data_6644 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR assignments for AlgH, a putative transcriptional regulator from Pseudomonas aeruginosa ; _BMRB_accession_number 6644 _BMRB_flat_file_name bmr6644.str _Entry_type original _Submission_date 2005-05-23 _Accession_date 2005-05-23 _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 Cowley Aaron B. . 2 'Bieber Urbauer' Ramona J. . 3 Urbauer Jeffrey L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1040 "13C chemical shifts" 804 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-13 update author 'update the chemical shifts' 2006-09-27 update author 'update the chemical shifts' 2005-10-26 original author 'original release' stop_ _Original_release_date 2015-04-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N NMR Assignments for AlgH, a Putative Transcriptional Regulator from Pseudomonas Aeruginosa ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16222564 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cowley Aaron B. . 2 'Bieber Urbauer' Ramona J. . 3 Urbauer Jeffrey L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 74 _Page_last 74 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name assembly_AlgH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AlgH $AlgH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AlgH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AlgH _Molecular_mass 21339.08 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; MKQSSPTYLKHHFLIAMPHM ADPNFAQTVTYLVEHNEQGA MGLVINRPSGLNLAEVLEQL KPDALPPARCQHIDIYNGGP VQTDRGFVLHPSGLSYQSTL ELGELAMSTSQDVLFAIAAG TGPEKSLISLGYAGWEAGQL EAELSDNAWLTCPADPAILF DLPPEERLSAAAARLGVNLS LLTAQAGHA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLN 4 SER 5 SER 6 PRO 7 THR 8 TYR 9 LEU 10 LYS 11 HIS 12 HIS 13 PHE 14 LEU 15 ILE 16 ALA 17 MET 18 PRO 19 HIS 20 MET 21 ALA 22 ASP 23 PRO 24 ASN 25 PHE 26 ALA 27 GLN 28 THR 29 VAL 30 THR 31 TYR 32 LEU 33 VAL 34 GLU 35 HIS 36 ASN 37 GLU 38 GLN 39 GLY 40 ALA 41 MET 42 GLY 43 LEU 44 VAL 45 ILE 46 ASN 47 ARG 48 PRO 49 SER 50 GLY 51 LEU 52 ASN 53 LEU 54 ALA 55 GLU 56 VAL 57 LEU 58 GLU 59 GLN 60 LEU 61 LYS 62 PRO 63 ASP 64 ALA 65 LEU 66 PRO 67 PRO 68 ALA 69 ARG 70 CYS 71 GLN 72 HIS 73 ILE 74 ASP 75 ILE 76 TYR 77 ASN 78 GLY 79 GLY 80 PRO 81 VAL 82 GLN 83 THR 84 ASP 85 ARG 86 GLY 87 PHE 88 VAL 89 LEU 90 HIS 91 PRO 92 SER 93 GLY 94 LEU 95 SER 96 TYR 97 GLN 98 SER 99 THR 100 LEU 101 GLU 102 LEU 103 GLY 104 GLU 105 LEU 106 ALA 107 MET 108 SER 109 THR 110 SER 111 GLN 112 ASP 113 VAL 114 LEU 115 PHE 116 ALA 117 ILE 118 ALA 119 ALA 120 GLY 121 THR 122 GLY 123 PRO 124 GLU 125 LYS 126 SER 127 LEU 128 ILE 129 SER 130 LEU 131 GLY 132 TYR 133 ALA 134 GLY 135 TRP 136 GLU 137 ALA 138 GLY 139 GLN 140 LEU 141 GLU 142 ALA 143 GLU 144 LEU 145 SER 146 ASP 147 ASN 148 ALA 149 TRP 150 LEU 151 THR 152 CYS 153 PRO 154 ALA 155 ASP 156 PRO 157 ALA 158 ILE 159 LEU 160 PHE 161 ASP 162 LEU 163 PRO 164 PRO 165 GLU 166 GLU 167 ARG 168 LEU 169 SER 170 ALA 171 ALA 172 ALA 173 ALA 174 ARG 175 LEU 176 GLY 177 VAL 178 ASN 179 LEU 180 SER 181 LEU 182 LEU 183 THR 184 ALA 185 GLN 186 ALA 187 GLY 188 HIS 189 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AlgH 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $AlgH 'recombinant technology' 'E. coli.' