data_17818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of a FKBP-type peptidyl-prolyl cis-trans isomerase from Giardia lamblia. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target GilaA.00840.a ; _BMRB_accession_number 17818 _BMRB_flat_file_name bmr17818.str _Entry_type original _Submission_date 2011-07-29 _Accession_date 2011-07-29 _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 Buchko Garry W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 378 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-09 update BMRB 'update entry citation' 2011-08-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of a putative FKBP-type peptidyl-propyl cis-trans isomerase from Giardia lamblia.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24293257 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Hewitt Stephen N. . 3 'Van Voorhis' Wesley C. . 4 Myler Peter J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 57 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 369 _Page_last 374 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FKBP-type peptidyl-prolyl cis-trans isomerase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FKBP $FKBP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FKBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP _Molecular_mass 14160.289 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MAHHHHHHMGTLEAQTQGPG SMSAQLEKKVLTPGDGVTKP QAGKKVTVHYDGRFPDGKQF DSSRSRGKPFQFTLGAGEVI KGWDQGVATMTLGEKALFTI PYQLAYGERGYPPVIPPKAT LVFEVELLAV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 MET 10 GLY 11 THR 12 LEU 13 GLU 14 ALA 15 GLN 16 THR 17 GLN 18 GLY 19 PRO 20 GLY 21 SER 22 MET 23 SER 24 ALA 25 GLN 26 LEU 27 GLU 28 LYS 29 LYS 30 VAL 31 LEU 32 THR 33 PRO 34 GLY 35 ASP 36 GLY 37 VAL 38 THR 39 LYS 40 PRO 41 GLN 42 ALA 43 GLY 44 LYS 45 LYS 46 VAL 47 THR 48 VAL 49 HIS 50 TYR 51 ASP 52 GLY 53 ARG 54 PHE 55 PRO 56 ASP 57 GLY 58 LYS 59 GLN 60 PHE 61 ASP 62 SER 63 SER 64 ARG 65 SER 66 ARG 67 GLY 68 LYS 69 PRO 70 PHE 71 GLN 72 PHE 73 THR 74 LEU 75 GLY 76 ALA 77 GLY 78 GLU 79 VAL 80 ILE 81 LYS 82 GLY 83 TRP 84 ASP 85 GLN 86 GLY 87 VAL 88 ALA 89 THR 90 MET 91 THR 92 LEU 93 GLY 94 GLU 95 LYS 96 ALA 97 LEU 98 PHE 99 THR 100 ILE 101 PRO 102 TYR 103 GLN 104 LEU 105 ALA 106 TYR 107 GLY 108 GLU 109 ARG 110 GLY 111 TYR 112 PRO 113 PRO 114 VAL 115 ILE 116 PRO 117 PRO 118 LYS 119 ALA 120 THR 121 LEU 122 VAL 123 PHE 124 GLU 125 VAL 126 GLU 127 LEU 128 LEU 129 ALA 130 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-15 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 2LGO "Solution Nmr Structure Of A Fkbp-type Peptidyl-prolyl Cis-trans Isomerase From Giardia Lamblia, Seattle Structural Genomics Cen" 100.00 130 100.00 100.00 1.22e-88 GB AAM33435 "FKBP [Giardia lamblia ATCC 50803]" 83.85 109 100.00 100.00 9.28e-72 GB EDO81467 "FKBP-type peptidyl-prolyl cis-trans isomerase [Giardia lamblia ATCC 50803]" 83.85 109 100.00 100.00 9.28e-72 GB EET00236 "FKBP-type peptidyl-prolyl cis-trans isomerase [Giardia intestinalis ATCC 50581]" 83.85 109 97.25 100.00 4.86e-70 GB EFO62827 "FKBP-type peptidyl-prolyl cis-trans isomerase [Giardia lamblia P15]" 83.85 109 99.08 100.00 2.32e-71 GB ESU38634 "Peptidyl-prolyl cis-trans isomerase [Giardia intestinalis]" 83.85 109 100.00 100.00 9.28e-72 REF XP_001709141 "FKBP-type peptidyl-prolyl cis-trans isomerase [Giardia lamblia ATCC 50803]" 83.85 109 100.00 100.00 9.28e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FKBP 'Giardia lamblia' 184922 Eukaryota . Giardia lamblia 'ATCC 50803' 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 $FKBP 'recombinant technology' . Escherichia coli BL21 AVA0421 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FKBP 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FKBP 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_deuterium_exchange_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'deuterium exchange' _Sample_label $sample_2 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCDHD_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCDHD' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCEHE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCEHE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 0.01 M pH 7 0.2 pH pressure 1 . atm temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FKBP _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 8 8 HIS CA C 54.7 0.2 1 2 8 8 HIS CB C 31.2 0.2 1 3 9 9 MET H H 8.11 0.02 1 4 9 9 MET HA H 4.28 0.02 1 5 9 9 MET CA C 55.5 0.2 1 6 9 9 MET CB C 32.5 0.2 1 7 9 9 MET CG C 31.9 0.2 1 8 9 9 MET N N 120.0 0.2 1 9 10 10 GLY H H 8.44 0.02 1 10 10 10 GLY HA2 H 3.99 0.02 2 11 10 10 GLY HA3 H 3.99 0.02 2 12 10 10 GLY CA C 45.3 0.2 1 13 10 10 GLY N N 109.8 0.2 1 14 11 11 THR H H 8.07 0.02 1 15 11 11 THR HA H 4.33 0.02 1 16 11 11 THR HB H 4.24 0.02 1 17 11 11 THR HG2 H 1.20 0.02 1 18 11 11 THR CA C 62.0 