data_17249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase ; _BMRB_accession_number 17249 _BMRB_flat_file_name bmr17249.str _Entry_type original _Submission_date 2010-10-12 _Accession_date 2010-10-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Subunit from AlgE6' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Andressen Trygve . . 2 Buchinger Edith . . 3 Skjaak-Break Gudmund . . 4 Valla Svein . . 5 Aachmann Finn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 606 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-01-18 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 resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21188559 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Andreassen Trygve . . 2 Buchinger Edith . . 3 Skjak-Braek Gudmund . . 4 Valla Svein . . 5 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 147 _Page_last 149 _Year 2011 _Details . loop_ _Keyword 'A and R-module' Alginate 'Mannuronan C5-Epimerases' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name R2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label R2 $AlgE6R2 'calcium ion' $CA 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_AlgE6R2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AlgE6R2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; DPSAEAQPIVGSDLDDQLHG TLLGEEISGGGGADQLYGYG GGDLLDGGAGRDRLTGGEGA DTFRFALREDSQRSAAGTFS DLILDFDPTQDKLDVSALGF TGLGNGYAGTLAVSVSDDGT RTYLKSYETDAEGRSFEVSL QGNHAAALSADNILFATPVP V ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 PRO 3 SER 4 ALA 5 GLU 6 ALA 7 GLN 8 PRO 9 ILE 10 VAL 11 GLY 12 SER 13 ASP 14 LEU 15 ASP 16 ASP 17 GLN 18 LEU 19 HIS 20 GLY 21 THR 22 LEU 23 LEU 24 GLY 25 GLU 26 GLU 27 ILE 28 SER 29 GLY 30 GLY 31 GLY 32 GLY 33 ALA 34 ASP 35 GLN 36 LEU 37 TYR 38 GLY 39 TYR 40 GLY 41 GLY 42 GLY 43 ASP 44 LEU 45 LEU 46 ASP 47 GLY 48 GLY 49 ALA 50 GLY 51 ARG 52 ASP 53 ARG 54 LEU 55 THR 56 GLY 57 GLY 58 GLU 59 GLY 60 ALA 61 ASP 62 THR 63 PHE 64 ARG 65 PHE 66 ALA 67 LEU 68 ARG 69 GLU 70 ASP 71 SER 72 GLN 73 ARG 74 SER 75 ALA 76 ALA 77 GLY 78 THR 79 PHE 80 SER 81 ASP 82 LEU 83 ILE 84 LEU 85 ASP 86 PHE 87 ASP 88 PRO 89 THR 90 GLN 91 ASP 92 LYS 93 LEU 94 ASP 95 VAL 96 SER 97 ALA 98 LEU 99 GLY 100 PHE 101 THR 102 GLY 103 LEU 104 GLY 105 ASN 106 GLY 107 TYR 108 ALA 109 GLY 110 THR 111 LEU 112 ALA 113 VAL 114 SER 115 VAL 116 SER 117 ASP 118 ASP 119 GLY 120 THR 121 ARG 122 THR 123 TYR 124 LEU 125 LYS 126 SER 127 TYR 128 GLU 129 THR 130 ASP 131 ALA 132 GLU 133 GLY 134 ARG 135 SER 136 PHE 137 GLU 138 VAL 139 SER 140 LEU 141 GLN 142 GLY 143 ASN 144 HIS 145 ALA 146 ALA 147 ALA 148 LEU 149 SER 150 ALA 151 ASP 152 ASN 153 ILE 154 LEU 155 PHE 156 ALA 157 THR 158 PRO 159 VAL 160 PRO 161 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $AlgE6R2 'Azotobacter vinelandii' 354 Bacteria . Azotobacter vinelandii 'The gene encoding for AlgE6R2 have been re-designed and synthesized de novo' 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 _Details $AlgE6R2 'recombinant technology' . Escherichia coli ER2566 pFA12 'The Synthetic gene was inserted into the pTYB12 (IMPACT-CN, New England Biolabs) resulting in pFA12' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AlgE6R2_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AlgE6R2 . mM 1 1.2 '[U-98% 13C; U-98% 15N]' $CA 25 mM . . 'natural abundance' HEPES 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_AlgE6R2_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AlgE6R2 . mM 1 1.2 '[U-98% 13C; U-98% 15N]' $CA 25 mM . . 'natural abundance' HEPES 20 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_nonAlgE6R2_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AlgE6R2 . mM 1 1.2 'natural abundance' $CA 25 mM . . 'natural abundance' HEPES 20 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_cara _Saveframe_category software _Name CARA _Version '1.4.1; 1.5.2' loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $AlgE6R2_H2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $AlgE6R2_D2O save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $AlgE6R2_H2O save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $AlgE6R2_H2O save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $nonAlgE6R2_D2O save_ save_2D_1H-1H_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $nonAlgE6R2_D2O save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $nonAlgE6R2_D2O save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $AlgE6R2_H2O save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $AlgE6R2_H2O save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $AlgE6R2_H2O save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $AlgE6R2_D2O save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $AlgE6R2_D2O save_ save_3D_HBHANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $AlgE6R2_H2O save_ save_3D_CBCANH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $AlgE6R2_H2O save_ save_3D_HN(CA)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $AlgE6R2_H2O 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' 0.165 0.05 M pH 6.9 0.1 pH pressure 1 . atm temperature 298 0.1 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_ _Software_label $cara stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '3D HNCA' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CBCANH' '3D HN(CA)CO' stop_ loop_ _Sample_label $AlgE6R2_H2O $AlgE6R2_D2O $nonAlgE6R2_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name R2 _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 2 2 PRO HA H 4.45 0.02 1 2 2 2 PRO HB2 H 2.00 0.02 2 3 2 2 PRO HB3 H 1.96 0.02 2 4 2 2 PRO HD2 H 3.88 0.02 2 5 2 2 PRO HD3 H 3.67 0.02 2 6 2 2 PRO HG2 H 2.34 0.02 2 7 2 2 PRO HG3 H 2.19 0.02 2 8 2 2 PRO C C 177.3 0.3 1 9 2 2 PRO CA C 63.9 0.3 1 10 2 2 PRO CB C 32.1 0.3 1 11 2 2 PRO CD C 51.1 0.3 1 12 2 2 PRO CG C 32.1 0.3 1 13 3 3 SER H H 8.37 0.02 1 14 3 3 SER HA H 4.40 0.02 1 15 3 3 SER HB2 H 3.91 0.02 2 16 3 3 SER HB3 H 3.87 0.02 2 17 3 3 SER C C 174.3 0.3 1 18 3 3 SER CA C 58.6 0.3 1 19 3 3 SER CB C 63.7 0.3 1 20 3 3 SER N N 115.8 0.3 1 21 4 4 ALA H H 8.08 0.02 1 22 4 4 ALA HA H 4.38 0.02 1 23 4 4 ALA HB H 1.43 0.02 1 24 4 4 ALA C C 177.5 0.3 1 25 4 4 ALA CA C 52.3 0.3 1 26 4 4 ALA CB C 19.5 0.3 1 27 4 4 ALA N N 126.3 0.3 1 28 5 5 GLU H H 8.09 0.02 1 29 5 5 GLU HA H 4.38 0.02 1 30 5 5 GLU HB2 H 2.11 0.02 2 31 5 5 GLU HB3 H 2.04 0.02 2 32 5 5 GLU HG2 H 2.26 0.02 1 33 5 5 GLU C C 176.0 0.3 1 34 5 5 GLU CA C 56.5 0.3 1 35 5 5 GLU CB C 31.4 0.3 1 36 5 5 GLU CG C 36.5 0.3 1 37 5 5 GLU N N 120.5 0.3 1 38 6 6 ALA H H 8.30 0.02 1 39 6 6 ALA HA H 4.48 0.02 1 40 6 6 ALA HB H 1.44 0.02 1 41 6 6 ALA C C 177.4 0.3 1 42 6 6 ALA CA C 51.3 0.3 1 43 6 6 ALA CB C 20.7 0.3 1 44 6 6 ALA N N 125.4 0.3 1 45 7 7 GLN H H 8.39 0.02 1 46 7 7 GLN HA H 4.52 0.02 1 47 7 7 GLN HB2 H 2.13 0.02 2 48 7 7 GLN HB3 