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AlgH 1.3 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM . KCl 10 mM . DTT 5 mM . D2O 8 % . H2O 92 % . 'Sodium azide' 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name FELIX _Version 2000 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Triple resonance; cryoprobe.' save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HCCH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label . save_ save_H(CCO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(CCO)NH TOCSY' _Sample_label . save_ save_C(CO)NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH TOCSY' _Sample_label . save_ save_1H13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label . save_ save_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.02 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical 'outside sample' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'outside sample' parallel 1.0 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'outside sample' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCO stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name AlgH _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 LYS HA H 4.36 0.02 1 2 2 2 LYS HB2 H 1.79 0.02 2 3 2 2 LYS HB3 H 1.77 0.02 2 4 2 2 LYS HG2 H 1.37 0.02 2 5 2 2 LYS HG3 H 1.44 0.02 2 6 2 2 LYS HD2 H 1.72 0.02 2 7 2 2 LYS HD3 H 1.68 0.02 2 8 2 2 LYS HE2 H 3.00 0.02 2 9 2 2 LYS HE3 H 3.06 0.02 2 10 2 2 LYS C C 176.04 0.10 1 11 2 2 LYS CA C 56.48 0.10 1 12 2 2 LYS CB C 33.27 0.10 1 13 2 2 LYS CG C 24.52 0.10 1 14 2 2 LYS CD C 29.18 0.10 1 15 2 2 LYS CE C 42.24 0.10 1 16 3 3 GLN H H 8.60 0.02 1 17 3 3 GLN HA H 4.38 0.02 1 18 3 3 GLN HB2 H 2.12 0.02 2 19 3 3 GLN HB3 H 1.99 0.02 2 20 3 3 GLN HG2 H 2.38 0.02 2 21 3 3 GLN HG3 H 2.41 0.02 2 22 3 3 GLN HE21 H 7.50 0.02 1 23 3 3 GLN HE22 H 6.83 0.02 1 24 3 3 GLN C C 175.85 0.10 1 25 3 3 GLN CA C 55.72 0.10 1 26 3 3 GLN CB C 29.75 0.10 1 27 3 3 GLN CG C 33.84 0.10 1 28 3 3 GLN N N 123.01 0.10 1 29 3 3 GLN NE2 N 112.31 0.10 1 30 4 4 SER H H 8.46 0.02 1 31 4 4 SER HA H 4.45 0.02 1 32 4 4 SER HB2 H 3.83 0.02 2 33 4 4 SER HB3 H 3.83 0.02 2 34 4 4 SER C C 174.09 0.10 1 35 4 4 SER CA C 58.55 0.10 1 36 4 4 SER CB C 63.94 0.10 1 37 4 4 SER N N 117.96 0.10 1 38 5 5 SER H H 8.28 0.02 1 39 5 5 SER HA H 4.72 0.02 1 40 5 5 SER HB2 H 3.81 0.02 2 41 5 5 SER HB3 H 3.72 0.02 2 42 5 5 SER CA C 56.55 0.10 1 43 5 5 SER CB C 63.32 0.10 1 44 5 5 SER N N 118.61 0.10 1 45 6 6 PRO HA H 4.31 0.02 1 46 6 6 PRO HB2 H 2.06 0.02 2 47 6 6 PRO HB3 H 1.48 0.02 2 48 6 6 PRO HG2 H 1.93 0.02 2 49 6 6 PRO HG3 H 1.86 0.02 2 50 6 6 PRO HD2 H 3.72 0.02 2 51 6 6 PRO HD3 H 3.58 0.02 2 52 6 6 PRO C C 175.85 0.10 1 53 6 6 PRO CA C 62.99 0.10 1 54 6 6 PRO CB C 32.03 0.10 1 55 6 6 PRO CG C 27.32 0.10 1 56 6 6 PRO CD C 50.63 