data_6390 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the R-module from the Azotobacter vinelandii mannuronan C5-epimerase AlgE4 ; _BMRB_accession_number 6390 _BMRB_flat_file_name bmr6390.str _Entry_type original _Submission_date 2004-11-15 _Accession_date 2004-11-15 _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 Aachmann Finn L. . 2 Svanem 'Britt Iren' Glarum . 3 Valla Svein . . 4 Petersen Steffen Bjorn . 5 Wimmer Reinhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 748 "13C chemical shifts" 571 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-08 original author . stop_ _Original_release_date 2005-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignment of the R-module from the Azotobacter vinelandii mannuronan C5-epimerase AlgE4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aachmann Finn L. . 2 Svanem 'Britt Iren' Glaerum . 3 Valla Svein . . 4 Petersen Steffen Bjorn . 5 Wimmer Reinhard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 259 _Page_last 259 _Year 2005 _Details . loop_ _Keyword Alginate 'Azotobacter vinelandii' R-module 'Mannuronan C5-epimerase' stop_ save_ ################################## # Molecular system description # ################################## save_system_R-module _Saveframe_category molecular_system _Mol_system_name R-module _Abbreviation_common R-module _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label R-module $R-module 'CALCIUM (II) ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_R-module _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common R-module _Abbreviation_common R-module _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GSDGEPLVGGDTDDQLQGGS GADRLDGGAGDDILDGGAGR DRLSGGAGADTFVFSAREDS YRTDTAVFNDLILDFEASED RIDLSALGFSGLGDGYGGTL LLKTNAEGTRTYLKSFEADA EGRRFEVALDGDHTGDLSAA NVVFAATGTTTELEVLGDSG TQAGAIV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 GLY 5 GLU 6 PRO 7 LEU 8 VAL 9 GLY 10 GLY 11 ASP 12 THR 13 ASP 14 ASP 15 GLN 16 LEU 17 GLN 18 GLY 19 GLY 20 SER 21 GLY 22 ALA 23 ASP 24 ARG 25 LEU 26 ASP 27 GLY 28 GLY 29 ALA 30 GLY 31 ASP 32 ASP 33 ILE 34 LEU 35 ASP 36 GLY 37 GLY 38 ALA 39 GLY 40 ARG 41 ASP 42 ARG 43 LEU 44 SER 45 GLY 46 GLY 47 ALA 48 GLY 49 ALA 50 ASP 51 THR 52 PHE 53 VAL 54 PHE 55 SER 56 ALA 57 ARG 58 GLU 59 ASP 60 SER 61 TYR 62 ARG 63 THR 64 ASP 65 THR 66 ALA 67 VAL 68 PHE 69 ASN 70 ASP 71 LEU 72 ILE 73 LEU 74 ASP 75 PHE 76 GLU 77 ALA 78 SER 79 GLU 80 ASP 81 ARG 82 ILE 83 ASP 84 LEU 85 SER 86 ALA 87 LEU 88 GLY 89 PHE 90 SER 91 GLY 92 LEU 93 GLY 94 ASP 95 GLY 96 TYR 97 GLY 98 GLY 99 THR 100 LEU 101 LEU 102 LEU 103 LYS 104 THR 105 ASN 106 ALA 107 GLU 108 GLY 109 THR 110 ARG 111 THR 112 TYR 113 LEU 114 LYS 115 SER 116 PHE 117 GLU 118 ALA 119 ASP 120 ALA 121 GLU 122 GLY 123 ARG 124 ARG 125 PHE 126 GLU 127 VAL 128 ALA 129 LEU 130 ASP 131 GLY 132 ASP 133 HIS 134 THR 135 GLY 136 ASP 137 LEU 138 SER 139 ALA 140 ALA 141 ASN 142 VAL 143 VAL 144 PHE 145 ALA 146 ALA 147 THR 148 GLY 149 THR 150 THR 151 THR 152 GLU 153 LEU 154 GLU 155 VAL 156 LEU 157 GLY 158 ASP 159 SER 160 GLY 161 THR 162 GLN 163 ALA 164 GLY 165 ALA 166 ILE 167 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2AGM "Solution Structure Of The R-Module From Alge4" 100.00 167 100.00 100.00 8.12e-106 GB AAA87310 "mannuronan C-5-epimerase [Azotobacter vinelandii]" 100.00 553 100.00 100.00 1.07e-102 GB ACO81204 "Secreted mannuronan C-5 epimerase [Azotobacter vinelandii DJ]" 100.00 553 98.80 98.80 2.58e-101 GB ADG44967 "IntC-R-H6 [Expression vector pSABAD92A]" 88.02 196 100.00 100.00 2.19e-92 GB AGK13234 "Secreted mannuronan C-5 epimerase [Azotobacter vinelandii CA]" 100.00 553 98.80 98.80 2.58e-101 GB AGK17521 "Secreted mannuronan C-5 epimerase [Azotobacter vinelandii CA6]" 100.00 553 98.80 98.80 2.58e-101 REF WP_012703557 "poly(beta-D-mannuronate) C5 epimerase 4 [Azotobacter vinelandii]" 100.00 553 98.80 98.80 2.58e-101 REF YP_002802179 "secreted mannuronan C-5 epimerase [Azotobacter vinelandii DJ]" 100.00 553 98.80 98.80 2.58e-101 REF YP_007895988 "Secreted mannuronan C-5 epimerase [Azotobacter vinelandii CA]" 100.00 553 98.80 98.80 2.58e-101 REF YP_007900994 "Secreted mannuronan C-5 epimerase [Azotobacter vinelandii CA6]" 100.00 553 98.80 98.80 2.58e-101 SP Q44493 "RecName: Full=Poly(beta-D-mannuronate) C5 epimerase 4; AltName: Full=Mannuronan epimerase 4 [Azotobacter vinelandii]" 100.00 553 100.00 100.00 1.07e-102 stop_ 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 . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011 ; 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 . _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 $R-module 'Azotobacter vinelandii' 354 Bacteria . Azotobacter vinelandii stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $R-module 'recombinant technology' 'E. coli' Escherichia coli ER2566 plasmid pTYB11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '95 % H2O, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $R-module 1.6 mM '[U-99% 13C; U-99% 15N]' $CA 1.6 mM . CaCl2 50 mM . Na-HEPES 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $R-module . mM 0.8 1.1 '[U-99% 13C; U-99% 15N]' $CA . mM 0.8 1.1 . CaCl2 50 mM . . . Na-HEPES 20 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'Bruker DRX600 spectrometer equipped with a 5-mm xyz-grad TXI(H/C/N) probe.' save_ ############################# # NMR applied experiments # ############################# save_Aromatic_side-chain_atoms_were_assigned_from_a_series_of_2D_H(CC)H-COSY,_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Aromatic side-chain atoms were assigned from a series of 2D H(CC)H-COSY, TOCSY' _Sample_label . save_ save_and_NOESY_experiments_optimized_for_aromatic_signals._2 _Saveframe_category NMR_applied_experiment _Experiment_name 'and NOESY experiments optimized for aromatic signals.' _Sample_label . save_ save_Due_to_the_high_content_of_Glycine_and_Alanine_residues,_MUSIC_spectra_have_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Due to the high content of Glycine and Alanine residues, MUSIC spectra have' _Sample_label . save_ save_been_very_helpful_to_identify_Gly/Ala_residues_and_residues_following_after_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'been very helpful to identify Gly/Ala residues and residues following after' _Sample_label . save_ save_Gly/Ala._5 _Saveframe_category NMR_applied_experiment _Experiment_name Gly/Ala. _Sample_label . save_ ####################### # Sample conditions # ####################### save_ex-rm _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.1 n/a temperature 298 0.2 K 'ionic strength' 0.17 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_rm_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $ex-rm _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name R-module _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 45.1 0.1 1 2 . 