H 2.00 0.02 2 49 7 7 GLN HE21 H 7.67 0.02 1 50 7 7 GLN HE22 H 7.07 0.02 1 51 7 7 GLN HG2 H 2.49 0.02 1 52 7 7 GLN C C 173.3 0.3 1 53 7 7 GLN CA C 53.9 0.3 1 54 7 7 GLN CB C 28.8 0.3 1 55 7 7 GLN CG C 33.6 0.3 1 56 7 7 GLN N N 123.0 0.3 1 57 7 7 GLN NE2 N 112.4 0.3 1 58 8 8 PRO HA H 4.94 0.02 1 59 8 8 PRO HB2 H 2.27 0.02 2 60 8 8 PRO HB3 H 1.72 0.02 2 61 8 8 PRO HD2 H 3.86 0.02 2 62 8 8 PRO HD3 H 3.58 0.02 2 63 8 8 PRO HG2 H 2.07 0.02 2 64 8 8 PRO HG3 H 1.90 0.02 2 65 8 8 PRO C C 177.3 0.3 1 66 8 8 PRO CA C 62.9 0.3 1 67 8 8 PRO CB C 32.7 0.3 1 68 8 8 PRO CD C 50.6 0.3 1 69 8 8 PRO CG C 27.4 0.3 1 70 9 9 ILE H H 9.00 0.02 1 71 9 9 ILE HA H 4.24 0.02 1 72 9 9 ILE HB H 1.82 0.02 1 73 9 9 ILE HD1 H 0.93 0.02 1 74 9 9 ILE HG12 H 1.79 0.02 2 75 9 9 ILE HG13 H 1.07 0.02 2 76 9 9 ILE HG2 H 0.88 0.02 1 77 9 9 ILE C C 174.5 0.3 1 78 9 9 ILE CA C 61.4 0.3 1 79 9 9 ILE CB C 39.7 0.3 1 80 9 9 ILE CD1 C 14.9 0.3 1 81 9 9 ILE CG1 C 27.1 0.3 1 82 9 9 ILE CG2 C 18.2 0.3 1 83 9 9 ILE N N 125.4 0.3 1 84 10 10 VAL H H 8.54 0.02 1 85 10 10 VAL HA H 4.57 0.02 1 86 10 10 VAL HB H 1.98 0.02 1 87 10 10 VAL HG1 H 1.03 0.02 1 88 10 10 VAL HG2 H 0.87 0.02 1 89 10 10 VAL C C 177.0 0.3 1 90 10 10 VAL CA C 61.4 0.3 1 91 10 10 VAL CB C 34.0 0.3 1 92 10 10 VAL CG1 C 21.5 0.3 1 93 10 10 VAL CG2 C 20.7 0.3 1 94 10 10 VAL N N 128.3 0.3 1 95 11 11 GLY H H 8.77 0.02 1 96 11 11 GLY HA2 H 4.25 0.02 2 97 11 11 GLY HA3 H 3.77 0.02 2 98 11 11 GLY C C 172.5 0.3 1 99 11 11 GLY CA C 44.3 0.3 1 100 11 11 GLY N N 114.1 0.3 1 101 12 12 SER H H 9.52 0.02 1 102 12 12 SER HA H 5.00 0.02 1 103 12 12 SER HB2 H 4.26 0.02 2 104 12 12 SER HB3 H 3.92 0.02 2 105 12 12 SER C C 176.0 0.3 1 106 12 12 SER CA C 57.1 0.3 1 107 12 12 SER CB C 67.7 0.3 1 108 12 12 SER N N 118.7 0.3 1 109 13 13 ASP H H 9.05 0.02 1 110 13 13 ASP HA H 4.41 0.02 1 111 13 13 ASP HB2 H 2.82 0.02 2 112 13 13 ASP HB3 H 2.57 0.02 2 113 13 13 ASP CA C 56.3 0.3 1 114 13 13 ASP CB C 40.2 0.3 1 115 13 13 ASP N N 122.9 0.3 1 116 14 14 LEU H H 7.93 0.02 1 117 14 14 LEU HA H 4.45 0.02 1 118 14 14 LEU HB2 H 1.64 0.02 2 119 14 14 LEU HB3 H 1.61 0.02 2 120 14 14 LEU HD1 H 0.91 0.02 1 121 14 14 LEU HD2 H 0.82 0.02 1 122 14 14 LEU HG H 1.63 0.02 1 123 14 14 LEU C C 176.2 0.3 1 124 14 14 LEU CA C 53.4 0.3 1 125 14 14 LEU CB C 42.3 0.3 1 126 14 14 LEU CD1 C 25.2 0.3 1 127 14 14 LEU CD2 C 22.4 0.3 1 128 14 14 LEU CG C 27.3 0.3 1 129 14 14 LEU N N 118.0 0.3 1 130 15 15 ASP H H 8.34 0.02 1 131 15 15 ASP HA H 4.07 0.02 1 132 15 15 ASP HB2 H 2.84 0.02 2 133 15 15 ASP HB3 H 2.76 0.02 2 134 15 15 ASP C C 174.8 0.3 1 135 15 15 ASP CA C 55.3 0.3 1 136 15 15 ASP CB C 39.5 0.3 1 137 15 15 ASP N N 125.3 0.3 1 138 16 16 ASP H H 9.62 0.02 1 139 16 16 ASP HA H 5.13 0.02 1 140 16 16 ASP HB2 H 2.69 0.02 2 141 16 16 ASP HB3 H 2.60 0.02 2 142 16 16 ASP C C 175.9 0.3 1 143 16 16 ASP CA C 54.0 0.3 1 144 16 16 ASP CB C 45.7 0.3 1 145 16 16 ASP N N 125.7 0.3 1 146 17 17 GLN H H 8.94 0.02 1 147 17 17 GLN HA H 5.13 0.02 1 148 17 17 GLN HB2 H 2.30 0.02 2 149 17 17 GLN HB3 H 1.93 0.02 2 150 17 17 GLN HE21 H 7.02 0.02 1 151 17 17 GLN HE22 H 7.60 0.02 1 152 17 17 GLN HG2 H 2.56 0.02 2 153 17 17 GLN HG3 H 2.28 0.02 2 154 17 17 GLN C C 174.3 0.3 1 155 17 17 GLN CA C 55.8 0.3 1 156 17 17 GLN CB C 29.3 0.3 1 157 17 17 GLN CG C 33.9 0.3 1 158 17 17 GLN N N 122.6 0.3 1 159 17 17 GLN NE2 N 112.4 0.3 1 160 18 18 LEU H H 8.84 0.02 1 161 18 18 LEU HA H 4.81 0.02 1 162 18 18 LEU HB2 H 1.70 0.02 2 163 18 18 LEU HB3 H 1.12 0.02 2 164 18 18 LEU HD1 H 0.81 0.02 1 165 18 18 LEU HD2 H 0.74 0.02 1 166 18 18 LEU HG H 1.46 0.02 1 167 18 18 LEU C C 173.8 0.3 1 168 18 18 LEU CA C 53.4 0.3 1 169 18 18 LEU CB C 43.3 0.3 1 170 18 18 LEU CD1 C 23.1 0.3 1 171 18 18 LEU CD2 C 26.9 0.3 1 172 18 18 LEU CG C 26.5 0.3 1 173 18 18 LEU N N 124.7 0.3 1 174 19 19 HIS H H 8.83 0.02 1 175 19 19 HIS HA H 5.01 0.02 1 176 19 19 HIS HB2 H 3.30 0.02 2 177 19 19 HIS HB3 H 3.16 0.02 2 178 19 19 HIS HD2 H 6.97 0.02 1 179 19 19 HIS HE1 H 6.94 0.02 1 180 19 19 HIS C C 175.5 0.3 1 181 19 19 HIS CA C 56.7 0.3 1 182 19 19 HIS CB C 33.3 0.3 1 183 19 19 HIS CD2 C 117.9 0.3 1 184 19 19 HIS CE1 C 138.7 0.3 1 185 19 19 HIS N N 124.8 0.3 1 186 20 20 GLY H H 9.20 0.02 1 187 20 20 GLY HA2 H 4.28 0.02 2 188 20 20 GLY HA3 H 3.93 0.02 2 189 20 20 GLY C C 172.2 0.3 1 190 20 20 GLY CA C 43.5 0.3 1 191 20 20 GLY N N 110.6 0.3 1 192 21 21 THR H H 10.53 0.02 1 193 21 21 THR HA H 4.97 0.02 1 194 21 21 THR HB H 4.44 0.02 1 195 21 21 THR HG2 H 1.22 0.02 1 196 21 21 THR C C 176.4 0.3 1 197 21 21 THR CA C 60.4 0.3 1 198 21 21 THR CB C 73.9 0.3 1 199 21 21 THR CG2 C 20.5 0.3 1 200 21 21 THR N N 113.2 0.3 1 201 22 22 LEU H H 8.48 0.02 1 202 22 22 LEU HA H 4.18 0.02 1 203 22 22 LEU HB2 H 1.88 0.02 2 204 22 22 LEU HB3 H 1.60 0.02 2 205 22 22 LEU HD1 H 0.94 0.02 1 206 22 22 LEU HD2 H 0.90 0.02 1 207 22 22 LEU HG H 1.65 0.02 1 208 22 22 LEU C C 175.3 0.3 1 209 22 22 LEU CA C 57.5 0.3 1 210 22 22 LEU CB C 41.4 0.3 1 211 22 22 LEU CD1 C 24.7 0.3 1 212 22 22 LEU CD2 C 24.9 0.3 1 213 22 22 LEU CG C 27.4 0.3 1 214 22 22 LEU N N 121.9 0.3 1 215 23 23 LEU H H 7.78 0.02 1 216 23 23 LEU HA H 4.43 0.02 1 217 23 23 LEU HB2 H 1.62 0.02 2 218 23 23 LEU HB3 H 1.40 0.02 2 219 23 23 LEU HD1 H 0.90 0.02 1 220 23 23 LEU HD2 H 0.83 0.02 1 221 23 23 LEU HG H 1.63 0.02 1 222 23 23 LEU C C 179.1 0.3 1 223 23 23 LEU CA C 53.1 0.3 1 224 23 23 LEU CB C 43.6 0.3 1 225 23 23 LEU CD1 C 25.3 0.3 1 226 23 23 LEU CD2 C 22.3 0.3 1 227 23 23 LEU CG C 27.4 0.3 1 228 23 23 LEU N N 118.1 0.3 1 229 24 24 GLY H H 9.09 0.02 1 230 24 24 GLY HA2 H 3.85 0.02 2 231 24 24 GLY HA3 H 3.32 0.02 2 232 24 24 GLY C C 172.5 0.3 1 233 24 24 GLY CA C 46.2 0.3 1 234 24 24 GLY N N 114.1 0.3 1 235 25 25 GLU H H 9.37 0.02 1 236 25 25 GLU HA H 4.99 0.02 1 237 25 25 GLU HB2 H 2.19 0.02 2 238 25 25 GLU HB3 H 2.15 0.02 2 239 25 25 GLU HG2 H 2.24 0.02 1 240 25 25 GLU C C 174.5 0.3 1 241 25 25 GLU CA C 54.6 0.3 1 242 25 25 GLU CB C 32.6 0.3 1 243 25 25 GLU CG C 33.4 0.3 1 244 25 25 GLU N N 124.4 0.3 1 245 26 26 GLU H H 8.37 0.02 1 246 26 26 GLU HA H 5.15 0.02 1 247 26 26 GLU HB2 H 2.04 0.02 2 248 26 26 GLU HB3 H 1.98 0.02 2 249 26 26 GLU HG2 H 2.17 0.02 1 250 26 26 GLU C C 175.6 0.3 1 251 26 26 GLU CA C 55.3 0.3 1 252 26 26 GLU CB C 30.5 0.3 1 253 26 26 GLU CG C 34.6 0.3 1 254 26 26 GLU N N 122.0 0.3 1 255 27 27 ILE H H 9.14 0.02 1 256 27 27 ILE HA H 5.06 0.02 1 257 27 27 ILE HB H 1.65 0.02 1 258 27 27 ILE HD1 H 0.76 0.02 1 259 27 27 ILE HG12 H 1.69 0.02 2 260 27 27 ILE HG13 H 0.90 0.02 2 261 27 27 ILE HG2 H 0.68 0.02 1 262 27 27 ILE C C 174.6 0.3 1 263 27 27 ILE CA C 60.7 0.3 1 264 27 27 ILE CB C 40.5 0.3 1 265 27 27 ILE CD1 C 14.1 0.3 1 266 27 27 ILE CG1 C 27.2 0.3 1 267 27 27 ILE CG2 C 18.9 0.3 1 268 27 27 ILE N N 125.7 0.3 1 269 28 28 SER H H 8.62 0.02 1 270 28 28 SER HA H 5.70 0.02 1 271 28 28 SER HB2 H 3.96 0.02 2 272 