0.2 1 19 11 11 THR CB C 69.9 0.2 1 20 11 11 THR CG2 C 21.7 0.2 1 21 11 11 THR N N 113.6 0.2 1 22 12 12 LEU H H 8.38 0.02 1 23 12 12 LEU HA H 4.32 0.02 1 24 12 12 LEU HB2 H 1.60 0.02 2 25 12 12 LEU HB3 H 1.60 0.02 2 26 12 12 LEU CA C 55.5 0.2 1 27 12 12 LEU CB C 42.1 0.2 1 28 12 12 LEU N N 124.2 0.2 1 29 13 13 GLU H H 8.43 0.02 1 30 13 13 GLU HA H 4.20 0.02 1 31 13 13 GLU HB2 H 2.02 0.02 2 32 13 13 GLU HB3 H 1.93 0.02 2 33 13 13 GLU HG2 H 2.26 0.02 2 34 13 13 GLU HG3 H 2.26 0.02 2 35 13 13 GLU CA C 56.9 0.2 1 36 13 13 GLU CB C 30.0 0.2 1 37 13 13 GLU CG C 36.3 0.2 1 38 13 13 GLU N N 121.6 0.2 1 39 14 14 ALA H H 8.29 0.02 1 40 14 14 ALA HA H 4.27 0.02 1 41 14 14 ALA HB H 1.39 0.02 1 42 14 14 ALA CA C 52.7 0.2 1 43 14 14 ALA CB C 19.1 0.2 1 44 14 14 ALA N N 124.4 0.2 1 45 15 15 GLN H H 8.37 0.02 1 46 15 15 GLN HA H 4.39 0.02 1 47 15 15 GLN HB2 H 2.02 0.02 2 48 15 15 GLN HB3 H 2.15 0.02 2 49 15 15 GLN CA C 56.0 0.2 1 50 15 15 GLN CB C 29.4 0.2 1 51 15 15 GLN N N 119.1 0.2 1 52 16 16 THR H H 8.20 0.02 1 53 16 16 THR CA C 62.1 0.2 1 54 16 16 THR CB C 69.8 0.2 1 55 16 16 THR CG2 C 21.4 0.2 1 56 16 16 THR N N 114.9 0.2 1 57 17 17 GLN H H 8.42 0.02 1 58 17 17 GLN HA H 4.43 0.02 1 59 17 17 GLN HB2 H 2.00 0.02 2 60 17 17 GLN HB3 H 2.16 0.02 2 61 17 17 GLN HG2 H 2.40 0.02 2 62 17 17 GLN HG3 H 2.40 0.02 2 63 17 17 GLN CA C 55.6 0.2 1 64 17 17 GLN CB C 29.7 0.2 1 65 17 17 GLN CG C 33.8 0.2 1 66 17 17 GLN N N 122.2 0.2 1 67 18 18 GLY H H 8.36 0.02 1 68 18 18 GLY HA2 H 4.09 0.02 2 69 18 18 GLY HA3 H 4.09 0.02 2 70 18 18 GLY CA C 44.6 0.2 1 71 18 18 GLY N N 110.1 0.2 1 72 19 19 PRO HA H 4.44 0.02 1 73 19 19 PRO HB2 H 2.29 0.02 2 74 19 19 PRO HB3 H 1.99 0.02 2 75 19 19 PRO HG2 H 2.04 0.02 2 76 19 19 PRO HG3 H 2.04 0.02 2 77 19 19 PRO HD2 H 3.66 0.02 2 78 19 19 PRO HD3 H 3.66 0.02 2 79 19 19 PRO CA C 63.6 0.2 1 80 19 19 PRO CB C 32.0 0.2 1 81 19 19 PRO CG C 27.1 0.2 1 82 19 19 PRO CD C 49.7 0.2 1 83 20 20 GLY H H 8.63 0.02 1 84 20 20 GLY CA C 45.3 0.2 1 85 20 20 GLY N N 109.4 0.2 1 86 21 21 SER H H 8.18 0.02 1 87 21 21 SER CA C 63.8 0.2 1 88 21 21 SER N N 115.4 0.2 1 89 22 22 MET H H 8.44 0.02 1 90 22 22 MET CA C 55.5 0.2 1 91 22 22 MET CB C 32.8 0.2 1 92 22 22 MET CG C 32.0 0.2 1 93 22 22 MET N N 121.9 0.2 1 94 23 23 SER H H 8.29 0.02 1 95 23 23 SER HA H 4.40 0.02 1 96 23 23 SER HB2 H 3.84 0.02 2 97 23 23 SER HB3 H 3.84 0.02 2 98 23 23 SER CA C 58.3 0.2 1 99 23 23 SER CB C 63.7 0.2 1 100 23 23 SER N N 116.6 0.2 1 101 24 24 ALA H H 8.20 0.02 1 102 24 24 ALA HA H 4.29 0.02 1 103 24 24 ALA HB H 1.20 0.02 1 104 24 24 ALA CA C 52.1 0.2 1 105 24 24 ALA CB C 19.3 0.2 1 106 24 24 ALA N N 125.7 0.2 1 107 25 25 GLN H H 8.28 0.02 1 108 25 25 GLN HA H 4.51 0.02 1 109 25 25 GLN HB2 H 2.11 0.02 2 110 25 25 GLN HB3 H 1.88 0.02 2 111 25 25 GLN HG2 H 2.33 0.02 2 112 25 25 GLN HG3 H 2.33 0.02 2 113 25 25 GLN CA C 54.2 0.2 1 114 25 25 GLN CB C 31.3 0.2 1 115 25 25 GLN CG C 33.5 0.2 1 116 25 25 GLN N N 118.3 0.2 1 117 26 26 LEU H H 8.48 0.02 1 118 26 26 LEU HA H 4.46 0.02 1 119 26 26 LEU HB2 H 1.80 0.02 2 120 26 26 LEU HB3 H 1.51 0.02 2 121 26 26 LEU CA C 55.3 0.2 1 122 26 26 LEU CB C 43.5 0.2 1 123 26 26 LEU N N 122.1 0.2 1 124 27 27 GLU H H 8.24 0.02 1 125 27 27 GLU HB2 H 2.15 0.02 2 126 27 27 GLU HB3 H 2.00 0.02 2 127 27 27 GLU HG2 H 2.33 0.02 2 128 27 27 GLU HG3 H 2.21 0.02 2 129 27 27 GLU CA C 55.3 0.2 1 130 27 27 GLU CB C 32.4 0.2 1 131 27 27 GLU CG C 36.1 0.2 1 132 27 27 GLU N N 125.3 0.2 1 133 28 28 LYS H H 8.81 0.02 1 134 28 28 LYS HA H 4.61 0.02 1 135 28 28 LYS HB2 H 1.74 0.02 2 136 28 28 LYS HB3 H 1.69 0.02 2 137 28 28 LYS HG2 H 1.39 0.02 2 138 28 28 LYS HG3 H 1.20 0.02 2 139 28 28 LYS HE2 H 2.94 0.02 2 140 28 28 LYS HE3 H 2.94 0.02 2 141 28 28 LYS CA C 54.5 0.2 1 142 28 28 LYS CB C 35.7 0.2 1 143 28 28 LYS CG C 24.7 0.2 1 144 28 28 LYS CE C 42.0 0.2 1 145 28 28 LYS N N 125.0 0.2 1 146 29 29 LYS H H 8.85 0.02 1 147 29 29 LYS HA H 5.03 0.02 1 148 29 29 LYS HB2 H 1.70 0.02 2 149 29 29 LYS HB3 H 1.54 0.02 2 150 29 29 LYS HD2 H 1.87 0.02 2 151 29 29 LYS HD3 H 1.70 0.02 2 152 29 29 LYS CA C 55.0 0.2 1 153 29 29 LYS CB C 36.2 0.2 1 154 29 29 LYS CG C 26.3 0.2 1 155 29 29 LYS CD C 28.8 0.2 1 156 29 29 LYS N N 128.1 0.2 1 157 30 30 VAL H H 9.17 0.02 1 158 30 30 VAL HA H 3.66 0.02 1 159 30 30 VAL HB H 1.98 0.02 1 160 30 30 VAL HG1 H 0.76 0.02 2 161 30 30 VAL HG2 H 0.75 0.02 2 162 30 30 VAL CA C 64.8 0.2 1 163 30 30 VAL CB C 31.6 0.2 1 164 30 30 VAL CG1 C 21.7 0.2 2 165 30 30 VAL N N 127.2 0.2 1 166 31 31 LEU H H 9.02 0.02 1 167 31 31 LEU HA H 4.44 0.02 1 168 31 31 LEU HB2 H 1.55 0.02 2 169 31 31 LEU HB3 H 1.44 0.02 2 170 31 31 LEU HG H 0.82 0.02 1 171 31 31 LEU HD1 H 0.76 0.02 2 172 31 31 LEU HD2 H 0.76 0.02 2 173 31 31 LEU CA C 56.0 0.2 1 174 31 31 LEU CB C 41.8 0.2 1 175 31 31 LEU CG C 26.0 0.2 1 176 31 31 LEU CD1 C 21.7 0.2 2 177 31 31 LEU CD2 C 21.7 0.2 2 178 31 31 LEU N N 129.8 0.2 1 179 32 32 THR