1 GLY HA2 H 4.05 0.02 2 3 . 1 GLY HA3 H 4.03 0.02 2 4 . 2 SER N N 116.3 0.1 1 5 . 2 SER H H 8.30 0.02 1 6 . 2 SER CA C 58.5 0.1 1 7 . 2 SER HA H 4.56 0.02 1 8 . 2 SER CB C 63.5 0.1 1 9 . 2 SER HB2 H 3.90 0.02 2 10 . 2 SER C C 174.4 0.1 1 11 . 3 ASP N N 122.9 0.1 1 12 . 3 ASP H H 8.48 0.02 1 13 . 3 ASP CA C 54.7 0.1 1 14 . 3 ASP HA H 4.67 0.02 1 15 . 3 ASP CB C 41.3 0.1 1 16 . 3 ASP HB2 H 2.73 0.02 2 17 . 3 ASP HB3 H 2.70 0.02 2 18 . 3 ASP C C 175.3 0.1 1 19 . 4 GLY N N 109.7 0.1 1 20 . 4 GLY H H 8.21 0.02 1 21 . 4 GLY CA C 45.1 0.1 1 22 . 4 GLY HA2 H 4.01 0.02 2 23 . 4 GLY HA3 H 3.97 0.02 2 24 . 4 GLY C C 176.5 0.1 1 25 . 5 GLU N N 122.7 0.1 1 26 . 5 GLU H H 8.37 0.02 1 27 . 5 GLU CA C 54.1 0.1 1 28 . 5 GLU HA H 4.72 0.02 1 29 . 5 GLU CB C 30.1 0.1 1 30 . 5 GLU HB2 H 2.09 0.02 2 31 . 5 GLU HB3 H 1.94 0.02 2 32 . 5 GLU CG C 35.7 0.1 1 33 . 5 GLU HG2 H 2.30 0.02 2 34 . 5 GLU C C 173.8 0.1 1 35 . 6 PRO CD C 50.3 0.1 1 36 . 6 PRO CA C 62.7 0.1 1 37 . 6 PRO HA H 4.78 0.02 1 38 . 6 PRO CB C 31.9 0.1 1 39 . 6 PRO HB2 H 2.13 0.02 2 40 . 6 PRO HB3 H 1.85 0.02 2 41 . 6 PRO CG C 27.2 0.1 1 42 . 6 PRO HG2 H 2.15 0.02 2 43 . 6 PRO HG3 H 2.00 0.02 2 44 . 6 PRO HD2 H 3.88 0.02 2 45 . 6 PRO HD3 H 3.78 0.02 2 46 . 7 LEU N N 126.0 0.1 1 47 . 7 LEU H H 8.74 0.02 1 48 . 7 LEU CA C 54.7 0.1 1 49 . 7 LEU HA H 4.57 0.02 1 50 . 7 LEU CB C 42.4 0.1 1 51 . 7 LEU HB2 H 1.73 0.02 2 52 . 7 LEU HB3 H 1.60 0.02 2 53 . 7 LEU CG C 22.8 0.1 1 54 . 7 LEU HG H 1.27 0.02 1 55 . 7 LEU HD1 H 0.92 0.02 2 56 . 7 LEU HD2 H 0.85 0.02 2 57 . 7 LEU CD1 C 24.6 0.1 1 58 . 7 LEU CD2 C 24.6 0.1 1 59 . 7 LEU C C 176.1 0.1 1 60 . 8 VAL N N 123.6 0.1 1 61 . 8 VAL H H 8.01 0.02 1 62 . 8 VAL CA C 60.6 0.1 1 63 . 8 VAL HA H 4.71 0.02 1 64 . 8 VAL CB C 33.4 0.1 1 65 . 8 VAL HB H 2.00 0.02 1 66 . 8 VAL HG1 H 1.03 0.02 2 67 . 8 VAL HG2 H 0.92 0.02 2 68 . 8 VAL CG1 C 21.0 0.1 1 69 . 8 VAL CG2 C 20.5 0.1 1 70 . 8 VAL C C 174.5 0.1 1 71 . 9 GLY N N 114.9 0.1 1 72 . 9 GLY H H 9.02 0.02 1 73 . 9 GLY CA C 43.3 0.1 1 74 . 9 GLY HA2 H 4.17 0.02 2 75 . 9 GLY HA3 H 3.75 0.02 2 76 . 9 GLY C C 177.0 0.1 1 77 . 11 ASP CA C 56.2 0.1 1 78 . 11 ASP HA H 4.25 0.02 1 79 . 11 ASP CB C 39.8 0.1 1 80 . 11 ASP HB2 H 2.74 0.02 2 81 . 11 ASP HB3 H 2.61 0.02 2 82 . 12 THR N N 106.7 0.1 1 83 . 12 THR H H 7.36 0.02 1 84 . 12 THR CA C 59.7 0.1 1 85 . 12 THR HA H 4.21 0.02 1 86 . 12 THR CB C 70.0 0.1 1 87 . 12 THR HB H 4.32 0.02 1 88 . 12 THR HG2 H 1.19 0.02 1 89 . 12 THR CG2 C 22.5 0.1 1 90 . 12 THR C C 174.7 0.1 1 91 . 13 ASP N N 126.4 0.1 1 92 . 13 ASP H H 8.65 0.02 1 93 . 13 ASP CA C 54.7 0.1 1 94 . 13 ASP HA H 4.14 0.02 1 95 . 13 ASP CB C 39.2 0.1 1 96 . 13 ASP HB2 H 2.88 0.02 2 97 . 13 ASP HB3 H 2.71 0.02 2 98 . 13 ASP C C 173.8 0.1 1 99 . 14 ASP N N 126.8 0.1 1 100 . 14 ASP H H 9.57 0.02 1 101 . 14 ASP CA C 54.4 0.1 1 102 . 14 ASP HA H 4.94 0.02 1 103 . 14 ASP CB C 44.8 0.1 1 104 . 14 ASP HB2 H 2.57 0.02 2 105 . 14 ASP HB3 H 2.51 0.02 2 106 . 14 ASP C C 174.3 0.1 1 107 . 15 GLN N N 122.8 0.1 1 108 . 15 GLN H H 8.67 0.02 1 109 . 15 GLN CA C 55.0 0.1 1 110 . 15 GLN HA H 5.02 0.02 1 111 . 15 GLN CB C 28.4 0.1 1 112 . 15 GLN HB2 H 2.02 0.02 2 113 . 15 GLN HB3 H 1.96 0.02 2 114 . 15 GLN CG C 33.4 0.1 1 115 . 15 GLN HG2 H 2.25 0.02 2 116 . 15 GLN HG3 H 2.18 0.02 2 117 . 15 GLN NE2 N 111.8 0.1 1 118 . 15 GLN HE21 H 6.60 0.02 2 119 . 15 GLN HE22 H 7.35 0.02 2 120 . 15 GLN C C 174.9 0.1 1 121 . 16 LEU N N 126.0 0.1 1 122 . 16 LEU H H 8.87 0.02 1 123 . 16 LEU CA C 53.6 0.1 1 124 . 16 LEU HA H 4.67 0.02 1 125 . 16 LEU CB C 44.2 0.1 1 126 . 16 LEU HB2 H 1.74 0.02 2 127 . 16 LEU HB3 H 1.12 0.02 2 128 . 16 LEU CG C 27.2 0.1 1 129 . 16 LEU HG H 1.41 0.02 1 130 . 16 LEU HD1 H 0.69 0.02 2 131 . 16 LEU HD2 H 0.66 0.02 2 132 . 16 LEU CD1 C 26.0 0.1 1 133 . 16 LEU CD2 C 26.0 0.1 1 134 . 16 LEU C C 174.5 0.1 1 135 . 17 GLN N N 125.7 0.1 1 136 . 17 GLN H H 8.51 0.02 1 137 . 17 GLN CA C 53.2 0.1 1 138 . 17 GLN HA H 5.16 0.02 1 139 . 17 GLN CB C 31.0 0.1 1 140 . 17 GLN HB2 H 2.00 0.02 2 141 . 17 GLN HB3 H 1.90 0.02 2 142 . 17 GLN CG C 33.6 0.1 1 143 . 17 GLN HG2 H 2.31 0.02 2 144 . 17 GLN HG3 H 2.25 0.02 2 145 . 17 GLN NE2 N 113.2 0.1 1 146 . 17 GLN HE21 H 7.48 0.02 2 147 . 17 GLN HE22 H 6.47 0.02 2 148 . 17 GLN C C 174.4 0.1 1 149 . 18 GLY N N 112.3 0.1 1 150 . 18 GLY H H 9.22 0.02 1 151 . 18 GLY CA C 43.6 0.1 1 152 . 18 GLY HA2 H 4.16 0.02 2 153 . 18 GLY HA3 H 3.75 0.02 2 154 . 18 GLY C C 175.6 0.1 1 155 . 19 GLY N N 108.1 0.1 1 156 . 19 GLY H H 8.01 0.02 1 157 . 19 GLY CA C 43.9 0.1 1 158 . 19 GLY HA2 H 4.69 0.02 2 159 . 19 GLY HA3 H 3.88 0.02 2 160 . 19 GLY C C 173.6 0.1 1 161 . 20 SER CA C 60.0 0.1 1 162 . 20 SER HA H 4.14 0.02 1 163 . 20 SER CB C 62.9 0.1 1 164 . 20 SER HB2 H 3.97 0.02 2 165 . 20 SER HB3 H 3.90 0.02 2 166 . 21 GLY N N 109.6 0.1 1 167 . 21 GLY H H 8.54 0.02 1 168 . 21 GLY CA C 43.3 0.1 1 169 . 21 GLY HA2 H 4.39 0.02 2 170 . 21 GLY HA3 H 3.64 0.02 2 171 . 21 GLY C C 173.6 0.1 1 172 . 22 ALA N N 127.4 0.1 1 173 . 22 ALA H H 8.46 0.02 1 174 . 22 ALA CA C 52.4 0.1 1 175 . 22 ALA HA H 4.34 0.02 1 176 . 22 ALA HB H 1.47 0.02 1 177 . 22 ALA CB C 18.2 0.1 1 178 . 22 ALA C C 172.7 0.1 1 179 . 23 ASP N N 125.3 0.1 1 180 . 23 ASP H H 8.96 0.02 1 181 . 23 ASP CA C 54.1 0.1 1 182 . 23 ASP HA H 5.10 0.02 1 183 . 23 ASP CB C 45.4 0.1 1 184 . 23 ASP HB2 H 2.61 0.02 2 185 . 23 ASP C C 176.2 0.1 1 186 . 24 ARG CA C 54.7 0.1 1 187 . 24 ARG HA H 5.22 0.02 1 188 . 24 ARG CB C 31.3 0.1 1 189 . 24 ARG HB2 H 1.84 0.02 2 190 . 24 ARG HB3 H 1.64 0.02 2 191 . 24 ARG CG C 27.5 0.1 1 192 . 24 ARG HG2 H 1.55 0.02 2 193 . 24 ARG CD C 43.3 0.1 1 194 . 24 ARG HD2 H 3.24 0.02 2 195 . 24 ARG HD3 H 3.13 0.02 2 196 . 25 LEU N N 126.6 0.1 1 197 . 25 LEU H H 8.56 0.02 1 198 . 25 LEU CA C 54.4 0.1 1 199 . 25 LEU HA H 5.35 0.02 1 200 . 25 LEU CB C 45.1 0.1 1 201 . 25 LEU HB2 H 1.68 0.02 2 202 . 25 LEU HB3 H 1.54 0.02 2 203 . 25 LEU CG C 29.8 0.1 1 204 . 25 LEU HG H 1.73 0.02 1 205 . 25 LEU HD1 H 0.70 0.02 2 206 . 25 LEU HD2 H 0.68 0.02 2 207 . 25 LEU CD1 C 23.4 0.1 1 208 . 25 LEU CD2 C 26.9 0.1 1 209 . 25 LEU C C 174.0 0.1 1 210 . 26 ASP N N 123.1 0.1 1 211 . 26 ASP H H 8.43 0.02 1 212 . 26 ASP CA C 51.5 0.1 1 213 . 26 ASP HA H 5.71 0.02 1 214 . 