28 28 SER HB3 H 3.73 0.02 2 273 28 28 SER C C 174.9 0.3 1 274 28 28 SER CA C 55.4 0.3 1 275 28 28 SER CB C 64.7 0.3 1 276 28 28 SER N N 122.3 0.3 1 277 29 29 GLY H H 9.17 0.02 1 278 29 29 GLY HA2 H 3.75 0.02 1 279 29 29 GLY C C 174.9 0.3 1 280 29 29 GLY CA C 47.1 0.3 1 281 29 29 GLY N N 109.9 0.3 1 282 30 30 GLY H H 8.88 0.02 1 283 30 30 GLY HA2 H 3.97 0.02 1 284 30 30 GLY C C 174.5 0.3 1 285 30 30 GLY CA C 45.1 0.3 1 286 30 30 GLY N N 112.8 0.3 1 287 31 31 GLY H H 9.13 0.02 1 288 31 31 GLY HA2 H 3.98 0.02 1 289 31 31 GLY C C 172.5 0.3 1 290 31 31 GLY CA C 45.7 0.3 1 291 31 31 GLY N N 111.7 0.3 1 292 32 32 GLY H H 8.66 0.02 1 293 32 32 GLY HA2 H 4.00 0.02 2 294 32 32 GLY HA3 H 3.76 0.02 2 295 32 32 GLY C C 171.8 0.3 1 296 32 32 GLY CA C 43.7 0.3 1 297 32 32 GLY N N 111.0 0.3 1 298 33 33 ALA H H 8.73 0.02 1 299 33 33 ALA HA H 4.35 0.02 1 300 33 33 ALA HB H 1.38 0.02 1 301 33 33 ALA C C 175.2 0.3 1 302 33 33 ALA CA C 51.8 0.3 1 303 33 33 ALA CB C 18.2 0.3 1 304 33 33 ALA N N 128.8 0.3 1 305 34 34 ASP H H 9.03 0.02 1 306 34 34 ASP HA H 5.62 0.02 1 307 34 34 ASP HB2 H 2.54 0.02 2 308 34 34 ASP HB3 H 2.64 0.02 2 309 34 34 ASP C C 175.6 0.3 1 310 34 34 ASP CA C 53.7 0.3 1 311 34 34 ASP CB C 45.7 0.3 1 312 34 34 ASP N N 122.7 0.3 1 313 35 35 GLN H H 8.77 0.02 1 314 35 35 GLN HA H 5.15 0.02 1 315 35 35 GLN HB2 H 1.96 0.02 2 316 35 35 GLN HB3 H 1.95 0.02 2 317 35 35 GLN HG2 H 2.16 0.02 2 318 35 35 GLN HG3 H 2.51 0.02 2 319 35 35 GLN C C 173.2 0.3 1 320 35 35 GLN CA C 55.0 0.3 1 321 35 35 GLN CB C 31.7 0.3 1 322 35 35 GLN CG C 34.3 0.3 1 323 35 35 GLN N N 119.7 0.3 1 324 36 36 LEU H H 8.40 0.02 1 325 36 36 LEU HA H 4.89 0.02 1 326 36 36 LEU HB2 H 1.51 0.02 2 327 36 36 LEU HB3 H 1.40 0.02 2 328 36 36 LEU HD1 H 0.74 0.02 1 329 36 36 LEU HD2 H 0.64 0.02 1 330 36 36 LEU HG H 1.68 0.02 1 331 36 36 LEU C C 175.5 0.3 1 332 36 36 LEU CA C 55.2 0.3 1 333 36 36 LEU CB C 44.9 0.3 1 334 36 36 LEU CD1 C 25.7 0.3 1 335 36 36 LEU CD2 C 27.5 0.3 1 336 36 36 LEU CG C 30.9 0.3 1 337 36 36 LEU N N 124.9 0.3 1 338 37 37 TYR H H 8.50 0.02 1 339 37 37 TYR HA H 4.91 0.02 1 340 37 37 TYR HB2 H 2.65 0.02 2 341 37 37 TYR HB3 H 2.18 0.02 2 342 37 37 TYR HD1 H 6.53 0.02 1 343 37 37 TYR HE1 H 6.85 0.02 1 344 37 37 TYR C C 174.9 0.3 1 345 37 37 TYR CA C 55.4 0.3 1 346 37 37 TYR CB C 40.7 0.3 1 347 37 37 TYR CD1 C 131.2 0.3 1 348 37 37 TYR CE1 C 118.3 0.3 1 349 37 37 TYR N N 121.7 0.3 1 350 38 38 GLY H H 8.81 0.02 1 351 38 38 GLY HA2 H 3.80 0.02 2 352 38 38 GLY HA3 H 3.68 0.02 2 353 38 38 GLY C C 175.0 0.3 1 354 38 38 GLY CA C 46.9 0.3 1 355 38 38 GLY N N 108.6 0.3 1 356 39 39 TYR H H 8.75 0.02 1 357 39 39 TYR HA H 4.41 0.02 1 358 39 39 TYR HB2 H 3.22 0.02 2 359 39 39 TYR HB3 H 2.96 0.02 2 360 39 39 TYR HD1 H 6.84 0.02 1 361 39 39 TYR C C 175.8 0.3 1 362 39 39 TYR CA C 59.1 0.3 1 363 39 39 TYR CB C 35.1 0.3 1 364 39 39 TYR CD1 C 133.5 0.3 1 365 39 39 TYR N N 119.0 0.3 1 366 40 40 GLY H H 8.28 0.02 1 367 40 40 GLY HA2 H 3.97 0.02 1 368 40 40 GLY C C 172.5 0.3 1 369 40 40 GLY CA C 46.1 0.3 1 370 40 40 GLY N N 111.8 0.3 1 371 41 41 GLY H H 8.65 0.02 1 372 41 41 GLY HA2 H 3.83 0.02 1 373 41 41 GLY C C 172.5 0.3 1 374 41 41 GLY CA C 43.2 0.3 1 375 41 41 GLY N N 109.0 0.3 1 376 42 42 GLY H H 9.09 0.02 1 377 42 42 GLY HA2 H 3.69 0.02 2 378 42 42 GLY HA3 H 3.27 0.02 2 379 42 42 GLY C C 171.5 0.3 1 380 42 42 GLY CA C 47.2 0.3 1 381 42 42 GLY N N 111.4 0.3 1 382 43 43 ASP H H 9.36 0.02 1 383 43 43 ASP HA H 5.08 0.02 1 384 43 43 ASP HB2 H 2.81 0.02 2 385 43 43 ASP HB3 H 2.50 0.02 2 386 43 43 ASP C C 173.5 0.3 1 387 43 43 ASP CA C 54.4 0.3 1 388 43 43 ASP CB C 44.0 0.3 1 389 43 43 ASP N N 128.0 0.3 1 390 44 44 LEU H H 8.52 0.02 1 391 44 44 LEU HA H 5.04 0.02 1 392 44 44 LEU HB2 H 1.62 0.02 2 393 44 44 LEU HB3 H 1.53 0.02 2 394 44 44 LEU HD1 H 0.79 0.02 1 395 44 44 LEU HD2 H 0.73 0.02 1 396 44 44 LEU HG H 1.42 0.02 1 397 44 44 LEU C C 174.5 0.3 1 398 44 44 LEU CA C 54.3 0.3 1 399 44 44 LEU CB C 44.1 0.3 1 400 44 44 LEU CD1 C 25.2 0.3 1 401 44 44 LEU CD2 C 24.9 0.3 1 402 44 44 LEU CG C 28.4 0.3 1 403 44 44 LEU N N 125.8 0.3 1 404 45 45 LEU H H 8.95 0.02 1 405 45 45 LEU HA H 5.04 0.02 1 406 45 45 LEU HB2 H 1.53 0.02 2 407 45 45 LEU HB3 H 1.44 0.02 2 408 45 45 LEU HD1 H 0.68 0.02 1 409 45 45 LEU HD2 H 0.57 0.02 1 410 45 45 LEU HG H 1.42 0.02 1 411 45 45 LEU C C 174.5 0.3 1 412 45 45 LEU CA C 55.0 0.3 1 413 45 45 LEU CB C 44.3 0.3 1 414 45 45 LEU CD1 C 28.1 0.3 1 415 45 45 LEU CD2 C 26.8 0.3 1 416 45 45 LEU CG C 30.1 0.3 1 417 45 45 LEU N N 126.7 0.3 1 418 46 46 ASP H H 8.33 0.02 1 419 46 46 ASP HA H 5.08 0.02 1 420 46 46 ASP HB2 H 2.84 0.02 2 421 46 46 ASP HB3 H 2.19 0.02 2 422 46 46 ASP C C 177.8 0.3 1 423 46 46 ASP CA C 52.2 0.3 1 424 46 46 ASP CB C 43.1 0.3 1 425 46 46 ASP N N 121.7 0.3 1 426 47 47 GLY H H 9.83 0.02 1 427 47 47 GLY HA2 H 3.85 0.02 2 428 47 47 GLY HA3 H 3.53 0.02 2 429 47 47 GLY C C 174.4 0.3 1 430 47 47 GLY CA C 47.1 0.3 1 431 47 47 GLY N N 113.1 0.3 1 432 48 48 GLY H H 8.94 0.02 1 433 48 48 GLY HA2 H 4.12 0.02 2 434 48 48 GLY HA3 H 3.82 0.02 2 435 48 48 GLY C C 173.0 0.3 1 436 48 48 GLY CA C 45.2 0.3 1 437 48 48 GLY N N 113.3 0.3 1 438 49 49 ALA H H 8.71 0.02 1 439 49 49 ALA HA H 4.37 0.02 1 440 49 49 ALA HB H 1.47 0.02 1 441 49 49 ALA C C 177.9 0.3 1 442 49 49 ALA CA C 52.5 0.3 1 443 49 49 ALA CB C 19.8 0.3 1 444 49 49 ALA N N 128.8 0.3 1 445 50 50 GLY H H 9.19 0.02 1 446 50 50 GLY HA2 H 4.14 0.02 2 447 50 50 GLY HA3 H 3.75 0.02 2 448 50 50 GLY C C 172.7 0.3 1 449 50 50 GLY CA C 44.1 0.3 1 450 50 50 GLY N N 110.5 0.3 1 451 51 51 ARG H H 8.85 0.02 1 452 51 51 ARG HA H 4.50 0.02 1 453 51 51 ARG HB2 H 2.07 0.02 2 454 51 51 ARG HB3 H 1.66 0.02 2 455 51 51 ARG HD2 H 3.17 0.02 2 456 51 51 ARG HD3 H 3.05 0.02 2 457 51 51 ARG HG2 H 1.68 0.02 2 458 51 51 ARG HG3 H 1.35 0.02 2 459 51 51 ARG C C 174.2 0.3 1 460 51 51 ARG CA C 56.0 0.3 1 461 51 51 ARG CB C 31.0 0.3 1 462 51 51 ARG CD C 44.2 0.3 1 463 51 51 ARG CG C 27.0 0.3 1 464 51 51 ARG N N 124.0 0.3 1 465 52 52 ASP H H 8.71 0.02 1 466 52 52 ASP HA H 5.68 0.02 1 467 52 52 ASP HB2 H 2.56 0.02 2 468 52 52 ASP HB3 H 2.43 0.02 2 469 52 52 ASP C C 174.5 0.3 1 470 52 52 ASP CA C 53.3 0.3 1 471 52 52 ASP CB C 45.9 0.3 1 472 52 52 ASP N N 126.9 0.3 1 473 53 53 ARG H H 8.83 0.02 1 474 53 53 ARG HA H 5.14 0.02 1 475 53 53 ARG HB2 H 1.90 0.02 2 476 53 53 ARG HB3 H 1.53 0.02 2 477 53 53 ARG HD2 H 3.33 0.02 2 478 53 53 ARG HD3 H 2.95 0.02 2 479 53 53 ARG HG2 H 1.75 0.02 2 480 53 53 ARG HG3 H 1.44 0.02 2 481 53 53 ARG C C 175.2 0.3 1 482 53 53 ARG CA C 55.5 0.3 1 483 53 53 ARG CB C 33.6 0.3 1 484 53 53 ARG CD C 43.7 0.3 1 485 53 53 ARG CG C 28.6 0.3 1 486 53 53 ARG N N 121.7 0.3 1 487 54 54 LEU H H 8.90 0.02 1 488 54 54 LEU HA H 4.74 0.02 1 489 54 54 LEU HB2 H 1.58 0.02 2 490 54 54 LEU HB3 H 1.99 0.02 2 491 54 54 LEU HD1 H 1.06 0.02 1 492 54 54 LEU HD2 H 0.90 