7.505 0.02 1 335 36 36 ALA HA H 4.124 0.02 1 336 36 36 ALA HB H 1.504 0.02 1 337 36 36 ALA C C 178.791 0.35 1 338 36 36 ALA CA C 53.846 0.35 1 339 36 36 ALA CB C 18.255 0.35 1 340 36 36 ALA N N 118.851 0.2 1 341 37 37 GLU H H 7.399 0.02 1 342 37 37 GLU HA H 4.403 0.02 1 343 37 37 GLU HB2 H 1.944 0.02 1 344 37 37 GLU HB3 H 1.944 0.02 1 345 37 37 GLU HG2 H 2.220 0.02 1 346 37 37 GLU HG3 H 2.220 0.02 1 347 37 37 GLU C C 176.379 0.35 1 348 37 37 GLU CA C 55.955 0.35 1 349 37 37 GLU CB C 31.065 0.35 1 350 37 37 GLU CG C 34.386 0.35 1 351 37 37 GLU N N 114.187 0.2 1 352 38 38 ALA H H 7.839 0.02 1 353 38 38 ALA HA H 4.148 0.02 1 354 38 38 ALA HB H 1.077 0.02 1 355 38 38 ALA C C 177.228 0.35 1 356 38 38 ALA CA C 52.724 0.35 1 357 38 38 ALA CB C 18.519 0.35 1 358 38 38 ALA N N 123.233 0.2 1 359 39 39 ALA H H 7.924 0.02 1 360 39 39 ALA HA H 4.157 0.02 1 361 39 39 ALA HB H 1.186 0.02 1 362 39 39 ALA C C 177.554 0.35 1 363 39 39 ALA CA C 52.015 0.35 1 364 39 39 ALA CB C 19.405 0.35 1 365 39 39 ALA N N 123.041 0.2 1 366 40 40 ASP H H 7.590 0.02 1 367 40 40 ASP HA H 4.399 0.02 1 368 40 40 ASP HB2 H 2.349 0.02 2 369 40 40 ASP HB3 H 2.090 0.02 2 370 40 40 ASP C C 175.410 0.35 1 371 40 40 ASP CA C 53.951 0.35 1 372 40 40 ASP CB C 40.419 0.35 1 373 40 40 ASP N N 117.147 0.2 1 374 41 41 TYR H H 7.884 0.02 1 375 41 41 TYR HA H 4.538 0.02 1 376 41 41 TYR HB2 H 3.038 0.02 2 377 41 41 TYR HB3 H 2.592 0.02 2 378 41 41 TYR HD1 H 6.778 0.02 1 379 41 41 TYR HD2 H 6.778 0.02 1 380 41 41 TYR C C 175.889 0.35 1 381 41 41 TYR CA C 58.102 0.35 1 382 41 41 TYR CB C 39.417 0.35 1 383 41 41 TYR N N 116.997 0.2 1 384 42 42 HIS H H 8.735 0.02 1 385 42 42 HIS HA H 4.254 0.02 1 386 42 42 HIS HB2 H 2.957 0.02 1 387 42 42 HIS HB3 H 2.957 0.02 1 388 42 42 HIS C C 175.467 0.35 1 389 42 42 HIS CA C 59.242 0.35 1 390 42 42 HIS CB C 31.612 0.35 1 391 42 42 HIS N N 121.390 0.2 1 392 43 43 HIS H H 7.517 0.02 1 393 43 43 HIS HA H 5.620 0.02 1 394 43 43 HIS HB2 H 3.413 0.02 2 395 43 43 HIS HB3 H 2.606 0.02 2 396 43 43 HIS C C 173.656 0.35 1 397 43 43 HIS CA C 54.625 0.35 1 398 43 43 HIS CB C 34.220 0.35 1 399 43 43 HIS N N 110.161 0.2 1 400 44 44 VAL H H 8.282 0.02 1 401 44 44 VAL HA H 4.681 0.02 1 402 44 44 VAL HB H 2.345 0.02 1 403 44 44 VAL HG1 H 0.743 0.02 2 404 44 44 VAL HG2 H 0.851 0.02 2 405 44 44 VAL C C 174.537 0.35 1 406 44 44 VAL CA C 62.148 0.35 1 407 44 44 VAL CB C 33.173 0.35 1 408 44 44 VAL CG1 C 19.400 0.35 2 409 44 44 VAL CG2 C 22.411 0.35 2 410 44 44 VAL N N 122.939 0.2 1 411 45 45 VAL H H 9.080 0.02 1 412 45 45 VAL HA H 5.063 0.02 1 413 45 45 VAL HB H 2.109 0.02 1 414 45 45 VAL HG1 H 0.241 0.02 2 415 45 45 VAL HG2 H 0.429 0.02 2 416 45 45 VAL C C 173.080 0.35 1 417 45 45 VAL CA C 58.184 0.35 1 418 45 45 VAL CB C 34.933 0.35 1 419 45 45 VAL CG1 C 22.268 0.35 1 420 45 45 VAL CG2 C 22.268 0.35 1 421 45 45 VAL N N 117.979 0.2 1 422 46 46 ALA H H 8.159 0.02 1 423 46 46 ALA HA H 5.600 0.02 1 424 46 46 ALA HB H 1.514 0.02 1 425 46 46 ALA C C 176.316 0.35 1 426 46 46 ALA CA C 49.645 0.35 1 427 46 46 ALA CB C 24.311 0.35 1 428 46 46 ALA N N 119.424 0.2 1 429 47 47 THR H H 8.634 0.02 1 430 47 47 THR HA H 5.301 0.02 1 431 47 47 THR HB H 4.950 0.02 1 432 47 47 THR HG2 H 0.704 0.02 1 433 47 47 THR C C 173.465 0.35 1 434 47 47 THR CA C 59.720 0.35 1 435 47 47 THR CB C 70.383 0.35 1 436 47 47 THR CG2 C 23.916 0.35 1 437 47 47 THR N N 109.449 0.2 1 438 48 48 LYS H H 8.339 0.02 1 439 48 48 LYS HA H 4.204 0.02 1 440 48 48 LYS HB2 H 1.869 0.02 1 441 48 48 LYS HB3 H 1.869 0.02 1 442 48 48 LYS HG2 H 1.597 0.02 1 443 48 48 LYS HG3 H 1.597 0.02 1 444 48 48 LYS HD2 H 1.816 0.02 1 445 48 48 LYS HD3 H 1.816 0.02 1 446 48 48 LYS HE2 H 3.132 0.02 1 447 48 48 LYS HE3 H 3.132 0.02 1 448 48 48 LYS C C 176.608 0.35 1 449 48 48 LYS CA C 57.695 0.35 1 450 48 48 LYS CB C 35.149 0.35 1 451 48 48 LYS CG C 25.637 0.35 1 452 48 48 LYS CD C 30.869 0.35 1 453 48 48 LYS CE C 42.625 0.35 1 454 48 48 LYS N N 119.582 0.2 1 455 49 49 ASP H H 7.576 0.02 1 456 49 49 ASP HA H 4.550 0.02 1 457 49 49 ASP HB2 H 2.581 0.02 1 458 49 49 ASP HB3 H 2.581 0.02 1 459 49 49 ASP C C 175.535 0.35 1 460 49 49 ASP CA C 53.804 0.35 1 461 49 49 ASP CB C 40.418 0.35 1 462 49 49 ASP N N 117.321 0.2 1 463 50 50 PHE H H 7.962 0.02 1 464 50 50 PHE HA H 4.569 0.02 1 465 50 50 PHE HB2 H 3.105 0.02 1 466 50 50 PHE HB3 H 3.105 0.02 1 467 50 50 PHE C C 176.256 0.35 1 468 50 50 PHE CA C 54.546 0.35 1 469 50 50 PHE CB C 41.751 0.35 1 470 50 50 PHE N N 119.928 0.2 1 471 51 51 HIS H H 8.008 0.02 1 472 51 51 HIS HA H 4.431 0.02 1 473 51 51 HIS HB2 H 1.364 0.02 1 474 51 51 HIS HB3 H 1.364 0.02 1 475 51 51 HIS C C 176.551 0.35 1 476 51 51 HIS CA C 51.929 0.35 1 477 51 51 HIS CB C 18.745 0.35 1 478 51 51 HIS N N 125.653 0.2 1 479 52 52 ILE H H 7.075 0.02 1 480 52 52 ILE HA H 4.703 0.02 1 481 52 52 ILE HB H 2.094 0.02 1 482 52 52 ILE HG12 H 1.144 0.02 2 483 52 52 ILE HG13 H 1.086 0.02 2 484 52 52 ILE HG2 H 0.742 0.02 1 485 52 52 ILE HD1 H 0.873 0.02 1 486 52 52 ILE C C 177.109 0.35 1 487 52 52 ILE CA C 63.833 0.35 1 488 52 52 ILE CB C 37.224 0.35 1 489 52 52 ILE CG1 C 31.787 0.35 1 490 52 52 ILE CG2 C 27.121 0.35 1 491 52 52 ILE CD1 C 29.595 0.35 1 492 52 52 ILE N N 116.814 0.2 1 493 53 53 ASP H H 7.235 0.02 1 494 53 53 ASP HA H 4.692 0.02 1 495 53 53 ASP HB2 H 3.028 0.02 1 496 53 53 ASP HB3 H 3.028 0.02 1 497 53 53 ASP C C 173.569 0.35 1 498 53 53 ASP CA C 51.543 0.35 1 499 53 53 ASP CB C 40.272 0.35 1 500 53 53 ASP N N 111.228 0.2 1 501 54 54 PRO HA H 4.296 0.02 1 502 54 54 PRO HB2 H 2.859 0.02 2 503 54 54 PRO HB3 H 1.714 0.02 2 504 54 54 PRO C C 175.486 0.35 1 505 54 54 PRO CA C 61.899 0.35 1 506 54 54 PRO CB C 29.395 0.35 1 507 54 54 PRO CG C 22.913 0.35 1 508 54 54 PRO CD C 47.786 0.35 1 509 55 55 GLY H H 7.702 0.02 1 510 55 55 GLY HA2 H 4.251 0.02 2 511 55 55 GLY HA3 H 3.853 0.02 2 512 55 55 GLY C C 176.065 0.35 1 513 55 55 GLY CA C 47.171 0.35 1 514 55 55 GLY N N 111.122 0.2 1 515 56 56 ASP H H 8.666 0.02 1 516 56 56 ASP HA H 4.502 0.02 1 517 56 56 ASP HB2 H 2.803 0.02 1 518 56 56 ASP HB3 H 2.803 0.02 1 519 56 56 ASP C C 