26 ASP CB C 43.3 0.1 1 215 . 26 ASP HB2 H 2.76 0.02 2 216 . 26 ASP HB3 H 2.42 0.02 2 217 . 26 ASP C C 175.3 0.1 1 218 . 27 GLY N N 109.9 0.1 1 219 . 27 GLY H H 9.11 0.02 1 220 . 27 GLY CA C 46.8 0.1 1 221 . 27 GLY HA2 H 3.73 0.02 2 222 . 27 GLY HA3 H 3.57 0.02 2 223 . 28 GLY N N 110.8 0.1 1 224 . 28 GLY H H 8.13 0.02 1 225 . 28 GLY CA C 44.2 0.1 1 226 . 28 GLY HA2 H 3.99 0.02 2 227 . 28 GLY HA3 H 3.83 0.02 2 228 . 28 GLY C C 175.0 0.1 1 229 . 29 ALA N N 125.7 0.1 1 230 . 29 ALA H H 8.96 0.02 1 231 . 29 ALA CA C 52.3 0.1 1 232 . 29 ALA HA H 4.37 0.02 1 233 . 29 ALA HB H 1.48 0.02 1 234 . 29 ALA CB C 17.8 0.1 1 235 . 29 ALA C C 173.4 0.1 1 236 . 30 GLY N N 110.7 0.1 1 237 . 30 GLY H H 8.58 0.02 1 238 . 30 GLY CA C 43.6 0.1 1 239 . 30 GLY HA2 H 4.09 0.02 2 240 . 30 GLY HA3 H 3.69 0.02 2 241 . 30 GLY C C 175.5 0.1 1 242 . 31 ASP N N 126.9 0.1 1 243 . 31 ASP H H 8.80 0.02 1 244 . 31 ASP CA C 53.8 0.1 1 245 . 31 ASP HA H 4.16 0.02 1 246 . 31 ASP CB C 39.2 0.1 1 247 . 31 ASP HB2 H 2.67 0.02 2 248 . 31 ASP HB3 H 2.57 0.02 2 249 . 31 ASP C C 172.2 0.1 1 250 . 32 ASP N N 123.1 0.1 1 251 . 32 ASP H H 8.88 0.02 1 252 . 32 ASP CA C 53.6 0.1 1 253 . 32 ASP HA H 5.42 0.02 1 254 . 32 ASP CB C 44.2 0.1 1 255 . 32 ASP HB2 H 2.60 0.02 2 256 . 32 ASP HB3 H 2.43 0.02 2 257 . 32 ASP C C 173.8 0.1 1 258 . 33 ILE N N 122.9 0.1 1 259 . 33 ILE H H 8.80 0.02 1 260 . 33 ILE CA C 60.6 0.1 1 261 . 33 ILE HA H 4.63 0.02 1 262 . 33 ILE CB C 40.1 0.1 1 263 . 33 ILE HB H 1.61 0.02 1 264 . 33 ILE HG2 H 0.24 0.02 1 265 . 33 ILE CG2 C 16.9 0.1 1 266 . 33 ILE CG1 C 18.1 0.1 1 267 . 33 ILE HG12 H 0.81 0.02 2 268 . 33 ILE HD1 H 0.51 0.02 1 269 . 33 ILE CD1 C 13.1 0.1 1 270 . 33 ILE C C 174.6 0.1 1 271 . 34 LEU N N 127.7 0.1 1 272 . 34 LEU H H 8.73 0.02 1 273 . 34 LEU CA C 54.7 0.1 1 274 . 34 LEU HA H 5.01 0.02 1 275 . 34 LEU CB C 45.4 0.1 1 276 . 34 LEU HB2 H 1.60 0.02 2 277 . 34 LEU HB3 H 1.45 0.02 2 278 . 34 LEU CG C 29.5 0.1 1 279 . 34 LEU HG H 1.50 0.02 1 280 . 34 LEU HD1 H 0.79 0.02 2 281 . 34 LEU HD2 H 0.58 0.02 2 282 . 34 LEU CD1 C 28.4 0.1 1 283 . 34 LEU CD2 C 26.0 0.1 1 284 . 34 LEU C C 174.6 0.1 1 285 . 35 ASP N N 121.0 0.1 1 286 . 35 ASP H H 7.79 0.02 1 287 . 35 ASP CA C 52.1 0.1 1 288 . 35 ASP HA H 5.02 0.02 1 289 . 35 ASP CB C 43.0 0.1 1 290 . 35 ASP HB2 H 2.86 0.02 2 291 . 35 ASP HB3 H 2.27 0.02 2 292 . 35 ASP C C 174.1 0.1 1 293 . 36 GLY N N 111.6 0.1 1 294 . 36 GLY H H 9.46 0.02 1 295 . 36 GLY CA C 46.5 0.1 1 296 . 36 GLY HA2 H 3.80 0.02 2 297 . 36 GLY HA3 H 3.61 0.02 2 298 . 36 GLY C C 177.1 0.1 1 299 . 37 GLY N N 113.3 0.1 1 300 . 37 GLY H H 8.96 0.02 1 301 . 37 GLY CA C 44.2 0.1 1 302 . 37 GLY HA2 H 3.87 0.02 2 303 . 37 GLY HA3 H 3.80 0.02 2 304 . 37 GLY C C 174.5 0.1 1 305 . 38 ALA N N 127.7 0.1 1 306 . 38 ALA H H 8.81 0.02 1 307 . 38 ALA CA C 52.9 0.1 1 308 . 38 ALA HA H 4.46 0.02 1 309 . 38 ALA HB H 1.52 0.02 1 310 . 38 ALA CB C 18.7 0.1 1 311 . 38 ALA C C 173.0 0.1 1 312 . 39 GLY N N 109.9 0.1 1 313 . 39 GLY H H 9.11 0.02 1 314 . 39 GLY CA C 43.9 0.1 1 315 . 39 GLY HA2 H 4.06 0.02 2 316 . 39 GLY HA3 H 3.80 0.02 2 317 . 39 GLY C C 176.2 0.1 1 318 . 40 ARG N N 121.9 0.1 1 319 . 40 ARG H H 8.65 0.02 1 320 . 40 ARG CA C 55.9 0.1 1 321 . 40 ARG HA H 4.34 0.02 1 322 . 40 ARG CB C 30.7 0.1 1 323 . 40 ARG HB2 H 1.85 0.02 2 324 . 40 ARG HB3 H 1.74 0.02 2 325 . 40 ARG CG C 28.3 0.1 1 326 . 40 ARG HG2 H 1.66 0.02 2 327 . 40 ARG HG3 H 1.71 0.02 2 328 . 40 ARG CD C 43.3 0.1 1 329 . 40 ARG HD2 H 3.23 0.02 2 330 . 40 ARG HD3 H 3.16 0.02 2 331 . 40 ARG C C 173.1 0.1 1 332 . 41 ASP N N 125.7 0.1 1 333 . 41 ASP H H 9.10 0.02 1 334 . 41 ASP CA C 53.0 0.1 1 335 . 41 ASP HA H 5.72 0.02 1 336 . 41 ASP CB C 45.1 0.1 1 337 . 41 ASP HB2 H 2.62 0.02 2 338 . 41 ASP HB3 H 2.51 0.02 2 339 . 41 ASP C C 174.3 0.1 1 340 . 42 ARG N N 123.0 0.1 1 341 . 42 ARG H H 8.75 0.02 1 342 . 42 ARG CA C 55.3 0.1 1 343 . 42 ARG HA H 5.14 0.02 1 344 . 42 ARG CB C 33.0 0.1 1 345 . 42 ARG HB2 H 1.82 0.02 2 346 . 42 ARG HB3 H 1.72 0.02 2 347 . 42 ARG C C 175.2 0.1 1 348 . 43 LEU N N 124.3 0.1 1 349 . 43 LEU H H 9.06 0.02 1 350 . 43 LEU CA C 54.4 0.1 1 351 . 43 LEU HA H 5.14 0.02 1 352 . 43 LEU CB C 45.3 0.1 1 353 . 43 LEU HB2 H 2.06 0.02 2 354 . 43 LEU HB3 H 1.65 0.02 2 355 . 43 LEU CG C 27.5 0.1 1 356 . 43 LEU HG H 1.69 0.02 1 357 . 43 LEU HD1 H 1.12 0.02 2 358 . 43 LEU CD1 C 26.6 0.1 1 359 . 43 LEU C C 175.3 0.1 1 360 . 44 SER N N 119.9 0.1 1 361 . 44 SER H H 8.93 0.02 1 362 . 44 SER CA C 55.9 0.1 1 363 . 44 SER HA H 5.38 0.02 1 364 . 44 SER CB C 64.1 0.1 1 365 . 44 SER HB2 H 3.88 0.02 2 366 . 44 SER C C 174.4 0.1 1 367 . 45 GLY N N 119.4 0.1 1 368 . 45 GLY H H 11.76 0.02 1 369 . 45 GLY CA C 46.5 0.1 1 370 . 45 GLY HA2 H 4.01 0.02 2 371 . 45 GLY HA3 H 3.70 0.02 2 372 . 45 GLY C C 174.3 0.1 1 373 . 46 GLY N N 114.6 0.1 1 374 . 46 GLY H H 10.46 0.02 1 375 . 46 GLY CA C 44.0 0.1 1 376 . 46 GLY HA2 H 4.12 0.02 2 377 . 46 GLY HA3 H 3.77 0.02 2 378 . 46 GLY C C 176.1 0.1 1 379 . 47 ALA N N 125.1 0.1 1 380 . 47 ALA H H 8.52 0.02 1 381 . 47 ALA CA C 52.7 0.1 1 382 . 47 ALA HA H 4.43 0.02 1 383 . 47 ALA HB H 1.40 0.02 1 384 . 47 ALA CB C 18.5 0.1 1 385 . 47 ALA C C 173.8 0.1 1 386 . 48 GLY N N 113.1 0.1 1 387 . 48 GLY H H 9.04 0.02 1 388 . 48 GLY CA C 43.6 0.1 1 389 . 48 GLY HA2 H 4.32 0.02 2 390 . 48 GLY HA3 H 3.61 0.02 2 391 . 48 GLY C C 177.5 0.1 1 392 . 49 ALA N N 127.3 0.1 1 393 . 49 ALA H H 8.62 0.02 1 394 . 49 ALA CA C 51.5 0.1 1 395 . 49 ALA HA H 4.14 0.02 1 396 . 49 ALA HB H 1.20 0.02 1 397 . 49 ALA CB C 18.1 0.1 1 398 . 49 ALA C C 172.6 0.1 1 399 . 50 ASP N N 124.3 0.1 1 400 . 50 ASP H H 8.63 0.02 1 401 . 50 ASP CA C 53.6 0.1 1 402 . 50 ASP HA H 5.37 0.02 1 403 . 50 ASP CB C 43.6 0.1 1 404 . 50 ASP HB2 H 2.05 0.02 2 405 . 50 ASP HB3 H 1.93 0.02 2 406 . 50 ASP C C 174.7 0.1 1 407 . 51 THR N N 118.3 0.1 1 408 . 51 THR H H 8.81 0.02 1 409 . 51 THR CA C 61.5 0.1 1 410 . 51 THR HA H 5.01 0.02 1 411 . 51 THR CB C 70.2 0.1 1 412 . 51 THR HB H 3.91 0.02 1 413 . 51 THR HG2 H 1.08 0.02 1 414 . 51 THR CG2 C 21.3 0.1 1 415 . 51 THR C C 174.7 0.1 1 416 . 52 PHE N N 127.7 0.1 1 417 . 52 PHE H H 8.94 0.02 1 418 . 52 PHE CA C 56.5 0.1 1 419 . 52 PHE HA H 4.93 0.02 1 420 . 52 PHE CB C 39.8 0.1 1 421 . 52 PHE HB2 H 3.28 0.02 2 422 . 52 PHE HB3 H 2.92 0.02 2 423 . 52 PHE HD1 H 7.37 0.02 1 424 . 52 PHE HE1 H 7.60 0.02 1 425 . 52 PHE HZ H 7.24 0.02 1 426 . 52 PHE C C 172.4 0.1 1 427 . 53 VAL N N 127.8 0.1 1 428 . 53 VAL H H 9.22 0.02 1 429 . 53 VAL CA C 62.3 0.1 1 430 . 53 VAL HA H 4.42 0.02 1 431 . 53 VAL CB C 33.9 0.1 1 432 . 53 VAL HB H 1.79 0.02 1 433 . 