H H 8.22 0.02 1 180 32 32 THR HB H 3.94 0.02 1 181 32 32 THR HG2 H 1.32 0.02 1 182 32 32 THR CA C 59.3 0.2 1 183 32 32 THR CB C 72.5 0.2 1 184 32 32 THR CG2 C 21.7 0.2 1 185 32 32 THR N N 115.7 0.2 1 186 33 33 PRO HA H 4.29 0.02 1 187 33 33 PRO HB2 H 2.33 0.02 2 188 33 33 PRO HB3 H 2.03 0.02 2 189 33 33 PRO CA C 63.0 0.2 1 190 33 33 PRO CB C 32.4 0.2 1 191 33 33 PRO CG C 27.3 0.2 1 192 33 33 PRO CD C 51.2 0.2 1 193 34 34 GLY H H 9.01 0.02 1 194 34 34 GLY HA2 H 4.11 0.02 2 195 34 34 GLY HA3 H 3.63 0.02 2 196 34 34 GLY CA C 44.2 0.2 1 197 34 34 GLY N N 109.4 0.2 1 198 35 35 ASP H H 8.37 0.02 1 199 35 35 ASP HA H 4.33 0.02 1 200 35 35 ASP HB2 H 3.09 0.02 2 201 35 35 ASP HB3 H 2.79 0.02 2 202 35 35 ASP CA C 54.7 0.2 1 203 35 35 ASP CB C 39.4 0.2 1 204 35 35 ASP N N 119.4 0.2 1 205 36 36 GLY H H 8.75 0.02 1 206 36 36 GLY HA2 H 4.25 0.02 2 207 36 36 GLY HA3 H 3.68 0.02 2 208 36 36 GLY CA C 46.0 0.2 1 209 36 36 GLY N N 107.9 0.2 1 210 37 37 VAL H H 8.59 0.02 1 211 37 37 VAL HA H 4.50 0.02 1 212 37 37 VAL HB H 2.01 0.02 1 213 37 37 VAL HG1 H 0.89 0.02 2 214 37 37 VAL HG2 H 0.81 0.02 2 215 37 37 VAL CA C 62.5 0.2 1 216 37 37 VAL CB C 35.9 0.2 1 217 37 37 VAL CG1 C 21.4 0.2 2 218 37 37 VAL CG2 C 19.3 0.2 2 219 37 37 VAL N N 116.2 0.2 1 220 38 38 THR H H 10.65 0.02 1 221 38 38 THR HA H 4.21 0.02 1 222 38 38 THR HB H 4.48 0.02 1 223 38 38 THR HG2 H 1.15 0.02 1 224 38 38 THR CA C 63.3 0.2 1 225 38 38 THR CB C 65.8 0.2 1 226 38 38 THR CG2 C 22.7 0.2 1 227 38 38 THR N N 126.4 0.2 1 228 39 39 LYS H H 8.39 0.02 1 229 39 39 LYS HB2 H 1.87 0.02 2 230 39 39 LYS HB3 H 1.56 0.02 2 231 39 39 LYS CA C 53.4 0.2 1 232 39 39 LYS CB C 33.2 0.2 1 233 39 39 LYS N N 127.0 0.2 1 234 40 40 PRO HB2 H 1.96 0.02 2 235 40 40 PRO HB3 H 1.77 0.02 2 236 40 40 PRO HG2 H 1.96 0.02 2 237 40 40 PRO HG3 H 1.88 0.02 2 238 40 40 PRO HD2 H 4.02 0.02 2 239 40 40 PRO HD3 H 3.59 0.02 2 240 40 40 PRO CA C 62.2 0.2 1 241 40 40 PRO CB C 33.3 0.2 1 242 40 40 PRO CG C 27.1 0.2 1 243 40 40 PRO CD C 51.1 0.2 1 244 41 41 GLN H H 8.75 0.02 1 245 41 41 GLN HA H 4.46 0.02 1 246 41 41 GLN HB2 H 1.94 0.02 2 247 41 41 GLN HB3 H 1.75 0.02 2 248 41 41 GLN HG2 H 2.33 0.02 2 249 41 41 GLN HG3 H 2.33 0.02 2 250 41 41 GLN HE21 H 7.55 0.02 2 251 41 41 GLN HE22 H 6.93 0.02 2 252 41 41 GLN CA C 53.7 0.2 1 253 41 41 GLN CB C 31.5 0.2 1 254 41 41 GLN CG C 33.7 0.2 1 255 41 41 GLN N N 120.9 0.2 1 256 41 41 GLN NE2 N 113.1 0.2 1 257 42 42 ALA H H 8.55 0.02 1 258 42 42 ALA HA H 3.78 0.02 1 259 42 42 ALA HB H 1.33 0.02 1 260 42 42 ALA CA C 53.4 0.2 1 261 42 42 ALA CB C 17.8 0.2 1 262 42 42 ALA N N 125.7 0.2 1 263 43 43 GLY H H 8.97 0.02 1 264 43 43 GLY HA2 H 4.21 0.02 2 265 43 43 GLY HA3 H 3.48 0.02 2 266 43 43 GLY CA C 45.2 0.2 1 267 43 43 GLY N N 109.7 0.2 1 268 44 44 LYS H H 7.92 0.02 1 269 44 44 LYS HA H 4.67 0.02 1 270 44 44 LYS HB2 H 1.95 0.02 2 271 44 44 LYS HB3 H 1.95 0.02 2 272 44 44 LYS HG2 H 1.39 0.02 2 273 44 44 LYS HG3 H 1.27 0.02 2 274 44 44 LYS HD2 H 1.64 0.02 2 275 44 44 LYS HD3 H 1.64 0.02 2 276 44 44 LYS HE2 H 2.98 0.02 2 277 44 44 LYS HE3 H 2.98 0.02 2 278 44 44 LYS CA C 53.8 0.2 1 279 44 44 LYS CB C 34.1 0.2 1 280 44 44 LYS CG C 25.2 0.2 1 281 44 44 LYS CD C 28.5 0.2 1 282 44 44 LYS CE C 42.1 0.2 1 283 44 44 LYS N N 120.3 0.2 1 284 45 45 LYS H H 8.34 0.02 1 285 45 45 LYS HA H 4.52 0.02 1 286 45 45 LYS HB2 H 1.56 0.02 2 287 45 45 LYS HB3 H 1.33 0.02 2 288 45 45 LYS HG2 H 1.28 0.02 2 289 45 45 LYS HG3 H 1.13 0.02 2 290 45 45 LYS HD2 H 1.36 0.02 2 291 45 45 LYS HD3 H 1.36 0.02 2 292 45 45 LYS HE2 H 2.78 0.02 2 293 45 45 LYS HE3 H 2.78 0.02 2 294 45 45 LYS CA C 56.3 0.2 1 295 45 45 LYS CB C 32.9 0.2 1 296 45 45 LYS CG C 25.2 0.2 1 297 45 45 LYS CD C 29.0 0.2 1 298 45 45 LYS CE C 41.8 0.2 1 299 45 45 LYS N N 120.8 0.2 1 300 46 46 VAL H H 8.56 0.02 1 301 46 46 VAL HA H 4.56 0.02 1 302 46 46 VAL HB H 1.80 0.02 1 303 46 46 VAL HG1 H 0.76 0.02 2 304 46 46 VAL HG2 H 0.09 0.02 2 305 46 46 VAL CA C 58.9 0.2 1 306 46 46 VAL CB C 33.9 0.2 1 307 46 46 VAL CG1 C 23.2 0.2 2 308 46 46 VAL CG2 C 19.3 0.2 2 309 46 46 VAL N N 117.6 0.2 1 310 47 47 THR H H 8.13 0.02 1 311 47 47 THR HA H 5.10 0.02 1 312 47 47 THR HB H 3.82 0.02 1 313 47 47 THR HG2 H 1.03 0.02 1 314 47 47 THR CA C 61.6 0.2 1 315 47 47 THR CB C 69.8 0.2 1 316 47 47 THR CG2 C 21.9 0.2 1 317 47 47 THR N N 115.6 0.2 1 318 48 48 VAL H H 9.74 0.02 1 319 48 48 VAL HA H 5.79 0.02 1 320 48 48 VAL HB H 2.45 0.02 1 321 48 48 VAL HG1 H 0.92 0.02 2 322 48 48 VAL HG2 H 1.23 0.02 2 323 48 48 VAL CA C 58.0 0.2 1 324 48 48 VAL CB C 35.5 0.2 1 325 48 48 VAL CG1 C 21.6 0.2 2 326 48 48 VAL CG2 C 19.4 0.2 2 327 48 48 VAL N N 118.1 0.2 1 328 49 49 HIS H H 8.63 0.02 1 329 49 49 HIS HA H 5.81 0.02 1 330 49 49 HIS HB2 H 2.89 0.02 2 331 49 49 HIS HB3 H 2.83 0.02 2 332 49 49 HIS HD1 H 12.47 0.02 1 333 49 49 HIS HD2 H 6.99 0.02 1 334 49 49 HIS HE1 H 7.11 0.02 1 335 49 49 HIS CA C 54.6 0.2 1 336 49 49 HIS