0.02 1 493 54 54 LEU HG H 1.60 0.02 1 494 54 54 LEU C C 174.1 0.3 1 495 54 54 LEU CA C 54.7 0.3 1 496 54 54 LEU CB C 45.3 0.3 1 497 54 54 LEU CD1 C 26.4 0.3 1 498 54 54 LEU CD2 C 27.0 0.3 1 499 54 54 LEU CG C 27.9 0.3 1 500 54 54 LEU N N 123.9 0.3 1 501 55 55 THR H H 8.28 0.02 1 502 55 55 THR HA H 4.88 0.02 1 503 55 55 THR HB H 3.99 0.02 1 504 55 55 THR HG2 H 1.15 0.02 1 505 55 55 THR C C 175.7 0.3 1 506 55 55 THR CA C 61.4 0.3 1 507 55 55 THR CB C 69.4 0.3 1 508 55 55 THR CG2 C 21.8 0.3 1 509 55 55 THR N N 122.0 0.3 1 510 56 56 GLY H H 11.82 0.02 1 511 56 56 GLY HA2 H 4.04 0.02 2 512 56 56 GLY HA3 H 3.58 0.02 2 513 56 56 GLY C C 176.3 0.3 1 514 56 56 GLY CA C 47.4 0.3 1 515 56 56 GLY N N 122.4 0.3 1 516 57 57 GLY H H 10.95 0.02 1 517 57 57 GLY HA2 H 4.20 0.02 2 518 57 57 GLY HA3 H 3.79 0.02 2 519 57 57 GLY C C 173.9 0.3 1 520 57 57 GLY CA C 44.1 0.3 1 521 57 57 GLY N N 115.2 0.3 1 522 58 58 GLU H H 8.98 0.02 1 523 58 58 GLU HA H 4.28 0.02 1 524 58 58 GLU HB2 H 2.15 0.02 2 525 58 58 GLU HB3 H 1.91 0.02 2 526 58 58 GLU HG2 H 2.49 0.02 2 527 58 58 GLU HG3 H 2.31 0.02 2 528 58 58 GLU C C 176.4 0.3 1 529 58 58 GLU CA C 57.6 0.3 1 530 58 58 GLU CB C 30.6 0.3 1 531 58 58 GLU CG C 36.9 0.3 1 532 58 58 GLU N N 123.4 0.3 1 533 59 59 GLY H H 8.90 0.02 1 534 59 59 GLY HA2 H 3.91 0.02 2 535 59 59 GLY HA3 H 3.60 0.02 2 536 59 59 GLY C C 172.3 0.3 1 537 59 59 GLY CA C 43.5 0.3 1 538 59 59 GLY N N 112.5 0.3 1 539 60 60 ALA H H 8.67 0.02 1 540 60 60 ALA HA H 4.14 0.02 1 541 60 60 ALA HB H 1.29 0.02 1 542 60 60 ALA C C 174.6 0.3 1 543 60 60 ALA CA C 51.9 0.3 1 544 60 60 ALA CB C 17.6 0.3 1 545 60 60 ALA N N 125.8 0.3 1 546 61 61 ASP H H 8.86 0.02 1 547 61 61 ASP HA H 5.21 0.02 1 548 61 61 ASP HB2 H 2.06 0.02 2 549 61 61 ASP HB3 H 1.85 0.02 2 550 61 61 ASP C C 174.6 0.3 1 551 61 61 ASP CA C 54.2 0.3 1 552 61 61 ASP CB C 43.6 0.3 1 553 61 61 ASP N N 125.9 0.3 1 554 62 62 THR H H 8.89 0.02 1 555 62 62 THR HA H 5.04 0.02 1 556 62 62 THR HB H 3.88 0.02 1 557 62 62 THR HG2 H 1.02 0.02 1 558 62 62 THR C C 172.4 0.3 1 559 62 62 THR CA C 61.7 0.3 1 560 62 62 THR CB C 70.3 0.3 1 561 62 62 THR CG2 C 21.7 0.3 1 562 62 62 THR N N 118.3 0.3 1 563 63 63 PHE H H 9.06 0.02 1 564 63 63 PHE HA H 4.97 0.02 1 565 63 63 PHE HB2 H 3.30 0.02 2 566 63 63 PHE HB3 H 2.77 0.02 2 567 63 63 PHE HD1 H 7.34 0.02 1 568 63 63 PHE HE1 H 7.29 0.02 1 569 63 63 PHE C C 173.3 0.3 1 570 63 63 PHE CA C 56.4 0.3 1 571 63 63 PHE CB C 39.4 0.3 1 572 63 63 PHE CD1 C 132.2 0.3 1 573 63 63 PHE CE1 C 132.1 0.3 1 574 63 63 PHE N N 127.7 0.3 1 575 64 64 ARG H H 9.10 0.02 1 576 64 64 ARG HA H 4.88 0.02 1 577 64 64 ARG HB2 H 1.61 0.02 2 578 64 64 ARG HB3 H 1.76 0.02 2 579 64 64 ARG HD2 H 3.13 0.02 2 580 64 64 ARG HD3 H 2.92 0.02 2 581 64 64 ARG HG2 H 1.52 0.02 1 582 64 64 ARG C C 172.8 0.3 1 583 64 64 ARG CA C 55.6 0.3 1 584 64 64 ARG CB C 34.3 0.3 1 585 64 64 ARG CD C 43.1 0.3 1 586 64 64 ARG CG C 26.3 0.3 1 587 64 64 ARG N N 127.4 0.3 1 588 65 65 PHE H H 7.42 0.02 1 589 65 65 PHE HA H 4.90 0.02 1 590 65 65 PHE HB2 H 2.97 0.02 2 591 65 65 PHE HB3 H 2.87 0.02 2 592 65 65 PHE HD1 H 7.43 0.02 1 593 65 65 PHE HE1 H 7.38 0.02 1 594 65 65 PHE C C 174.4 0.3 1 595 65 65 PHE CA C 56.4 0.3 1 596 65 65 PHE CB C 42.3 0.3 1 597 65 65 PHE CD1 C 132.0 0.3 1 598 65 65 PHE CE1 C 130.6 0.3 1 599 65 65 PHE N N 123.3 0.3 1 600 66 66 ALA H H 9.32 0.02 1 601 66 66 ALA HA H 4.06 0.02 1 602 66 66 ALA HB H 1.52 0.02 1 603 66 66 ALA C C 176.9 0.3 1 604 66 66 ALA CA C 54.7 0.3 1 605 66 66 ALA CB C 20.3 0.3 1 606 66 66 ALA N N 129.2 0.3 1 607 67 67 LEU H H 6.95 0.02 1 608 67 67 LEU HA H 4.49 0.02 1 609 67 67 LEU HB2 H 1.54 0.02 2 610 67 67 LEU HB3 H 1.48 0.02 2 611 67 67 LEU HD1 H 0.94 0.02 1 612 67 67 LEU HD2 H 0.87 0.02 1 613 67 67 LEU HG H 1.63 0.02 1 614 67 67 LEU C C 178.6 0.3 1 615 67 67 LEU CA C 53.3 0.3 1 616 67 67 LEU CB C 45.9 0.3 1 617 67 67 LEU CD1 C 25.1 0.3 1 618 67 67 LEU CD2 C 25.1 0.3 1 619 67 67 LEU CG C 27.3 0.3 1 620 67 67 LEU N N 115.9 0.3 1 621 68 68 ARG H H 9.32 0.02 1 622 68 68 ARG HA H 4.08 0.02 1 623 68 68 ARG HB2 H 1.97 0.02 2 624 68 68 ARG HB3 H 1.90 0.02 2 625 68 68 ARG HD2 H 3.14 0.02 2 626 68 68 ARG HD3 H 3.04 0.02 2 627 68 68 ARG HG2 H 1.93 0.02 2 628 68 68 ARG HG3 H 1.30 0.02 2 629 68 68 ARG C C 178.7 0.3 1 630 68 68 ARG CA C 60.6 0.3 1 631 68 68 ARG CB C 30.4 0.3 1 632 68 68 ARG CD C 43.8 0.3 1 633 68 68 ARG CG C 30.6 0.3 1 634 68 68 ARG N N 124.8 0.3 1 635 69 69 GLU H H 9.38 0.02 1 636 69 69 GLU HA H 4.02 0.02 1 637 69 69 GLU HB2 H 2.10 0.02 2 638 69 69 GLU HB3 H 1.92 0.02 2 639 69 69 GLU HG2 H 2.19 0.02 1 640 69 69 GLU C C 176.0 0.3 1 641 69 69 GLU CA C 57.4 0.3 1 642 69 69 GLU CB C 28.0 0.3 1 643 69 69 GLU CG C 36.2 0.3 1 644 69 69 GLU N N 113.4 0.3 1 645 70 70 ASP H H 7.58 0.02 1 646 70 70 ASP HA H 4.63 0.02 1 647 70 70 ASP HB2 H 3.17 0.02 2 648 70 70 ASP HB3 H 3.04 0.02 2 649 70 70 ASP C C 178.6 0.3 1 650 70 70 ASP CA C 56.2 0.3 1 651 70 70 ASP CB C 39.8 0.3 1 652 70 70 ASP N N 120.3 0.3 1 653 71 71 SER H H 7.42 0.02 1 654 71 71 SER HA H 4.85 0.02 1 655 71 71 SER HB2 H 3.82 0.02 2 656 71 71 SER HB3 H 3.80 0.02 2 657 71 71 SER C C 171.3 0.3 1 658 71 71 SER CA C 58.7 0.3 1 659 71 71 SER CB C 62.7 0.3 1 660 71 71 SER N N 120.1 0.3 1 661 72 72 GLN H H 7.25 0.02 1 662 72 72 GLN HA H 5.60 0.02 1 663 72 72 GLN HB2 H 2.29 0.02 2 664 72 72 GLN HB3 H 2.08 0.02 2 665 72 72 GLN HE21 H 6.51 0.02 1 666 72 72 GLN HE22 H 7.56 0.02 1 667 72 72 GLN HG2 H 2.28 0.02 2 668 72 72 GLN HG3 H 2.33 0.02 2 669 72 72 GLN C C 173.9 0.3 1 670 72 72 GLN CA C 54.5 0.3 1 671 72 72 GLN CB C 32.1 0.3 1 672 72 72 GLN CG C 32.4 0.3 1 673 72 72 GLN N N 120.1 0.3 1 674 72 72 GLN NE2 N 109.2 0.3 1 675 73 73 ARG H H 8.95 0.02 1 676 73 73 ARG HA H 4.87 0.02 1 677 73 73 ARG HB2 H 1.75 0.02 2 678 73 73 ARG HB3 H 1.61 0.02 2 679 73 73 ARG HD2 H 3.13 0.02 2 680 73 73 ARG HD3 H 2.93 0.02 2 681 73 73 ARG HG2 H 1.53 0.02 2 682 73 73 ARG HG3 H 1.41 0.02 2 683 73 73 ARG C C 174.0 0.3 1 684 73 73 ARG CA C 54.5 0.3 1 685 73 73 ARG CB C 33.6 0.3 1 686 73 73 ARG CD C 43.3 0.3 1 687 73 73 ARG CG C 26.3 0.3 1 688 73 73 ARG N N 119.2 0.3 1 689 74 74 SER H H 8.59 0.02 1 690 74 74 SER HA H 5.01 0.02 1 691 74 74 SER HB2 H 4.19 0.02 2 692 74 74 SER HB3 H 4.04 0.02 2 693 74 74 SER C C 178.9 0.3 1 694 74 74 SER CA C 57.3 0.3 1 695 74 74 SER CB C 66.9 0.3 1 696 74 74 SER N N 117.1 0.3 1 697 75 75 ALA HA H 4.04 0.02 1 698 75 75 ALA HB H 1.55 0.02 1 699 75 75 ALA C C 178.9 0.3 1 700 75 75 ALA CA C 55.1 0.3 1 701 75 75 ALA CB C 19.5 0.3 1 702 76 76 ALA H H 8.21 0.02 1 703 76 76 ALA HA H 4.38 0.02 1 704 76 76 ALA HB H 1.48 0.02 1 705 76 76 ALA C C 177.9 0.3 1 706 76 76 ALA CA C 52.7 0.3 1 707 76 76 ALA CB C 19.4 0.3 1 708 76 76 ALA N N 118.5 0.3 1 709 77 77 GLY H H 7.60 0.02 1 710 77 77 GLY HA2 H 4.16 0.02 2 711 77 77 GLY HA3 H 3.80 0.02 2 712 77 77 GLY C C 172.3 0.3 1 713 77 77 