176.816 0.35 1 520 56 56 ASP CA C 56.007 0.35 1 521 56 56 ASP CB C 39.473 0.35 1 522 56 56 ASP N N 125.606 0.2 1 523 57 57 HIS H H 7.181 0.02 1 524 57 57 HIS HA H 4.751 0.02 1 525 57 57 HIS HB2 H 1.646 0.02 1 526 57 57 HIS HB3 H 1.646 0.02 1 527 57 57 HIS C C 175.328 0.35 1 528 57 57 HIS CA C 55.706 0.35 1 529 57 57 HIS CB C 34.710 0.35 1 530 57 57 HIS N N 125.983 0.2 1 531 58 58 PHE H H 7.714 0.02 1 532 58 58 PHE HA H 3.851 0.02 1 533 58 58 PHE HB2 H 2.483 0.02 1 534 58 58 PHE HB3 H 2.483 0.02 1 535 58 58 PHE C C 176.135 0.35 1 536 58 58 PHE CA C 50.547 0.35 1 537 58 58 PHE CB C 39.181 0.35 1 538 58 58 PHE N N 112.614 0.2 1 539 59 59 SER H H 8.074 0.02 1 540 59 59 SER HA H 4.107 0.02 1 541 59 59 SER HB2 H 3.894 0.02 1 542 59 59 SER HB3 H 3.894 0.02 1 543 59 59 SER C C 174.515 0.35 1 544 59 59 SER CA C 56.370 0.35 1 545 59 59 SER CB C 65.175 0.35 1 546 59 59 SER N N 111.209 0.2 1 547 60 60 GLY H H 8.568 0.02 1 548 60 60 GLY HA2 H 4.210 0.02 2 549 60 60 GLY HA3 H 3.813 0.02 2 550 60 60 GLY C C 174.789 0.35 1 551 60 60 GLY CA C 45.375 0.35 1 552 60 60 GLY N N 112.430 0.2 1 553 61 61 THR H H 8.625 0.02 1 554 61 61 THR HA H 4.453 0.02 1 555 61 61 THR HB H 4.148 0.02 1 556 61 61 THR HG2 H 1.043 0.02 1 557 61 61 THR C C 172.337 0.35 1 558 61 61 THR CA C 57.327 0.35 1 559 61 61 THR CB C 68.899 0.35 1 560 61 61 THR N N 113.236 0.2 1 561 62 62 PRO HA H 4.382 0.02 1 562 62 62 PRO HB2 H 2.730 0.02 1 563 62 62 PRO HB3 H 2.730 0.02 1 564 62 62 PRO HG2 H 2.239 0.02 2 565 62 62 PRO HG3 H 1.922 0.02 2 566 62 62 PRO HD2 H 3.612 0.02 2 567 62 62 PRO HD3 H 3.436 0.02 2 568 62 62 PRO C C 175.982 0.35 1 569 62 62 PRO CA C 61.681 0.35 1 570 62 62 PRO CB C 30.828 0.35 1 571 62 62 PRO CG C 25.676 0.35 1 572 62 62 PRO CD C 49.322 0.35 1 573 63 63 ASP H H 7.551 0.02 1 574 63 63 ASP HA H 4.606 0.02 1 575 63 63 ASP HB2 H 2.205 0.02 2 576 63 63 ASP HB3 H 2.910 0.02 2 577 63 63 ASP C C 177.488 0.35 1 578 63 63 ASP CA C 52.186 0.35 1 579 63 63 ASP CB C 40.425 0.35 1 580 63 63 ASP N N 117.253 0.2 1 581 64 64 TYR H H 7.810 0.02 1 582 64 64 TYR HA H 4.601 0.02 1 583 64 64 TYR HB2 H 3.748 0.02 1 584 64 64 TYR HB3 H 3.748 0.02 1 585 64 64 TYR HD1 H 6.996 0.02 1 586 64 64 TYR HD2 H 6.996 0.02 1 587 64 64 TYR C C 173.576 0.35 1 588 64 64 TYR CA C 59.062 0.35 1 589 64 64 TYR CB C 33.361 0.35 1 590 64 64 TYR N N 115.150 0.2 1 591 65 65 SER H H 7.475 0.02 1 592 65 65 SER HA H 5.069 0.02 1 593 65 65 SER HB2 H 3.572 0.02 1 594 65 65 SER HB3 H 3.572 0.02 1 595 65 65 SER C C 173.958 0.35 1 596 65 65 SER CA C 60.269 0.35 1 597 65 65 SER CB C 63.526 0.35 1 598 65 65 SER N N 109.962 0.2 1 599 66 66 SER H H 9.742 0.02 1 600 66 66 SER HA H 4.977 0.02 1 601 66 66 SER HB2 H 3.906 0.02 1 602 66 66 SER HB3 H 3.906 0.02 1 603 66 66 SER C C 173.656 0.35 1 604 66 66 SER CA C 59.341 0.35 1 605 66 66 SER CB C 65.206 0.35 1 606 66 66 SER N N 118.022 0.2 1 607 67 67 SER H H 8.506 0.02 1 608 67 67 SER HA H 4.700 0.02 1 609 67 67 SER HB2 H 3.414 0.02 1 610 67 67 SER HB3 H 3.414 0.02 1 611 67 67 SER C C 172.594 0.35 1 612 67 67 SER CA C 56.286 0.35 1 613 67 67 SER CB C 67.093 0.35 1 614 67 67 SER N N 120.059 0.2 1 615 68 68 TRP H H 10.337 0.02 1 616 68 68 TRP HA H 4.691 0.02 1 617 68 68 TRP HD1 H 7.291 0.02 1 618 68 68 TRP HE3 H 6.871 0.02 1 619 68 68 TRP N N 132.112 0.2 1 620 70 70 PRO HA H 4.141 0.02 1 621 70 70 PRO HB2 H 2.082 0.02 1 622 70 70 PRO HB3 H 2.082 0.02 1 623 70 70 PRO HG2 H 2.151 0.02 1 624 70 70 PRO HG3 H 2.151 0.02 1 625 70 70 PRO HD2 H 3.471 0.02 2 626 70 70 PRO HD3 H 2.943 0.02 2 627 70 70 PRO C C 176.226 0.35 1 628 70 70 PRO CA C 62.492 0.35 1 629 70 70 PRO CB C 31.874 0.35 1 630 70 70 PRO CG C 25.708 0.35 1 631 70 70 PRO CD C 50.513 0.35 1 632 71 71 HIS H H 8.091 0.02 1 633 71 71 HIS HA H 4.613 0.02 1 634 71 71 HIS HB2 H 3.127 0.02 1 635 71 71 HIS HB3 H 3.127 0.02 1 636 71 71 HIS C C 174.021 0.35 1 637 71 71 HIS CA C 55.887 0.35 1 638 71 71 HIS CB C 29.724 0.35 1 639 71 71 HIS N N 122.626 0.2 1 640 72 72 CYS H H 8.036 0.02 1 641 72 72 CYS HA H 4.307 0.02 1 642 72 72 CYS HB2 H 2.623 0.02 1 643 72 72 CYS HB3 H 2.623 0.02 1 644 72 72 CYS C C 179.268 0.35 1 645 72 72 CYS CA C 57.057 0.35 1 646 72 72 CYS CB C 27.752 0.35 1 647 72 72 CYS N N 125.147 0.2 1 648 73 73 VAL H H 8.247 0.02 1 649 73 73 VAL HA H 4.485 0.02 1 650 73 73 VAL HB H 2.066 0.02 1 651 73 73 VAL HG1 H 0.657 0.02 2 652 73 73 VAL HG2 H 0.808 0.02 2 653 73 73 VAL C C 177.668 0.35 1 654 73 73 VAL CA C 62.410 0.35 1 655 73 73 VAL CB C 30.701 0.35 1 656 73 73 VAL CG1 C 21.981 0.35 1 657 73 73 VAL CG2 C 21.981 0.35 1 658 73 73 VAL N N 118.241 0.2 1 659 74 74 SER H H 8.226 0.02 1 660 74 74 SER HA H 4.399 0.02 1 661 74 74 SER HB2 H 3.315 0.02 1 662 74 74 SER HB3 H 3.315 0.02 1 663 74 74 SER C C 175.229 0.35 1 664 74 74 SER CA C 51.796 0.35 1 665 74 74 SER CB C 62.652 0.35 1 666 74 74 SER N N 122.095 0.2 1 667 75 75 GLY H H 8.436 0.02 1 668 75 75 GLY HA2 H 3.668 0.02 2 669 75 75 GLY HA3 H 3.141 0.02 2 670 75 75 GLY C C 174.503 0.35 1 671 75 75 GLY CA C 44.911 0.35 1 672 75 75 GLY N N 114.366 0.2 1 673 76 76 THR H H 8.942 0.02 1 674 76 76 THR HA H 4.608 0.02 1 675 76 76 THR HB H 4.341 0.02 1 676 76 76 THR HG2 H 1.567 0.02 1 677 76 76 THR C C 174.586 0.35 1 678 76 76 THR CA C 61.067 0.35 1 679 76 76 THR CB C 68.751 0.35 1 680 76 76 THR N N 122.752 0.2 1 681 77 77 PRO HA H 4.537 0.02 1 682 77 77 PRO HB2 H 2.403 0.02 2 683 77 77 PRO HB3 H 1.938 0.02 2 684 77 77 PRO HG2 H 2.107 0.02 2 685 77 77 PRO HG3 H 2.028 0.02 2 686 77 77 PRO HD2 H 3.882 0.02 1 687 77 77 PRO HD3 H 3.882 0.02 1 688 77 77 PRO C C 179.677 0.35 1 689 77 77 PRO CA C 63.772 0.35 1 690 77 77 PRO CB C 30.638 0.35 1 691 77 77 PRO CG C 26.784 0.35 1 692 77 77 PRO CD C 50.124 0.35 1 693 78 78 GLY H H 8.137 0.02 1 694 78 78 GLY HA2 H 3.888 0.02 2 695 78 78 GLY HA3 H 3.697 0.02 2 696 78 78 GLY C C 173.929 0.35 1 697 78 78 GLY CA C 46.322 0.35 1 698 78 78 GLY N N 106.211 0.2 1 699 79 79 ALA H H 6.993 0.02 1 700 79 79 ALA HA H 4.193 0.02 1 701 79 79 ALA HB H 1.250 0.02 1 702 79 79 ALA C C 178.472 0.35 1 703 79 79 ALA CA C 51.584 0.35 1 704 79 79 ALA CB C 18.590 