CB C 35.6 0.2 1 337 49 49 HIS CD2 C 117.6 0.2 1 338 49 49 HIS CE1 C 136.9 0.2 1 339 49 49 HIS N N 119.0 0.2 1 340 49 49 HIS ND1 N 145.1 0.2 1 341 50 50 TYR H H 9.87 0.02 1 342 50 50 TYR HA H 6.23 0.02 1 343 50 50 TYR HB2 H 2.98 0.02 2 344 50 50 TYR HB3 H 2.82 0.02 2 345 50 50 TYR HD1 H 6.95 0.02 3 346 50 50 TYR HD2 H 6.95 0.02 3 347 50 50 TYR HE1 H 6.58 0.02 3 348 50 50 TYR HE2 H 6.58 0.02 3 349 50 50 TYR CA C 56.0 0.2 1 350 50 50 TYR CB C 43.5 0.2 1 351 50 50 TYR CD1 C 133.2 0.2 3 352 50 50 TYR CD2 C 133.2 0.2 3 353 50 50 TYR CE1 C 117.6 0.2 3 354 50 50 TYR CE2 C 117.6 0.2 3 355 50 50 TYR N N 116.8 0.2 1 356 51 51 ASP H H 8.84 0.02 1 357 51 51 ASP HA H 4.95 0.02 1 358 51 51 ASP HB2 H 2.68 0.02 2 359 51 51 ASP HB3 H 2.50 0.02 2 360 51 51 ASP CA C 54.4 0.2 1 361 51 51 ASP CB C 44.9 0.2 1 362 51 51 ASP N N 120.4 0.2 1 363 52 52 GLY H H 9.13 0.02 1 364 52 52 GLY HA2 H 4.36 0.02 2 365 52 52 GLY HA3 H 2.26 0.02 2 366 52 52 GLY CA C 45.3 0.2 1 367 52 52 GLY N N 112.5 0.2 1 368 53 53 ARG H H 9.37 0.02 1 369 53 53 ARG HA H 5.03 0.02 1 370 53 53 ARG HB2 H 1.63 0.02 2 371 53 53 ARG HB3 H 1.43 0.02 2 372 53 53 ARG HG2 H 1.26 0.02 2 373 53 53 ARG HG3 H 1.26 0.02 2 374 53 53 ARG HD2 H 3.10 0.02 2 375 53 53 ARG HD3 H 2.93 0.02 2 376 53 53 ARG CA C 53.9 0.2 1 377 53 53 ARG CB C 34.8 0.2 1 378 53 53 ARG CG C 27.4 0.2 1 379 53 53 ARG CD C 43.8 0.2 1 380 53 53 ARG N N 125.2 0.2 1 381 54 54 PHE H H 8.77 0.02 1 382 54 54 PHE HA H 4.24 0.02 1 383 54 54 PHE HB2 H 3.55 0.02 2 384 54 54 PHE HB3 H 3.26 0.02 2 385 54 54 PHE HD1 H 7.45 0.02 3 386 54 54 PHE HD2 H 7.45 0.02 3 387 54 54 PHE HE1 H 7.16 0.02 3 388 54 54 PHE HE2 H 7.16 0.02 3 389 54 54 PHE CA C 57.3 0.2 1 390 54 54 PHE CB C 37.7 0.2 1 391 54 54 PHE CD1 C 131.6 0.2 3 392 54 54 PHE CD2 C 131.6 0.2 3 393 54 54 PHE N N 119.4 0.2 1 394 55 55 PRO HA H 4.28 0.02 1 395 55 55 PRO HB2 H 2.48 0.02 2 396 55 55 PRO HB3 H 2.48 0.02 2 397 55 55 PRO HG2 H 2.29 0.02 2 398 55 55 PRO HG3 H 1.77 0.02 2 399 55 55 PRO HD2 H 4.37 0.02 2 400 55 55 PRO HD3 H 4.17 0.02 2 401 55 55 PRO CA C 65.7 0.2 1 402 55 55 PRO CB C 31.8 0.2 1 403 55 55 PRO CG C 28.5 0.2 1 404 55 55 PRO CD C 51.1 0.2 1 405 56 56 ASP H H 7.78 0.02 1 406 56 56 ASP HA H 4.47 0.02 1 407 56 56 ASP HB2 H 3.02 0.02 2 408 56 56 ASP HB3 H 2.66 0.02 2 409 56 56 ASP CA C 53.9 0.2 1 410 56 56 ASP CB C 39.8 0.2 1 411 56 56 ASP N N 113.6 0.2 1 412 57 57 GLY H H 8.44 0.02 1 413 57 57 GLY HA2 H 4.43 0.02 2 414 57 57 GLY HA3 H 4.43 0.02 2 415 57 57 GLY CA C 44.9 0.2 1 416 57 57 GLY N N 108.7 0.2 1 417 58 58 LYS H H 8.23 0.02 1 418 58 58 LYS HA H 4.25 0.02 1 419 58 58 LYS HB2 H 2.10 0.02 2 420 58 58 LYS HB3 H 2.10 0.02 2 421 58 58 LYS HG2 H 1.57 0.02 2 422 58 58 LYS HG3 H 1.47 0.02 2 423 58 58 LYS HD2 H 1.80 0.02 2 424 58 58 LYS HD3 H 1.80 0.02 2 425 58 58 LYS HE2 H 3.07 0.02 2 426 58 58 LYS HE3 H 3.07 0.02 2 427 58 58 LYS CA C 57.5 0.2 1 428 58 58 LYS CB C 32.6 0.2 1 429 58 58 LYS CG C 25.1 0.2 1 430 58 58 LYS CD C 29.0 0.2 1 431 58 58 LYS CE C 42.2 0.2 1 432 58 58 LYS N N 122.8 0.2 1 433 59 59 GLN H H 8.81 0.02 1 434 59 59 GLN HA H 4.45 0.02 1 435 59 59 GLN HG2 H 2.35 0.02 2 436 59 59 GLN HG3 H 2.02 0.02 2 437 59 59 GLN HE21 H 8.00 0.02 2 438 59 59 GLN HE22 H 6.79 0.02 2 439 59 59 GLN CA C 56.3 0.2 1 440 59 59 GLN CB C 30.9 0.2 1 441 59 59 GLN CG C 34.7 0.2 1 442 59 59 GLN N N 125.8 0.2 1 443 59 59 GLN NE2 N 113.5 0.2 1 444 60 60 PHE H H 8.34 0.02 1 445 60 60 PHE HA H 5.10 0.02 1 446 60 60 PHE HB2 H 3.13 0.02 2 447 60 60 PHE HB3 H 2.54 0.02 2 448 60 60 PHE HD1 H 6.36 0.02 3 449 60 60 PHE HD2 H 6.36 0.02 3 450 60 60 PHE CA C 56.5 0.2 1 451 60 60 PHE CB C 40.9 0.2 1 452 60 60 PHE CD1 C 132.2 0.2 3 453 60 60 PHE CD2 C 132.2 0.2 3 454 60 60 PHE N N 121.2 0.2 1 455 61 61 ASP H H 7.03 0.02 1 456 61 61 ASP HB2 H 3.26 0.02 2 457 61 61 ASP HB3 H 2.22 0.02 2 458 61 61 ASP CA C 54.7 0.2 1 459 61 61 ASP CB C 44.2 0.2 1 460 61 61 ASP N N 119.1 0.2 1 461 62 62 SER H H 8.10 0.02 1 462 62 62 SER HB2 H 4.24 0.02 2 463 62 62 SER HB3 H 3.56 0.02 2 464 62 62 SER CA C 57.0 0.2 1 465 62 62 SER CB C 64.8 0.2 1 466 62 62 SER N N 117.4 0.2 1 467 63 63 SER H H 8.07 0.02 1 468 63 63 SER HA H 4.20 0.02 1 469 63 63 SER HB2 H 4.20 0.02 2 470 63 63 SER HB3 H 3.80 0.02 2 471 63 63 SER CA C 61.3 0.2 1 472 63 63 SER CB C 61.3 0.2 1 473 63 63 SER N N 123.6 0.2 1 474 64 64 ARG H H 8.81 0.02 1 475 64 64 ARG HA H 3.62 0.02 1 476 64 64 ARG HB2 H 1.12 0.02 2 477 64 64 ARG HB3 H 0.61 0.02 2 478 64 64 ARG HG2 H 1.48 0.02 2 479 64 64 ARG HG3 H 1.48 0.02 2 480 64 64 ARG HD2 H 3.01 0.02 2 481 64 64 ARG HD3 H 2.83 0.02 2 482 64 64 ARG CA C 59.3 0.2 1 483 64 64 ARG CB C 28.8 0.2 1 484 64 64 ARG CG C 28.8 0.2 1 485 64 64 ARG CD C 42.5 0.2 1 486 64 64 ARG N N 124.0 0.2 1 487 65 65 SER H H 7.80 0.02 1 488 65 65 SER HA H 4.19 0.02 1 489 65 65 SER HB2 H 3.90 0.02 2 490 65 65 SER HB3 H 3.90 0.02 2 491 65 65 SER CA C 60.7 0.2 1 492 65 65 SER CB C 62.7 0.2 