0.10 1 57 7 7 THR H H 7.90 0.02 1 58 7 7 THR HA H 3.98 0.02 1 59 7 7 THR HB H 3.78 0.02 1 60 7 7 THR HG2 H 0.90 0.02 1 61 7 7 THR C C 173.11 0.10 1 62 7 7 THR CA C 62.05 0.10 1 63 7 7 THR CB C 69.95 0.10 1 64 7 7 THR CG2 C 21.16 0.10 1 65 7 7 THR N N 116.07 0.10 1 66 8 8 TYR H H 7.98 0.02 1 67 8 8 TYR HA H 4.38 0.02 1 68 8 8 TYR HB2 H 2.81 0.02 2 69 8 8 TYR HB3 H 2.48 0.02 2 70 8 8 TYR HD1 H 5.90 0.02 3 71 8 8 TYR HD2 H 5.90 0.02 3 72 8 8 TYR HE1 H 6.39 0.02 3 73 8 8 TYR HE2 H 6.39 0.02 3 74 8 8 TYR C C 177.41 0.10 1 75 8 8 TYR CA C 57.10 0.10 1 76 8 8 TYR CB C 39.49 0.10 1 77 8 8 TYR CD1 C 132.42 0.10 3 78 8 8 TYR CD2 C 132.42 0.10 3 79 8 8 TYR CE1 C 117.27 0.10 3 80 8 8 TYR CE2 C 117.27 0.10 3 81 8 8 TYR N N 122.17 0.10 1 82 9 9 LEU H H 11.01 0.02 1 83 9 9 LEU HA H 3.85 0.02 1 84 9 9 LEU HB2 H 1.30 0.02 2 85 9 9 LEU HB3 H 1.03 0.02 2 86 9 9 LEU HG H 1.18 0.02 1 87 9 9 LEU HD1 H 0.43 0.02 1 88 9 9 LEU HD2 H 0.05 0.02 1 89 9 9 LEU C C 175.46 0.10 1 90 9 9 LEU CA C 54.08 0.10 1 91 9 9 LEU CB C 41.56 0.10 1 92 9 9 LEU CG C 26.39 0.10 1 93 9 9 LEU CD1 C 26.39 0.10 1 94 9 9 LEU CD2 C 21.82 0.10 1 95 9 9 LEU N N 126.77 0.10 1 96 10 10 LYS H H 7.03 0.02 1 97 10 10 LYS HA H 3.64 0.02 1 98 10 10 LYS HB2 H 1.76 0.02 2 99 10 10 LYS HG2 H 1.32 0.02 2 100 10 10 LYS HD2 H 1.80 0.02 2 101 10 10 LYS HE2 H 3.10 0.02 2 102 10 10 LYS C C 178.29 0.10 1 103 10 10 LYS CA C 58.19 0.10 1 104 10 10 LYS CB C 32.65 0.10 1 105 10 10 LYS CG C 24.73 0.10 1 106 10 10 LYS CD C 29.78 0.10 1 107 10 10 LYS CE C 41.83 0.10 1 108 10 10 LYS N N 117.51 0.10 1 109 11 11 HIS H H 9.04 0.02 1 110 11 11 HIS HA H 4.16 0.02 1 111 11 11 HIS HB2 H 3.82 0.02 2 112 11 11 HIS HB3 H 3.00 0.02 2 113 11 11 HIS HD2 H 7.08 0.02 1 114 11 11 HIS HE1 H 7.39 0.02 1 115 11 11 HIS C C 174.58 0.10 1 116 11 11 HIS CA C 56.66 0.10 1 117 11 11 HIS CB C 29.96 0.10 1 118 11 11 HIS CD2 C 118.45 0.10 1 119 11 11 HIS CE1 C 135.91 0.10 1 120 11 11 HIS N N 124.17 0.10 1 121 12 12 HIS H H 7.23 0.02 1 122 12 12 HIS HA H 4.60 0.02 1 123 12 12 HIS HB2 H 3.10 0.02 2 124 12 12 HIS HB3 H 2.88 0.02 2 125 12 12 HIS HD2 H 7.09 0.02 1 126 12 12 HIS HE1 H 7.78 0.02 1 127 12 12 HIS C C 174.58 0.10 1 128 12 12 HIS CA C 55.26 0.10 1 129 12 12 HIS CB C 31.62 0.10 1 130 12 12 HIS CD2 C 120.61 0.10 1 131 12 12 HIS CE1 C 138.52 0.10 1 132 12 12 HIS N N 115.68 0.10 1 133 13 13 PHE H H 9.24 0.02 1 134 13 13 PHE HA H 5.93 0.02 1 135 13 13 PHE HB2 H 3.20 0.02 2 136 13 13 PHE HB3 H 2.82 0.02 2 137 13 13 PHE HD1 H 7.10 0.02 3 138 13 13 PHE HD2 H 7.10 0.02 3 139 13 13 PHE HE1 H 7.21 0.02 3 140 13 13 PHE HE2 H 7.21 0.02 3 141 13 13 PHE C C 175.65 0.10 1 142 13 13 PHE CA C 53.15 0.10 1 143 13 13 PHE CB C 40.11 0.10 1 144 13 13 PHE CD1 C 130.81 0.10 3 145 13 13 PHE CD2 C 130.81 0.10 3 146 13 13 PHE CE1 C 127.22 0.10 3 147 13 13 PHE CE2 C 127.22 0.10 3 148 13 13 PHE N N 115.04 0.10 1 149 14 14 LEU H H 9.20 0.02 1 150 14 14 LEU HA H 4.94 0.02 1 151 14 14 LEU HB2 H 0.93 0.02 2 152 14 14 LEU HB3 H 0.88 0.02 2 153 14 14 LEU HG H 0.86 0.02 1 154 14 14 LEU HD1 H -0.61 0.02 1 