0.35 1 705 79 79 ALA N N 115.993 0.2 1 706 80 80 ASP H H 7.574 0.02 1 707 80 80 ASP HA H 4.272 0.02 1 708 80 80 ASP HB2 H 2.276 0.02 1 709 80 80 ASP HB3 H 2.276 0.02 1 710 80 80 ASP C C 176.619 0.35 1 711 80 80 ASP CA C 54.576 0.35 1 712 80 80 ASP CB C 40.676 0.35 1 713 80 80 ASP N N 117.556 0.2 1 714 81 81 PHE H H 8.037 0.02 1 715 81 81 PHE HA H 4.967 0.02 1 716 81 81 PHE HB2 H 2.765 0.02 2 717 81 81 PHE HB3 H 3.102 0.02 2 718 81 81 PHE HD1 H 7.325 0.02 1 719 81 81 PHE HD2 H 7.325 0.02 1 720 81 81 PHE C C 175.790 0.35 1 721 81 81 PHE CA C 57.577 0.35 1 722 81 81 PHE CB C 39.598 0.35 1 723 81 81 PHE N N 116.014 0.2 1 724 82 82 HIS H H 7.762 0.02 1 725 82 82 HIS HA H 4.813 0.02 1 726 82 82 HIS HB2 H 2.493 0.02 1 727 82 82 HIS HB3 H 2.493 0.02 1 728 82 82 HIS HD1 H 8.634 0.02 1 729 82 82 HIS C C 177.081 0.35 1 730 82 82 HIS CA C 56.163 0.35 1 731 82 82 HIS CB C 31.573 0.35 1 732 82 82 HIS N N 122.445 0.2 1 733 83 83 PRO HA H 4.370 0.02 1 734 83 83 PRO HB2 H 2.285 0.02 2 735 83 83 PRO HB3 H 1.862 0.02 2 736 83 83 PRO HG2 H 2.011 0.02 2 737 83 83 PRO HG3 H 1.641 0.02 2 738 83 83 PRO HD2 H 3.524 0.02 2 739 83 83 PRO HD3 H 2.978 0.02 2 740 83 83 PRO C C 178.230 0.35 1 741 83 83 PRO CA C 64.525 0.35 1 742 83 83 PRO CB C 31.334 0.35 1 743 83 83 PRO CG C 26.067 0.35 1 744 83 83 PRO CD C 50.023 0.35 1 745 84 84 SER H H 10.735 0.02 1 746 84 84 SER HA H 4.471 0.02 1 747 84 84 SER HB2 H 3.863 0.02 1 748 84 84 SER HB3 H 3.863 0.02 1 749 84 84 SER C C 173.936 0.35 1 750 84 84 SER CA C 59.766 0.35 1 751 84 84 SER CB C 63.099 0.35 1 752 84 84 SER N N 116.588 0.2 1 753 85 85 LEU H H 8.185 0.02 1 754 85 85 LEU HA H 4.195 0.02 1 755 85 85 LEU HB2 H 2.044 0.02 2 756 85 85 LEU HB3 H 1.049 0.02 2 757 85 85 LEU HG H 1.329 0.02 1 758 85 85 LEU HD1 H 0.808 0.02 2 759 85 85 LEU HD2 H 0.388 0.02 2 760 85 85 LEU C C 174.540 0.35 1 761 85 85 LEU CA C 53.715 0.35 1 762 85 85 LEU CB C 41.998 0.35 1 763 85 85 LEU CG C 25.619 0.35 1 764 85 85 LEU N N 123.491 0.2 1 765 86 86 ASP H H 8.426 0.02 1 766 86 86 ASP HA H 4.526 0.02 1 767 86 86 ASP HB2 H 2.697 0.02 1 768 86 86 ASP HB3 H 2.697 0.02 1 769 86 86 ASP C C 176.598 0.35 1 770 86 86 ASP CA C 53.422 0.35 1 771 86 86 ASP CB C 40.009 0.35 1 772 86 86 ASP N N 129.168 0.2 1 773 87 87 THR H H 8.032 0.02 1 774 87 87 THR HA H 3.875 0.02 1 775 87 87 THR HB H 4.363 0.02 1 776 87 87 THR HG2 H 0.769 0.02 1 777 87 87 THR C C 177.284 0.35 1 778 87 87 THR CA C 61.457 0.35 1 779 87 87 THR CB C 68.275 0.35 1 780 87 87 THR CG2 C 20.762 0.35 1 781 87 87 THR N N 115.198 0.2 1 782 88 88 SER H H 8.392 0.02 1 783 88 88 SER HA H 4.141 0.02 1 784 88 88 SER HB2 H 3.917 0.02 1 785 88 88 SER HB3 H 3.917 0.02 1 786 88 88 SER C C 175.380 0.35 1 787 88 88 SER CA C 61.760 0.35 1 788 88 88 SER CB C 62.544 0.35 1 789 88 88 SER N N 120.573 0.2 1 790 89 89 ALA H H 8.372 0.02 1 791 89 89 ALA HA H 4.313 0.02 1 792 89 89 ALA HB H 1.269 0.02 1 793 89 89 ALA C C 177.119 0.35 1 794 89 89 ALA CA C 51.584 0.35 1 795 89 89 ALA CB C 19.240 0.35 1 796 89 89 ALA N N 122.285 0.2 1 797 90 90 ILE H H 7.082 0.02 1 798 90 90 ILE HA H 3.472 0.02 1 799 90 90 ILE HB H 1.670 0.02 1 800 90 90 ILE HG12 H 1.378 0.02 2 801 90 90 ILE HG13 H 0.705 0.02 2 802 90 90 ILE HG2 H 0.467 0.02 1 803 90 90 ILE HD1 H 0.260 0.02 1 804 90 90 ILE C C 176.511 0.35 1 805 90 90 ILE CA C 62.268 0.35 1 806 90 90 ILE CB C 37.143 0.35 1 807 90 90 ILE CG1 C 26.502 0.35 1 808 90 90 ILE CG2 C 22.268 0.35 1 809 90 90 ILE CD1 C 17.250 0.35 1 810 90 90 ILE N N 116.812 0.2 1 811 91 91 GLU H H 8.879 0.02 1 812 91 91 GLU HA H 4.252 0.02 1 813 91 91 GLU HB2 H 2.365 0.02 1 814 91 91 GLU HB3 H 2.365 0.02 1 815 91 91 GLU HG2 H 2.621 0.02 1 816 91 91 GLU HG3 H 2.621 0.02 1 817 91 91 GLU C C 176.254 0.35 1 818 91 91 GLU CA C 57.735 0.35 1 819 91 91 GLU CB C 31.751 0.35 1 820 91 91 GLU CG C 36.436 0.35 1 821 91 91 GLU N N 128.522 0.2 1 822 92 92 ALA H H 7.085 0.02 1 823 92 92 ALA HA H 4.480 0.02 1 824 92 92 ALA HB H 0.761 0.02 1 825 92 92 ALA C C 173.849 0.35 1 826 92 92 ALA CA C 51.519 0.35 1 827 92 92 ALA CB C 22.029 0.35 1 828 92 92 ALA N N 118.050 0.2 1 829 93 93 VAL H H 7.302 0.02 1 830 93 93 VAL HA H 4.476 0.02 1 831 93 93 VAL HB H 2.883 0.02 1 832 93 93 VAL HG1 H 0.818 0.02 2 833 93 93 VAL HG2 H 1.374 0.02 2 834 93 93 VAL C C 173.001 0.35 1 835 93 93 VAL CA C 59.997 0.35 1 836 93 93 VAL CB C 33.124 0.35 1 837 93 93 VAL CG1 C 19.954 0.35 1 838 93 93 VAL CG2 C 19.954 0.35 1 839 93 93 VAL N N 119.793 0.2 1 840 94 94 PHE H H 8.408 0.02 1 841 94 94 PHE HA H 3.849 0.02 1 842 94 94 PHE HB2 H 2.352 0.02 2 843 94 94 PHE HB3 H 2.141 0.02 2 844 94 94 PHE HD1 H 6.774 0.02 1 845 94 94 PHE HD2 H 6.774 0.02 1 846 94 94 PHE HE1 H 5.296 0.02 1 847 94 94 PHE HE2 H 5.296 0.02 1 848 94 94 PHE C C 174.048 0.35 1 849 94 94 PHE CA C 56.648 0.35 1 850 94 94 PHE CB C 39.165 0.35 1 851 94 94 PHE N N 123.615 0.2 1 852 95 95 TYR H H 8.986 0.02 1 853 95 95 TYR HA H 4.555 0.02 1 854 95 95 TYR HB2 H 2.833 0.02 1 855 95 95 TYR HB3 H 2.833 0.02 1 856 95 95 TYR HD1 H 6.508 0.02 1 857 95 95 TYR HD2 H 6.508 0.02 1 858 95 95 TYR C C 175.947 0.35 1 859 95 95 TYR CA C 57.579 0.35 1 860 95 95 TYR CB C 38.695 0.35 1 861 95 95 TYR N N 125.180 0.2 1 862 96 96 LYS H H 8.125 0.02 1 863 96 96 LYS HA H 4.818 0.02 1 864 96 96 LYS HB2 H 2.161 0.02 1 865 96 96 LYS HB3 H 2.161 0.02 1 866 96 96 LYS HG2 H 1.185 0.02 1 867 96 96 LYS HG3 H 1.185 0.02 1 868 96 96 LYS HD2 H 1.658 0.02 1 869 96 96 LYS HD3 H 1.658 0.02 1 870 96 96 LYS HE2 H 3.053 0.02 1 871 96 96 LYS HE3 H 3.053 0.02 1 872 96 96 LYS C C 176.062 0.35 1 873 96 96 LYS CA C 56.742 0.35 1 874 96 96 LYS CB C 31.543 0.35 1 875 96 96 LYS CG C 22.792 0.35 1 876 96 96 LYS CD C 29.363 0.35 1 877 96 96 LYS CE C 40.188 0.35 1 878 96 96 LYS N N 122.569 0.2 1 879 97 97 GLY H H 8.700 0.02 1 880 97 97 GLY HA2 H 4.678 0.02 2 881 97 97 GLY HA3 H 4.153 0.02 2 882 97 97 GLY C C 179.246 0.35 1 883 97 97 GLY CA C 43.944 0.35 1 884 97 97 GLY N N 121.464 0.2 1 885 98 98 ALA H H 8.269 0.02 1 886 98 98 ALA HA H 4.357 0.02 1 887 98 98 ALA HB H 1.839 0.02 1 888 98 98 ALA C C 178.934 0.35 1 889 98 98 ALA CA C 