1 493 65 65 SER N N 114.6 0.2 1 494 66 66 ARG H H 7.11 0.02 1 495 66 66 ARG HA H 4.42 0.02 1 496 66 66 ARG HB2 H 2.12 0.02 2 497 66 66 ARG HB3 H 2.04 0.02 2 498 66 66 ARG HG2 H 1.87 0.02 2 499 66 66 ARG HG3 H 1.71 0.02 2 500 66 66 ARG HD2 H 3.48 0.02 2 501 66 66 ARG HD3 H 3.30 0.02 2 502 66 66 ARG CA C 57.1 0.2 1 503 66 66 ARG CB C 31.5 0.2 1 504 66 66 ARG CG C 28.9 0.2 1 505 66 66 ARG CD C 43.6 0.2 1 506 66 66 ARG N N 118.0 0.2 1 507 67 67 GLY H H 7.80 0.02 1 508 67 67 GLY HA2 H 4.19 0.02 2 509 67 67 GLY HA3 H 3.87 0.02 2 510 67 67 GLY CA C 45.8 0.2 1 511 67 67 GLY N N 106.7 0.2 1 512 68 68 LYS H H 7.44 0.02 1 513 68 68 LYS HA H 5.01 0.02 1 514 68 68 LYS HB2 H 1.91 0.02 2 515 68 68 LYS HB3 H 1.74 0.02 2 516 68 68 LYS CA C 53.1 0.2 1 517 68 68 LYS CB C 34.9 0.2 1 518 68 68 LYS N N 117.6 0.2 1 519 69 69 PRO HA H 4.06 0.02 1 520 69 69 PRO HB2 H 1.46 0.02 2 521 69 69 PRO HB3 H 1.20 0.02 2 522 69 69 PRO HG2 H 1.72 0.02 2 523 69 69 PRO HG3 H 1.39 0.02 2 524 69 69 PRO HD2 H 3.69 0.02 2 525 69 69 PRO HD3 H 3.62 0.02 2 526 69 69 PRO CA C 62.7 0.2 1 527 69 69 PRO CB C 32.3 0.2 1 528 69 69 PRO CG C 26.4 0.2 1 529 69 69 PRO CD C 50.4 0.2 1 530 70 70 PHE H H 9.18 0.02 1 531 70 70 PHE HA H 5.04 0.02 1 532 70 70 PHE HB2 H 3.59 0.02 2 533 70 70 PHE HB3 H 3.28 0.02 2 534 70 70 PHE HD1 H 7.40 0.02 3 535 70 70 PHE HD2 H 7.40 0.02 3 536 70 70 PHE CA C 57.1 0.2 1 537 70 70 PHE CB C 42.9 0.2 1 538 70 70 PHE CD1 C 131.4 0.2 3 539 70 70 PHE CD2 C 131.4 0.2 3 540 70 70 PHE N N 123.2 0.2 1 541 71 71 GLN H H 8.02 0.02 1 542 71 71 GLN HA H 5.75 0.02 1 543 71 71 GLN HB2 H 1.73 0.02 2 544 71 71 GLN HB3 H 1.66 0.02 2 545 71 71 GLN HG2 H 2.19 0.02 2 546 71 71 GLN HG3 H 2.12 0.02 2 547 71 71 GLN HE21 H 7.19 0.02 2 548 71 71 GLN HE22 H 6.87 0.02 2 549 71 71 GLN CA C 53.3 0.2 1 550 71 71 GLN CB C 32.9 0.2 1 551 71 71 GLN CG C 34.5 0.2 1 552 71 71 GLN N N 126.0 0.2 1 553 71 71 GLN NE2 N 112.7 0.2 1 554 72 72 PHE H H 8.11 0.02 1 555 72 72 PHE HA H 4.70 0.02 1 556 72 72 PHE HB2 H 2.98 0.02 2 557 72 72 PHE HB3 H 2.84 0.02 2 558 72 72 PHE HD1 H 6.92 0.02 3 559 72 72 PHE HD2 H 6.92 0.02 3 560 72 72 PHE CA C 55.5 0.2 1 561 72 72 PHE CB C 40.9 0.2 1 562 72 72 PHE CD1 C 131.1 0.2 3 563 72 72 PHE CD2 C 131.1 0.2 3 564 72 72 PHE N N 116.8 0.2 1 565 73 73 THR H H 9.08 0.02 1 566 73 73 THR HA H 3.96 0.02 1 567 73 73 THR HB H 3.87 0.02 1 568 73 73 THR HG2 H 0.84 0.02 1 569 73 73 THR CA C 62.6 0.2 1 570 73 73 THR CB C 67.5 0.2 1 571 73 73 THR CG2 C 21.4 0.2 1 572 73 73 THR N N 118.8 0.2 1 573 74 74 LEU H H 8.22 0.02 1 574 74 74 LEU HA H 4.14 0.02 1 575 74 74 LEU HB2 H 2.08 0.02 2 576 74 74 LEU HB3 H 1.12 0.02 2 577 74 74 LEU HG H 1.63 0.02 1 578 74 74 LEU HD1 H 1.09 0.02 2 579 74 74 LEU HD2 H 0.63 0.02 2 580 74 74 LEU CA C 56.8 0.2 1 581 74 74 LEU CB C 41.8 0.2 1 582 74 74 LEU CG C 26.1 0.2 1 583 74 74 LEU CD1 C 24.6 0.2 2 584 74 74 LEU CD2 C 26.2 0.2 2 585 74 74 LEU N N 132.5 0.2 1 586 75 75 GLY H H 9.85 0.02 1 587 75 75 GLY HA2 H 4.11 0.02 2 588 75 75 GLY HA3 H 3.66 0.02 2 589 75 75 GLY CA C 46.2 0.2 1 590 75 75 GLY N N 118.1 0.2 1 591 76 76 ALA H H 7.55 0.02 1 592 76 76 ALA HA H 4.50 0.02 1 593 76 76 ALA HB H 1.40 0.02 1 594 76 76 ALA CA C 51.9 0.2 1 595 76 76 ALA CB C 20.2 0.2 1 596 76 76 ALA N N 120.6 0.2 1 597 77 77 GLY H H 8.79 0.02 1 598 77 77 GLY HA2 H 4.04 0.02 2 599 77 77 GLY HA3 H 4.04 0.02 2 600 77 77 GLY CA C 46.4 0.2 1 601 77 77 GLY N N 110.5 0.2 1 602 78 78 GLU H H 9.24 0.02 1 603 78 78 GLU HA H 4.15 0.02 1 604 78 78 GLU HB2 H 2.14 0.02 2 605 78 78 GLU HB3 H 2.14 0.02 2 606 78 78 GLU HG2 H 2.35 0.02 2 607 78 78 GLU HG3 H 2.27 0.02 2 608 78 78 GLU CA C 57.2 0.2 1 609 78 78 GLU CB C 30.9 0.2 1 610 78 78 GLU CG C 36.6 0.2 1 611 78 78 GLU N N 119.4 0.2 1 612 79 79 VAL H H 6.76 0.02 1 613 79 79 VAL HA H 4.22 0.02 1 614 79 79 VAL HB H 1.40 0.02 1 615 79 79 VAL HG1 H 0.16 0.02 2 616 79 79 VAL HG2 H -0.03 0.02 2 617 79 79 VAL CA C 57.3 0.2 1 618 79 79 VAL CB C 35.4 0.2 1 619 79 79 VAL CG1 C 18.3 0.2 2 620 79 79 VAL CG2 C 21.2 0.2 2 621 79 79 VAL N N 108.6 0.2 1 622 80 80 ILE H H 7.30 0.02 1 623 80 80 ILE HA H 3.80 0.02 1 624 80 80 ILE HB H 2.02 0.02 1 625 80 80 ILE HG12 H 0.95 0.02 2 626 80 80 ILE HG13 H 0.47 0.02 2 627 80 80 ILE HG2 H -0.01 0.02 1 628 80 80 ILE HD1 H 0.51 0.02 1 629 80 80 ILE CA C 61.8 0.2 1 630 80 80 ILE CB C 38.0 0.2 1 631 80 80 ILE CG1 C 24.8 0.2 1 632 80 80 ILE CG2 C 17.3 0.2 1 633 80 80 ILE CD1 C 14.1 0.2 1 634 80 80 ILE N N 111.8 0.2 1 635 81 81 LYS H H 8.88 0.02 1 636 81 81 LYS HA H 4.16 0.02 1 637 81 81 LYS HB2 H 1.71 0.02 2 638 81 81 LYS HB3 H 1.71 0.02 2 639 81 81 LYS HG2 H 1.55 0.02 2 640 81 81 LYS HG3 H 1.47 0.02 2 641 81 81 LYS HD2 H 1.72 0.02 2 642 81 81 LYS HD3 H 1.72 0.02 2 643 81 81 LYS HE2 H 2.99 0.02 2 644 81 81 LYS HE3 H 2.99 0.02 2 645 81 81 LYS CA C 59.7 0.2 1 646 81 81 LYS CB C 32.8 0.2 1 647 81 81 LYS CG C 24.9 0.2 1 648 81 81 LYS CD C 28.9 0.2 1 649 81 81 LYS CE