53 VAL HG1 H 0.88 0.02 2 434 . 53 VAL HG2 H 0.81 0.02 2 435 . 53 VAL CG1 C 22.5 0.1 1 436 . 53 VAL CG2 C 21.6 0.1 1 437 . 53 VAL C C 173.8 0.1 1 438 . 54 PHE N N 123.6 0.1 1 439 . 54 PHE H H 7.47 0.02 1 440 . 54 PHE CA C 56.5 0.1 1 441 . 54 PHE HA H 4.91 0.02 1 442 . 54 PHE CB C 41.3 0.1 1 443 . 54 PHE HB2 H 2.99 0.02 2 444 . 54 PHE HD1 H 7.33 0.02 1 445 . 54 PHE HE1 H 7.59 0.02 1 446 . 54 PHE C C 173.9 0.1 1 447 . 55 SER N N 122.2 0.1 1 448 . 55 SER H H 9.64 0.02 1 449 . 55 SER CA C 60.9 0.1 1 450 . 55 SER HA H 4.15 0.02 1 451 . 55 SER CB C 63.5 0.1 1 452 . 55 SER HB2 H 3.86 0.02 2 453 . 55 SER HB3 H 3.73 0.02 2 454 . 55 SER C C 176.3 0.1 1 455 . 56 ALA N N 122.2 0.1 1 456 . 56 ALA H H 7.15 0.02 1 457 . 56 ALA CA C 51.5 0.1 1 458 . 56 ALA HA H 4.32 0.02 1 459 . 56 ALA HB H 1.26 0.02 1 460 . 56 ALA CB C 20.7 0.1 1 461 . 56 ALA C C 172.6 0.1 1 462 . 57 ARG N N 125.2 0.1 1 463 . 57 ARG H H 9.31 0.02 1 464 . 57 ARG CA C 60.3 0.1 1 465 . 57 ARG HA H 4.26 0.02 1 466 . 57 ARG CB C 29.8 0.1 1 467 . 57 ARG HB2 H 1.98 0.02 2 468 . 57 ARG NE N 111.9 0.1 1 469 . 57 ARG HE H 5.96 0.02 1 470 . 57 ARG C C 178.0 0.1 1 471 . 58 GLU N N 112.4 0.1 1 472 . 58 GLU H H 9.14 0.02 1 473 . 58 GLU CA C 56.8 0.1 1 474 . 58 GLU HA H 3.92 0.02 1 475 . 58 GLU CB C 26.6 0.1 1 476 . 58 GLU HB2 H 1.96 0.02 2 477 . 58 GLU HB3 H 1.64 0.02 2 478 . 58 GLU CG C 35.7 0.1 1 479 . 58 GLU HG2 H 2.13 0.02 2 480 . 58 GLU C C 177.5 0.1 1 481 . 59 ASP N N 120.6 0.1 1 482 . 59 ASP H H 7.54 0.02 1 483 . 59 ASP CA C 55.6 0.1 1 484 . 59 ASP HA H 4.82 0.02 1 485 . 59 ASP CB C 39.2 0.1 1 486 . 59 ASP HB2 H 3.20 0.02 2 487 . 59 ASP HB3 H 2.99 0.02 2 488 . 59 ASP C C 174.8 0.1 1 489 . 60 SER N N 118.5 0.1 1 490 . 60 SER H H 7.42 0.02 1 491 . 60 SER CA C 59.1 0.1 1 492 . 60 SER HA H 4.80 0.02 1 493 . 60 SER CB C 62.0 0.1 1 494 . 60 SER HB2 H 4.09 0.02 2 495 . 60 SER HB3 H 4.02 0.02 2 496 . 60 SER C C 179.4 0.1 1 497 . 61 TYR N N 122.7 0.1 1 498 . 61 TYR H H 7.12 0.02 1 499 . 61 TYR CA C 56.5 0.1 1 500 . 61 TYR HA H 5.79 0.02 1 501 . 61 TYR CB C 41.6 0.1 1 502 . 61 TYR HB2 H 3.17 0.02 2 503 . 61 TYR HB3 H 2.91 0.02 2 504 . 61 TYR HD1 H 6.79 0.02 1 505 . 61 TYR HE1 H 6.76 0.02 1 506 . 61 TYR C C 170.8 0.1 1 507 . 62 ARG N N 116.7 0.1 1 508 . 62 ARG H H 9.50 0.02 1 509 . 62 ARG CA C 55.0 0.1 1 510 . 62 ARG HA H 4.93 0.02 1 511 . 62 ARG CB C 34.5 0.1 1 512 . 62 ARG HB2 H 2.32 0.02 2 513 . 62 ARG HB3 H 1.79 0.02 2 514 . 62 ARG C C 172.7 0.1 1 515 . 63 THR N N 113.5 0.1 1 516 . 63 THR H H 9.03 0.02 1 517 . 63 THR CA C 59.4 0.1 1 518 . 63 THR HA H 5.37 0.02 1 519 . 63 THR CB C 71.4 0.1 1 520 . 63 THR HB H 4.93 0.02 1 521 . 63 THR HG2 H 1.47 0.02 1 522 . 63 THR CG2 C 22.2 0.1 1 523 . 63 THR C C 174.5 0.1 1 524 . 64 ASP N N 118.9 0.1 1 525 . 64 ASP H H 9.11 0.02 1 526 . 64 ASP CA C 57.1 0.1 1 527 . 64 ASP HA H 4.54 0.02 1 528 . 64 ASP CB C 40.1 0.1 1 529 . 64 ASP HB2 H 2.86 0.02 2 530 . 64 ASP HB3 H 2.79 0.02 2 531 . 64 ASP C C 175.3 0.1 1 532 . 65 THR N N 106.1 0.1 1 533 . 65 THR H H 7.89 0.02 1 534 . 65 THR CA C 61.2 0.1 1 535 . 65 THR HA H 4.50 0.02 1 536 . 65 THR CB C 70.5 0.1 1 537 . 65 THR HB H 4.36 0.02 1 538 . 65 THR HG2 H 1.19 0.02 1 539 . 65 THR CG2 C 21.1 0.1 1 540 . 65 THR C C 177.7 0.1 1 541 . 66 ALA N N 126.5 0.1 1 542 . 66 ALA H H 7.74 0.02 1 543 . 66 ALA CA C 51.5 0.1 1 544 . 66 ALA HA H 4.58 0.02 1 545 . 66 ALA HB H 1.28 0.02 1 546 . 66 ALA CB C 22.8 0.1 1 547 . 66 ALA C C 174.0 0.1 1 548 . 67 VAL N N 115.9 0.1 1 549 . 67 VAL H H 7.72 0.02 1 550 . 67 VAL CA C 61.8 0.1 1 551 . 67 VAL HA H 4.12 0.02 1 552 . 67 VAL CB C 33.6 0.1 1 553 . 67 VAL HB H 1.97 0.02 1 554 . 67 VAL HG1 H 0.83 0.02 2 555 . 67 VAL HG2 H 0.81 0.02 2 556 . 67 VAL CG1 C 21.9 0.1 1 557 . 67 VAL CG2 C 21.9 0.1 1 558 . 67 VAL C C 174.4 0.1 1 559 . 68 PHE N N 125.2 0.1 1 560 . 68 PHE H H 8.00 0.02 1 561 . 68 PHE CA C 56.2 0.1 1 562 . 68 PHE HA H 4.40 0.02 1 563 . 68 PHE CB C 38.4 0.1 1 564 . 68 PHE HB2 H 2.75 0.02 2 565 . 68 PHE HB3 H 1.16 0.02 2 566 . 68 PHE HD1 H 6.79 0.02 1 567 . 68 PHE HE1 H 7.25 0.02 1 568 . 68 PHE HZ H 7.21 0.02 1 569 . 68 PHE C C 173.9 0.1 1 570 . 69 ASN N N 116.7 0.1 1 571 . 69 ASN H H 7.18 0.02 1 572 . 69 ASN CA C 53.3 0.1 1 573 . 69 ASN HA H 4.74 0.02 1 574 . 69 ASN CB C 40.7 0.1 1 575 . 69 ASN HB2 H 2.65 0.02 2 576 . 69 ASN HB3 H 2.16 0.02 2 577 . 69 ASN ND2 N 115.9 0.1 1 578 . 69 ASN HD21 H 7.30 0.02 2 579 . 69 ASN HD22 H 7.12 0.02 2 580 . 69 ASN C C 177.0 0.1 1 581 . 70 ASP N N 124.3 0.1 1 582 . 70 ASP H H 9.35 0.02 1 583 . 70 ASP CA C 53.6 0.1 1 584 . 70 ASP HA H 5.27 0.02 1 585 . 70 ASP CB C 41.2 0.1 1 586 . 70 ASP HB2 H 3.09 0.02 2 587 . 70 ASP HB3 H 2.74 0.02 2 588 . 70 ASP C C 174.4 0.1 1 589 . 71 LEU N N 122.0 0.1 1 590 . 71 LEU H H 8.25 0.02 1 591 . 71 LEU CA C 53.0 0.1 1 592 . 71 LEU HA H 5.09 0.02 1 593 . 71 LEU CB C 46.5 0.1 1 594 . 71 LEU HB2 H 1.62 0.02 2 595 . 71 LEU HB3 H 1.32 0.02 2 596 . 71 LEU CG C 27.8 0.1 1 597 . 71 LEU HG H 1.08 0.02 1 598 . 71 LEU HD1 H 0.81 0.02 2 599 . 71 LEU HD2 H 0.58 0.02 2 600 . 71 LEU CD2 C 22.5 0.1 1 601 . 71 LEU C C 174.8 0.1 1 602 . 72 ILE N N 126.3 0.1 1 603 . 72 ILE H H 8.98 0.02 1 604 . 72 ILE CA C 60.6 0.1 1 605 . 72 ILE HA H 4.64 0.02 1 606 . 72 ILE CB C 38.0 0.1 1 607 . 72 ILE HB H 1.56 0.02 1 608 . 72 ILE HG2 H 0.24 0.02 1 609 . 72 ILE CG2 C 17.2 0.1 1 610 . 72 ILE HD1 H 0.51 0.02 1 611 . 72 ILE CD1 C 13.1 0.1 1 612 . 72 ILE C C 175.2 0.1 1 613 . 73 LEU N N 131.4 0.1 1 614 . 73 LEU H H 9.18 0.02 1 615 . 73 LEU CA C 58.0 0.1 1 616 . 73 LEU HA H 4.28 0.02 1 617 . 73 LEU CB C 42.7 0.1 1 618 . 73 LEU HB2 H 1.74 0.02 2 619 . 73 LEU HB3 H 1.63 0.02 2 620 . 73 LEU HD1 H 0.85 0.02 2 621 . 73 LEU CD1 C 24.0 0.1 1 622 . 73 LEU C C 178.0 0.1 1 623 . 74 ASP N N 122.3 0.1 1 624 . 74 ASP H H 7.97 0.02 1 625 . 74 ASP CA C 52.7 0.1 1 626 . 74 ASP HA H 4.83 0.02 1 627 . 74 ASP CB C 40.4 0.1 1 628 . 74 ASP HB2 H 2.87 0.02 2 629 . 74 ASP HB3 H 2.33 0.02 2 630 . 74 ASP C C 178.2 0.1 1 631 . 75 PHE N N 122.5 0.1 1 632 . 75 PHE H H 9.02 0.02 1 633 . 75 PHE CA C 60.3 0.1 1 634 . 75 PHE HA H 4.17 0.02 1 635 . 75 PHE CB C 40.1 0.1 1 636 . 75 PHE HB2 H 2.61 0.02 2 637 . 75 PHE HB3 H 2.27 0.02 2 638 . 75 PHE HD1 H 6.52 0.02 1 639 . 75 PHE HE1 H 6.99 0.02 1 640 . 75 PHE C C 175.4 0.1 1 641 . 76 GLU N N 132.2 0.1 1 642 . 76 GLU H H 9.13 0.02 1 643 . 76 GLU CA C 53.6 0.1 1 644 . 76 GLU HA H 4.53 0.02 1 645 . 76 GLU CB C 29.8 0.1 1 646 . 76 GLU HB2 H 2.01 0.02 2 647 . 76 GLU HB3 H 1.89 0.02 2 648 . 76 GLU HG2 H 2.26 0.02 2 649 . 76 GLU HG3 H 2.14 0.02 2 650 . 76 GLU C C 175.4 0.1 1 651 . 