57.585 0.35 1 890 98 98 ALA CB C 24.750 0.35 1 891 98 98 ALA N N 128.322 0.2 1 892 99 99 TYR H H 8.673 0.02 1 893 99 99 TYR HA H 4.851 0.02 1 894 99 99 TYR HB2 H 2.428 0.02 1 895 99 99 TYR HB3 H 2.428 0.02 1 896 99 99 TYR HD1 H 7.242 0.02 1 897 99 99 TYR HD2 H 7.242 0.02 1 898 99 99 TYR C C 175.018 0.35 1 899 99 99 TYR CA C 56.528 0.35 1 900 99 99 TYR CB C 38.792 0.35 1 901 99 99 TYR N N 110.832 0.2 1 902 100 100 THR H H 7.796 0.02 1 903 100 100 THR HA H 4.147 0.02 1 904 100 100 THR HB H 4.507 0.02 1 905 100 100 THR HG2 H 1.354 0.02 1 906 100 100 THR C C 178.023 0.35 1 907 100 100 THR CA C 64.011 0.35 1 908 100 100 THR CB C 67.049 0.35 1 909 100 100 THR CG2 C 23.558 0.35 1 910 100 100 THR N N 111.364 0.2 1 911 101 101 GLY H H 8.707 0.02 1 912 101 101 GLY HA2 H 4.426 0.02 2 913 101 101 GLY HA3 H 3.977 0.02 2 914 101 101 GLY C C 176.706 0.35 1 915 101 101 GLY CA C 44.925 0.35 1 916 101 101 GLY N N 116.316 0.2 1 917 102 102 ALA H H 7.990 0.02 1 918 102 102 ALA HA H 4.072 0.02 1 919 102 102 ALA HB H 3.115 0.02 1 920 102 102 ALA C C 178.600 0.35 1 921 102 102 ALA CA C 53.409 0.35 1 922 102 102 ALA CB C 18.538 0.35 1 923 102 102 ALA N N 123.024 0.2 1 924 103 103 TYR H H 8.344 0.02 1 925 103 103 TYR HA H 3.993 0.02 1 926 103 103 TYR HB2 H 3.270 0.02 2 927 103 103 TYR HB3 H 2.933 0.02 2 928 103 103 TYR C C 174.441 0.35 1 929 103 103 TYR CA C 59.324 0.35 1 930 103 103 TYR CB C 40.811 0.35 1 931 103 103 TYR N N 119.440 0.2 1 932 104 104 SER H H 8.247 0.02 1 933 104 104 SER HA H 4.154 0.02 1 934 104 104 SER HB2 H 3.752 0.02 1 935 104 104 SER HB3 H 3.752 0.02 1 936 104 104 SER C C 176.426 0.35 1 937 104 104 SER CA C 55.025 0.35 1 938 104 104 SER CB C 65.690 0.35 1 939 104 104 SER N N 111.463 0.2 1 940 105 105 GLY H H 9.444 0.02 1 941 105 105 GLY HA2 H 3.465 0.02 2 942 105 105 GLY HA3 H 3.160 0.02 2 943 105 105 GLY C C 173.993 0.35 1 944 105 105 GLY CA C 46.677 0.35 1 945 105 105 GLY N N 115.902 0.2 1 946 106 106 PHE H H 8.315 0.02 1 947 106 106 PHE HA H 4.042 0.02 1 948 106 106 PHE HB2 H 3.427 0.02 2 949 106 106 PHE HB3 H 2.923 0.02 2 950 106 106 PHE HD1 H 7.416 0.02 1 951 106 106 PHE HD2 H 7.416 0.02 1 952 106 106 PHE C C 176.532 0.35 1 953 106 106 PHE CA C 61.109 0.35 1 954 106 106 PHE CB C 37.490 0.35 1 955 106 106 PHE N N 114.600 0.2 1 956 107 107 GLU H H 7.740 0.02 1 957 107 107 GLU HA H 4.353 0.02 1 958 107 107 GLU HB2 H 2.335 0.02 2 959 107 107 GLU HB3 H 2.076 0.02 2 960 107 107 GLU HG2 H 2.756 0.02 1 961 107 107 GLU HG3 H 2.756 0.02 1 962 107 107 GLU C C 176.607 0.35 1 963 107 107 GLU CA C 57.289 0.35 1 964 107 107 GLU CB C 30.064 0.35 1 965 107 107 GLU CG C 37.966 0.35 1 966 107 107 GLU N N 118.278 0.2 1 967 108 108 GLY H H 7.899 0.02 1 968 108 108 GLY HA2 H 4.418 0.02 2 969 108 108 GLY HA3 H 4.009 0.02 2 970 108 108 GLY C C 172.237 0.35 1 971 108 108 GLY CA C 44.941 0.35 1 972 108 108 GLY N N 106.570 0.2 1 973 109 109 VAL H H 8.476 0.02 1 974 109 109 VAL HA H 5.326 0.02 1 975 109 109 VAL HB H 1.865 0.02 1 976 109 109 VAL HG1 H 0.933 0.02 2 977 109 109 VAL HG2 H 1.089 0.02 2 978 109 109 VAL C C 176.149 0.35 1 979 109 109 VAL CA C 58.969 0.35 1 980 109 109 VAL CB C 35.133 0.35 1 981 109 109 VAL CG1 C 19.544 0.35 1 982 109 109 VAL CG2 C 19.544 0.35 1 983 109 109 VAL N N 116.344 0.2 1 984 110 110 ASP H H 8.401 0.02 1 985 110 110 ASP HA H 5.032 0.02 1 986 110 110 ASP HB2 H 2.776 0.02 2 987 110 110 ASP HB3 H 1.832 0.02 2 988 110 110 ASP C C 179.043 0.35 1 989 110 110 ASP CA C 52.522 0.35 1 990 110 110 ASP CB C 39.515 0.35 1 991 110 110 ASP N N 125.250 0.2 1 992 111 111 GLU H H 8.977 0.02 1 993 111 111 GLU HA H 4.064 0.02 1 994 111 111 GLU HB2 H 2.083 0.02 1 995 111 111 GLU HB3 H 2.083 0.02 1 996 111 111 GLU HG2 H 2.362 0.02 1 997 111 111 GLU HG3 H 2.362 0.02 1 998 111 111 GLU C C 176.719 0.35 1 999 111 111 GLU CA C 58.280 0.35 1 1000 111 111 GLU CB C 28.257 0.35 1 1001 111 111 GLU CG C 34.262 0.35 1 1002 111 111 GLU N N 116.219 0.2 1 1003 112 112 ASN H H 8.130 0.02 1 1004 112 112 ASN HA H 4.904 0.02 1 1005 112 112 ASN HB2 H 2.974 0.02 1 1006 112 112 ASN HB3 H 2.974 0.02 1 1007 112 112 ASN C C 175.770 0.35 1 1008 112 112 ASN CA C 52.791 0.35 1 1009 112 112 ASN CB C 39.372 0.35 1 1010 112 112 ASN N N 116.595 0.2 1 1011 113 113 GLY H H 8.342 0.02 1 1012 113 113 GLY HA2 H 4.315 0.02 2 1013 113 113 GLY HA3 H 3.563 0.02 2 1014 113 113 GLY C C 174.571 0.35 1 1015 113 113 GLY CA C 45.075 0.35 1 1016 113 113 GLY N N 109.234 0.2 1 1017 114 114 THR H H 8.011 0.02 1 1018 114 114 THR HA H 5.011 0.02 1 1019 114 114 THR HB H 4.472 0.02 1 1020 114 114 THR HG2 H 1.031 0.02 1 1021 114 114 THR C C 174.557 0.35 1 1022 114 114 THR CA C 58.859 0.35 1 1023 114 114 THR CB C 69.693 0.35 1 1024 114 114 THR N N 110.718 0.2 1 1025 115 115 PRO HA H 5.208 0.02 1 1026 115 115 PRO HB2 H 2.809 0.02 2 1027 115 115 PRO HB3 H 2.163 0.02 2 1028 115 115 PRO HG2 H 2.137 0.02 2 1029 115 115 PRO HG3 H 2.032 0.02 2 1030 115 115 PRO HD2 H 3.928 0.02 2 1031 115 115 PRO HD3 H 3.726 0.02 2 1032 115 115 PRO C C 177.467 0.35 1 1033 115 115 PRO CA C 62.309 0.35 1 1034 115 115 PRO CB C 32.787 0.35 1 1035 115 115 PRO CG C 27.285 0.35 1 1036 115 115 PRO CD C 51.310 0.35 1 1037 116 116 LEU H H 7.206 0.02 1 1038 116 116 LEU HA H 3.155 0.02 1 1039 116 116 LEU HB2 H 0.943 0.02 2 1040 116 116 LEU HB3 H 0.304 0.02 2 1041 116 116 LEU HG H 0.493 0.02 1 1042 116 116 LEU HD1 H -0.516 0.02 2 1043 116 116 LEU HD2 H -0.817 0.02 2 1044 116 116 LEU C C 177.417 0.35 1 1045 116 116 LEU CA C 58.203 0.35 1 1046 116 116 LEU CB C 40.337 0.35 1 1047 116 116 LEU CG C 25.278 0.35 1 1048 116 116 LEU N N 122.225 0.2 1 1049 117 117 LEU H H 9.637 0.02 1 1050 117 117 LEU HA H 4.093 0.02 1 1051 117 117 LEU HB2 H 1.822 0.02 2 1052 117 117 LEU HB3 H 1.761 0.02 2 1053 117 117 LEU HG H 1.579 0.02 1 1054 117 117 LEU HD1 H 0.940 0.02 1 1055 117 117 LEU HD2 H 0.940 0.02 1 1056 117 117 LEU C C 177.885 0.35 1 1057 117 117 LEU CA C 58.475 0.35 1 1058 117 117 LEU CB C 41.056 0.35 1 1059 117 117 LEU CG C 26.121 0.35 1 1060 117 117 LEU CD1 C 24.414 0.35 2 1061 117 117 LEU CD2 C 21.821 0.35 2 1062 117 117 LEU N N 116.555 