155 14 14 LEU HD2 H -0.09 0.02 1 156 14 14 LEU C C 176.73 0.10 1 157 14 14 LEU CA C 53.15 0.10 1 158 14 14 LEU CB C 44.16 0.10 1 159 14 14 LEU CG C 25.73 0.10 1 160 14 14 LEU CD1 C 25.35 0.10 1 161 14 14 LEU CD2 C 22.99 0.10 1 162 14 14 LEU N N 119.51 0.10 1 163 15 15 ILE H H 9.50 0.02 1 164 15 15 ILE HA H 4.63 0.02 1 165 15 15 ILE HB H 1.78 0.02 1 166 15 15 ILE HG12 H 1.46 0.02 2 167 15 15 ILE HG2 H 0.90 0.02 1 168 15 15 ILE HD1 H 0.80 0.02 1 169 15 15 ILE C C 175.46 0.10 1 170 15 15 ILE CA C 60.88 0.10 1 171 15 15 ILE CB C 40.84 0.10 1 172 15 15 ILE CG1 C 28.95 0.10 1 173 15 15 ILE CG2 C 18.69 0.10 1 174 15 15 ILE CD1 C 15.66 0.10 1 175 15 15 ILE N N 125.58 0.10 1 176 16 16 ALA H H 8.36 0.02 1 177 16 16 ALA HA H 4.29 0.02 1 178 16 16 ALA HB H 1.52 0.02 1 179 16 16 ALA C C 177.12 0.10 1 180 16 16 ALA CA C 53.73 0.10 1 181 16 16 ALA CB C 20.48 0.10 1 182 16 16 ALA N N 130.24 0.10 1 183 17 17 MET H H 7.62 0.02 1 184 17 17 MET HB2 H 2.76 0.02 2 185 17 17 MET HB3 H 2.19 0.02 2 186 17 17 MET HE H 2.09 0.02 1 187 17 17 MET CA C 53.15 0.10 1 188 17 17 MET CB C 33.28 0.10 1 189 17 17 MET CE C 16.86 0.10 1 190 17 17 MET N N 120.57 0.10 1 191 18 18 PRO HA H 3.96 0.02 1 192 18 18 PRO HD2 H 4.00 0.02 2 193 18 18 PRO HD3 H 3.95 0.02 2 194 18 18 PRO C C 176.63 0.10 1 195 18 18 PRO CA C 65.18 0.10 1 196 18 18 PRO CB C 32.03 0.10 1 197 18 18 PRO CD C 50.70 0.10 1 198 19 19 HIS H H 7.79 0.02 1 199 19 19 HIS HA H 4.52 0.02 1 200 19 19 HIS HB2 H 3.21 0.02 2 201 19 19 HIS HB3 H 2.92 0.02 2 202 19 19 HIS HD1 H 10.82 0.02 1 203 19 19 HIS HD2 H 6.89 0.02 1 204 19 19 HIS HE1 H 7.93 0.02 1 205 19 19 HIS C C 175.16 0.10 1 206 19 19 HIS CA C 56.19 0.10 1 207 19 19 HIS CB C 29.34 0.10 1 208 19 19 HIS CD2 C 118.65 0.10 1 209 19 19 HIS CE1 C 138.84 0.10 1 210 19 19 HIS N N 111.63 0.10 1 211 20 20 MET H H 7.55 0.02 1 212 20 20 MET HA H 4.20 0.02 1 213 20 20 MET HB2 H 1.97 0.02 2 214 20 20 MET HB3 H 1.81 0.02 2 215 20 20 MET HG2 H 2.11 0.02 2 216 20 20 MET HG3 H 1.91 0.02 2 217 20 20 MET HE H 2.11 0.02 1 218 20 20 MET C C 175.07 0.10 1 219 20 20 MET CA C 55.61 0.10 1 220 20 20 MET CB C 30.58 0.10 1 221 20 20 MET CE C 17.92 0.10 1 222 20 20 MET N N 121.82 0.10 1 223 21 21 ALA H H 8.32 0.02 1 224 21 21 ALA HA H 4.27 0.02 1 225 21 21 ALA HB H 1.35 0.02 1 226 21 21 ALA C C 177.51 0.10 1 227 21 21 ALA CA C 52.33 0.10 1 228 21 21 ALA CB C 19.48 0.10 1 229 21 21 ALA N N 128.44 0.10 1 230 22 22 ASP H H 7.32 0.02 1 231 22 22 ASP HB2 H 2.98 0.02 2 232 22 22 ASP HB3 H 2.73 0.02 2 233 22 22 ASP C C 175.85 0.10 1 234 22 22 ASP CA C 51.62 0.10 1 235 22 22 ASP CB C 42.34 0.10 1 236 22 22 ASP N N 120.60 0.10 1 237 23 23 PRO HA H 4.31 0.02 1 238 23 23 PRO HB2 H 2.35 0.02 2 239 23 23 PRO HB3 H 1.95 0.02 2 240 23 23 PRO HG2 H 2.02 0.02 2 241 23 23 PRO HG3 H 1.95 0.02 2 242 23 23 PRO HD2 H 3.92 0.02 2 243 23 23 PRO HD3 H 4.00 0.02 2 244 23 23 PRO C C 178.68 0.10 1 245 23 23 PRO CA C 64.52 0.10 1 246 23 23 PRO CB C 32.24 0.10 1 247 23 23 PRO CG C 27.18 0.10 1 248 23 23 PRO CD C 51.23 0.10 1 249 24 24 ASN H H 8.77 0.02 1 