C 41.8 0.2 1 650 81 81 LYS N N 124.7 0.2 1 651 82 82 GLY H H 9.58 0.02 1 652 82 82 GLY HA2 H 3.76 0.02 2 653 82 82 GLY HA3 H 3.51 0.02 2 654 82 82 GLY CA C 47.3 0.2 1 655 82 82 GLY N N 101.7 0.2 1 656 83 83 TRP H H 7.45 0.02 1 657 83 83 TRP HA H 4.01 0.02 1 658 83 83 TRP HB2 H 2.72 0.02 2 659 83 83 TRP HB3 H 2.72 0.02 2 660 83 83 TRP HD1 H 6.17 0.02 1 661 83 83 TRP HE3 H 6.54 0.02 1 662 83 83 TRP HZ2 H 6.16 0.02 1 663 83 83 TRP HZ3 H 6.50 0.02 1 664 83 83 TRP HH2 H 5.65 0.02 1 665 83 83 TRP CA C 59.3 0.2 1 666 83 83 TRP CB C 29.1 0.2 1 667 83 83 TRP CD1 C 120.4 0.2 1 668 83 83 TRP CE3 C 119.6 0.2 1 669 83 83 TRP CZ2 C 112.0 0.2 1 670 83 83 TRP CZ3 C 121.0 0.2 1 671 83 83 TRP CH2 C 124.1 0.2 1 672 83 83 TRP N N 119.3 0.2 1 673 84 84 ASP H H 7.12 0.02 1 674 84 84 ASP HA H 4.00 0.02 1 675 84 84 ASP HB2 H 2.71 0.02 2 676 84 84 ASP HB3 H 2.54 0.02 2 677 84 84 ASP CA C 58.2 0.2 1 678 84 84 ASP CB C 41.0 0.2 1 679 84 84 ASP N N 120.9 0.2 1 680 85 85 GLN H H 8.36 0.02 1 681 85 85 GLN HA H 4.00 0.02 1 682 85 85 GLN HB2 H 1.98 0.02 2 683 85 85 GLN HB3 H 1.88 0.02 2 684 85 85 GLN HG2 H 2.51 0.02 2 685 85 85 GLN HG3 H 2.26 0.02 2 686 85 85 GLN HE21 H 7.40 0.02 2 687 85 85 GLN HE22 H 6.67 0.02 2 688 85 85 GLN CA C 58.2 0.2 1 689 85 85 GLN CB C 28.9 0.2 1 690 85 85 GLN CG C 33.9 0.2 1 691 85 85 GLN N N 114.5 0.2 1 692 85 85 GLN NE2 N 108.8 0.2 1 693 86 86 GLY H H 7.96 0.02 1 694 86 86 GLY HA2 H 3.66 0.02 2 695 86 86 GLY HA3 H 2.91 0.02 2 696 86 86 GLY CA C 47.7 0.2 1 697 86 86 GLY N N 106.3 0.2 1 698 87 87 VAL H H 9.09 0.02 1 699 87 87 VAL HA H 3.63 0.02 1 700 87 87 VAL HB H 2.19 0.02 1 701 87 87 VAL HG1 H 0.94 0.02 2 702 87 87 VAL HG2 H 0.95 0.02 2 703 87 87 VAL CA C 66.4 0.2 1 704 87 87 VAL CB C 30.3 0.2 1 705 87 87 VAL CG1 C 23.7 0.2 2 706 87 87 VAL CG2 C 22.0 0.2 2 707 87 87 VAL N N 125.3 0.2 1 708 88 88 ALA H H 6.75 0.02 1 709 88 88 ALA HA H 3.99 0.02 1 710 88 88 ALA HB H 1.56 0.02 1 711 88 88 ALA CA C 54.3 0.2 1 712 88 88 ALA CB C 18.6 0.2 1 713 88 88 ALA N N 116.5 0.2 1 714 89 89 THR H H 7.40 0.02 1 715 89 89 THR HA H 4.52 0.02 1 716 89 89 THR HB H 4.62 0.02 1 717 89 89 THR HG2 H 1.47 0.02 1 718 89 89 THR CA C 62.3 0.2 1 719 89 89 THR CB C 71.1 0.2 1 720 89 89 THR CG2 C 20.8 0.2 1 721 89 89 THR N N 105.5 0.2 1 722 90 90 MET H H 7.55 0.02 1 723 90 90 MET HB2 H 2.13 0.02 2 724 90 90 MET HB3 H 2.13 0.02 2 725 90 90 MET HG2 H 2.99 0.02 2 726 90 90 MET HG3 H 2.59 0.02 2 727 90 90 MET HE H 2.18 0.02 1 728 90 90 MET CA C 56.2 0.2 1 729 90 90 MET CB C 36.8 0.2 1 730 90 90 MET CG C 32.7 0.2 1 731 90 90 MET CE C 18.8 0.2 1 732 90 90 MET N N 122.4 0.2 1 733 91 91 THR H H 7.35 0.02 1 734 91 91 THR HA H 5.12 0.02 1 735 91 91 THR HB H 4.38 0.02 1 736 91 91 THR HG2 H 0.97 0.02 1 737 91 91 THR CA C 59.8 0.2 1 738 91 91 THR CB C 71.9 0.2 1 739 91 91 THR CG2 C 21.7 0.2 1 740 91 91 THR N N 105.2 0.2 1 741 92 92 LEU H H 8.18 0.02 1 742 92 92 LEU HA H 3.60 0.02 1 743 92 92 LEU HB2 H 2.01 0.02 2 744 92 92 LEU HB3 H 1.13 0.02 2 745 92 92 LEU HG H 0.97 0.02 1 746 92 92 LEU HD1 H 0.83 0.02 2 747 92 92 LEU HD2 H 0.67 0.02 2 748 92 92 LEU CA C 58.1 0.2 1 749 92 92 LEU CB C 43.4 0.2 1 750 92 92 LEU CG C 26.2 0.2 1 751 92 92 LEU CD1 C 23.6 0.2 2 752 92 92 LEU CD2 C 23.2 0.2 2 753 92 92 LEU N N 121.2 0.2 1 754 93 93 GLY H H 8.49 0.02 1 755 93 93 GLY HA2 H 4.43 0.02 2 756 93 93 GLY HA3 H 3.92 0.02 2 757 93 93 GLY CA C 44.7 0.2 1 758 93 93 GLY N N 115.8 0.2 1 759 94 94 GLU H H 8.65 0.02 1 760 94 94 GLU HA H 4.29 0.02 1 761 94 94 GLU HB2 H 2.40 0.02 2 762 94 94 GLU HB3 H 2.18 0.02 2 763 94 94 GLU HG2 H 2.61 0.02 2 764 94 94 GLU HG3 H 1.93 0.02 2 765 94 94 GLU CA C 56.1 0.2 1 766 94 94 GLU CB C 33.5 0.2 1 767 94 94 GLU CG C 37.5 0.2 1 768 94 94 GLU N N 123.7 0.2 1 769 95 95 LYS H H 8.95 0.02 1 770 95 95 LYS HA H 5.56 0.02 1 771 95 95 LYS HB2 H 1.81 0.02 2 772 95 95 LYS HB3 H 1.65 0.02 2 773 95 95 LYS HG2 H 1.31 0.02 2 774 95 95 LYS HG3 H 1.16 0.02 2 775 95 95 LYS HD2 H 1.63 0.02 2 776 95 95 LYS HD3 H 1.63 0.02 2 777 95 95 LYS HE2 H 2.78 0.02 2 778 95 95 LYS HE3 H 2.78 0.02 2 779 95 95 LYS CA C 54.6 0.2 1 780 95 95 LYS CB C 35.3 0.2 1 781 95 95 LYS CG C 25.6 0.2 1 782 95 95 LYS CD C 29.2 0.2 1 783 95 95 LYS CE C 41.5 0.2 1 784 95 95 LYS N N 124.2 0.2 1 785 96 96 ALA H H 9.53 0.02 1 786 96 96 ALA HA H 4.99 0.02 1 787 96 96 ALA HB H 1.09 0.02 1 788 96 96 ALA CA C 50.5 0.2 1 789 96 96 ALA CB C 23.9 0.2 1 790 96 96 ALA N N 129.1 0.2 1 791 97 97 LEU H H 9.10 0.02 1 792 97 97 LEU HA H 5.18 0.02 1 793 97 97 LEU HB2 H 1.86 0.02 2 794 97 97 LEU HB3 H 1.24 0.02 2 795 97 97 LEU HG H 1.37 0.02 1 796 97 97 LEU HD1 H 0.83 0.02 2 797 97 97 LEU HD2 H 0.88 0.02 2 798 97 97 LEU CA C 53.0 0.2 1 799 97 97 LEU CB C 45.8 0.2 1 800 97 97 LEU CG C 27.1 0.2 1 801 97 97 LEU CD1 C 25.4 0.2 2 802 97 97 LEU CD2 C 24.8 0.2 2 803 97 97 LEU N N 122.2 0.2 1 804 98 98 PHE H H 9.94 0.02 1 805 98 98 PHE HA H 5.70 0.02 1 806 98 98 PHE HB2 H 