0.2 1 1063 118 118 ASN H H 7.058 0.02 1 1064 118 118 ASN HA H 4.273 0.02 1 1065 118 118 ASN HB2 H 2.673 0.02 1 1066 118 118 ASN HB3 H 2.673 0.02 1 1067 118 118 ASN C C 176.826 0.35 1 1068 118 118 ASN CA C 56.197 0.35 1 1069 118 118 ASN CB C 36.952 0.35 1 1070 118 118 ASN N N 114.584 0.2 1 1071 119 119 TRP H H 8.417 0.02 1 1072 119 119 TRP HA H 3.813 0.02 1 1073 119 119 TRP HB2 H 3.504 0.02 2 1074 119 119 TRP HB3 H 3.182 0.02 2 1075 119 119 TRP C C 179.494 0.35 1 1076 119 119 TRP CA C 61.882 0.35 1 1077 119 119 TRP CB C 30.924 0.35 1 1078 119 119 TRP N N 122.004 0.2 1 1079 120 120 LEU H H 8.241 0.02 1 1080 120 120 LEU HA H 3.917 0.02 1 1081 120 120 LEU HB2 H 1.328 0.02 2 1082 120 120 LEU HB3 H 2.204 0.02 2 1083 120 120 LEU HG H 1.407 0.02 1 1084 120 120 LEU HD1 H 0.815 0.02 2 1085 120 120 LEU HD2 H 0.712 0.02 2 1086 120 120 LEU C C 179.661 0.35 1 1087 120 120 LEU CA C 57.868 0.35 1 1088 120 120 LEU CB C 40.719 0.35 1 1089 120 120 LEU CG C 24.936 0.35 1 1090 120 120 LEU N N 116.214 0.2 1 1091 121 121 ARG H H 8.785 0.02 1 1092 121 121 ARG HA H 3.976 0.02 1 1093 121 121 ARG HB2 H 2.113 0.02 1 1094 121 121 ARG HB3 H 2.113 0.02 1 1095 121 121 ARG HG2 H 1.928 0.02 2 1096 121 121 ARG HG3 H 1.653 0.02 2 1097 121 121 ARG HD2 H 3.222 0.02 1 1098 121 121 ARG HD3 H 3.222 0.02 1 1099 121 121 ARG C C 181.121 0.35 1 1100 121 121 ARG CA C 59.186 0.35 1 1101 121 121 ARG CB C 29.183 0.35 1 1102 121 121 ARG CG C 26.353 0.35 1 1103 121 121 ARG CD C 42.552 0.35 1 1104 121 121 ARG N N 119.373 0.2 1 1105 122 122 GLN H H 8.345 0.02 1 1106 122 122 GLN HA H 4.009 0.02 1 1107 122 122 GLN HB2 H 2.009 0.02 2 1108 122 122 GLN HB3 H 1.862 0.02 2 1109 122 122 GLN HG2 H 2.832 0.02 2 1110 122 122 GLN HG3 H 2.371 0.02 2 1111 122 122 GLN C C 177.277 0.35 1 1112 122 122 GLN CA C 57.984 0.35 1 1113 122 122 GLN CB C 27.715 0.35 1 1114 122 122 GLN CG C 32.902 0.35 1 1115 122 122 GLN N N 119.339 0.2 1 1116 123 123 ARG H H 6.719 0.02 1 1117 123 123 ARG HA H 3.988 0.02 1 1118 123 123 ARG HB2 H 1.792 0.02 2 1119 123 123 ARG HB3 H 0.816 0.02 2 1120 123 123 ARG HG2 H 1.807 0.02 2 1121 123 123 ARG HG3 H 1.443 0.02 2 1122 123 123 ARG HD2 H 3.242 0.02 2 1123 123 123 ARG HD3 H 3.123 0.02 2 1124 123 123 ARG C C 175.810 0.35 1 1125 123 123 ARG CA C 55.481 0.35 1 1126 123 123 ARG CB C 29.367 0.35 1 1127 123 123 ARG CG C 26.579 0.35 1 1128 123 123 ARG CD C 40.510 0.35 1 1129 123 123 ARG N N 116.300 0.2 1 1130 124 124 GLY H H 7.627 0.02 1 1131 124 124 GLY HA2 H 3.992 0.02 2 1132 124 124 GLY HA3 H 3.708 0.02 2 1133 124 124 GLY C C 174.744 0.35 1 1134 124 124 GLY CA C 45.629 0.35 1 1135 124 124 GLY N N 106.990 0.2 1 1136 125 125 VAL H H 7.643 0.02 1 1137 125 125 VAL HA H 3.692 0.02 1 1138 125 125 VAL HB H 1.849 0.02 1 1139 125 125 VAL HG1 H 0.885 0.02 2 1140 125 125 VAL HG2 H 1.133 0.02 2 1141 125 125 VAL C C 174.521 0.35 1 1142 125 125 VAL CA C 63.411 0.35 1 1143 125 125 VAL CB C 30.775 0.35 1 1144 125 125 VAL CG1 C 21.771 0.35 1 1145 125 125 VAL CG2 C 21.771 0.35 1 1146 125 125 VAL N N 120.034 0.2 1 1147 126 126 ASP H H 8.948 0.02 1 1148 126 126 ASP HA H 4.733 0.02 1 1149 126 126 ASP HB2 H 3.084 0.02 1 1150 126 126 ASP HB3 H 3.084 0.02 1 1151 126 126 ASP C C 175.633 0.35 1 1152 126 126 ASP CA C 52.768 0.35 1 1153 126 126 ASP CB C 40.789 0.35 1 1154 126 126 ASP N N 124.210 0.2 1 1155 127 127 GLU H H 8.014 0.02 1 1156 127 127 GLU HA H 5.507 0.02 1 1157 127 127 GLU HB2 H 2.206 0.02 2 1158 127 127 GLU HB3 H 1.976 0.02 2 1159 127 127 GLU HG2 H 2.365 0.02 2 1160 127 127 GLU HG3 H 2.190 0.02 2 1161 127 127 GLU C C 175.414 0.35 1 1162 127 127 GLU CA C 54.542 0.35 1 1163 127 127 GLU CB C 32.550 0.35 1 1164 127 127 GLU CG C 34.194 0.35 1 1165 127 127 GLU N N 122.035 0.2 1 1166 128 128 VAL H H 9.166 0.02 1 1167 128 128 VAL HA H 5.773 0.02 1 1168 128 128 VAL HB H 1.990 0.02 1 1169 128 128 VAL HG1 H 0.844 0.02 2 1170 128 128 VAL HG2 H 0.916 0.02 2 1171 128 128 VAL C C 173.574 0.35 1 1172 128 128 VAL CA C 58.087 0.35 1 1173 128 128 VAL CB C 35.360 0.35 1 1174 128 128 VAL CG1 C 22.925 0.35 2 1175 128 128 VAL CG2 C 19.428 0.35 2 1176 128 128 VAL N N 113.727 0.2 1 1177 129 129 ASP H H 8.753 0.02 1 1178 129 129 ASP HA H 5.959 0.02 1 1179 129 129 ASP HB2 H 2.427 0.02 2 1180 129 129 ASP HB3 H 2.706 0.02 2 1181 129 129 ASP C C 175.070 0.35 1 1182 129 129 ASP CA C 51.408 0.35 1 1183 129 129 ASP CB C 42.382 0.35 1 1184 129 129 ASP N N 122.512 0.2 1 1185 130 130 VAL H H 8.986 0.02 1 1186 130 130 VAL HA H 4.819 0.02 1 1187 130 130 VAL HB H 1.893 0.02 1 1188 130 130 VAL HG1 H 0.689 0.02 2 1189 130 130 VAL HG2 H 0.956 0.02 2 1190 130 130 VAL C C 174.436 0.35 1 1191 130 130 VAL CA C 61.553 0.35 1 1192 130 130 VAL CB C 33.444 0.35 1 1193 130 130 VAL CG1 C 20.541 0.35 2 1194 130 130 VAL CG2 C 22.431 0.35 2 1195 130 130 VAL N N 122.238 0.2 1 1196 131 131 VAL H H 8.278 0.02 1 1197 131 131 VAL HA H 4.516 0.02 1 1198 131 131 VAL HB H 2.950 0.02 1 1199 131 131 VAL HG1 H 0.769 0.02 2 1200 131 131 VAL HG2 H 0.974 0.02 2 1201 131 131 VAL C C 174.336 0.35 1 1202 131 131 VAL CA C 58.126 0.35 1 1203 131 131 VAL CB C 34.141 0.35 1 1204 131 131 VAL CG1 C 18.752 0.35 2 1205 131 131 VAL CG2 C 24.485 0.35 2 1206 131 131 VAL N N 116.149 0.2 1 1207 132 132 GLY H H 8.737 0.02 1 1208 132 132 GLY HA2 H 5.199 0.02 2 1209 132 132 GLY HA3 H 4.475 0.02 2 1210 132 132 GLY C C 171.281 0.35 1 1211 132 132 GLY CA C 43.991 0.35 1 1212 132 132 GLY N N 105.587 0.2 1 1213 133 133 ILE H H 8.711 0.02 1 1214 133 133 ILE HA H 4.737 0.02 1 1215 133 133 ILE HB H 1.776 0.02 1 1216 133 133 ILE HG12 H 1.498 0.02 2 1217 133 133 ILE HG13 H 1.017 0.02 2 1218 133 133 ILE HG2 H 0.936 0.02 1 1219 133 133 ILE HD1 H 0.763 0.02 1 1220 133 133 ILE C C 174.552 0.35 1 1221 133 133 ILE CA C 55.349 0.35 1 1222 133 133 ILE CB C 41.110 0.35 1 1223 133 133 ILE CG1 C 33.859 0.35 1 1224 133 133 ILE CG2 C 27.270 0.35 1 1225 133 133 ILE CD1 C 24.992 0.35 1 1226 133 133 ILE N N 121.274 0.2 1 1227 134 134 ALA H H 7.059 0.02 1 1228 134 134 ALA HA H 4.351 0.02 1 1229 134 134 ALA HB H 1.808 0.02 1 1230 134 134 ALA C C 181.156 0.35 1 1231 134 134 ALA CA C 52.216 0.35 1 1232 