GLY CA C 44.9 0.3 1 714 77 77 GLY N N 106.6 0.3 1 715 78 78 THR H H 8.04 0.02 1 716 78 78 THR HA H 4.28 0.02 1 717 78 78 THR HB H 3.94 0.02 1 718 78 78 THR HG2 H 1.12 0.02 1 719 78 78 THR C C 172.9 0.3 1 720 78 78 THR CA C 61.9 0.3 1 721 78 78 THR CB C 69.2 0.3 1 722 78 78 THR CG2 C 21.5 0.3 1 723 78 78 THR N N 115.4 0.3 1 724 79 79 PHE H H 8.56 0.02 1 725 79 79 PHE HA H 4.71 0.02 1 726 79 79 PHE HB2 H 3.31 0.02 2 727 79 79 PHE HB3 H 2.80 0.02 2 728 79 79 PHE HD1 H 7.14 0.02 1 729 79 79 PHE HE1 H 7.20 0.02 1 730 79 79 PHE C C 175.3 0.3 1 731 79 79 PHE CA C 56.1 0.3 1 732 79 79 PHE CB C 39.3 0.3 1 733 79 79 PHE CD1 C 132.4 0.3 1 734 79 79 PHE CE1 C 131.2 0.3 1 735 79 79 PHE N N 127.9 0.3 1 736 80 80 SER H H 7.37 0.02 1 737 80 80 SER HA H 4.30 0.02 1 738 80 80 SER HB2 H 3.62 0.02 2 739 80 80 SER HB3 H 3.44 0.02 2 740 80 80 SER C C 174.5 0.3 1 741 80 80 SER CA C 56.4 0.3 1 742 80 80 SER CB C 64.8 0.3 1 743 80 80 SER N N 115.0 0.3 1 744 81 81 ASP H H 9.33 0.02 1 745 81 81 ASP HA H 5.11 0.02 1 746 81 81 ASP HB2 H 3.03 0.02 2 747 81 81 ASP HB3 H 2.62 0.02 2 748 81 81 ASP C C 176.0 0.3 1 749 81 81 ASP CA C 54.7 0.3 1 750 81 81 ASP CB C 40.7 0.3 1 751 81 81 ASP N N 126.1 0.3 1 752 82 82 LEU H H 8.42 0.02 1 753 82 82 LEU HA H 5.16 0.02 1 754 82 82 LEU HB2 H 1.66 0.02 2 755 82 82 LEU HB3 H 1.35 0.02 2 756 82 82 LEU HD1 H 0.81 0.02 1 757 82 82 LEU HD2 H 0.68 0.02 1 758 82 82 LEU HG H 1.21 0.02 1 759 82 82 LEU C C 175.3 0.3 1 760 82 82 LEU CA C 53.1 0.3 1 761 82 82 LEU CB C 46.1 0.3 1 762 82 82 LEU CD1 C 26.9 0.3 1 763 82 82 LEU CD2 C 23.0 0.3 1 764 82 82 LEU CG C 27.9 0.3 1 765 82 82 LEU N N 122.3 0.3 1 766 83 83 ILE H H 8.79 0.02 1 767 83 83 ILE HA H 4.67 0.02 1 768 83 83 ILE HB H 1.56 0.02 1 769 83 83 ILE HD1 H 0.51 0.02 1 770 83 83 ILE HG12 H 1.46 0.02 2 771 83 83 ILE HG13 H 0.64 0.02 2 772 83 83 ILE HG2 H 0.18 0.02 1 773 83 83 ILE C C 178.6 0.3 1 774 83 83 ILE CA C 60.3 0.3 1 775 83 83 ILE CB C 37.8 0.3 1 776 83 83 ILE CD1 C 14.4 0.3 1 777 83 83 ILE CG1 C 28.2 0.3 1 778 83 83 ILE CG2 C 17.4 0.3 1 779 83 83 ILE N N 126.6 0.3 1 780 84 84 LEU H H 9.14 0.02 1 781 84 84 LEU HA H 4.19 0.02 1 782 84 84 LEU HB2 H 2.01 0.02 2 783 84 84 LEU HB3 H 1.61 0.02 2 784 84 84 LEU HD1 H 0.85 0.02 1 785 84 84 LEU HD2 H 0.82 0.02 1 786 84 84 LEU HG H 1.65 0.02 1 787 84 84 LEU CA C 57.7 0.3 1 788 84 84 LEU CB C 41.4 0.3 1 789 84 84 LEU CD1 C 24.6 0.3 1 790 84 84 LEU CD2 C 24.4 0.3 1 791 84 84 LEU CG C 27.5 0.3 1 792 84 84 LEU N N 132.8 0.3 1 793 85 85 ASP H H 8.17 0.02 1 794 85 85 ASP HA H 4.90 0.02 1 795 85 85 ASP HB2 H 2.87 0.02 2 796 85 85 ASP HB3 H 2.25 0.02 2 797 85 85 ASP C C 175.5 0.3 1 798 85 85 ASP CA C 52.9 0.3 1 799 85 85 ASP CB C 41.3 0.3 1 800 85 85 ASP N N 123.6 0.3 1 801 86 86 PHE H H 9.29 0.02 1 802 86 86 PHE HA H 4.15 0.02 1 803 86 86 PHE HB2 H 2.58 0.02 2 804 86 86 PHE HB3 H 2.40 0.02 2 805 86 86 PHE HD1 H 6.51 0.02 1 806 86 86 PHE HE1 H 6.92 0.02 1 807 86 86 PHE C C 175.3 0.3 1 808 86 86 PHE CA C 60.0 0.3 1 809 86 86 PHE CB C 40.2 0.3 1 810 86 86 PHE CD1 C 133.6 0.3 1 811 86 86 PHE CE1 C 133.0 0.3 1 812 86 86 PHE N N 123.6 0.3 1 813 87 87 ASP H H 9.16 0.02 1 814 87 87 ASP HA H 5.04 0.02 1 815 87 87 ASP HB2 H 2.86 0.02 2 816 87 87 ASP HB3 H 2.56 0.02 2 817 87 87 ASP C C 175.4 0.3 1 818 87 87 ASP CA C 48.9 0.3 1 819 87 87 ASP CB C 41.3 0.3 1 820 87 87 ASP N N 128.1 0.3 1 821 88 88 PRO HA H 3.90 0.02 1 822 88 88 PRO HB2 H 2.22 0.02 2 823 88 88 PRO HB3 H 2.11 0.02 2 824 88 88 PRO HD2 H 3.73 0.02 2 825 88 88 PRO HD3 H 3.97 0.02 2 826 88 88 PRO HG2 H 2.27 0.02 2 827 88 88 PRO HG3 H 2.12 0.02 2 828 88 88 PRO C C 177.4 0.3 1 829 88 88 PRO CA C 63.8 0.3 1 830 88 88 PRO CB C 33.2 0.3 1 831 88 88 PRO CD C 51.2 0.3 1 832 88 88 PRO CG C 32.1 0.3 1 833 89 89 THR H H 8.17 0.02 1 834 89 89 THR HA H 4.36 0.02 1 835 89 89 THR HB H 4.29 0.02 1 836 89 89 THR HG2 H 1.25 0.02 1 837 89 89 THR C C 175.0 0.3 1 838 89 89 THR CA C 62.9 0.3 1 839 89 89 THR CB C 69.7 0.3 1 840 89 89 THR CG2 C 21.8 0.3 1 841 89 89 THR N N 108.8 0.3 1 842 90 90 GLN H H 7.33 0.02 1 843 90 90 GLN HA H 4.58 0.02 1 844 90 90 GLN HB2 H 2.09 0.02 2 845 90 90 GLN HB3 H 1.68 0.02 2 846 90 90 GLN HE21 H 6.81 0.02 1 847 90 90 GLN HE22 H 7.36 0.02 1 848 90 90 GLN HG2 H 1.89 0.02 2 849 90 90 GLN HG3 H 2.17 0.02 2 850 90 90 GLN C C 174.8 0.3 1 851 90 90 GLN CA C 57.1 0.3 1 852 90 90 GLN CB C 33.3 0.3 1 853 90 90 GLN CG C 33.3 0.3 1 854 90 90 GLN N N 118.4 0.3 1 855 90 90 GLN NE2 N 112.2 0.3 1 856 91 91 ASP H H 8.44 0.02 1 857 91 91 ASP HA H 5.24 0.02 1 858 91 91 ASP HB2 H 3.01 0.02 2 859 91 91 ASP HB3 H 2.17 0.02 2 860 91 91 ASP C C 174.8 0.3 1 861 91 91 ASP CA C 54.1 0.3 1 862 91 91 ASP CB C 44.3 0.3 1 863 91 91 ASP N N 119.8 0.3 1 864 92 92 LYS H H 8.95 0.02 1 865 92 92 LYS HA H 5.61 0.02 1 866 92 92 LYS HB2 H 1.77 0.02 2 867 92 92 LYS HB3 H 1.56 0.02 2 868 92 92 LYS HD2 H 1.66 0.02 2 869 92 92 LYS HD3 H 1.41 0.02 2 870 92 92 LYS HE2 H 2.97 0.02 2 871 92 92 LYS HE3 H 2.87 0.02 2 872 92 92 LYS HG2 H 1.39 0.02 2 873 92 92 LYS HG3 H 1.29 0.02 2 874 92 92 LYS C C 176.6 0.3 1 875 92 92 LYS CA C 54.3 0.3 1 876 92 92 LYS CB C 37.5 0.3 1 877 92 92 LYS CD C 29.4 0.3 1 878 92 92 LYS CE C 42.2 0.3 1 879 92 92 LYS CG C 25.4 0.3 1 880 92 92 LYS N N 114.5 0.3 1 881 93 93 LEU H H 8.92 0.02 1 882 93 93 LEU HA H 5.38 0.02 1 883 93 93 LEU HB2 H 1.84 0.02 2 884 93 93 LEU HB3 H 1.43 0.02 2 885 93 93 LEU HD1 H 0.68 0.02 1 886 93 93 LEU HD2 H 0.46 0.02 1 887 93 93 LEU HG H 1.67 0.02 1 888 93 93 LEU C C 175.5 0.3 1 889 93 93 LEU CA C 53.9 0.3 1 890 93 93 LEU CB C 44.0 0.3 1 891 93 93 LEU CD1 C 25.8 0.3 1 892 93 93 LEU CD2 C 26.1 0.3 1 893 93 93 LEU CG C 27.6 0.3 1 894 93 93 LEU N N 122.7 0.3 1 895 94 94 ASP H H 9.40 0.02 1 896 94 94 ASP HA H 5.24 0.02 1 897 94 94 ASP HB2 H 2.25 0.02 2 898 94 94 ASP HB3 H 2.79 0.02 2 899 94 94 ASP C C 176.7 0.3 1 900 94 94 ASP CA C 53.9 0.3 1 901 94 94 ASP CB C 42.3 0.3 1 902 94 94 ASP N N 122.6 0.3 1 903 95 95 VAL H H 7.97 0.02 1 904 95 95 VAL HA H 4.83 0.02 1 905 95 95 VAL HB H 2.67 0.02 1 906 95 95 VAL HG1 H 0.74 0.02 1 907 95 95 VAL HG2 H 0.65 0.02 1 908 95 95 VAL C C 176.9 0.3 1 909 95 95 VAL CA C 59.8 0.3 1 910 95 95 VAL CB C 31.4 0.3 1 911 95 95 VAL CG1 C 21.1 0.3 1 912 95 95 VAL CG2 C 19.7 0.3 1 913 95 95 VAL N N 118.4 0.3 1 914 96 96 SER H H 8.83 0.02 1 915 96 96 SER HA H 4.79 0.02 1 916 96 96 SER HB2 H 4.50 0.02 1 917 96 96 SER C C 176.5 0.3 1 918 96 96 SER CA C 63.1 0.3 1 919 96 96 SER CB C 64.3 0.3 1 920 96 96 SER N N 122.9 0.3 1 921 97 97 ALA H H 8.89 0.02 1 922 97 97 ALA HA H 4.41 0.02 1 923 97 97 ALA HB H 1.44 0.02 1 924 97 97 ALA C C 178.9 0.3 1 925 97 97 ALA CA C 53.2 0.3 1 926 97 97 ALA CB C 18.7 0.3 1 927 97 97 ALA N N 125.8 0.3 1 928 98 98 LEU H H 7.75 0.02 1 929 98 98 LEU HA H 4.05 0.02 1 930 98 98 LEU HB2 H 1.79 0.02 2 931 98 98 LEU HB3 H 1.03 0.02 2 932 98 98 LEU HD1 H 0.35 0.02 1 933 98 