2.99 0.02 2 807 98 98 PHE HB3 H 2.99 0.02 2 808 98 98 PHE HD1 H 7.15 0.02 3 809 98 98 PHE HD2 H 7.15 0.02 3 810 98 98 PHE CA C 56.5 0.2 1 811 98 98 PHE CB C 42.3 0.2 1 812 98 98 PHE N N 125.8 0.2 1 813 99 99 THR H H 9.10 0.02 1 814 99 99 THR HB H 4.14 0.02 1 815 99 99 THR HG2 H 1.12 0.02 1 816 99 99 THR CA C 63.5 0.2 1 817 99 99 THR CB C 68.6 0.2 1 818 99 99 THR CG2 C 21.4 0.2 1 819 99 99 THR N N 121.6 0.2 1 820 100 100 ILE H H 9.88 0.02 1 821 100 100 ILE HB H 2.12 0.02 1 822 100 100 ILE HG2 H 0.96 0.02 1 823 100 100 ILE HD1 H 0.74 0.02 1 824 100 100 ILE CA C 58.7 0.2 1 825 100 100 ILE CB C 39.4 0.2 1 826 100 100 ILE CG2 C 19.7 0.2 1 827 100 100 ILE CD1 C 14.0 0.2 1 828 100 100 ILE N N 127.4 0.2 1 829 101 101 PRO CA C 62.2 0.2 1 830 101 101 PRO CB C 32.5 0.2 1 831 101 101 PRO CG C 27.0 0.2 1 832 101 101 PRO CD C 51.1 0.2 1 833 102 102 TYR H H 8.45 0.02 1 834 102 102 TYR HA H 4.47 0.02 1 835 102 102 TYR HB2 H 2.89 0.02 2 836 102 102 TYR HB3 H 2.80 0.02 2 837 102 102 TYR HD1 H 6.80 0.02 3 838 102 102 TYR HD2 H 6.80 0.02 3 839 102 102 TYR HE1 H 6.83 0.02 3 840 102 102 TYR HE2 H 6.83 0.02 3 841 102 102 TYR CA C 61.1 0.2 1 842 102 102 TYR CB C 37.0 0.2 1 843 102 102 TYR CD1 C 132.4 0.2 3 844 102 102 TYR CD2 C 132.4 0.2 3 845 102 102 TYR CE1 C 118.1 0.2 3 846 102 102 TYR CE2 C 118.1 0.2 3 847 102 102 TYR N N 118.1 0.2 1 848 103 103 GLN H H 9.08 0.02 1 849 103 103 GLN HA H 4.05 0.02 1 850 103 103 GLN HB2 H 1.94 0.02 2 851 103 103 GLN HB3 H 1.55 0.02 2 852 103 103 GLN HG2 H 2.51 0.02 2 853 103 103 GLN HG3 H 2.12 0.02 2 854 103 103 GLN CA C 59.5 0.2 1 855 103 103 GLN CB C 27.3 0.2 1 856 103 103 GLN CG C 33.6 0.2 1 857 103 103 GLN N N 123.8 0.2 1 858 104 104 LEU H H 7.79 0.02 1 859 104 104 LEU HA H 4.52 0.02 1 860 104 104 LEU HB2 H 1.41 0.02 2 861 104 104 LEU HB3 H 1.41 0.02 2 862 104 104 LEU HG H 0.85 0.02 1 863 104 104 LEU HD1 H 0.78 0.02 2 864 104 104 LEU HD2 H 0.78 0.02 2 865 104 104 LEU CA C 53.1 0.2 1 866 104 104 LEU CB C 43.4 0.2 1 867 104 104 LEU CG C 26.4 0.2 1 868 104 104 LEU CD1 C 23.0 0.2 2 869 104 104 LEU CD2 C 23.0 0.2 2 870 104 104 LEU N N 116.8 0.2 1 871 105 105 ALA H H 7.78 0.02 1 872 105 105 ALA HA H 4.47 0.02 1 873 105 105 ALA HB H 1.37 0.02 1 874 105 105 ALA CA C 51.0 0.2 1 875 105 105 ALA CB C 18.9 0.2 1 876 105 105 ALA N N 125.4 0.2 1 877 106 106 TYR H H 9.43 0.02 1 878 106 106 TYR HA H 4.61 0.02 1 879 106 106 TYR HB2 H 3.26 0.02 2 880 106 106 TYR HB3 H 2.75 0.02 2 881 106 106 TYR HD1 H 6.43 0.02 3 882 106 106 TYR HD2 H 6.43 0.02 3 883 106 106 TYR HE1 H 7.10 0.02 3 884 106 106 TYR HE2 H 7.10 0.02 3 885 106 106 TYR CA C 59.3 0.2 1 886 106 106 TYR CB C 37.4 0.2 1 887 106 106 TYR CD1 C 131.2 0.2 3 888 106 106 TYR CD2 C 131.2 0.2 3 889 106 106 TYR CE1 C 117.7 0.2 3 890 106 106 TYR CE2 C 117.7 0.2 3 891 106 106 TYR N N 122.0 0.2 1 892 107 107 GLY H H 8.49 0.02 1 893 107 107 GLY HA2 H 4.37 0.02 2 894 107 107 GLY HA3 H 3.99 0.02 2 895 107 107 GLY CA C 46.5 0.2 1 896 107 107 GLY N N 105.5 0.2 1 897 108 108 GLU HA H 3.51 0.02 1 898 108 108 GLU HB2 H 2.03 0.02 2 899 108 108 GLU HB3 H 2.03 0.02 2 900 108 108 GLU HG2 H 2.33 0.02 2 901 108 108 GLU HG3 H 2.18 0.02 2 902 108 108 GLU CA C 59.5 0.2 1 903 108 108 GLU CB C 29.6 0.2 1 904 108 108 GLU CG C 36.9 0.2 1 905 109 109 ARG H H 8.84 0.02 1 906 109 109 ARG HA H 4.18 0.02 1 907 109 109 ARG HB2 H 1.95 0.02 2 908 109 109 ARG HB3 H 1.95 0.02 2 909 109 109 ARG HG2 H 1.76 0.02 2 910 109 109 ARG HG3 H 1.62 0.02 2 911 109 109 ARG HD2 H 3.24 0.02 2 912 109 109 ARG HD3 H 3.24 0.02 2 913 109 109 ARG CA C 57.4 0.2 1 914 109 109 ARG CB C 30.7 0.2 1 915 109 109 ARG CG C 27.6 0.2 1 916 109 109 ARG CD C 43.2 0.2 1 917 109 109 ARG N N 115.9 0.2 1 918 110 110 GLY H H 7.14 0.02 1 919 110 110 GLY HA2 H 3.63 0.02 2 920 110 110 GLY HA3 H 3.50 0.02 2 921 110 110 GLY CA C 44.8 0.2 1 922 110 110 GLY N N 103.0 0.2 1 923 111 111 TYR H H 8.57 0.02 1 924 111 111 TYR HB2 H 2.45 0.02 2 925 111 111 TYR HB3 H 2.13 0.02 2 926 111 111 TYR HD1 H 6.80 0.02 3 927 111 111 TYR HD2 H 6.80 0.02 3 928 111 111 TYR HE1 H 6.78 0.02 3 929 111 111 TYR HE2 H 6.78 0.02 3 930 111 111 TYR CA C 54.5 0.2 1 931 111 111 TYR CB C 38.6 0.2 1 932 111 111 TYR CD1 C 132.4 0.2 3 933 111 111 TYR CD2 C 132.4 0.2 3 934 111 111 TYR CE1 C 118.1 0.2 3 935 111 111 TYR CE2 C 118.1 0.2 3 936 111 111 TYR N N 119.7 0.2 1 937 113 113 PRO CA C 63.8 0.2 1 938 113 113 PRO CB C 34.3 0.2 1 939 114 114 VAL H H 7.87 0.02 1 940 114 114 VAL HA H 3.85 0.02 1 941 114 114 VAL HB H 2.04 0.02 1 942 114 114 VAL HG1 H 1.04 0.02 2 943 114 114 VAL HG2 H 1.04 0.02 2 944 114 114 VAL CA C 65.6 0.2 1 945 114 114 VAL CB C 33.0 0.2 1 946 114 114 VAL CG1 C 21.4 0.2 2 947 114 114 VAL CG2 C 21.4 0.2 2 948 114 114 VAL N N 122.9 0.2 1 949 115 115 ILE H H 7.55 0.02 1 950 115 115 ILE HB H 1.64 0.02 1 951 115 115 ILE HG2 H 0.95 0.02 1 952 115 115 ILE HD1 H 0.05 0.02 1 953 115 115 ILE CA C 56.3 0.2 1 954 115 115 ILE CB C 