134 134 ALA CB C 23.067 0.35 1 1233 134 134 ALA N N 122.722 0.2 1 1234 135 135 THR H H 8.887 0.02 1 1235 135 135 THR HA H 4.942 0.02 1 1236 135 135 THR HB H 3.655 0.02 1 1237 135 135 THR HG2 H 0.999 0.02 1 1238 135 135 THR C C 171.725 0.35 1 1239 135 135 THR CA C 67.791 0.35 1 1240 135 135 THR CB C 69.428 0.35 1 1241 135 135 THR CG2 C 17.785 0.35 1 1242 135 135 THR N N 120.279 0.2 1 1243 136 136 ASP H H 10.235 0.02 1 1244 136 136 ASP HA H 4.121 0.02 1 1245 136 136 ASP HB2 H 2.675 0.02 1 1246 136 136 ASP HB3 H 2.675 0.02 1 1247 136 136 ASP C C 176.304 0.35 1 1248 136 136 ASP CA C 51.476 0.35 1 1249 136 136 ASP CB C 37.878 0.35 1 1250 136 136 ASP N N 106.486 0.2 1 1251 137 137 HIS H H 7.861 0.02 1 1252 137 137 HIS HA H 5.181 0.02 1 1253 137 137 HIS HB2 H 3.893 0.02 1 1254 137 137 HIS HB3 H 3.893 0.02 1 1255 137 137 HIS C C 174.841 0.35 1 1256 137 137 HIS CA C 56.471 0.35 1 1257 137 137 HIS CB C 31.812 0.35 1 1258 137 137 HIS N N 120.538 0.2 1 1259 138 138 CYS H H 7.569 0.02 1 1260 138 138 CYS HA H 4.226 0.02 1 1261 138 138 CYS HB2 H 1.996 0.02 1 1262 138 138 CYS HB3 H 1.996 0.02 1 1263 138 138 CYS C C 179.195 0.35 1 1264 138 138 CYS CA C 62.860 0.35 1 1265 138 138 CYS CB C 27.418 0.35 1 1266 138 138 CYS N N 115.925 0.2 1 1267 139 139 VAL H H 8.180 0.02 1 1268 139 139 VAL HA H 4.740 0.02 1 1269 139 139 VAL HB H 2.158 0.02 1 1270 139 139 VAL HG1 H 0.783 0.02 2 1271 139 139 VAL HG2 H 0.862 0.02 2 1272 139 139 VAL C C 175.283 0.35 1 1273 139 139 VAL CA C 68.127 0.35 1 1274 139 139 VAL CB C 29.298 0.35 1 1275 139 139 VAL CG1 C 18.937 0.35 2 1276 139 139 VAL CG2 C 20.650 0.35 2 1277 139 139 VAL N N 120.384 0.2 1 1278 140 140 ARG H H 6.031 0.02 1 1279 140 140 ARG HA H 3.960 0.02 1 1280 140 140 ARG HB2 H 2.279 0.02 2 1281 140 140 ARG HB3 H 2.001 0.02 2 1282 140 140 ARG HG2 H 1.864 0.02 2 1283 140 140 ARG HG3 H 1.423 0.02 2 1284 140 140 ARG HD2 H 3.319 0.02 2 1285 140 140 ARG HD3 H 2.935 0.02 2 1286 140 140 ARG C C 177.823 0.35 1 1287 140 140 ARG CA C 58.696 0.35 1 1288 140 140 ARG CB C 28.843 0.35 1 1289 140 140 ARG CG C 27.337 0.35 1 1290 140 140 ARG CD C 42.674 0.35 1 1291 140 140 ARG N N 118.832 0.2 1 1292 141 141 GLN H H 8.116 0.02 1 1293 141 141 GLN HA H 3.961 0.02 1 1294 141 141 GLN HB2 H 2.306 0.02 2 1295 141 141 GLN HB3 H 2.278 0.02 2 1296 141 141 GLN HG2 H 2.983 0.02 2 1297 141 141 GLN HG3 H 2.942 0.02 2 1298 141 141 GLN C C 178.494 0.35 1 1299 141 141 GLN CA C 58.552 0.35 1 1300 141 141 GLN CB C 28.116 0.35 1 1301 141 141 GLN CG C 33.607 0.35 1 1302 141 141 GLN N N 115.778 0.2 1 1303 142 142 THR H H 8.678 0.02 1 1304 142 142 THR HA H 4.330 0.02 1 1305 142 142 THR HB H 4.041 0.02 1 1306 142 142 THR HG2 H 0.978 0.02 1 1307 142 142 THR C C 175.830 0.35 1 1308 142 142 THR CA C 67.460 0.35 1 1309 142 142 THR CB C 68.097 0.35 1 1310 142 142 THR CG2 C 16.402 0.35 1 1311 142 142 THR N N 115.552 0.2 1 1312 143 143 ALA H H 8.626 0.02 1 1313 143 143 ALA HA H 3.967 0.02 1 1314 143 143 ALA HB H 1.370 0.02 1 1315 143 143 ALA C C 178.655 0.35 1 1316 143 143 ALA CA C 56.451 0.35 1 1317 143 143 ALA CB C 18.212 0.35 1 1318 143 143 ALA N N 122.484 0.2 1 1319 144 144 GLU H H 8.090 0.02 1 1320 144 144 GLU HA H 4.330 0.02 1 1321 144 144 GLU HB2 H 2.017 0.02 1 1322 144 144 GLU HB3 H 2.017 0.02 1 1323 144 144 GLU HG2 H 1.645 0.02 1 1324 144 144 GLU HG3 H 1.645 0.02 1 1325 144 144 GLU C C 179.313 0.35 1 1326 144 144 GLU CA C 59.355 0.35 1 1327 144 144 GLU CB C 27.301 0.35 1 1328 144 144 GLU CG C 34.989 0.35 1 1329 144 144 GLU N N 114.792 0.2 1 1330 145 145 ASP H H 8.474 0.02 1 1331 145 145 ASP HA H 4.282 0.02 1 1332 145 145 ASP HB2 H 1.969 0.02 1 1333 145 145 ASP HB3 H 1.969 0.02 1 1334 145 145 ASP C C 178.330 0.35 1 1335 145 145 ASP CA C 56.567 0.35 1 1336 145 145 ASP CB C 40.262 0.35 1 1337 145 145 ASP N N 120.359 0.2 1 1338 146 146 ALA H H 8.076 0.02 1 1339 146 146 ALA HA H 3.329 0.02 1 1340 146 146 ALA HB H 1.606 0.02 1 1341 146 146 ALA C C 179.323 0.35 1 1342 146 146 ALA CA C 55.984 0.35 1 1343 146 146 ALA CB C 17.555 0.35 1 1344 146 146 ALA N N 124.668 0.2 1 1345 147 147 VAL H H 7.469 0.02 1 1346 147 147 VAL HA H 4.025 0.02 1 1347 147 147 VAL HB H 2.014 0.02 1 1348 147 147 VAL HG1 H 1.082 0.02 2 1349 147 147 VAL HG2 H 1.145 0.02 2 1350 147 147 VAL C C 181.625 0.35 1 1351 147 147 VAL CA C 65.596 0.35 1 1352 147 147 VAL CB C 31.443 0.35 1 1353 147 147 VAL CG1 C 19.902 0.35 2 1354 147 147 VAL CG2 C 22.115 0.35 2 1355 147 147 VAL N N 118.561 0.2 1 1356 148 148 ARG H H 7.997 0.02 1 1357 148 148 ARG HA H 4.068 0.02 1 1358 148 148 ARG HB2 H 1.894 0.02 1 1359 148 148 ARG HB3 H 1.894 0.02 1 1360 148 148 ARG HG2 H 1.611 0.02 2 1361 148 148 ARG HG3 H 1.175 0.02 2 1362 148 148 ARG HD2 H 3.258 0.02 2 1363 148 148 ARG HD3 H 3.157 0.02 2 1364 148 148 ARG C C 177.689 0.35 1 1365 148 148 ARG CA C 58.830 0.35 1 1366 148 148 ARG CB C 29.223 0.35 1 1367 148 148 ARG CG C 27.086 0.35 1 1368 148 148 ARG CD C 42.566 0.35 1 1369 148 148 ARG N N 122.214 0.2 1 1370 149 149 ASN H H 7.479 0.02 1 1371 149 149 ASN HA H 4.663 0.02 1 1372 149 149 ASN HB2 H 2.833 0.02 2 1373 149 149 ASN HB3 H 2.294 0.02 2 1374 149 149 ASN HD21 H 5.811 0.02 1 1375 149 149 ASN C C 174.465 0.35 1 1376 149 149 ASN CA C 53.377 0.35 1 1377 149 149 ASN CB C 39.373 0.35 1 1378 149 149 ASN N N 115.230 0.2 1 1379 150 150 GLY H H 7.941 0.02 1 1380 150 150 GLY HA2 H 4.107 0.02 2 1381 150 150 GLY HA3 H 3.824 0.02 2 1382 150 150 GLY C C 174.352 0.35 1 1383 150 150 GLY CA C 45.856 0.35 1 1384 150 150 GLY N N 106.808 0.2 1 1385 151 151 LEU H H 7.932 0.02 1 1386 151 151 LEU HA H 4.422 0.02 1 1387 151 151 LEU HB2 H 0.933 0.02 1 1388 151 151 LEU HB3 H 0.933 0.02 1 1389 151 151 LEU HG H 1.444 0.02 1 1390 151 151 LEU HD1 H 0.769 0.02 2 1391 151 151 LEU HD2 H 0.715 0.02 2 1392 151 151 LEU C C 177.626 0.35 1 1393 151 151 LEU CA C 53.424 0.35 1 1394 151 151 LEU CB C 40.790 0.35 1 1395 151 151 LEU CG C 26.453 0.35 1 1396 151 151 LEU CD1 C 20.045 0.35 1 1397 151 151 LEU CD2 C 20.045 0.35 1 1398 151 151 LEU N N 120.462 0.2 1 1399 152 152 ALA H H 8.170 0.02 1 1400 152 152 ALA HA H 4.408 0.02 1 1401 152 152 ALA