98 LEU HD2 H 0.32 0.02 1 934 98 98 LEU HG H 1.33 0.02 1 935 98 98 LEU C C 177.9 0.3 1 936 98 98 LEU CA C 54.5 0.3 1 937 98 98 LEU CB C 42.7 0.3 1 938 98 98 LEU CD1 C 27.0 0.3 1 939 98 98 LEU CD2 C 22.5 0.3 1 940 98 98 LEU CG C 27.0 0.3 1 941 98 98 LEU N N 115.0 0.3 1 942 99 99 GLY H H 7.66 0.02 1 943 99 99 GLY HA2 H 3.82 0.02 2 944 99 99 GLY HA3 H 3.47 0.02 2 945 99 99 GLY C C 173.2 0.3 1 946 99 99 GLY CA C 45.7 0.3 1 947 99 99 GLY N N 105.2 0.3 1 948 100 100 PHE H H 6.45 0.02 1 949 100 100 PHE HA H 5.44 0.02 1 950 100 100 PHE HB2 H 3.19 0.02 2 951 100 100 PHE HB3 H 2.73 0.02 2 952 100 100 PHE HD1 H 6.83 0.02 1 953 100 100 PHE HE1 H 6.88 0.02 1 954 100 100 PHE C C 176.6 0.3 1 955 100 100 PHE CA C 56.3 0.3 1 956 100 100 PHE CB C 40.0 0.3 1 957 100 100 PHE CD1 C 130.9 0.3 1 958 100 100 PHE CE1 C 133.5 0.3 1 959 100 100 PHE N N 116.6 0.3 1 960 101 101 THR H H 9.26 0.02 1 961 101 101 THR HA H 4.53 0.02 1 962 101 101 THR HB H 4.28 0.02 1 963 101 101 THR HG2 H 1.11 0.02 1 964 101 101 THR C C 174.5 0.3 1 965 101 101 THR CA C 62.0 0.3 1 966 101 101 THR CB C 69.6 0.3 1 967 101 101 THR CG2 C 21.0 0.3 1 968 101 101 THR N N 113.1 0.3 1 969 102 102 GLY H H 6.65 0.02 1 970 102 102 GLY HA2 H 3.53 0.02 2 971 102 102 GLY HA3 H 1.81 0.02 2 972 102 102 GLY C C 171.8 0.3 1 973 102 102 GLY CA C 44.4 0.3 1 974 102 102 GLY N N 109.7 0.3 1 975 103 103 LEU H H 8.23 0.02 1 976 103 103 LEU HA H 5.15 0.02 1 977 103 103 LEU HB2 H 1.84 0.02 2 978 103 103 LEU HB3 H 1.60 0.02 2 979 103 103 LEU HD1 H 0.94 0.02 1 980 103 103 LEU HD2 H 0.86 0.02 1 981 103 103 LEU HG H 1.63 0.02 1 982 103 103 LEU C C 178.5 0.3 1 983 103 103 LEU CA C 53.4 0.3 1 984 103 103 LEU CB C 42.5 0.3 1 985 103 103 LEU CD1 C 25.5 0.3 1 986 103 103 LEU CD2 C 23.2 0.3 1 987 103 103 LEU CG C 27.4 0.3 1 988 103 103 LEU N N 119.4 0.3 1 989 104 104 GLY H H 8.74 0.02 1 990 104 104 GLY HA2 H 4.05 0.02 2 991 104 104 GLY HA3 H 3.97 0.02 2 992 104 104 GLY C C 172.1 0.3 1 993 104 104 GLY CA C 47.3 0.3 1 994 104 104 GLY N N 111.7 0.3 1 995 105 105 ASN H H 8.35 0.02 1 996 105 105 ASN HA H 4.78 0.02 1 997 105 105 ASN HB2 H 3.45 0.02 2 998 105 105 ASN HB3 H 2.97 0.02 2 999 105 105 ASN HD21 H 7.04 0.02 1 1000 105 105 ASN HD22 H 7.70 0.02 1 1001 105 105 ASN C C 176.4 0.3 1 1002 105 105 ASN CA C 52.2 0.3 1 1003 105 105 ASN CB C 42.4 0.3 1 1004 105 105 ASN N N 124.3 0.3 1 1005 105 105 ASN ND2 N 110.5 0.3 1 1006 106 106 GLY H H 8.10 0.02 1 1007 106 106 GLY HA2 H 4.20 0.02 2 1008 106 106 GLY HA3 H 3.79 0.02 2 1009 106 106 GLY C C 173.0 0.3 1 1010 106 106 GLY CA C 44.7 0.3 1 1011 106 106 GLY N N 107.5 0.3 1 1012 107 107 TYR H H 7.97 0.02 1 1013 107 107 TYR HA H 4.90 0.02 1 1014 107 107 TYR HB2 H 3.17 0.02 2 1015 107 107 TYR HB3 H 2.84 0.02 2 1016 107 107 TYR HD1 H 7.03 0.02 1 1017 107 107 TYR HE1 H 6.70 0.02 1 1018 107 107 TYR C C 177.0 0.3 1 1019 107 107 TYR CA C 57.0 0.3 1 1020 107 107 TYR CB C 40.2 0.3 1 1021 107 107 TYR CD1 C 133.2 0.3 1 1022 107 107 TYR CE1 C 118.6 0.3 1 1023 107 107 TYR N N 117.8 0.3 1 1024 108 108 ALA H H 9.64 0.02 1 1025 108 108 ALA HA H 4.20 0.02 1 1026 108 108 ALA HB H 1.47 0.02 1 1027 108 108 ALA C C 178.1 0.3 1 1028 108 108 ALA CA C 53.2 0.3 1 1029 108 108 ALA CB C 17.2 0.3 1 1030 108 108 ALA N N 126.5 0.3 1 1031 109 109 GLY H H 9.15 0.02 1 1032 109 109 GLY HA2 H 4.36 0.02 2 1033 109 109 GLY HA3 H 3.96 0.02 2 1034 109 109 GLY C C 173.7 0.3 1 1035 109 109 GLY CA C 46.3 0.3 1 1036 109 109 GLY N N 106.7 0.3 1 1037 110 110 THR H H 7.37 0.02 1 1038 110 110 THR HA H 5.31 0.02 1 1039 110 110 THR HB H 3.85 0.02 1 1040 110 110 THR HG2 H 1.06 0.02 1 1041 110 110 THR C C 174.1 0.3 1 1042 110 110 THR CA C 59.6 0.3 1 1043 110 110 THR CB C 73.2 0.3 1 1044 110 110 THR CG2 C 21.3 0.3 1 1045 110 110 THR N N 108.6 0.3 1 1046 111 111 LEU H H 7.89 0.02 1 1047 111 111 LEU HA H 4.65 0.02 1 1048 111 111 LEU HB2 H 1.47 0.02 2 1049 111 111 LEU HB3 H 0.91 0.02 2 1050 111 111 LEU HD1 H 0.59 0.02 1 1051 111 111 LEU HD2 H -0.26 0.02 1 1052 111 111 LEU HG H 0.94 0.02 1 1053 111 111 LEU C C 174.8 0.3 1 1054 111 111 LEU CA C 52.3 0.3 1 1055 111 111 LEU CB C 45.7 0.3 1 1056 111 111 LEU CD1 C 25.7 0.3 1 1057 111 111 LEU CD2 C 23.2 0.3 1 1058 111 111 LEU CG C 26.6 0.3 1 1059 111 111 LEU N N 116.4 0.3 1 1060 112 112 ALA H H 9.14 0.02 1 1061 112 112 ALA HA H 5.00 0.02 1 1062 112 112 ALA HB H 1.19 0.02 1 1063 112 112 ALA C C 178.2 0.3 1 1064 112 112 ALA CA C 50.2 0.3 1 1065 112 112 ALA CB C 20.5 0.3 1 1066 112 112 ALA N N 124.9 0.3 1 1067 113 113 VAL H H 8.74 0.02 1 1068 113 113 VAL HA H 5.20 0.02 1 1069 113 113 VAL HB H 1.99 0.02 1 1070 113 113 VAL HG1 H 1.03 0.02 1 1071 113 113 VAL HG2 H 0.98 0.02 1 1072 113 113 VAL C C 176.0 0.3 1 1073 113 113 VAL CA C 60.8 0.3 1 1074 113 113 VAL CB C 33.8 0.3 1 1075 113 113 VAL CG1 C 22.9 0.3 1 1076 113 113 VAL CG2 C 20.5 0.3 1 1077 113 113 VAL N N 124.9 0.3 1 1078 114 114 SER H H 8.95 0.02 1 1079 114 114 SER HA H 4.85 0.02 1 1080 114 114 SER HB2 H 3.96 0.02 2 1081 114 114 SER HB3 H 3.90 0.02 2 1082 114 114 SER C C 172.1 0.3 1 1083 114 114 SER CA C 57.3 0.3 1 1084 114 114 SER CB C 65.9 0.3 1 1085 114 114 SER N N 121.8 0.3 1 1086 115 115 VAL H H 8.54 0.02 1 1087 115 115 VAL HA H 5.23 0.02 1 1088 115 115 VAL HB H 1.98 0.02 1 1089 115 115 VAL HG1 H 1.15 0.02 1 1090 115 115 VAL HG2 H 1.03 0.02 1 1091 115 115 VAL C C 176.7 0.3 1 1092 115 115 VAL CA C 60.0 0.3 1 1093 115 115 VAL CB C 35.3 0.3 1 1094 115 115 VAL CG1 C 20.7 0.3 1 1095 115 115 VAL CG2 C 21.8 0.3 1 1096 115 115 VAL N N 119.3 0.3 1 1097 116 116 SER H H 9.11 0.02 1 1098 116 116 SER HA H 4.50 0.02 1 1099 116 116 SER HB2 H 4.08 0.02 2 1100 116 116 SER HB3 H 4.06 0.02 2 1101 116 116 SER C C 176.3 0.3 1 1102 116 116 SER CA C 58.7 0.3 1 1103 116 116 SER CB C 64.4 0.3 1 1104 116 116 SER N N 122.3 0.3 1 1105 117 117 ASP HA H 4.38 0.02 1 1106 117 117 ASP HB2 H 2.72 0.02 1 1107 117 117 ASP C C 177.5 0.3 1 1108 117 117 ASP CA C 57.5 0.3 1 1109 117 117 ASP CB C 40.1 0.3 1 1110 118 118 ASP H H 8.06 0.02 1 1111 118 118 ASP HA H 4.56 0.02 1 1112 118 118 ASP HB2 H 3.11 0.02 2 1113 118 118 ASP HB3 H 2.68 0.02 2 1114 118 118 ASP CA C 52.9 0.3 1 1115 118 118 ASP CB C 40.5 0.3 1 1116 118 118 ASP N N 115.0 0.3 1 1117 119 119 GLY H H 8.11 0.02 1 1118 119 119 GLY HA2 H 4.11 0.02 2 1119 119 119 GLY HA3 H 3.61 0.02 2 1120 119 119 GLY C C 174.9 0.3 1 1121 119 119 GLY CA C 46.0 0.3 1 1122 119 119 GLY N N 109.4 0.3 1 1123 120 120 THR H H 7.72 0.02 1 1124 120 120 THR HA H 4.22 0.02 1 1125 120 120 THR HB H 4.27 0.02 1 1126 120 120 THR HG2 H 1.07 0.02 1 1127 120 120 THR C C 175.6 0.3 1 1128 120 120 THR CA C 63.0 0.3 1 1129 120 120 THR CB C 70.8 0.3 1 1130 120 120 THR CG2 C 20.9 0.3 1 1131 120 120 THR N N 108.0 0.3 1 1132 121 121 ARG H H 7.76 0.02 1 1133 121 121 ARG HA H 5.20 0.02 1 1134 121 121 ARG HB2 H 1.52 0.02 2 1135 121 121 ARG HB3 H 1.15 0.02 2 1136 121 121 ARG HD2 H 3.07 0.02 2 