77 ALA N N 130.2 0.1 1 652 . 77 ALA H H 9.21 0.02 1 653 . 77 ALA CA C 54.7 0.1 1 654 . 77 ALA HA H 3.74 0.02 1 655 . 77 ALA HB H 1.53 0.02 1 656 . 77 ALA CB C 19.0 0.1 1 657 . 77 ALA C C 175.9 0.1 1 658 . 78 SER N N 111.3 0.1 1 659 . 78 SER H H 8.45 0.02 1 660 . 78 SER CA C 59.7 0.1 1 661 . 78 SER HA H 4.33 0.02 1 662 . 78 SER CB C 63.2 0.1 1 663 . 78 SER HB2 H 4.00 0.02 2 664 . 78 SER HB3 H 3.87 0.02 2 665 . 78 SER C C 178.5 0.1 1 666 . 79 GLU N N 118.4 0.1 1 667 . 79 GLU H H 7.39 0.02 1 668 . 79 GLU CA C 56.8 0.1 1 669 . 79 GLU HA H 4.69 0.02 1 670 . 79 GLU CB C 32.8 0.1 1 671 . 79 GLU HB2 H 1.88 0.02 2 672 . 79 GLU HB3 H 1.73 0.02 2 673 . 79 GLU CG C 34.8 0.1 1 674 . 79 GLU HG2 H 2.20 0.02 2 675 . 79 GLU HG3 H 1.99 0.02 2 676 . 79 GLU C C 174.5 0.1 1 677 . 80 ASP N N 120.3 0.1 1 678 . 80 ASP H H 8.23 0.02 1 679 . 80 ASP CA C 53.8 0.1 1 680 . 80 ASP HA H 5.29 0.02 1 681 . 80 ASP CB C 43.9 0.1 1 682 . 80 ASP HB2 H 2.90 0.02 2 683 . 80 ASP HB3 H 1.98 0.02 2 684 . 80 ASP C C 174.9 0.1 1 685 . 81 ARG N N 115.1 0.1 1 686 . 81 ARG H H 8.96 0.02 1 687 . 81 ARG CA C 54.7 0.1 1 688 . 81 ARG HA H 5.63 0.02 1 689 . 81 ARG CB C 35.1 0.1 1 690 . 81 ARG HB2 H 1.73 0.02 2 691 . 81 ARG HB3 H 1.70 0.02 2 692 . 81 ARG CG C 27.5 0.1 1 693 . 81 ARG HG2 H 1.63 0.02 2 694 . 81 ARG HG3 H 1.57 0.02 2 695 . 81 ARG CD C 43.8 0.1 1 696 . 81 ARG HD2 H 3.07 0.02 2 697 . 81 ARG HD3 H 3.02 0.02 2 698 . 81 ARG C C 174.8 0.1 1 699 . 82 ILE N N 122.5 0.1 1 700 . 82 ILE H H 8.90 0.02 1 701 . 82 ILE CA C 60.0 0.1 1 702 . 82 ILE HA H 5.14 0.02 1 703 . 82 ILE CB C 40.1 0.1 1 704 . 82 ILE HB H 1.80 0.02 1 705 . 82 ILE HG2 H 0.94 0.02 1 706 . 82 ILE CG2 C 17.2 0.1 1 707 . 82 ILE CG1 C 28.4 0.1 1 708 . 82 ILE HG12 H 1.78 0.02 2 709 . 82 ILE HG13 H 1.56 0.02 2 710 . 82 ILE HD1 H 0.25 0.02 1 711 . 82 ILE CD1 C 13.7 0.1 1 712 . 82 ILE C C 175.6 0.1 1 713 . 83 ASP N N 127.5 0.1 1 714 . 83 ASP H H 9.50 0.02 1 715 . 83 ASP CA C 53.6 0.1 1 716 . 83 ASP HA H 4.94 0.02 1 717 . 83 ASP CB C 42.1 0.1 1 718 . 83 ASP HB2 H 3.02 0.02 2 719 . 83 ASP HB3 H 2.12 0.02 2 720 . 83 ASP C C 174.3 0.1 1 721 . 84 LEU N N 125.9 0.1 1 722 . 84 LEU H H 8.38 0.02 1 723 . 84 LEU CA C 52.7 0.1 1 724 . 84 LEU HA H 4.87 0.02 1 725 . 84 LEU CB C 41.2 0.1 1 726 . 84 LEU HB2 H 1.74 0.02 2 727 . 84 LEU HD1 H 0.40 0.02 2 728 . 84 LEU HD2 H 0.47 0.02 2 729 . 84 LEU CD2 C 26.9 0.1 1 730 . 84 LEU C C 175.3 0.1 1 731 . 85 SER N N 122.3 0.1 1 732 . 85 SER H H 8.92 0.02 1 733 . 85 SER CA C 57.5 0.1 1 734 . 85 SER HA H 4.14 0.02 1 735 . 85 SER CB C 62.6 0.1 1 736 . 85 SER HB2 H 3.76 0.02 2 737 . 85 SER HB3 H 3.66 0.02 2 738 . 85 SER C C 179.9 0.1 1 739 . 86 ALA N N 124.6 0.1 1 740 . 86 ALA H H 8.64 0.02 1 741 . 86 ALA CA C 53.0 0.1 1 742 . 86 ALA HA H 4.42 0.02 1 743 . 86 ALA HB H 1.41 0.02 1 744 . 86 ALA CB C 19.6 0.1 1 745 . 86 ALA C C 176.0 0.1 1 746 . 87 LEU N N 113.1 0.1 1 747 . 87 LEU H H 7.91 0.02 1 748 . 87 LEU CA C 55.6 0.1 1 749 . 87 LEU HA H 4.00 0.02 1 750 . 87 LEU CB C 42.7 0.1 1 751 . 87 LEU HB2 H 1.84 0.02 2 752 . 87 LEU HB3 H 1.11 0.02 2 753 . 87 LEU HD1 H 0.39 0.02 2 754 . 87 LEU HD2 H 0.29 0.02 2 755 . 87 LEU CD1 C 27.8 0.1 1 756 . 87 LEU CD2 C 21.3 0.1 1 757 . 87 LEU C C 179.7 0.1 1 758 . 88 GLY N N 108.0 0.1 1 759 . 88 GLY H H 7.93 0.02 1 760 . 88 GLY CA C 46.4 0.1 1 761 . 88 GLY HA2 H 3.75 0.02 2 762 . 88 GLY C C 177.8 0.1 1 763 . 89 PHE N N 121.0 0.1 1 764 . 89 PHE H H 8.80 0.02 1 765 . 89 PHE CA C 57.4 0.1 1 766 . 89 PHE HA H 5.12 0.02 1 767 . 89 PHE CB C 39.5 0.1 1 768 . 89 PHE HB2 H 3.20 0.02 2 769 . 89 PHE HB3 H 3.10 0.02 2 770 . 89 PHE HD1 H 6.95 0.02 1 771 . 89 PHE HE1 H 7.26 0.02 1 772 . 89 PHE C C 174.7 0.1 1 773 . 90 SER N N 115.0 0.1 1 774 . 90 SER H H 9.24 0.02 1 775 . 90 SER CA C 58.5 0.1 1 776 . 90 SER HA H 4.43 0.02 1 777 . 90 SER CB C 64.1 0.1 1 778 . 90 SER HB2 H 3.77 0.02 2 779 . 90 SER HB3 H 3.72 0.02 2 780 . 90 SER C C 176.3 0.1 1 781 . 91 GLY N N 108.3 0.1 1 782 . 91 GLY H H 6.38 0.02 1 783 . 91 GLY CA C 43.9 0.1 1 784 . 91 GLY HA2 H 3.60 0.02 2 785 . 91 GLY HA3 H 1.68 0.02 2 786 . 91 GLY C C 174.6 0.1 1 787 . 92 LEU N N 119.4 0.1 1 788 . 92 LEU H H 8.16 0.02 1 789 . 92 LEU CA C 53.9 0.1 1 790 . 92 LEU HA H 4.93 0.02 1 791 . 92 LEU CB C 41.9 0.1 1 792 . 92 LEU HB2 H 1.82 0.02 2 793 . 92 LEU HB3 H 1.62 0.02 2 794 . 92 LEU CG C 25.5 0.1 1 795 . 92 LEU HG H 0.98 0.02 1 796 . 92 LEU HD1 H 0.94 0.02 2 797 . 92 LEU HD2 H 0.87 0.02 2 798 . 92 LEU CD1 C 23.6 0.1 1 799 . 92 LEU CD2 C 23.4 0.1 1 800 . 92 LEU C C 171.8 0.1 1 801 . 93 GLY N N 112.8 0.1 1 802 . 93 GLY H H 8.99 0.02 1 803 . 93 GLY CA C 47.7 0.1 1 804 . 93 GLY HA2 H 3.84 0.02 2 805 . 93 GLY HA3 H 3.81 0.02 2 806 . 93 GLY C C 178.4 0.1 1 807 . 94 ASP N N 126.8 0.1 1 808 . 94 ASP H H 8.21 0.02 1 809 . 94 ASP CA C 53.3 0.1 1 810 . 94 ASP HA H 4.72 0.02 1 811 . 94 ASP CB C 41.0 0.1 1 812 . 94 ASP HB2 H 3.21 0.02 2 813 . 94 ASP HB3 H 2.71 0.02 2 814 . 94 ASP C C 172.0 0.1 1 815 . 95 GLY N N 107.7 0.1 1 816 . 95 GLY H H 7.75 0.02 1 817 . 95 GLY CA C 45.9 0.1 1 818 . 95 GLY HA2 H 3.82 0.02 2 819 . 95 GLY HA3 H 3.76 0.02 2 820 . 95 GLY C C 176.5 0.1 1 821 . 96 TYR N N 117.5 0.1 1 822 . 96 TYR H H 8.16 0.02 1 823 . 96 TYR CA C 56.8 0.1 1 824 . 96 TYR HA H 4.91 0.02 1 825 . 96 TYR CB C 40.4 0.1 1 826 . 96 TYR HB2 H 3.12 0.02 2 827 . 96 TYR HB3 H 3.02 0.02 2 828 . 96 TYR HD1 H 7.04 0.02 1 829 . 96 TYR C C 172.9 0.1 1 830 . 97 GLY N N 112.3 0.1 1 831 . 97 GLY H H 9.35 0.02 1 832 . 97 GLY CA C 47.7 0.1 1 833 . 97 GLY HA2 H 4.07 0.02 2 834 . 97 GLY HA3 H 3.90 0.02 2 835 . 97 GLY C C 178.7 0.1 1 836 . 98 GLY N N 109.1 0.1 1 837 . 98 GLY H H 9.66 0.02 1 838 . 98 GLY CA C 45.6 0.1 1 839 . 98 GLY HA2 H 4.41 0.02 2 840 . 98 GLY HA3 H 4.01 0.02 2 841 . 98 GLY C C 176.8 0.1 1 842 . 99 THR N N 109.4 0.1 1 843 . 99 THR H H 7.25 0.02 1 844 . 99 THR CA C 59.7 0.1 1 845 . 99 THR HA H 5.25 0.02 1 846 . 99 THR CB C 72.6 0.1 1 847 . 99 THR HB H 3.89 0.02 1 848 . 99 THR HG2 H 1.09 0.02 1 849 . 99 THR CG2 C 21.0 0.1 1 850 . 99 THR C C 173.6 0.1 1 851 . 100 LEU N N 115.7 0.1 1 852 . 100 LEU H H 7.71 0.02 1 853 . 100 LEU CA C 52.1 0.1 1 854 . 100 LEU HA H 4.73 0.02 1 855 . 100 LEU CB C 45.7 0.1 1 856 . 100 LEU HB2 H 1.36 0.02 2 857 . 100 LEU HB3 H 0.85 0.02 2 858 . 100 LEU CG C 26.9 0.1 1 859 . 100 LEU HG H 0.48 0.02 1 860 . 100 LEU HD1 H 0.89 0.02 2 861 . 100 LEU HD2 H -0.23 0.02 2 862 . 100 LEU CD1 C 26.3 0.1 1 863 . 100 LEU CD2 C 23.4 0.1 1 864 . 100 LEU C C 173.6 0.1 1 865 . 101 LEU N N 125.5 0.1 1 866 . 101 LEU H H 9.14 0.02 1 867 . 101 LEU CA C 53.6 0.1 1 868 . 101 LEU HA H 4.61 0.02 1 869 . 