250 24 24 ASN HA H 4.29 0.02 1 251 24 24 ASN HB2 H 2.39 0.02 2 252 24 24 ASN HB3 H 1.93 0.02 2 253 24 24 ASN HD21 H 8.13 0.02 1 254 24 24 ASN HD22 H 6.98 0.02 1 255 24 24 ASN C C 175.26 0.10 1 256 24 24 ASN CA C 55.26 0.10 1 257 24 24 ASN CB C 38.15 0.10 1 258 24 24 ASN N N 116.10 0.10 1 259 24 24 ASN ND2 N 115.88 0.10 1 260 25 25 PHE H H 7.55 0.02 1 261 25 25 PHE HA H 4.96 0.02 1 262 25 25 PHE HB2 H 3.50 0.02 2 263 25 25 PHE HB3 H 2.68 0.02 2 264 25 25 PHE HD1 H 7.13 0.02 3 265 25 25 PHE HD2 H 7.13 0.02 3 266 25 25 PHE HE1 H 6.80 0.02 3 267 25 25 PHE HE2 H 6.80 0.02 3 268 25 25 PHE C C 176.63 0.10 1 269 25 25 PHE CA C 57.01 0.10 1 270 25 25 PHE CB C 42.08 0.10 1 271 25 25 PHE CD1 C 131.04 0.10 3 272 25 25 PHE CD2 C 131.04 0.10 3 273 25 25 PHE CE1 C 129.54 0.10 3 274 25 25 PHE CE2 C 129.54 0.10 3 275 25 25 PHE N N 112.95 0.10 1 276 26 26 ALA H H 7.72 0.02 1 277 26 26 ALA HA H 4.01 0.02 1 278 26 26 ALA HB H 1.28 0.02 1 279 26 26 ALA C C 177.60 0.10 1 280 26 26 ALA CA C 54.08 0.10 1 281 26 26 ALA CB C 17.98 0.10 1 282 26 26 ALA N N 127.48 0.10 1 283 27 27 GLN H H 9.00 0.02 1 284 27 27 GLN HA H 3.96 0.02 1 285 27 27 GLN HB2 H 2.28 0.02 2 286 27 27 GLN HB3 H 2.19 0.02 2 287 27 27 GLN HG2 H 2.25 0.02 2 288 27 27 GLN HG3 H 1.91 0.02 2 289 27 27 GLN HE21 H 7.52 0.02 1 290 27 27 GLN HE22 H 6.82 0.02 1 291 27 27 GLN C C 175.75 0.10 1 292 27 27 GLN CA C 57.37 0.10 1 293 27 27 GLN CB C 26.23 0.10 1 294 27 27 GLN CG C 34.78 0.10 1 295 27 27 GLN N N 114.94 0.10 1 296 27 27 GLN NE2 N 111.76 0.10 1 297 28 28 THR H H 7.50 0.02 1 298 28 28 THR HA H 5.25 0.02 1 299 28 28 THR HB H 4.35 0.02 1 300 28 28 THR HG2 H 1.20 0.02 1 301 28 28 THR C C 174.38 0.10 1 302 28 28 THR CA C 61.00 0.10 1 303 28 28 THR CB C 73.68 0.10 1 304 28 28 THR CG2 C 22.42 0.10 1 305 28 28 THR N N 107.17 0.10 1 306 29 29 VAL H H 7.27 0.02 1 307 29 29 VAL HA H 4.91 0.02 1 308 29 29 VAL HB H 1.42 0.02 1 309 29 29 VAL HG1 H 0.26 0.02 1 310 29 29 VAL HG2 H 0.70 0.02 1 311 29 29 VAL C C 174.38 0.10 1 312 29 29 VAL CA C 60.77 0.10 1 313 29 29 VAL CB C 33.90 0.10 1 314 29 29 VAL CG1 C 20.56 0.10 1 315 29 29 VAL CG2 C 21.96 0.10 1 316 29 29 VAL N N 116.36 0.10 1 317 30 30 THR H H 9.16 0.02 1 318 30 30 THR HA H 5.14 0.02 1 319 30 30 THR HB H 3.69 0.02 1 320 30 30 THR HG2 H 1.00 0.02 1 321 30 30 THR C C 173.80 0.10 1 322 30 30 THR CA C 61.94 0.10 1 323 30 30 THR CB C 71.19 0.10 1 324 30 30 THR CG2 C 21.02 0.10 1 325 30 30 THR N N 125.26 0.10 1 326 31 31 TYR H H 9.54 0.02 1 327 31 31 TYR HA H 4.91 0.02 1 328 31 31 TYR HB2 H 2.85 0.02 2 329 31 31 TYR HB3 H 2.85 0.02 2 330 31 31 TYR HD1 H 6.60 0.02 3 331 31 31 TYR HD2 H 6.60 0.02 3 332 31 31 TYR HE1 H 6.31 0.02 3 333 31 31 TYR HE2 H 6.31 0.02 3 334 31 31 TYR C C 173.99 0.10 1 335 31 31 TYR CA C 57.72 0.10 1 336 31 31 TYR CB C 41.15 0.10 1 337 31 31 TYR CD1 C 132.48 0.10 3 338 31 31 TYR CD2 C 132.48 0.10 3 339 31 31 TYR CE1 C 117.71 0.10 3 340 31 31 TYR CE2 C 117.71 0.10 3 341 31 31 TYR N N 126.90 0.10 1 342 32 32 LEU H H 7.97 0.02 1 343 32 32 LEU HA H 4.36 0.02 1 344 32 32 LEU HB2 