1137 121 121 ARG HD3 H 2.81 0.02 2 1138 121 121 ARG HG2 H 1.54 0.02 2 1139 121 121 ARG HG3 H 1.34 0.02 2 1140 121 121 ARG C C 174.3 0.3 1 1141 121 121 ARG CA C 54.9 0.3 1 1142 121 121 ARG CB C 35.0 0.3 1 1143 121 121 ARG CD C 43.5 0.3 1 1144 121 121 ARG CG C 27.1 0.3 1 1145 121 121 ARG N N 123.5 0.3 1 1146 122 122 THR H H 9.07 0.02 1 1147 122 122 THR HA H 4.94 0.02 1 1148 122 122 THR HB H 3.87 0.02 1 1149 122 122 THR HG2 H 1.09 0.02 1 1150 122 122 THR C C 172.1 0.3 1 1151 122 122 THR CA C 61.5 0.3 1 1152 122 122 THR CB C 71.0 0.3 1 1153 122 122 THR CG2 C 21.1 0.3 1 1154 122 122 THR N N 117.9 0.3 1 1155 123 123 TYR H H 9.44 0.02 1 1156 123 123 TYR HA H 5.21 0.02 1 1157 123 123 TYR HB2 H 2.76 0.02 2 1158 123 123 TYR HB3 H 2.53 0.02 2 1159 123 123 TYR HD1 H 7.13 0.02 1 1160 123 123 TYR HE1 H 6.82 0.02 1 1161 123 123 TYR C C 174.4 0.3 1 1162 123 123 TYR CA C 56.3 0.3 1 1163 123 123 TYR CB C 40.9 0.3 1 1164 123 123 TYR CD1 C 133.5 0.3 1 1165 123 123 TYR CE1 C 118.2 0.3 1 1166 123 123 TYR N N 125.1 0.3 1 1167 124 124 LEU H H 8.21 0.02 1 1168 124 124 LEU HA H 5.14 0.02 1 1169 124 124 LEU HB2 H 1.24 0.02 2 1170 124 124 LEU HB3 H 1.20 0.02 2 1171 124 124 LEU HD1 H 0.63 0.02 1 1172 124 124 LEU HD2 H 0.56 0.02 1 1173 124 124 LEU HG H 1.29 0.02 1 1174 124 124 LEU C C 175.6 0.3 1 1175 124 124 LEU CA C 53.9 0.3 1 1176 124 124 LEU CB C 44.3 0.3 1 1177 124 124 LEU CD1 C 26.3 0.3 1 1178 124 124 LEU CD2 C 25.8 0.3 1 1179 124 124 LEU CG C 27.7 0.3 1 1180 124 124 LEU N N 121.5 0.3 1 1181 125 125 LYS H H 8.75 0.02 1 1182 125 125 LYS HA H 4.75 0.02 1 1183 125 125 LYS HB2 H 1.30 0.02 2 1184 125 125 LYS HB3 H 1.22 0.02 2 1185 125 125 LYS HD2 H 1.44 0.02 2 1186 125 125 LYS HD3 H 1.25 0.02 2 1187 125 125 LYS HE2 H 2.43 0.02 2 1188 125 125 LYS HE3 H 2.41 0.02 2 1189 125 125 LYS HG2 H 1.16 0.02 2 1190 125 125 LYS HG3 H 0.97 0.02 2 1191 125 125 LYS CA C 55.5 0.3 1 1192 125 125 LYS CB C 37.4 0.3 1 1193 125 125 LYS CD C 29.6 0.3 1 1194 125 125 LYS CE C 41.4 0.3 1 1195 125 125 LYS CG C 25.0 0.3 1 1196 125 125 LYS N N 119.6 0.3 1 1197 126 126 SER H H 8.05 0.02 1 1198 126 126 SER HA H 4.64 0.02 1 1199 126 126 SER HB2 H 3.87 0.02 2 1200 126 126 SER HB3 H 3.66 0.02 2 1201 126 126 SER C C 174.9 0.3 1 1202 126 126 SER CA C 55.4 0.3 1 1203 126 126 SER CB C 64.8 0.3 1 1204 126 126 SER N N 114.6 0.3 1 1205 127 127 TYR H H 9.12 0.02 1 1206 127 127 TYR HA H 4.65 0.02 1 1207 127 127 TYR HB2 H 1.23 0.02 2 1208 127 127 TYR HB3 H 1.21 0.02 2 1209 127 127 TYR HD1 H 6.91 0.02 1 1210 127 127 TYR HE1 H 6.63 0.02 1 1211 127 127 TYR C C 176.2 0.3 1 1212 127 127 TYR CA C 57.4 0.3 1 1213 127 127 TYR CB C 37.7 0.3 1 1214 127 127 TYR CD1 C 131.0 0.3 1 1215 127 127 TYR CE1 C 117.7 0.3 1 1216 127 127 TYR N N 125.2 0.3 1 1217 128 128 GLU H H 8.37 0.02 1 1218 128 128 GLU HA H 4.54 0.02 1 1219 128 128 GLU HB2 H 2.23 0.02 2 1220 128 128 GLU HB3 H 2.07 0.02 2 1221 128 128 GLU HG3 H 2.39 0.02 1 1222 128 128 GLU C C 176.4 0.3 1 1223 128 128 GLU CA C 56.7 0.3 1 1224 128 128 GLU CB C 30.5 0.3 1 1225 128 128 GLU CG C 34.0 0.3 1 1226 128 128 GLU N N 122.5 0.3 1 1227 129 129 THR H H 8.42 0.02 1 1228 129 129 THR HA H 4.96 0.02 1 1229 129 129 THR HB H 4.11 0.02 1 1230 129 129 THR HG2 H 1.11 0.02 1 1231 129 129 THR C C 175.6 0.3 1 1232 129 129 THR CA C 59.5 0.3 1 1233 129 129 THR CB C 71.5 0.3 1 1234 129 129 THR CG2 C 21.6 0.3 1 1235 129 129 THR N N 114.9 0.3 1 1236 130 130 ASP H H 8.16 0.02 1 1237 130 130 ASP HA H 4.82 0.02 1 1238 130 130 ASP HB2 H 2.93 0.02 2 1239 130 130 ASP HB3 H 2.80 0.02 2 1240 130 130 ASP C C 178.7 0.3 1 1241 130 130 ASP CA C 52.2 0.3 1 1242 130 130 ASP CB C 41.2 0.3 1 1243 130 130 ASP N N 122.7 0.3 1 1244 131 131 ALA H H 8.44 0.02 1 1245 131 131 ALA HA H 4.20 0.02 1 1246 131 131 ALA HB H 1.50 0.02 1 1247 131 131 ALA C C 178.8 0.3 1 1248 131 131 ALA CA C 54.8 0.3 1 1249 131 131 ALA CB C 18.3 0.3 1 1250 131 131 ALA N N 121.2 0.3 1 1251 132 132 GLU H H 8.03 0.02 1 1252 132 132 GLU HA H 4.47 0.02 1 1253 132 132 GLU HB2 H 2.29 0.02 2 1254 132 132 GLU HB3 H 1.99 0.02 2 1255 132 132 GLU HG2 H 2.23 0.02 2 1256 132 132 GLU HG3 H 2.07 0.02 2 1257 132 132 GLU C C 176.8 0.3 1 1258 132 132 GLU CA C 55.7 0.3 1 1259 132 132 GLU CB C 29.5 0.3 1 1260 132 132 GLU CG C 36.4 0.3 1 1261 132 132 GLU N N 116.8 0.3 1 1262 133 133 GLY H H 8.16 0.02 1 1263 133 133 GLY HA2 H 4.28 0.02 2 1264 133 133 GLY HA3 H 3.75 0.02 2 1265 133 133 GLY C C 174.5 0.3 1 1266 133 133 GLY CA C 46.0 0.3 1 1267 133 133 GLY N N 108.9 0.3 1 1268 134 134 ARG H H 8.74 0.02 1 1269 134 134 ARG HA H 4.98 0.02 1 1270 134 134 ARG HB2 H 2.23 0.02 2 1271 134 134 ARG HB3 H 1.57 0.02 2 1272 134 134 ARG HD2 H 3.33 0.02 2 1273 134 134 ARG HD3 H 2.76 0.02 2 1274 134 134 ARG HG3 H 1.46 0.02 1 1275 134 134 ARG C C 177.3 0.3 1 1276 134 134 ARG CA C 55.8 0.3 1 1277 134 134 ARG CB C 31.5 0.3 1 1278 134 134 ARG CD C 43.4 0.3 1 1279 134 134 ARG CG C 26.8 0.3 1 1280 134 134 ARG N N 122.4 0.3 1 1281 135 135 SER H H 9.21 0.02 1 1282 135 135 SER HA H 5.02 0.02 1 1283 135 135 SER HB2 H 3.83 0.02 2 1284 135 135 SER HB3 H 3.65 0.02 2 1285 135 135 SER C C 172.8 0.3 1 1286 135 135 SER CA C 57.1 0.3 1 1287 135 135 SER CB C 66.8 0.3 1 1288 135 135 SER N N 118.4 0.3 1 1289 136 136 PHE H H 9.11 0.02 1 1290 136 136 PHE HA H 5.10 0.02 1 1291 136 136 PHE HB2 H 3.24 0.02 2 1292 136 136 PHE HB3 H 2.89 0.02 2 1293 136 136 PHE C C 174.1 0.3 1 1294 136 136 PHE CA C 58.4 0.3 1 1295 136 136 PHE CB C 41.3 0.3 1 1296 136 136 PHE N N 124.7 0.3 1 1297 137 137 GLU H H 7.57 0.02 1 1298 137 137 GLU HA H 4.62 0.02 1 1299 137 137 GLU HB2 H 1.89 0.02 2 1300 137 137 GLU HB3 H 1.51 0.02 2 1301 137 137 GLU HG2 H 1.68 0.02 2 1302 137 137 GLU HG3 H 1.79 0.02 2 1303 137 137 GLU C C 173.1 0.3 1 1304 137 137 GLU CA C 55.2 0.3 1 1305 137 137 GLU CB C 34.5 0.3 1 1306 137 137 GLU CG C 37.4 0.3 1 1307 137 137 GLU N N 126.5 0.3 1 1308 138 138 VAL H H 8.38 0.02 1 1309 138 138 VAL HA H 3.96 0.02 1 1310 138 138 VAL HB H 1.24 0.02 1 1311 138 138 VAL HG1 H 0.51 0.02 1 1312 138 138 VAL HG2 H 0.40 0.02 1 1313 138 138 VAL C C 172.1 0.3 1 1314 138 138 VAL CA C 60.9 0.3 1 1315 138 138 VAL CB C 34.9 0.3 1 1316 138 138 VAL CG1 C 20.8 0.3 1 1317 138 138 VAL CG2 C 22.8 0.3 1 1318 138 138 VAL N N 123.0 0.3 1 1319 139 139 SER H H 8.02 0.02 1 1320 139 139 SER HA H 5.27 0.02 1 1321 139 139 SER HB2 H 3.52 0.02 1 1322 139 139 SER C C 172.4 0.3 1 1323 139 139 SER CA C 56.3 0.3 1 1324 139 139 SER CB C 66.6 0.3 1 1325 139 139 SER N N 120.2 0.3 1 1326 140 140 LEU H H 9.35 0.02 1 1327 140 140 LEU HA H 5.03 0.02 1 1328 140 140 LEU HB2 H 1.62 0.02 2 1329 140 140 LEU HB3 H 1.42 0.02 2 1330 140 140 LEU HD1 H 0.37 0.02 1 1331 140 140 LEU HD2 H 0.08 0.02 1 1332 140 140 LEU HG H 1.28 0.02 1 1333 140 140 LEU C C 175.5 0.3 1 1334 140 140 LEU CA C 53.9 0.3 1 1335 140 140 LEU CB C 44.4 0.3 1 1336 140 140 LEU CD1 C 25.3 0.3 1 1337 140 140 LEU CD2 C 26.9 