101 LEU CB C 43.9 0.1 1 870 . 101 LEU HB2 H 1.50 0.02 2 871 . 101 LEU HB3 H 1.13 0.02 2 872 . 101 LEU HG H 1.00 0.02 1 873 . 101 LEU C C 175.2 0.1 1 874 . 102 LEU N N 128.9 0.1 1 875 . 102 LEU H H 8.32 0.02 1 876 . 102 LEU CA C 53.3 0.1 1 877 . 102 LEU HA H 5.36 0.02 1 878 . 102 LEU CB C 44.2 0.1 1 879 . 102 LEU HB2 H 1.77 0.02 2 880 . 102 LEU HB3 H 1.43 0.02 2 881 . 102 LEU HD1 H 0.95 0.02 2 882 . 102 LEU HD2 H 0.86 0.02 2 883 . 102 LEU CD1 C 26.6 0.1 1 884 . 102 LEU CD2 C 26.0 0.1 1 885 . 102 LEU C C 175.3 0.1 1 886 . 103 LYS N N 125.3 0.1 1 887 . 103 LYS H H 8.67 0.02 1 888 . 103 LYS CA C 55.0 0.1 1 889 . 103 LYS HA H 4.88 0.02 1 890 . 103 LYS CB C 36.6 0.1 1 891 . 103 LYS HB2 H 1.81 0.02 2 892 . 103 LYS HB3 H 1.79 0.02 2 893 . 103 LYS CG C 23.7 0.1 1 894 . 103 LYS HG2 H 1.54 0.02 2 895 . 103 LYS HG3 H 1.43 0.02 2 896 . 103 LYS CD C 29.0 0.1 1 897 . 103 LYS HD2 H 1.74 0.02 2 898 . 103 LYS HD3 H 1.69 0.02 2 899 . 103 LYS CE C 41.8 0.1 1 900 . 103 LYS HE2 H 3.07 0.02 2 901 . 103 LYS HE3 H 2.99 0.02 2 902 . 103 LYS C C 176.0 0.1 1 903 . 104 THR N N 114.9 0.1 1 904 . 104 THR H H 8.65 0.02 1 905 . 104 THR CA C 60.3 0.1 1 906 . 104 THR HA H 5.65 0.02 1 907 . 104 THR CB C 72.0 0.1 1 908 . 104 THR HB H 4.52 0.02 1 909 . 104 THR HG2 H 1.28 0.02 1 910 . 104 THR CG2 C 21.0 0.1 1 911 . 104 THR C C 175.0 0.1 1 912 . 105 ASN N N 117.6 0.1 1 913 . 105 ASN H H 8.34 0.02 1 914 . 105 ASN CA C 52.1 0.1 1 915 . 105 ASN HA H 4.82 0.02 1 916 . 105 ASN CB C 37.7 0.1 1 917 . 105 ASN HB2 H 3.20 0.02 2 918 . 105 ASN HB3 H 3.69 0.02 2 919 . 105 ASN ND2 N 112.0 0.1 1 920 . 105 ASN HD21 H 7.70 0.02 2 921 . 105 ASN HD22 H 6.85 0.02 2 922 . 105 ASN C C 176.5 0.1 1 923 . 106 ALA CA C 55.6 0.1 1 924 . 106 ALA HA H 4.06 0.02 1 925 . 106 ALA HB H 1.44 0.02 1 926 . 106 ALA CB C 17.9 0.1 1 927 . 107 GLU N N 114.6 0.1 1 928 . 107 GLU H H 8.76 0.02 1 929 . 107 GLU CA C 57.4 0.1 1 930 . 107 GLU HA H 4.14 0.02 1 931 . 107 GLU CB C 29.8 0.1 1 932 . 107 GLU HB2 H 2.07 0.02 2 933 . 107 GLU HB3 H 2.00 0.02 2 934 . 107 GLU CG C 37.1 0.1 1 935 . 107 GLU HG2 H 2.44 0.02 2 936 . 107 GLU HG3 H 2.27 0.02 2 937 . 107 GLU C C 179.9 0.1 1 938 . 108 GLY N N 109.3 0.1 1 939 . 108 GLY H H 7.82 0.02 1 940 . 108 GLY CA C 46.0 0.1 1 941 . 108 GLY HA2 H 4.13 0.02 2 942 . 108 GLY HA3 H 3.67 0.02 2 943 . 108 GLY C C 177.0 0.1 1 944 . 109 THR N N 107.7 0.1 1 945 . 109 THR H H 8.43 0.02 1 946 . 109 THR CA C 60.5 0.1 1 947 . 109 THR HA H 4.43 0.02 1 948 . 109 THR CB C 70.0 0.1 1 949 . 109 THR HB H 4.25 0.02 1 950 . 109 THR HG2 H 1.24 0.02 1 951 . 109 THR CG2 C 21.6 0.1 1 952 . 109 THR C C 174.3 0.1 1 953 . 110 ARG N N 124.5 0.1 1 954 . 110 ARG H H 7.56 0.02 1 955 . 110 ARG CA C 55.9 0.1 1 956 . 110 ARG HA H 4.96 0.02 1 957 . 110 ARG CB C 33.9 0.1 1 958 . 110 ARG HB2 H 1.80 0.02 2 959 . 110 ARG HB3 H 1.39 0.02 2 960 . 110 ARG CG C 27.2 0.1 1 961 . 110 ARG HG2 H 1.32 0.02 2 962 . 110 ARG HG3 H 1.16 0.02 2 963 . 110 ARG CD C 43.3 0.1 1 964 . 110 ARG HD2 H 2.99 0.02 2 965 . 110 ARG HD3 H 2.89 0.02 2 966 . 110 ARG C C 175.0 0.1 1 967 . 111 THR N N 120.7 0.1 1 968 . 111 THR H H 9.29 0.02 1 969 . 111 THR CA C 61.8 0.1 1 970 . 111 THR HA H 4.65 0.02 1 971 . 111 THR CB C 70.6 0.1 1 972 . 111 THR HB H 3.82 0.02 1 973 . 111 THR HG2 H 1.02 0.02 1 974 . 111 THR CG2 C 21.9 0.1 1 975 . 111 THR C C 173.7 0.1 1 976 . 112 TYR N N 124.6 0.1 1 977 . 112 TYR H H 9.28 0.02 1 978 . 112 TYR CA C 56.2 0.1 1 979 . 112 TYR HA H 5.19 0.02 1 980 . 112 TYR CB C 41.8 0.1 1 981 . 112 TYR HB2 H 2.55 0.02 2 982 . 112 TYR HB3 H 2.48 0.02 2 983 . 112 TYR HD1 H 6.77 0.02 1 984 . 112 TYR HE1 H 6.61 0.02 1 985 . 112 TYR C C 170.9 0.1 1 986 . 113 LEU N N 121.9 0.1 1 987 . 113 LEU H H 8.12 0.02 1 988 . 113 LEU CA C 53.3 0.1 1 989 . 113 LEU HA H 5.06 0.02 1 990 . 113 LEU CB C 43.6 0.1 1 991 . 113 LEU HB2 H 1.25 0.02 2 992 . 113 LEU HB3 H 1.14 0.02 2 993 . 113 LEU CG C 26.3 0.1 1 994 . 113 LEU HG H 1.23 0.02 1 995 . 113 LEU HD1 H 0.62 0.02 2 996 . 113 LEU HD2 H 0.51 0.02 2 997 . 113 LEU CD1 C 25.1 0.1 1 998 . 113 LEU CD2 C 24.8 0.1 1 999 . 113 LEU C C 174.2 0.1 1 1000 . 114 LYS N N 119.8 0.1 1 1001 . 114 LYS H H 8.89 0.02 1 1002 . 114 LYS CA C 55.0 0.1 1 1003 . 114 LYS HA H 4.72 0.02 1 1004 . 114 LYS CB C 36.8 0.1 1 1005 . 114 LYS HB2 H 1.36 0.02 2 1006 . 114 LYS HB3 H 1.28 0.02 2 1007 . 114 LYS CG C 23.7 0.1 1 1008 . 114 LYS HG2 H 1.09 0.02 2 1009 . 114 LYS CD C 29.6 0.1 1 1010 . 114 LYS HD2 H 1.37 0.02 2 1011 . 114 LYS HD3 H 1.28 0.02 2 1012 . 114 LYS CE C 40.7 0.1 1 1013 . 114 LYS HE2 H 2.60 0.02 2 1014 . 114 LYS HE3 H 2.47 0.02 2 1015 . 114 LYS C C 176.1 0.1 1 1016 . 115 SER N N 115.2 0.1 1 1017 . 115 SER H H 7.97 0.02 1 1018 . 115 SER CA C 55.4 0.1 1 1019 . 115 SER HA H 4.66 0.02 1 1020 . 115 SER CB C 65.0 0.1 1 1021 . 115 SER HB2 H 3.93 0.02 2 1022 . 115 SER HB3 H 3.69 0.02 2 1023 . 115 SER C C 174.4 0.1 1 1024 . 116 PHE N N 124.3 0.1 1 1025 . 116 PHE H H 8.98 0.02 1 1026 . 116 PHE CA C 57.4 0.1 1 1027 . 116 PHE HA H 4.70 0.02 1 1028 . 116 PHE CB C 38.6 0.1 1 1029 . 116 PHE HB2 H 3.22 0.02 2 1030 . 116 PHE HB3 H 1.44 0.02 2 1031 . 116 PHE HD1 H 6.91 0.02 1 1032 . 116 PHE HE1 H 7.28 0.02 1 1033 . 116 PHE C C 175.1 0.1 1 1034 . 117 GLU CA C 55.9 0.1 1 1035 . 117 GLU HA H 4.52 0.02 1 1036 . 117 GLU CB C 30.1 0.1 1 1037 . 117 GLU HB2 H 2.12 0.02 2 1038 . 117 GLU CG C 35.6 0.1 1 1039 . 117 GLU HG2 H 2.35 0.02 2 1040 . 117 GLU HG3 H 2.12 0.02 2 1041 . 118 ALA N N 127.6 0.1 1 1042 . 118 ALA H H 8.34 0.02 1 1043 . 118 ALA CA C 50.6 0.1 1 1044 . 118 ALA HA H 4.68 0.02 1 1045 . 118 ALA HB H 1.34 0.02 1 1046 . 118 ALA CB C 20.8 0.1 1 1047 . 118 ALA C C 174.1 0.1 1 1048 . 119 ASP N N 120.7 0.1 1 1049 . 119 ASP H H 7.90 0.02 1 1050 . 119 ASP CA C 52.1 0.1 1 1051 . 119 ASP HA H 4.33 0.02 1 1052 . 119 ASP CB C 40.2 0.1 1 1053 . 119 ASP HB2 H 2.78 0.02 2 1054 . 119 ASP HB3 H 2.57 0.02 2 1055 . 119 ASP C C 178.6 0.1 1 1056 . 120 ALA N N 120.7 0.1 1 1057 . 120 ALA H H 8.29 0.02 1 1058 . 120 ALA CA C 54.5 0.1 1 1059 . 120 ALA HA H 4.14 0.02 1 1060 . 120 ALA HB H 1.45 0.02 1 1061 . 120 ALA CB C 18.4 0.1 1 1062 . 120 ALA C C 178.1 0.1 1 1063 . 121 GLU N N 116.6 0.1 1 1064 . 121 GLU H H 7.92 0.02 1 1065 . 121 GLU CA C 55.3 0.1 1 1066 . 121 GLU HA H 4.42 0.02 1 1067 . 121 GLU CB C 29.2 0.1 1 1068 . 121 GLU HB2 H 2.21 0.02 2 1069 . 121 GLU HB3 H 1.80 0.02 2 1070 . 121 GLU C C 178.8 0.1 1 1071 . 122 GLY N N 108.7 0.1 1 1072 . 122 GLY H H 8.03 0.02 1 1073 . 122 GLY CA C 45.6 0.1 1 1074 . 122 GLY HA2 H 4.26 0.02 2 1075 . 122 GLY HA3 H 3.68 0.02 2 1076 . 122 GLY C C 176.5 0.1 1 1077 . 