H 1.57 0.02 2 345 32 32 LEU HB3 H 0.83 0.02 2 346 32 32 LEU HG H 1.03 0.02 1 347 32 32 LEU HD1 H 0.18 0.02 1 348 32 32 LEU HD2 H 0.08 0.02 1 349 32 32 LEU C C 174.19 0.10 1 350 32 32 LEU CA C 54.55 0.10 1 351 32 32 LEU CB C 41.56 0.10 1 352 32 32 LEU CG C 26.45 0.10 1 353 32 32 LEU CD1 C 26.00 0.10 1 354 32 32 LEU CD2 C 23.82 0.10 1 355 32 32 LEU N N 128.83 0.10 1 356 33 33 VAL H H 8.41 0.02 1 357 33 33 VAL HA H 3.59 0.02 1 358 33 33 VAL HB H 1.95 0.02 1 359 33 33 VAL HG1 H 1.02 0.02 1 360 33 33 VAL HG2 H 1.15 0.02 1 361 33 33 VAL C C 175.55 0.10 1 362 33 33 VAL CA C 64.63 0.10 1 363 33 33 VAL CB C 33.69 0.10 1 364 33 33 VAL CG1 C 21.62 0.10 1 365 33 33 VAL CG2 C 22.24 0.10 1 366 33 33 VAL N N 128.47 0.10 1 367 34 34 GLU H H 7.89 0.02 1 368 34 34 GLU HA H 4.62 0.02 1 369 34 34 GLU HB2 H 1.87 0.02 2 370 34 34 GLU HB3 H 1.70 0.02 2 371 34 34 GLU HG2 H 2.14 0.02 2 372 34 34 GLU HG3 H 2.00 0.02 2 373 34 34 GLU C C 174.48 0.10 1 374 34 34 GLU CA C 54.08 0.10 1 375 34 34 GLU CB C 34.11 0.10 1 376 34 34 GLU CG C 36.64 0.10 1 377 34 34 GLU N N 114.65 0.10 1 378 35 35 HIS H H 8.88 0.02 1 379 35 35 HIS HA H 5.22 0.02 1 380 35 35 HIS HB2 H 2.90 0.02 2 381 35 35 HIS HB3 H 2.83 0.02 2 382 35 35 HIS HD2 H 7.06 0.02 1 383 35 35 HIS HE1 H 7.44 0.02 1 384 35 35 HIS C C 171.65 0.10 1 385 35 35 HIS CA C 55.02 0.10 1 386 35 35 HIS CB C 33.48 0.10 1 387 35 35 HIS CD2 C 118.31 0.10 1 388 35 35 HIS CE1 C 137.00 0.10 1 389 35 35 HIS N N 125.00 0.10 1 390 36 36 ASN H H 9.42 0.02 1 391 36 36 ASN HA H 3.12 0.02 1 392 36 36 ASN HB2 H 2.85 0.02 2 393 36 36 ASN HB3 H 2.70 0.02 2 394 36 36 ASN HD21 H 7.32 0.02 1 395 36 36 ASN HD22 H 6.75 0.02 1 396 36 36 ASN C C 174.97 0.10 1 397 36 36 ASN CA C 51.74 0.10 1 398 36 36 ASN CB C 38.26 0.10 1 399 36 36 ASN N N 126.58 0.10 1 400 36 36 ASN ND2 N 112.11 0.10 1 401 37 37 GLU H H 9.08 0.02 1 402 37 37 GLU HA H 4.23 0.02 1 403 37 37 GLU HB2 H 2.10 0.02 2 404 37 37 GLU HB3 H 2.06 0.02 2 405 37 37 GLU HG2 H 2.23 0.02 2 406 37 37 GLU HG3 H 2.31 0.02 2 407 37 37 GLU C C 177.21 0.10 1 408 37 37 GLU CA C 59.01 0.10 1 409 37 37 GLU CB C 28.92 0.10 1 410 37 37 GLU CG C 36.18 0.10 1 411 37 37 GLU N N 118.09 0.10 1 412 38 38 GLN H H 8.13 0.02 1 413 38 38 GLN HA H 4.40 0.02 1 414 38 38 GLN HB2 H 2.30 0.02 2 415 38 38 GLN HB3 H 2.06 0.02 2 416 38 38 GLN HG2 H 2.34 0.02 2 417 38 38 GLN HG3 H 2.04 0.02 2 418 38 38 GLN HE21 H 7.55 0.02 1 419 38 38 GLN HE22 H 6.80 0.02 1 420 38 38 GLN C C 175.16 0.10 1 421 38 38 GLN CA C 56.31 0.10 1 422 38 38 GLN CB C 29.13 0.10 1 423 38 38 GLN CG C 34.78 0.10 1 424 38 38 GLN N N 115.36 0.10 1 425 38 38 GLN NE2 N 111.98 0.10 1 426 39 39 GLY H H 7.71 0.02 1 427 39 39 GLY HA2 H 4.82 0.02 2 428 39 39 GLY HA3 H 3.56 0.02 2 429 39 39 GLY C C 170.48 0.10 1 430 39 39 GLY CA C 44.36 0.10 1 431 39 39 GLY N N 106.62 0.10 1 432 40 40 ALA H H 8.50 0.02 1 433 40 40 ALA HA H 5.04 0.02 1 434 40 40 ALA HB H 1.22 0.02 1 435 40 40 ALA C C 176.14 0.10 1 436 40 40 ALA CA C 51.27 0.10 1 437 40 40 ALA CB C 22.91 0.10 1 438 40 40 ALA N N 119.89 0.10 1 439 41 41 