0.3 1 1338 140 140 LEU CG C 28.5 0.3 1 1339 140 140 LEU N N 123.5 0.3 1 1340 141 141 GLN H H 8.12 0.02 1 1341 141 141 GLN HA H 4.34 0.02 1 1342 141 141 GLN HB2 H 2.37 0.02 2 1343 141 141 GLN HB3 H 2.11 0.02 2 1344 141 141 GLN HE21 H 6.95 0.02 1 1345 141 141 GLN HE22 H 7.75 0.02 1 1346 141 141 GLN HG2 H 2.54 0.02 2 1347 141 141 GLN HG3 H 2.37 0.02 2 1348 141 141 GLN C C 176.1 0.3 1 1349 141 141 GLN CA C 57.7 0.3 1 1350 141 141 GLN CB C 29.1 0.3 1 1351 141 141 GLN CG C 34.1 0.3 1 1352 141 141 GLN N N 122.4 0.3 1 1353 141 141 GLN NE2 N 112.9 0.3 1 1354 142 142 GLY H H 8.53 0.02 1 1355 142 142 GLY HA2 H 4.26 0.02 2 1356 142 142 GLY HA3 H 3.53 0.02 2 1357 142 142 GLY C C 171.4 0.3 1 1358 142 142 GLY CA C 43.7 0.3 1 1359 142 142 GLY N N 117.1 0.3 1 1360 143 143 ASN H H 8.03 0.02 1 1361 143 143 ASN HA H 4.35 0.02 1 1362 143 143 ASN HB2 H 2.94 0.02 2 1363 143 143 ASN HB3 H 2.68 0.02 2 1364 143 143 ASN HD21 H 6.90 0.02 1 1365 143 143 ASN HD22 H 7.62 0.02 1 1366 143 143 ASN C C 175.5 0.3 1 1367 143 143 ASN CA C 51.0 0.3 1 1368 143 143 ASN CB C 37.2 0.3 1 1369 143 143 ASN N N 116.1 0.3 1 1370 143 143 ASN ND2 N 110.1 0.3 1 1371 144 144 HIS H H 8.49 0.02 1 1372 144 144 HIS HA H 5.00 0.02 1 1373 144 144 HIS HB2 H 3.44 0.02 2 1374 144 144 HIS HB3 H 2.19 0.02 2 1375 144 144 HIS HD2 H 6.44 0.02 1 1376 144 144 HIS HE1 H 6.05 0.02 1 1377 144 144 HIS C C 176.9 0.3 1 1378 144 144 HIS CA C 54.8 0.3 1 1379 144 144 HIS CB C 33.3 0.3 1 1380 144 144 HIS CD2 C 117.5 0.3 1 1381 144 144 HIS CE1 C 129.6 0.3 1 1382 144 144 HIS N N 121.5 0.3 1 1383 145 145 ALA H H 7.42 0.02 1 1384 145 145 ALA HA H 3.77 0.02 1 1385 145 145 ALA HB H 1.40 0.02 1 1386 145 145 ALA C C 178.7 0.3 1 1387 145 145 ALA CA C 56.4 0.3 1 1388 145 145 ALA CB C 18.8 0.3 1 1389 145 145 ALA N N 122.8 0.3 1 1390 146 146 ALA H H 8.58 0.02 1 1391 146 146 ALA HA H 4.36 0.02 1 1392 146 146 ALA HB H 1.40 0.02 1 1393 146 146 ALA C C 177.9 0.3 1 1394 146 146 ALA CA C 53.1 0.3 1 1395 146 146 ALA CB C 18.4 0.3 1 1396 146 146 ALA N N 117.3 0.3 1 1397 147 147 ALA H H 7.58 0.02 1 1398 147 147 ALA HA H 4.54 0.02 1 1399 147 147 ALA HB H 1.56 0.02 1 1400 147 147 ALA C C 178.3 0.3 1 1401 147 147 ALA CA C 51.8 0.3 1 1402 147 147 ALA CB C 21.2 0.3 1 1403 147 147 ALA N N 119.7 0.3 1 1404 148 148 LEU H H 7.12 0.02 1 1405 148 148 LEU HA H 5.04 0.02 1 1406 148 148 LEU HB2 H 1.86 0.02 2 1407 148 148 LEU HB3 H 1.38 0.02 2 1408 148 148 LEU HD1 H 0.69 0.02 1 1409 148 148 LEU HD2 H 0.67 0.02 1 1410 148 148 LEU HG H 2.05 0.02 1 1411 148 148 LEU C C 176.1 0.3 1 1412 148 148 LEU CA C 55.3 0.3 1 1413 148 148 LEU CB C 42.2 0.3 1 1414 148 148 LEU CD1 C 26.9 0.3 1 1415 148 148 LEU CD2 C 22.9 0.3 1 1416 148 148 LEU CG C 26.4 0.3 1 1417 148 148 LEU N N 121.4 0.3 1 1418 149 149 SER H H 9.47 0.02 1 1419 149 149 SER HA H 4.75 0.02 1 1420 149 149 SER HB2 H 4.25 0.02 2 1421 149 149 SER HB3 H 4.04 0.02 2 1422 149 149 SER C C 173.5 0.3 1 1423 149 149 SER CA C 57.7 0.3 1 1424 149 149 SER CB C 66.7 0.3 1 1425 149 149 SER N N 119.4 0.3 1 1426 150 150 ALA H H 8.85 0.02 1 1427 150 150 ALA HA H 4.98 0.02 1 1428 150 150 ALA HB H 1.76 0.02 1 1429 150 150 ALA C C 177.0 0.3 1 1430 150 150 ALA CA C 53.7 0.3 1 1431 150 150 ALA CB C 18.2 0.3 1 1432 150 150 ALA N N 120.3 0.3 1 1433 151 151 ASP H H 8.48 0.02 1 1434 151 151 ASP HA H 4.63 0.02 1 1435 151 151 ASP HB2 H 2.69 0.02 2 1436 151 151 ASP HB3 H 2.45 0.02 2 1437 151 151 ASP C C 177.4 0.3 1 1438 151 151 ASP CA C 56.5 0.3 1 1439 151 151 ASP CB C 41.3 0.3 1 1440 151 151 ASP N N 116.1 0.3 1 1441 152 152 ASN H H 7.63 0.02 1 1442 152 152 ASN HA H 4.85 0.02 1 1443 152 152 ASN HB2 H 2.92 0.02 1 1444 152 152 ASN HD21 H 6.96 0.02 1 1445 152 152 ASN HD22 H 7.70 0.02 1 1446 152 152 ASN CA C 52.3 0.3 1 1447 152 152 ASN CB C 39.0 0.3 1 1448 152 152 ASN N N 114.1 0.3 1 1449 152 152 ASN ND2 N 113.9 0.3 1 1450 153 153 ILE H H 7.57 0.02 1 1451 153 153 ILE HA H 4.65 0.02 1 1452 153 153 ILE HB H 1.27 0.02 1 1453 153 153 ILE HD1 H 0.74 0.02 1 1454 153 153 ILE HG12 H 0.58 0.02 2 1455 153 153 ILE HG13 H 0.64 0.02 2 1456 153 153 ILE HG2 H -0.25 0.02 1 1457 153 153 ILE C C 174.3 0.3 1 1458 153 153 ILE CA C 60.5 0.3 1 1459 153 153 ILE CB C 40.3 0.3 1 1460 153 153 ILE CD1 C 15.8 0.3 1 1461 153 153 ILE CG1 C 25.6 0.3 1 1462 153 153 ILE CG2 C 17.6 0.3 1 1463 153 153 ILE N N 120.4 0.3 1 1464 154 154 LEU H H 8.79 0.02 1 1465 154 154 LEU HA H 4.46 0.02 1 1466 154 154 LEU HB2 H 1.82 0.02 2 1467 154 154 LEU HB3 H 1.54 0.02 2 1468 154 154 LEU HD1 H 0.88 0.02 1 1469 154 154 LEU HD2 H 0.84 0.02 1 1470 154 154 LEU HG H 1.54 0.02 1 1471 154 154 LEU C C 174.8 0.3 1 1472 154 154 LEU CA C 53.7 0.3 1 1473 154 154 LEU CB C 41.0 0.3 1 1474 154 154 LEU CD1 C 25.4 0.3 1 1475 154 154 LEU CD2 C 23.5 0.3 1 1476 154 154 LEU CG C 27.1 0.3 1 1477 154 154 LEU N N 125.2 0.3 1 1478 155 155 PHE H H 8.20 0.02 1 1479 155 155 PHE HA H 4.40 0.02 1 1480 155 155 PHE HB2 H 3.42 0.02 2 1481 155 155 PHE HB3 H 2.69 0.02 2 1482 155 155 PHE HD1 H 7.17 0.02 1 1483 155 155 PHE HE1 H 6.88 0.02 1 1484 155 155 PHE C C 176.4 0.3 1 1485 155 155 PHE CA C 58.6 0.3 1 1486 155 155 PHE CB C 41.0 0.3 1 1487 155 155 PHE CD1 C 133.4 0.3 1 1488 155 155 PHE CE1 C 130.0 0.3 1 1489 155 155 PHE N N 122.5 0.3 1 1490 156 156 ALA H H 8.55 0.02 1 1491 156 156 ALA HA H 4.45 0.02 1 1492 156 156 ALA HB H 1.30 0.02 1 1493 156 156 ALA C C 177.1 0.3 1 1494 156 156 ALA CA C 51.9 0.3 1 1495 156 156 ALA CB C 19.6 0.3 1 1496 156 156 ALA N N 121.6 0.3 1 1497 157 157 THR H H 8.34 0.02 1 1498 157 157 THR HA H 4.59 0.02 1 1499 157 157 THR HB H 4.14 0.02 1 1500 157 157 THR HG2 H 1.31 0.02 1 1501 157 157 THR C C 173.0 0.3 1 1502 157 157 THR CA C 59.8 0.3 1 1503 157 157 THR CB C 69.7 0.3 1 1504 157 157 THR CG2 C 21.5 0.3 1 1505 157 157 THR N N 117.3 0.3 1 1506 158 158 PRO HA H 4.84 0.02 1 1507 158 158 PRO HB2 H 2.16 0.02 2 1508 158 158 PRO HB3 H 2.36 0.02 2 1509 158 158 PRO HD2 H 3.57 0.02 2 1510 158 158 PRO HD3 H 3.42 0.02 2 1511 158 158 PRO HG2 H 1.87 0.02 2 1512 158 158 PRO HG3 H 1.85 0.02 2 1513 158 158 PRO C C 176.8 0.3 1 1514 158 158 PRO CA C 63.1 0.3 1 1515 158 158 PRO CB C 34.1 0.3 1 1516 158 158 PRO CD C 50.3 0.3 1 1517 158 158 PRO CG C 24.8 0.3 1 1518 160 160 PRO HA H 4.45 0.02 1 1519 160 160 PRO HB2 H 2.30 0.02 2 1520 160 160 PRO HB3 H 1.95 0.02 2 1521 160 160 PRO HD2 H 3.80 0.02 2 1522 160 160 PRO HD3 H 3.80 0.02 2 1523 160 160 PRO HG2 H 2.06 0.02 1 1524 160 160 PRO C C 176.6 0.3 1 1525 160 160 PRO CA C 63.5 0.3 1 1526 160 160 PRO CB C 32.0 0.3 1 1527 160 160 PRO CD C 50.9 0.3 1 1528 160 160 PRO CG C 27.2 0.3 1 1529 161 161 VAL H H 8.21 0.02 1 1530 161 161 VAL HA H 4.39 0.02 1 1531 161 161 VAL HB H 2.07 0.02 1 1532 161 161 VAL HG1 H 1.00 0.02 1 1533 161 161 VAL C C 174.8 0.3 1 1534 161 161 VAL CA C 60.0 0.3 1 1535 161 161 VAL CB C 32.4 0.3 1 1536 161 161 VAL CG1 C 21.1 0.3 1 1537 161 161 VAL N N 123.2 0.3 1 stop_ save_