37.7 0.2 1 955 115 115 ILE CG2 C 17.4 0.2 1 956 115 115 ILE CD1 C 10.3 0.2 1 957 115 115 ILE N N 118.1 0.2 1 958 117 117 PRO HA H 3.62 0.02 1 959 117 117 PRO HB2 H 2.53 0.02 2 960 117 117 PRO HB3 H 1.61 0.02 2 961 117 117 PRO HG2 H 1.99 0.02 2 962 117 117 PRO HG3 H 1.80 0.02 2 963 117 117 PRO HD2 H 3.68 0.02 2 964 117 117 PRO HD3 H 3.47 0.02 2 965 117 117 PRO CA C 63.4 0.2 1 966 117 117 PRO CB C 32.8 0.2 1 967 117 117 PRO CG C 27.6 0.2 1 968 117 117 PRO CD C 51.0 0.2 1 969 118 118 LYS H H 7.33 0.02 1 970 118 118 LYS HA H 2.58 0.02 1 971 118 118 LYS HB2 H 1.50 0.02 2 972 118 118 LYS HB3 H 1.46 0.02 2 973 118 118 LYS HG2 H 1.06 0.02 2 974 118 118 LYS HG3 H -0.09 0.02 2 975 118 118 LYS HD2 H 1.50 0.02 2 976 118 118 LYS HD3 H 1.40 0.02 2 977 118 118 LYS HE2 H 2.78 0.02 2 978 118 118 LYS HE3 H 2.78 0.02 2 979 118 118 LYS CA C 57.9 0.2 1 980 118 118 LYS CB C 29.7 0.2 1 981 118 118 LYS CG C 26.5 0.2 1 982 118 118 LYS CD C 29.7 0.2 1 983 118 118 LYS CE C 42.0 0.2 1 984 118 118 LYS N N 115.1 0.2 1 985 119 119 ALA H H 7.90 0.02 1 986 119 119 ALA HA H 4.45 0.02 1 987 119 119 ALA HB H 1.30 0.02 1 988 119 119 ALA CA C 52.7 0.2 1 989 119 119 ALA CB C 20.1 0.2 1 990 119 119 ALA N N 121.9 0.2 1 991 120 120 THR H H 8.17 0.02 1 992 120 120 THR HB H 4.04 0.02 1 993 120 120 THR HG2 H 1.15 0.02 1 994 120 120 THR CA C 63.1 0.2 1 995 120 120 THR CB C 69.8 0.2 1 996 120 120 THR CG2 C 22.1 0.2 1 997 120 120 THR N N 121.8 0.2 1 998 121 121 LEU H H 8.64 0.02 1 999 121 121 LEU HB2 H 1.75 0.02 2 1000 121 121 LEU HB3 H 1.42 0.02 2 1001 121 121 LEU HG H 1.15 0.02 1 1002 121 121 LEU HD1 H 0.68 0.02 2 1003 121 121 LEU HD2 H 0.68 0.02 2 1004 121 121 LEU CA C 53.1 0.2 1 1005 121 121 LEU CB C 46.3 0.2 1 1006 121 121 LEU CG C 26.8 0.2 1 1007 121 121 LEU CD1 C 22.9 0.2 2 1008 121 121 LEU CD2 C 22.9 0.2 2 1009 121 121 LEU N N 124.2 0.2 1 1010 122 122 VAL H H 8.86 0.02 1 1011 122 122 VAL HA H 5.29 0.02 1 1012 122 122 VAL HB H 1.83 0.02 1 1013 122 122 VAL HG1 H 0.88 0.02 2 1014 122 122 VAL HG2 H 0.88 0.02 2 1015 122 122 VAL CA C 60.7 0.2 1 1016 122 122 VAL CB C 33.3 0.2 1 1017 122 122 VAL CG1 C 20.7 0.2 2 1018 122 122 VAL CG2 C 20.7 0.2 2 1019 122 122 VAL N N 122.2 0.2 1 1020 123 123 PHE H H 9.62 0.02 1 1021 123 123 PHE HA H 5.40 0.02 1 1022 123 123 PHE HB2 H 2.85 0.02 2 1023 123 123 PHE HB3 H 2.80 0.02 2 1024 123 123 PHE HD1 H 7.14 0.02 3 1025 123 123 PHE HD2 H 7.14 0.02 3 1026 123 123 PHE CA C 55.4 0.2 1 1027 123 123 PHE CB C 44.0 0.2 1 1028 123 123 PHE N N 122.9 0.2 1 1029 124 124 GLU H H 9.18 0.02 1 1030 124 124 GLU HA H 5.90 0.02 1 1031 124 124 GLU HB2 H 2.13 0.02 2 1032 124 124 GLU HB3 H 2.01 0.02 2 1033 124 124 GLU HG2 H 2.11 0.02 2 1034 124 124 GLU HG3 H 1.93 0.02 2 1035 124 124 GLU CA C 55.6 0.2 1 1036 124 124 GLU CB C 31.8 0.2 1 1037 124 124 GLU CG C 37.6 0.2 1 1038 124 124 GLU N N 125.5 0.2 1 1039 125 125 VAL H H 9.60 0.02 1 1040 125 125 VAL HB H 1.98 0.02 1 1041 125 125 VAL HG1 H 0.87 0.02 2 1042 125 125 VAL HG2 H 0.71 0.02 2 1043 125 125 VAL CA C 61.3 0.2 1 1044 125 125 VAL CB C 35.8 0.2 1 1045 125 125 VAL CG1 C 21.1 0.2 2 1046 125 125 VAL CG2 C 21.8 0.2 2 1047 125 125 VAL N N 128.1 0.2 1 1048 126 126 GLU H H 9.42 0.02 1 1049 126 126 GLU HA H 5.63 0.02 1 1050 126 126 GLU HB2 H 2.08 0.02 2 1051 126 126 GLU HB3 H 1.63 0.02 2 1052 126 126 GLU HG2 H 2.08 0.02 2 1053 126 126 GLU HG3 H 1.90 0.02 2 1054 126 126 GLU CA C 53.5 0.2 1 1055 126 126 GLU CB C 34.0 0.2 1 1056 126 126 GLU CG C 35.6 0.2 1 1057 126 126 GLU N N 128.5 0.2 1 1058 127 127 LEU H H 8.72 0.02 1 1059 127 127 LEU HB2 H 2.31 0.02 2 1060 127 127 LEU HB3 H 1.41 0.02 2 1061 127 127 LEU HG H 0.66 0.02 1 1062 127 127 LEU HD1 H 0.89 0.02 2 1063 127 127 LEU HD2 H 0.89 0.02 2 1064 127 127 LEU CA C 55.1 0.2 1 1065 127 127 LEU CB C 41.4 0.2 1 1066 127 127 LEU CG C 25.8 0.2 1 1067 127 127 LEU CD1 C 23.8 0.2 2 1068 127 127 LEU CD2 C 23.8 0.2 2 1069 127 127 LEU N N 127.9 0.2 1 1070 128 128 LEU H H 8.69 0.02 1 1071 128 128 LEU HA H 4.40 0.02 1 1072 128 128 LEU HB2 H 1.51 0.02 2 1073 128 128 LEU HB3 H 1.30 0.02 2 1074 128 128 LEU HG H 0.73 0.02 1 1075 128 128 LEU HD1 H 0.82 0.02 2 1076 128 128 LEU HD2 H 0.82 0.02 2 1077 128 128 LEU CA C 55.9 0.2 1 1078 128 128 LEU CB C 43.7 0.2 1 1079 128 128 LEU CG C 26.6 0.2 1 1080 128 128 LEU CD1 C 22.5 0.2 2 1081 128 128 LEU CD2 C 22.5 0.2 2 1082 128 128 LEU N N 128.7 0.2 1 1083 129 129 ALA H H 7.81 0.02 1 1084 129 129 ALA HA H 4.46 0.02 1 1085 129 129 ALA HB H 1.34 0.02 1 1086 129 129 ALA CA C 52.8 0.2 1 1087 129 129 ALA CB C 21.1 0.2 1 1088 129 129 ALA N N 118.6 0.2 1 1089 130 130 VAL H H 7.93 0.02 1 1090 130 130 VAL HA H 4.45 0.02 1 1091 130 130 VAL HB H 2.36 0.02 1 1092 130 130 VAL HG1 H 0.67 0.02 2 1093 130 130 VAL HG2 H 0.67 0.02 2 1094 130 130 VAL CA C 61.0 0.2 1 1095 130 130 VAL CB C 33.7 0.2 1 1096 130 130 VAL CG1 C 19.4 0.2 2 1097 130 130 VAL CG2 C 19.4 0.2 2 1098 130 130 VAL N N 117.4 0.2 1 stop_ save_