MET H H 8.70 0.02 1 440 41 41 MET HA H 5.58 0.02 1 441 41 41 MET HB2 H 2.15 0.02 2 442 41 41 MET HB3 H 1.64 0.02 2 443 41 41 MET HG2 H 2.34 0.02 2 444 41 41 MET HG3 H 2.18 0.02 2 445 41 41 MET HE H 2.10 0.02 1 446 41 41 MET C C 174.48 0.10 1 447 41 41 MET CA C 55.14 0.10 1 448 41 41 MET CB C 36.08 0.10 1 449 41 41 MET CG C 32.35 0.10 1 450 41 41 MET CE C 16.68 0.10 1 451 41 41 MET N N 121.88 0.10 1 452 42 42 GLY H H 10.25 0.02 1 453 42 42 GLY HA2 H 5.27 0.02 2 454 42 42 GLY HA3 H 3.90 0.02 2 455 42 42 GLY C C 169.79 0.10 1 456 42 42 GLY CA C 45.53 0.10 1 457 42 42 GLY N N 115.17 0.10 1 458 43 43 LEU H H 9.02 0.02 1 459 43 43 LEU HA H 5.29 0.02 1 460 43 43 LEU HB2 H 1.67 0.02 2 461 43 43 LEU HB3 H 1.47 0.02 2 462 43 43 LEU HG H 0.95 0.02 1 463 43 43 LEU HD1 H 0.91 0.02 2 464 43 43 LEU HD2 H 1.00 0.02 2 465 43 43 LEU C C 175.85 0.10 1 466 43 43 LEU CA C 52.91 0.10 1 467 43 43 LEU CB C 44.88 0.10 1 468 43 43 LEU CG C 26.29 0.10 1 469 43 43 LEU CD1 C 23.10 0.10 2 470 43 43 LEU CD2 C 24.29 0.10 2 471 43 43 LEU N N 118.51 0.10 1 472 44 44 VAL H H 10.06 0.02 1 473 44 44 VAL HA H 4.49 0.02 1 474 44 44 VAL HB H 2.06 0.02 1 475 44 44 VAL HG1 H 0.31 0.02 2 476 44 44 VAL HG2 H 1.30 0.02 2 477 44 44 VAL C C 180.44 0.10 1 478 44 44 VAL CA C 64.63 0.10 1 479 44 44 VAL CB C 31.82 0.10 1 480 44 44 VAL CG1 C 21.72 0.10 2 481 44 44 VAL CG2 C 22.46 0.10 2 482 44 44 VAL N N 129.60 0.10 1 483 45 45 ILE H H 8.88 0.02 1 484 45 45 ILE HA H 4.67 0.02 1 485 45 45 ILE HB H 1.96 0.02 1 486 45 45 ILE HG12 H 0.91 0.02 2 487 45 45 ILE HG13 H 0.88 0.02 2 488 45 45 ILE HG2 H 0.84 0.02 1 489 45 45 ILE HD1 H 0.32 0.02 1 490 45 45 ILE C C 175.36 0.10 1 491 45 45 ILE CA C 60.65 0.10 1 492 45 45 ILE CB C 39.28 0.10 1 493 45 45 ILE CG1 C 26.62 0.10 1 494 45 45 ILE CG2 C 18.69 0.10 1 495 45 45 ILE CD1 C 16.26 0.10 1 496 45 45 ILE N N 116.00 0.10 1 497 46 46 ASN H H 8.13 0.02 1 498 46 46 ASN HA H 5.20 0.02 1 499 46 46 ASN HB2 H 3.53 0.02 2 500 46 46 ASN HB3 H 1.94 0.02 2 501 46 46 ASN HD21 H 8.04 0.02 1 502 46 46 ASN HD22 H 7.36 0.02 1 503 46 46 ASN C C 173.70 0.10 1 504 46 46 ASN CA C 52.09 0.10 1 505 46 46 ASN CB C 40.11 0.10 1 506 46 46 ASN N N 117.84 0.10 1 507 46 46 ASN ND2 N 111.09 0.10 1 508 47 47 ARG H H 9.60 0.02 1 509 47 47 ARG HA H 5.07 0.02 1 510 47 47 ARG HB2 H 2.11 0.02 2 511 47 47 ARG HB3 H 1.90 0.02 2 512 47 47 ARG HG2 H 1.66 0.02 2 513 47 47 ARG HG3 H 1.53 0.02 2 514 47 47 ARG HD2 H 3.21 0.02 2 515 47 47 ARG HD3 H 3.21 0.02 2 516 47 47 ARG HE H 7.28 0.02 1 517 47 47 ARG C C 171.65 0.10 1 518 47 47 ARG CA C 52.79 0.10 1 519 47 47 ARG CB C 31.18 0.10 1 520 47 47 ARG CG C 26.21 0.10 1 521 47 47 ARG CD C 43.58 0.10 1 522 47 47 ARG N N 121.66 0.10 1 523 47 47 ARG NE N 85.25 0.10 1 524 48 48 PRO HA H 3.84 0.02 1 525 48 48 PRO HB2 H 2.10 0.02 2 526 48 48 PRO HB3 H 2.10 0.02 2 527 48 48 PRO HG2 H 2.14 0.02 2 528 48 48 PRO HG3 H 1.68 0.02 2 529 48 48 PRO HD2 H 3.81 0.02 2 530 48 48 PRO HD3 H 3.42 0.02 2 531 48 48 PRO C C 177.12 0.10 1 532 48 48 PRO CA C 63.69 0.10 1 533 48 48 PRO CB C 31.22 0.10 1 534 48 