HB H 1.601 0.02 1 1402 152 152 ALA C C 177.656 0.35 1 1403 152 152 ALA CA C 53.184 0.35 1 1404 152 152 ALA CB C 17.703 0.35 1 1405 152 152 ALA N N 130.167 0.2 1 1406 153 153 THR H H 8.732 0.02 1 1407 153 153 THR HA H 5.402 0.02 1 1408 153 153 THR HB H 3.693 0.02 1 1409 153 153 THR HG2 H 1.142 0.02 1 1410 153 153 THR C C 173.850 0.35 1 1411 153 153 THR CA C 63.352 0.35 1 1412 153 153 THR CB C 70.505 0.35 1 1413 153 153 THR CG2 C 23.776 0.35 1 1414 153 153 THR N N 124.053 0.2 1 1415 154 154 ARG H H 9.032 0.02 1 1416 154 154 ARG HA H 5.661 0.02 1 1417 154 154 ARG HB2 H 2.161 0.02 2 1418 154 154 ARG HB3 H 1.494 0.02 2 1419 154 154 ARG HG2 H 1.922 0.02 2 1420 154 154 ARG HG3 H 1.545 0.02 2 1421 154 154 ARG HD2 H 2.867 0.02 2 1422 154 154 ARG HD3 H 3.347 0.02 2 1423 154 154 ARG C C 175.818 0.35 1 1424 154 154 ARG CA C 53.092 0.35 1 1425 154 154 ARG CB C 32.119 0.35 1 1426 154 154 ARG CG C 24.433 0.35 1 1427 154 154 ARG CD C 43.225 0.35 1 1428 154 154 ARG N N 124.985 0.2 1 1429 155 155 VAL H H 8.655 0.02 1 1430 155 155 VAL HA H 4.584 0.02 1 1431 155 155 VAL HB H 1.690 0.02 1 1432 155 155 VAL HG1 H 0.578 0.02 2 1433 155 155 VAL HG2 H 0.743 0.02 2 1434 155 155 VAL C C 174.901 0.35 1 1435 155 155 VAL CA C 60.493 0.35 1 1436 155 155 VAL CB C 33.197 0.35 1 1437 155 155 VAL CG1 C 20.404 0.35 2 1438 155 155 VAL CG2 C 22.324 0.35 2 1439 155 155 VAL N N 121.499 0.2 1 1440 156 156 LEU H H 6.924 0.02 1 1441 156 156 LEU HA H 4.985 0.02 1 1442 156 156 LEU HB2 H 1.115 0.02 1 1443 156 156 LEU HB3 H 1.115 0.02 1 1444 156 156 LEU HG H 1.295 0.02 1 1445 156 156 LEU HD1 H 0.678 0.02 2 1446 156 156 LEU HD2 H 0.519 0.02 2 1447 156 156 LEU C C 177.137 0.35 1 1448 156 156 LEU CA C 52.286 0.35 1 1449 156 156 LEU CB C 37.057 0.35 1 1450 156 156 LEU CG C 27.148 0.35 1 1451 156 156 LEU N N 126.602 0.2 1 1452 157 157 VAL H H 8.324 0.02 1 1453 157 157 VAL HA H 3.354 0.02 1 1454 157 157 VAL HB H 1.993 0.02 1 1455 157 157 VAL HG1 H 0.881 0.02 2 1456 157 157 VAL HG2 H 0.934 0.02 2 1457 157 157 VAL C C 177.716 0.35 1 1458 157 157 VAL CA C 65.887 0.35 1 1459 157 157 VAL CB C 31.589 0.35 1 1460 157 157 VAL CG1 C 21.258 0.35 1 1461 157 157 VAL CG2 C 21.258 0.35 1 1462 157 157 VAL N N 121.556 0.2 1 1463 158 158 ASP H H 9.527 0.02 1 1464 158 158 ASP HA H 4.474 0.02 1 1465 158 158 ASP HB2 H 2.747 0.02 1 1466 158 158 ASP HB3 H 2.747 0.02 1 1467 158 158 ASP C C 175.961 0.35 1 1468 158 158 ASP CA C 55.020 0.35 1 1469 158 158 ASP CB C 38.024 0.35 1 1470 158 158 ASP N N 116.870 0.2 1 1471 159 159 LEU H H 7.842 0.02 1 1472 159 159 LEU HA H 4.581 0.02 1 1473 159 159 LEU HB2 H 1.615 0.02 1 1474 159 159 LEU HB3 H 1.615 0.02 1 1475 159 159 LEU HG H 1.256 0.02 1 1476 159 159 LEU HD1 H 0.584 0.02 2 1477 159 159 LEU HD2 H 0.326 0.02 2 1478 159 159 LEU C C 174.676 0.35 1 1479 159 159 LEU CA C 53.038 0.35 1 1480 159 159 LEU CB C 39.508 0.35 1 1481 159 159 LEU CG C 24.863 0.35 1 1482 159 159 LEU CD1 C 22.273 0.35 1 1483 159 159 LEU CD2 C 22.273 0.35 1 1484 159 159 LEU N N 121.365 0.2 1 1485 160 160 THR H H 7.134 0.02 1 1486 160 160 THR HA H 5.656 0.02 1 1487 160 160 THR HB H 4.184 0.02 1 1488 160 160 THR HG2 H 1.114 0.02 1 1489 160 160 THR C C 172.602 0.35 1 1490 160 160 THR CA C 59.193 0.35 1 1491 160 160 THR CB C 72.207 0.35 1 1492 160 160 THR CG2 C 21.622 0.35 1 1493 160 160 THR N N 108.099 0.2 1 1494 161 161 ALA H H 7.198 0.02 1 1495 161 161 ALA HA H 4.695 0.02 1 1496 161 161 ALA HB H 1.280 0.02 1 1497 161 161 ALA C C 177.088 0.35 1 1498 161 161 ALA CA C 51.543 0.35 1 1499 161 161 ALA CB C 21.289 0.35 1 1500 161 161 ALA N N 121.331 0.2 1 1501 162 162 GLY H H 8.553 0.02 1 1502 162 162 GLY HA2 H 4.765 0.02 2 1503 162 162 GLY HA3 H 4.048 0.02 2 1504 162 162 GLY C C 173.493 0.35 1 1505 162 162 GLY CA C 43.252 0.35 1 1506 162 162 GLY N N 110.274 0.2 1 1507 163 163 VAL H H 10.892 0.02 1 1508 163 163 VAL HA H 3.832 0.02 1 1509 163 163 VAL HB H 2.498 0.02 1 1510 163 163 VAL HG1 H 0.783 0.02 2 1511 163 163 VAL HG2 H 1.002 0.02 2 1512 163 163 VAL C C 177.604 0.35 1 1513 163 163 VAL CA C 66.405 0.35 1 1514 163 163 VAL CB C 30.897 0.35 1 1515 163 163 VAL CG1 C 20.571 0.35 1 1516 163 163 VAL CG2 C 20.571 0.35 1 1517 163 163 VAL N N 124.700 0.2 1 1518 164 164 SER H H 8.145 0.02 1 1519 164 164 SER HA H 4.250 0.02 1 1520 164 164 SER HB2 H 3.928 0.02 1 1521 164 164 SER HB3 H 3.928 0.02 1 1522 164 164 SER C C 175.380 0.35 1 1523 164 164 SER CA C 56.372 0.35 1 1524 164 164 SER CB C 65.620 0.35 1 1525 164 164 SER N N 111.289 0.2 1 1526 165 165 ALA H H 8.076 0.02 1 1527 165 165 ALA HA H 4.089 0.02 1 1528 165 165 ALA HB H 1.551 0.02 1 1529 165 165 ALA C C 179.887 0.35 1 1530 165 165 ALA CA C 55.967 0.35 1 1531 165 165 ALA CB C 17.633 0.35 1 1532 165 165 ALA N N 124.557 0.2 1 1533 166 166 ASP H H 8.708 0.02 1 1534 166 166 ASP HA H 4.408 0.02 1 1535 166 166 ASP HB2 H 2.757 0.02 1 1536 166 166 ASP HB3 H 2.757 0.02 1 1537 166 166 ASP C C 179.860 0.35 1 1538 166 166 ASP CA C 56.932 0.35 1 1539 166 166 ASP CB C 38.948 0.35 1 1540 166 166 ASP N N 116.346 0.2 1 1541 167 167 THR H H 7.887 0.02 1 1542 167 167 THR HA H 4.185 0.02 1 1543 167 167 THR HB H 4.646 0.02 1 1544 167 167 THR HG2 H 0.824 0.02 1 1545 167 167 THR C C 178.844 0.35 1 1546 167 167 THR CA C 64.217 0.35 1 1547 167 167 THR CB C 67.067 0.35 1 1548 167 167 THR CG2 C 18.684 0.35 1 1549 167 167 THR N N 111.338 0.2 1 1550 168 168 THR H H 8.385 0.02 1 1551 168 168 THR HA H 4.339 0.02 1 1552 168 168 THR HB H 3.743 0.02 1 1553 168 168 THR HG2 H 1.077 0.02 1 1554 168 168 THR C C 174.915 0.35 1 1555 168 168 THR CA C 69.474 0.35 1 1556 168 168 THR CB C 67.502 0.35 1 1557 168 168 THR CG2 C 19.428 0.35 1 1558 168 168 THR N N 123.826 0.2 1 1559 169 169 VAL H H 7.969 0.02 1 1560 169 169 VAL HA H 3.614 0.02 1 1561 169 169 VAL HB H 2.111 0.02 1 1562 169 169 VAL HG1 H 0.997 0.02 2 1563 169 169 VAL HG2 H 1.137 0.02 2 1564 169 169 VAL C C 178.992 0.35 1 1565 169 169 VAL CA C 67.072 0.35 1 1566 169 169 VAL CB C 31.074 0.35 1 1567 169 169 VAL CG1 C 19.885 0.35 2 1568 169 169 VAL CG2 C 21.766 0.35 2 1569 169 169 VAL N N 121.595 0.2 1 1570 170 170 ALA H H 7.325 0.02 