123 ARG N N 121.1 0.1 1 1078 . 123 ARG H H 8.49 0.02 1 1079 . 123 ARG CA C 56.2 0.1 1 1080 . 123 ARG HA H 4.47 0.02 1 1081 . 123 ARG CB C 30.2 0.1 1 1082 . 123 ARG HB2 H 2.05 0.02 2 1083 . 123 ARG C C 174.3 0.1 1 1084 . 124 ARG N N 124.7 0.1 1 1085 . 124 ARG H H 9.21 0.02 1 1086 . 124 ARG CA C 55.0 0.1 1 1087 . 124 ARG HA H 4.82 0.02 1 1088 . 124 ARG CB C 31.9 0.1 1 1089 . 124 ARG HB2 H 1.93 0.02 2 1090 . 124 ARG HB3 H 1.78 0.02 2 1091 . 124 ARG CG C 27.5 0.1 1 1092 . 124 ARG HG2 H 1.59 0.02 2 1093 . 124 ARG HG3 H 1.32 0.02 2 1094 . 124 ARG CD C 44.2 0.1 1 1095 . 124 ARG HD2 H 3.31 0.02 2 1096 . 124 ARG HD3 H 3.24 0.02 2 1097 . 124 ARG C C 177.0 0.1 1 1098 . 125 PHE N N 125.5 0.1 1 1099 . 125 PHE H H 9.36 0.02 1 1100 . 125 PHE CA C 59.1 0.1 1 1101 . 125 PHE HA H 4.92 0.02 1 1102 . 125 PHE CB C 41.0 0.1 1 1103 . 125 PHE HB2 H 3.37 0.02 2 1104 . 125 PHE HB3 H 2.95 0.02 2 1105 . 125 PHE HD1 H 7.38 0.02 1 1106 . 125 PHE C C 174.8 0.1 1 1107 . 126 GLU N N 124.6 0.1 1 1108 . 126 GLU H H 7.28 0.02 1 1109 . 126 GLU CA C 55.6 0.1 1 1110 . 126 GLU HA H 4.70 0.02 1 1111 . 126 GLU CB C 33.9 0.1 1 1112 . 126 GLU HB2 H 2.00 0.02 2 1113 . 126 GLU HB3 H 1.56 0.02 2 1114 . 126 GLU CG C 36.9 0.1 1 1115 . 126 GLU HG2 H 1.91 0.02 2 1116 . 126 GLU HG3 H 1.71 0.02 2 1117 . 126 GLU C C 173.8 0.1 1 1118 . 127 VAL N N 123.4 0.1 1 1119 . 127 VAL H H 8.02 0.02 1 1120 . 127 VAL CA C 60.6 0.1 1 1121 . 127 VAL HA H 3.82 0.02 1 1122 . 127 VAL CB C 35.1 0.1 1 1123 . 127 VAL HB H 1.20 0.02 1 1124 . 127 VAL HG1 H 0.42 0.02 2 1125 . 127 VAL HG2 H 0.23 0.02 2 1126 . 127 VAL CG1 C 20.4 0.1 1 1127 . 127 VAL CG2 C 22.2 0.1 1 1128 . 127 VAL C C 173.9 0.1 1 1129 . 128 ALA N N 127.0 0.1 1 1130 . 128 ALA H H 7.69 0.02 1 1131 . 128 ALA CA C 49.5 0.1 1 1132 . 128 ALA HA H 5.15 0.02 1 1133 . 128 ALA HB H 1.01 0.02 1 1134 . 128 ALA CB C 23.1 0.1 1 1135 . 128 ALA C C 171.5 0.1 1 1136 . 129 LEU N N 120.3 0.1 1 1137 . 129 LEU H H 9.19 0.02 1 1138 . 129 LEU CA C 54.1 0.1 1 1139 . 129 LEU HA H 5.07 0.02 1 1140 . 129 LEU CB C 44.8 0.1 1 1141 . 129 LEU HB2 H 1.60 0.02 2 1142 . 129 LEU HB3 H 1.13 0.02 2 1143 . 129 LEU CG C 28.4 0.1 1 1144 . 129 LEU HG H 1.31 0.02 1 1145 . 129 LEU HD1 H 0.26 0.02 2 1146 . 129 LEU HD2 H -0.08 0.02 2 1147 . 129 LEU CD1 C 24.9 0.1 1 1148 . 129 LEU CD2 C 27.5 0.1 1 1149 . 129 LEU C C 175.5 0.1 1 1150 . 130 ASP N N 123.4 0.1 1 1151 . 130 ASP H H 7.68 0.02 1 1152 . 130 ASP CA C 57.1 0.1 1 1153 . 130 ASP HA H 4.85 0.02 1 1154 . 130 ASP CB C 41.0 0.1 1 1155 . 130 ASP HB2 H 2.80 0.02 2 1156 . 130 ASP HB3 H 2.69 0.02 2 1157 . 130 ASP C C 175.7 0.1 1 1158 . 131 GLY N N 110.0 0.1 1 1159 . 131 GLY H H 7.94 0.02 1 1160 . 131 GLY CA C 43.3 0.1 1 1161 . 131 GLY HA2 H 4.21 0.02 2 1162 . 131 GLY HA3 H 3.51 0.02 2 1163 . 131 GLY C C 177.0 0.1 1 1164 . 132 ASP N N 117.8 0.1 1 1165 . 132 ASP H H 8.17 0.02 1 1166 . 132 ASP CA C 52.4 0.1 1 1167 . 132 ASP HA H 4.27 0.02 1 1168 . 132 ASP CB C 39.5 0.1 1 1169 . 132 ASP HB2 H 2.75 0.02 2 1170 . 132 ASP HB3 H 2.58 0.02 2 1171 . 132 ASP C C 172.4 0.1 1 1172 . 133 HIS N N 124.7 0.1 1 1173 . 133 HIS H H 8.88 0.02 1 1174 . 133 HIS CA C 54.6 0.1 1 1175 . 133 HIS HA H 4.17 0.02 1 1176 . 133 HIS CB C 29.0 0.1 1 1177 . 133 HIS HB2 H 2.12 0.02 2 1178 . 133 HIS HB3 H 1.98 0.02 2 1179 . 133 HIS C C 177.0 0.1 1 1180 . 134 THR N N 113.4 0.1 1 1181 . 134 THR H H 8.41 0.02 1 1182 . 134 THR CA C 65.3 0.1 1 1183 . 134 THR HA H 3.89 0.02 1 1184 . 134 THR CB C 68.8 0.1 1 1185 . 134 THR HB H 4.19 0.02 1 1186 . 134 THR HG2 H 1.29 0.02 1 1187 . 134 THR CG2 C 22.8 0.1 1 1188 . 134 THR C C 170.8 0.1 1 1189 . 135 GLY N N 108.9 0.1 1 1190 . 135 GLY H H 8.58 0.02 1 1191 . 135 GLY CA C 44.8 0.1 1 1192 . 135 GLY HA2 H 4.33 0.02 2 1193 . 135 GLY HA3 H 3.72 0.02 2 1194 . 135 GLY C C 176.2 0.1 1 1195 . 136 ASP N N 116.9 0.1 1 1196 . 136 ASP H H 7.32 0.02 1 1197 . 136 ASP CA C 53.3 0.1 1 1198 . 136 ASP HA H 4.83 0.02 1 1199 . 136 ASP CB C 41.3 0.1 1 1200 . 136 ASP HB2 H 2.87 0.02 2 1201 . 136 ASP HB3 H 2.65 0.02 2 1202 . 136 ASP C C 175.0 0.1 1 1203 . 137 LEU N N 122.2 0.1 1 1204 . 137 LEU H H 7.22 0.02 1 1205 . 137 LEU CA C 54.5 0.1 1 1206 . 137 LEU HA H 5.20 0.02 1 1207 . 137 LEU CB C 43.0 0.1 1 1208 . 137 LEU HB2 H 1.77 0.02 2 1209 . 137 LEU HB3 H 1.33 0.02 2 1210 . 137 LEU CG C 27.2 0.1 1 1211 . 137 LEU HG H 1.78 0.02 1 1212 . 137 LEU HD1 H 0.52 0.02 2 1213 . 137 LEU HD2 H 0.47 0.02 2 1214 . 137 LEU CD1 C 26.3 0.1 1 1215 . 137 LEU CD2 C 26.3 0.1 1 1216 . 137 LEU C C 175.9 0.1 1 1217 . 138 SER N N 118.8 0.1 1 1218 . 138 SER H H 9.23 0.02 1 1219 . 138 SER CA C 57.1 0.1 1 1220 . 138 SER HA H 4.71 0.02 1 1221 . 138 SER CB C 66.4 0.1 1 1222 . 138 SER HB2 H 4.23 0.02 2 1223 . 138 SER HB3 H 3.95 0.02 2 1224 . 138 SER C C 175.7 0.1 1 1225 . 139 ALA N N 120.8 0.1 1 1226 . 139 ALA H H 8.84 0.02 1 1227 . 139 ALA CA C 53.9 0.1 1 1228 . 139 ALA HA H 4.83 0.02 1 1229 . 139 ALA HB H 1.70 0.02 1 1230 . 139 ALA CB C 18.1 0.1 1 1231 . 139 ALA C C 173.5 0.1 1 1232 . 140 ALA N N 118.3 0.1 1 1233 . 140 ALA H H 8.15 0.02 1 1234 . 140 ALA CA C 53.8 0.1 1 1235 . 140 ALA HA H 4.28 0.02 1 1236 . 140 ALA HB H 1.36 0.02 1 1237 . 140 ALA CB C 18.7 0.1 1 1238 . 140 ALA C C 177.5 0.1 1 1239 . 141 ASN N N 113.4 0.1 1 1240 . 141 ASN H H 7.75 0.02 1 1241 . 141 ASN CA C 52.4 0.1 1 1242 . 141 ASN HA H 4.81 0.02 1 1243 . 141 ASN CB C 38.9 0.1 1 1244 . 141 ASN HB2 H 3.86 0.02 2 1245 . 141 ASN HB3 H 3.00 0.02 2 1246 . 141 ASN ND2 N 107.2 0.1 1 1247 . 141 ASN HD21 H 7.68 0.02 2 1248 . 141 ASN HD22 H 7.32 0.02 2 1249 . 141 ASN C C 179.2 0.1 1 1250 . 142 VAL N N 120.9 0.1 1 1251 . 142 VAL H H 7.66 0.02 1 1252 . 142 VAL CA C 61.2 0.1 1 1253 . 142 VAL HA H 4.72 0.02 1 1254 . 142 VAL CB C 33.1 0.1 1 1255 . 142 VAL HB H 1.73 0.02 1 1256 . 142 VAL HG1 H -0.05 0.02 2 1257 . 142 VAL HG2 H 0.88 0.02 2 1258 . 142 VAL CG1 C 22.2 0.1 1 1259 . 142 VAL CG2 C 21.9 0.1 1 1260 . 142 VAL C C 172.9 0.1 1 1261 . 143 VAL N N 125.5 0.1 1 1262 . 143 VAL H H 8.73 0.02 1 1263 . 143 VAL CA C 61.5 0.1 1 1264 . 143 VAL HA H 3.98 0.02 1 1265 . 143 VAL CB C 32.4 0.1 1 1266 . 143 VAL HB H 2.14 0.02 1 1267 . 143 VAL HG1 H 0.99 0.02 2 1268 . 143 VAL HG2 H 0.89 0.02 2 1269 . 143 VAL CG1 C 21.9 0.1 1 1270 . 143 VAL CG2 C 19.6 0.1 1 1271 . 143 VAL C C 174.1 0.1 1 1272 . 144 PHE N N 124.6 0.1 1 1273 . 144 PHE H H 8.48 0.02 1 1274 . 144 PHE CA C 59.4 0.1 1 1275 . 144 PHE HA H 4.38 0.02 1 1276 . 144 PHE CB C 40.1 0.1 1 1277 . 144 PHE HB2 H 3.39 0.02 2 1278 . 144 PHE HB3 H 2.66 0.02 2 1279 . 144 PHE HD1 H 7.30 0.02 1 1280 . 144 PHE C C 175.5 0.1 1 1281 . 