1 1571 170 170 ALA HA H 4.172 0.02 1 1572 170 170 ALA HB H 1.439 0.02 1 1573 170 170 ALA C C 180.153 0.35 1 1574 170 170 ALA CA C 54.613 0.35 1 1575 170 170 ALA CB C 17.784 0.35 1 1576 170 170 ALA N N 120.395 0.2 1 1577 171 171 ALA H H 8.212 0.02 1 1578 171 171 ALA HA H 4.025 0.02 1 1579 171 171 ALA HB H 1.400 0.02 1 1580 171 171 ALA C C 178.775 0.35 1 1581 171 171 ALA CA C 53.759 0.35 1 1582 171 171 ALA CB C 18.795 0.35 1 1583 171 171 ALA N N 121.252 0.2 1 1584 172 172 LEU H H 8.252 0.02 1 1585 172 172 LEU HA H 3.961 0.02 1 1586 172 172 LEU HB2 H 1.358 0.02 2 1587 172 172 LEU HB3 H 2.147 0.02 2 1588 172 172 LEU HG H 0.747 0.02 1 1589 172 172 LEU C C 178.059 0.35 1 1590 172 172 LEU CA C 56.622 0.35 1 1591 172 172 LEU CB C 40.799 0.35 1 1592 172 172 LEU CG C 26.014 0.35 1 1593 172 172 LEU CD1 C 22.286 0.35 1 1594 172 172 LEU CD2 C 22.286 0.35 1 1595 172 172 LEU N N 118.823 0.2 1 1596 173 173 GLU H H 7.521 0.02 1 1597 173 173 GLU HA H 4.169 0.02 1 1598 173 173 GLU HB2 H 2.116 0.02 1 1599 173 173 GLU HB3 H 2.116 0.02 1 1600 173 173 GLU HG2 H 2.252 0.02 1 1601 173 173 GLU HG3 H 2.252 0.02 1 1602 173 173 GLU C C 177.323 0.35 1 1603 173 173 GLU CA C 57.370 0.35 1 1604 173 173 GLU CB C 29.126 0.35 1 1605 173 173 GLU CG C 34.571 0.35 1 1606 173 173 GLU N N 118.117 0.2 1 1607 174 174 GLU H H 8.297 0.02 1 1608 174 174 GLU HA H 3.996 0.02 1 1609 174 174 GLU HB2 H 2.072 0.02 1 1610 174 174 GLU HB3 H 2.072 0.02 1 1611 174 174 GLU HG2 H 2.411 0.02 1 1612 174 174 GLU HG3 H 2.411 0.02 1 1613 174 174 GLU C C 180.336 0.35 1 1614 174 174 GLU CA C 58.672 0.35 1 1615 174 174 GLU CB C 30.038 0.35 1 1616 174 174 GLU CG C 35.486 0.35 1 1617 174 174 GLU N N 120.927 0.2 1 1618 175 175 MET H H 8.698 0.02 1 1619 175 175 MET HA H 3.913 0.02 1 1620 175 175 MET HB2 H 2.885 0.02 1 1621 175 175 MET HB3 H 2.885 0.02 1 1622 175 175 MET HG2 H 3.404 0.02 1 1623 175 175 MET HG3 H 3.404 0.02 1 1624 175 175 MET C C 177.818 0.35 1 1625 175 175 MET CA C 60.501 0.35 1 1626 175 175 MET CB C 34.208 0.35 1 1627 175 175 MET CG C 33.788 0.35 1 1628 175 175 MET CE C 23.331 0.35 1 1629 175 175 MET N N 118.555 0.2 1 1630 176 176 ARG H H 8.226 0.02 1 1631 176 176 ARG HA H 4.377 0.02 1 1632 176 176 ARG HB2 H 2.039 0.02 1 1633 176 176 ARG HB3 H 2.039 0.02 1 1634 176 176 ARG HG2 H 1.886 0.02 2 1635 176 176 ARG HG3 H 1.642 0.02 2 1636 176 176 ARG HD2 H 3.248 0.02 2 1637 176 176 ARG HD3 H 3.071 0.02 2 1638 176 176 ARG C C 181.473 0.35 1 1639 176 176 ARG CA C 59.275 0.35 1 1640 176 176 ARG CB C 29.199 0.35 1 1641 176 176 ARG CG C 26.205 0.35 1 1642 176 176 ARG CD C 42.646 0.35 1 1643 176 176 ARG N N 120.195 0.2 1 1644 177 177 THR H H 8.099 0.02 1 1645 177 177 THR HA H 4.077 0.02 1 1646 177 177 THR HB H 4.387 0.02 1 1647 177 177 THR HG2 H 0.819 0.02 1 1648 177 177 THR C C 174.760 0.35 1 1649 177 177 THR CA C 65.277 0.35 1 1650 177 177 THR CB C 68.485 0.35 1 1651 177 177 THR CG2 C 20.263 0.35 1 1652 177 177 THR N N 115.706 0.2 1 1653 178 178 ALA H H 7.634 0.02 1 1654 178 178 ALA HA H 4.487 0.02 1 1655 178 178 ALA HB H 1.554 0.02 1 1656 178 178 ALA C C 176.199 0.35 1 1657 178 178 ALA CA C 51.894 0.35 1 1658 178 178 ALA CB C 17.863 0.35 1 1659 178 178 ALA N N 124.309 0.2 1 1660 179 179 SER H H 7.653 0.02 1 1661 179 179 SER HA H 3.977 0.02 1 1662 179 179 SER HB2 H 4.400 0.02 1 1663 179 179 SER HB3 H 4.400 0.02 1 1664 179 179 SER C C 174.310 0.35 1 1665 179 179 SER CA C 60.384 0.35 1 1666 179 179 SER CB C 61.389 0.35 1 1667 179 179 SER N N 107.362 0.2 1 1668 180 180 VAL H H 7.859 0.02 1 1669 180 180 VAL HA H 3.707 0.02 1 1670 180 180 VAL HB H 1.678 0.02 1 1671 180 180 VAL HG1 H 0.672 0.02 2 1672 180 180 VAL HG2 H 0.764 0.02 2 1673 180 180 VAL C C 175.776 0.35 1 1674 180 180 VAL CA C 62.329 0.35 1 1675 180 180 VAL CB C 31.752 0.35 1 1676 180 180 VAL CG1 C 21.026 0.35 1 1677 180 180 VAL CG2 C 21.026 0.35 1 1678 180 180 VAL N N 121.650 0.2 1 1679 181 181 GLU H H 8.391 0.02 1 1680 181 181 GLU HA H 4.335 0.02 1 1681 181 181 GLU HB2 H 2.038 0.02 1 1682 181 181 GLU HB3 H 2.038 0.02 1 1683 181 181 GLU HG2 H 2.719 0.02 1 1684 181 181 GLU HG3 H 2.719 0.02 1 1685 181 181 GLU C C 174.992 0.35 1 1686 181 181 GLU CA C 56.049 0.35 1 1687 181 181 GLU CB C 30.099 0.35 1 1688 181 181 GLU CG C 34.747 0.35 1 1689 181 181 GLU N N 128.477 0.2 1 1690 182 182 LEU H H 8.477 0.02 1 1691 182 182 LEU HA H 4.948 0.02 1 1692 182 182 LEU HB2 H 1.915 0.02 2 1693 182 182 LEU HB3 H 1.222 0.02 2 1694 182 182 LEU HG H 1.682 0.02 1 1695 182 182 LEU HD1 H 0.996 0.02 2 1696 182 182 LEU HD2 H 0.772 0.02 2 1697 182 182 LEU C C 176.349 0.35 1 1698 182 182 LEU CA C 53.496 0.35 1 1699 182 182 LEU CB C 40.508 0.35 1 1700 182 182 LEU CG C 25.736 0.35 1 1701 182 182 LEU CD1 C 22.124 0.35 2 1702 182 182 LEU CD2 C 19.998 0.35 2 1703 182 182 LEU N N 127.113 0.2 1 1704 183 183 VAL H H 8.383 0.02 1 1705 183 183 VAL HA H 4.684 0.02 1 1706 183 183 VAL HB H 2.124 0.02 1 1707 183 183 VAL HG1 H 0.710 0.02 2 1708 183 183 VAL HG2 H 0.854 0.02 2 1709 183 183 VAL C C 174.478 0.35 1 1710 183 183 VAL CA C 59.394 0.35 1 1711 183 183 VAL CB C 34.829 0.35 1 1712 183 183 VAL CG1 C 25.416 0.35 1 1713 183 183 VAL CG2 C 25.416 0.35 1 1714 183 183 VAL N N 120.118 0.2 1 1715 184 184 CYS H H 8.318 0.02 1 1716 184 184 CYS HA H 4.848 0.02 1 1717 184 184 CYS HB2 H 2.793 0.02 1 1718 184 184 CYS HB3 H 2.793 0.02 1 1719 184 184 CYS HG H 3.881 0.02 1 1720 184 184 CYS C C 175.436 0.35 1 1721 184 184 CYS CA C 57.611 0.35 1 1722 184 184 CYS CB C 28.799 0.35 1 1723 184 184 CYS N N 119.859 0.2 1 1724 185 185 SER H H 10.398 0.02 1 1725 185 185 SER HA H 4.124 0.02 1 1726 185 185 SER HB2 H 3.544 0.02 1 1727 185 185 SER HB3 H 3.544 0.02 1 1728 185 185 SER C C 174.893 0.35 1 1729 185 185 SER CA C 59.751 0.35 1 1730 185 185 SER CB C 63.423 0.35 1 1731 185 185 SER N N 123.036 0.2 1 1732 186 186 SER H H 8.109 0.02 1 1733 186 186 SER HA H 4.534 0.02 1 1734 186 186 SER HB2 H 4.282 0.02 2 1735 186 186 SER HB3 H 3.509 0.02 2 1736 186 186 SER C C 175.102 0.35 1 1737 186 186 SER CA C 58.881 0.35 1 1738 186 186 SER CB C 63.248 0.35 1 1739 186 186 SER N N 115.014 0.2 1 stop_ save_