145 ALA N N 120.5 0.1 1 1282 . 145 ALA H H 7.77 0.02 1 1283 . 145 ALA CA C 51.5 0.1 1 1284 . 145 ALA HA H 4.53 0.02 1 1285 . 145 ALA HB H 1.43 0.02 1 1286 . 145 ALA CB C 21.0 0.1 1 1287 . 145 ALA C C 175.3 0.1 1 1288 . 146 ALA N N 124.3 0.1 1 1289 . 146 ALA H H 8.53 0.02 1 1290 . 146 ALA CA C 52.1 0.1 1 1291 . 146 ALA HA H 4.44 0.02 1 1292 . 146 ALA HB H 1.41 0.02 1 1293 . 146 ALA CB C 19.0 0.1 1 1294 . 146 ALA C C 176.2 0.1 1 1295 . 147 THR N N 114.2 0.1 1 1296 . 147 THR H H 8.13 0.02 1 1297 . 147 THR CA C 61.5 0.1 1 1298 . 147 THR HA H 4.26 0.02 1 1299 . 147 THR CB C 69.9 0.1 1 1300 . 147 THR HB H 4.17 0.02 1 1301 . 147 THR C C 178.0 0.1 1 1302 . 148 GLY N N 111.8 0.1 1 1303 . 148 GLY H H 8.37 0.02 1 1304 . 148 GLY CA C 45.1 0.1 1 1305 . 148 GLY HA2 H 4.08 0.02 2 1306 . 148 GLY HA3 H 4.01 0.02 2 1307 . 148 GLY C C 175.3 0.1 1 1308 . 149 THR N N 114.3 0.1 1 1309 . 149 THR H H 8.04 0.02 1 1310 . 149 THR CA C 61.8 0.1 1 1311 . 149 THR HA H 4.46 0.02 1 1312 . 149 THR CB C 69.5 0.1 1 1313 . 149 THR HB H 4.26 0.02 1 1314 . 149 THR HG2 H 1.20 0.02 1 1315 . 149 THR CG2 C 21.7 0.1 1 1316 . 149 THR C C 174.4 0.1 1 1317 . 150 THR N N 117.1 0.1 1 1318 . 150 THR H H 8.20 0.02 1 1319 . 150 THR CA C 61.5 0.1 1 1320 . 150 THR HA H 4.47 0.02 1 1321 . 150 THR CB C 69.7 0.1 1 1322 . 150 THR HB H 4.29 0.02 1 1323 . 150 THR HG2 H 1.28 0.02 1 1324 . 150 THR CG2 C 21.2 0.1 1 1325 . 150 THR C C 175.0 0.1 1 1326 . 151 THR N N 117.4 0.1 1 1327 . 151 THR H H 8.12 0.02 1 1328 . 151 THR CA C 62.0 0.1 1 1329 . 151 THR HA H 4.34 0.02 1 1330 . 151 THR CB C 69.4 0.1 1 1331 . 151 THR HB H 4.21 0.02 1 1332 . 151 THR HG2 H 1.19 0.02 1 1333 . 151 THR CG2 C 21.6 0.1 1 1334 . 151 THR C C 174.7 0.1 1 1335 . 152 GLU N N 124.1 0.1 1 1336 . 152 GLU H H 8.33 0.02 1 1337 . 152 GLU CA C 56.5 0.1 1 1338 . 152 GLU HA H 4.29 0.02 1 1339 . 152 GLU CB C 29.8 0.1 1 1340 . 152 GLU HB2 H 2.07 0.02 2 1341 . 152 GLU HB3 H 1.96 0.02 2 1342 . 152 GLU CG C 32.4 0.1 1 1343 . 152 GLU HG2 H 2.27 0.02 2 1344 . 152 GLU C C 174.5 0.1 1 1345 . 153 LEU N N 123.7 0.1 1 1346 . 153 LEU H H 8.11 0.02 1 1347 . 153 LEU CA C 55.0 0.1 1 1348 . 153 LEU HA H 4.32 0.02 1 1349 . 153 LEU CB C 42.1 0.1 1 1350 . 153 LEU HB2 H 1.68 0.02 2 1351 . 153 LEU HB3 H 1.59 0.02 2 1352 . 153 LEU HD1 H 0.95 0.02 2 1353 . 153 LEU HD2 H 0.84 0.02 2 1354 . 153 LEU CD1 C 24.5 0.1 1 1355 . 153 LEU CD2 C 24.5 0.1 1 1356 . 153 LEU C C 176.2 0.1 1 1357 . 154 GLU N N 122.9 0.1 1 1358 . 154 GLU H H 8.24 0.02 1 1359 . 154 GLU CA C 56.4 0.1 1 1360 . 154 GLU HA H 4.30 0.02 1 1361 . 154 GLU CB C 29.9 0.1 1 1362 . 154 GLU HB2 H 2.04 0.02 2 1363 . 154 GLU HB3 H 1.93 0.02 2 1364 . 154 GLU CG C 36.2 0.1 1 1365 . 154 GLU HG2 H 2.22 0.02 2 1366 . 154 GLU HG3 H 2.30 0.02 2 1367 . 154 GLU C C 177.4 0.1 1 1368 . 155 VAL N N 122.4 0.1 1 1369 . 155 VAL H H 8.06 0.02 1 1370 . 155 VAL CA C 62.1 0.1 1 1371 . 155 VAL HA H 4.13 0.02 1 1372 . 155 VAL CB C 32.4 0.1 1 1373 . 155 VAL HB H 2.07 0.02 1 1374 . 155 VAL HG1 H 0.94 0.02 2 1375 . 155 VAL HG2 H 0.92 0.02 2 1376 . 155 VAL CG1 C 21.0 0.1 1 1377 . 155 VAL CG2 C 21.0 0.1 1 1378 . 155 VAL C C 176.4 0.1 1 1379 . 156 LEU N N 126.7 0.1 1 1380 . 156 LEU H H 8.25 0.02 1 1381 . 156 LEU CA C 55.0 0.1 1 1382 . 156 LEU HA H 4.37 0.02 1 1383 . 156 LEU CB C 42.1 0.1 1 1384 . 156 LEU HB2 H 1.71 0.02 2 1385 . 156 LEU HB3 H 1.62 0.02 2 1386 . 156 LEU HD1 H 0.95 0.02 2 1387 . 156 LEU HD2 H 0.91 0.02 2 1388 . 156 LEU CD1 C 26.3 0.1 1 1389 . 156 LEU CD2 C 26.3 0.1 1 1390 . 156 LEU C C 176.2 0.1 1 1391 . 157 GLY N N 110.2 0.1 1 1392 . 157 GLY H H 8.23 0.02 1 1393 . 157 GLY CA C 45.0 0.1 1 1394 . 157 GLY HA2 H 4.00 0.02 2 1395 . 157 GLY HA3 H 3.94 0.02 2 1396 . 157 GLY C C 178.0 0.1 1 1397 . 158 ASP N N 121.2 0.1 1 1398 . 158 ASP H H 8.17 0.02 1 1399 . 158 ASP CA C 54.4 0.1 1 1400 . 158 ASP HA H 4.67 0.02 1 1401 . 158 ASP CB C 41.2 0.1 1 1402 . 158 ASP HB2 H 2.74 0.02 2 1403 . 158 ASP HB3 H 2.69 0.02 2 1404 . 158 ASP C C 173.9 0.1 1 1405 . 159 SER N N 117.2 0.1 1 1406 . 159 SER H H 8.31 0.02 1 1407 . 159 SER CA C 58.7 0.1 1 1408 . 159 SER HA H 4.50 0.02 1 1409 . 159 SER CB C 63.6 0.1 1 1410 . 159 SER HB2 H 4.00 0.02 2 1411 . 159 SER HB3 H 3.93 0.02 2 1412 . 159 SER C C 176.8 0.1 1 1413 . 160 GLY N N 111.3 0.1 1 1414 . 160 GLY H H 8.41 0.02 1 1415 . 160 GLY CA C 45.3 0.1 1 1416 . 160 GLY HA2 H 4.08 0.02 2 1417 . 160 GLY HA3 H 3.96 0.02 2 1418 . 160 GLY C C 175.3 0.1 1 1419 . 161 THR N N 114.3 0.1 1 1420 . 161 THR H H 7.95 0.02 1 1421 . 161 THR CA C 62.9 0.1 1 1422 . 161 THR HA H 4.41 0.02 1 1423 . 161 THR CB C 69.7 0.1 1 1424 . 161 THR HB H 4.22 0.02 1 1425 . 161 THR HG2 H 1.21 0.02 1 1426 . 161 THR CG2 C 21.3 0.1 1 1427 . 161 THR C C 174.6 0.1 1 1428 . 162 GLN N N 123.5 0.1 1 1429 . 162 GLN H H 8.34 0.02 1 1430 . 162 GLN CA C 55.6 0.1 1 1431 . 162 GLN HA H 4.35 0.02 1 1432 . 162 GLN CB C 28.9 0.1 1 1433 . 162 GLN HB2 H 2.14 0.02 2 1434 . 162 GLN HB3 H 2.01 0.02 2 1435 . 162 GLN CG C 32.1 0.1 1 1436 . 162 GLN HG2 H 2.38 0.02 2 1437 . 162 GLN NE2 N 113.2 0.1 1 1438 . 162 GLN HE21 H 7.42 0.02 2 1439 . 162 GLN HE22 H 6.74 0.02 2 1440 . 162 GLN C C 174.9 0.1 1 1441 . 163 ALA N N 126.2 0.1 1 1442 . 163 ALA H H 8.27 0.02 1 1443 . 163 ALA CA C 52.6 0.1 1 1444 . 163 ALA HA H 4.34 0.02 1 1445 . 163 ALA HB H 1.38 0.02 1 1446 . 163 ALA CB C 19.1 0.1 1 1447 . 163 ALA C C 175.9 0.1 1 1448 . 164 GLY N N 109.0 0.1 1 1449 . 164 GLY H H 8.26 0.02 1 1450 . 164 GLY CA C 44.8 0.1 1 1451 . 164 GLY HA2 H 4.00 0.02 2 1452 . 164 GLY HA3 H 3.90 0.02 2 1453 . 164 GLY C C 178.2 0.1 1 1454 . 165 ALA N N 124.2 0.1 1 1455 . 165 ALA H H 7.92 0.02 1 1456 . 165 ALA CA C 52.0 0.1 1 1457 . 165 ALA HA H 4.34 0.02 1 1458 . 165 ALA HB H 1.42 0.02 1 1459 . 165 ALA CB C 19.3 0.1 1 1460 . 165 ALA C C 173.8 0.1 1 1461 . 166 ILE N N 121.6 0.1 1 1462 . 166 ILE H H 8.08 0.02 1 1463 . 166 ILE CA C 61.2 0.1 1 1464 . 166 ILE HA H 4.12 0.02 1 1465 . 166 ILE CB C 38.3 0.1 1 1466 . 166 ILE HB H 1.88 0.02 1 1467 . 166 ILE HG2 H 0.94 0.02 1 1468 . 166 ILE CG2 C 17.4 0.1 1 1469 . 166 ILE CG1 C 27.2 0.1 1 1470 . 166 ILE HG12 H 1.50 0.02 2 1471 . 166 ILE HG13 H 1.27 0.02 2 1472 . 166 ILE HD1 H 0.85 0.02 1 1473 . 166 ILE CD1 C 12.6 0.1 1 1474 . 166 ILE C C 177.7 0.1 1 1475 . 167 VAL N N 129.2 0.1 1 1476 . 167 VAL H H 7.63 0.02 1 1477 . 167 VAL CA C 63.5 0.1 1 1478 . 167 VAL HA H 4.04 0.02 1 1479 . 167 VAL CB C 33.1 0.1 1 1480 . 167 VAL HB H 2.04 0.02 1 1481 . 167 VAL HG1 H 0.91 0.02 2 1482 . 167 VAL HG2 H 0.88 0.02 2 1483 . 167 VAL CG1 C 21.2 0.1 1 1484 . 167 VAL CG2 C 21.2 0.1 1 1485 . 167 VAL C C 175.6 0.1 1 stop_ save_