48 PRO CG C 27.89 0.10 1 535 48 48 PRO CD C 50.62 0.10 1 536 49 49 SER H H 9.09 0.02 1 537 49 49 SER HA H 4.34 0.02 1 538 49 49 SER HB2 H 4.00 0.02 2 539 49 49 SER HB3 H 3.67 0.02 2 540 49 49 SER C C 175.65 0.10 1 541 49 49 SER CA C 60.41 0.10 1 542 49 49 SER CB C 66.12 0.10 1 543 49 49 SER N N 118.61 0.10 1 544 50 50 GLY H H 8.79 0.02 1 545 50 50 GLY HA2 H 4.38 0.02 2 546 50 50 GLY HA3 H 3.69 0.02 2 547 50 50 GLY C C 173.89 0.10 1 548 50 50 GLY CA C 45.41 0.10 1 549 50 50 GLY N N 112.37 0.10 1 550 51 51 LEU H H 8.27 0.02 1 551 51 51 LEU HA H 4.88 0.02 1 552 51 51 LEU HB2 H 1.53 0.02 2 553 51 51 LEU HB3 H 1.39 0.02 2 554 51 51 LEU HG H 1.48 0.02 1 555 51 51 LEU HD1 H 0.75 0.02 1 556 51 51 LEU HD2 H 0.76 0.02 1 557 51 51 LEU C C 176.82 0.10 1 558 51 51 LEU CA C 54.08 0.10 1 559 51 51 LEU CB C 44.05 0.10 1 560 51 51 LEU CG C 27.22 0.10 1 561 51 51 LEU CD1 C 25.25 0.10 1 562 51 51 LEU CD2 C 23.59 0.10 1 563 51 51 LEU N N 121.63 0.10 1 564 52 52 ASN H H 8.65 0.02 1 565 52 52 ASN HA H 5.58 0.02 1 566 52 52 ASN HB2 H 3.08 0.02 2 567 52 52 ASN HB3 H 2.68 0.02 2 568 52 52 ASN HD21 H 7.34 0.02 1 569 52 52 ASN HD22 H 6.93 0.02 1 570 52 52 ASN C C 176.43 0.10 1 571 52 52 ASN CA C 51.04 0.10 1 572 52 52 ASN CB C 41.98 0.10 1 573 52 52 ASN N N 117.61 0.10 1 574 52 52 ASN ND2 N 114.91 0.10 1 575 53 53 LEU H H 8.34 0.02 1 576 53 53 LEU HA H 4.01 0.02 1 577 53 53 LEU HB2 H 2.08 0.02 2 578 53 53 LEU HB3 H 1.32 0.02 2 579 53 53 LEU HG H 2.12 0.02 1 580 53 53 LEU HD1 H 0.43 0.02 2 581 53 53 LEU HD2 H 0.92 0.02 2 582 53 53 LEU C C 177.31 0.10 1 583 53 53 LEU CA C 57.37 0.10 1 584 53 53 LEU CB C 41.36 0.10 1 585 53 53 LEU CG C 26.62 0.10 1 586 53 53 LEU CD1 C 21.72 0.10 2 587 53 53 LEU CD2 C 23.98 0.10 2 588 53 53 LEU N N 117.26 0.10 1 589 54 54 ALA H H 7.67 0.02 1 590 54 54 ALA HA H 3.74 0.02 1 591 54 54 ALA HB H 1.33 0.02 1 592 54 54 ALA C C 178.78 0.10 1 593 54 54 ALA CA C 55.73 0.10 1 594 54 54 ALA CB C 17.68 0.10 1 595 54 54 ALA N N 121.56 0.10 1 596 55 55 GLU H H 7.80 0.02 1 597 55 55 GLU HA H 4.04 0.02 1 598 55 55 GLU HB2 H 2.37 0.02 2 599 55 55 GLU HB3 H 1.99 0.02 2 600 55 55 GLU HG2 H 2.45 0.02 2 601 55 55 GLU HG3 H 2.25 0.02 2 602 55 55 GLU C C 179.85 0.10 1 603 55 55 GLU CA C 59.01 0.10 1 604 55 55 GLU CB C 30.17 0.10 1 605 55 55 GLU CG C 37.24 0.10 1 606 55 55 GLU N N 117.23 0.10 1 607 56 56 VAL H H 7.40 0.02 1 608 56 56 VAL HA H 3.70 0.02 1 609 56 56 VAL HB H 2.10 0.02 1 610 56 56 VAL HG1 H 0.83 0.02 1 611 56 56 VAL HG2 H 1.02 0.02 1 612 56 56 VAL C C 178.39 0.10 1 613 56 56 VAL CA C 66.16 0.10 1 614 56 56 VAL CB C 32.45 0.10 1 615 56 56 VAL CG1 C 20.46 0.10 1 616 56 56 VAL CG2 C 23.69 0.10 1 617 56 56 VAL N N 119.64 0.10 1 618 57 57 LEU H H 8.57 0.02 1 619 57 57 LEU HA H 3.85 0.02 1 620 57 57 LEU HB2 H 1.77 0.02 2 621 57 57 LEU HB3 H 1.39 0.02 2 622 57 57 LEU HG H 1.66 0.02 1 623 57 57 LEU HD1 H 0.61 0.02 1 624 57 57 LEU HD2 H 0.31 0.02 1 625 57 57 LEU C C 179.17 0.10 1 626 57 57 LEU CA C 58.30 0.10 1 627 57 57 LEU CB C 40.94 0.10 1 628 57 57 LEU CG C 26.83 0.10 1 629 57 57 LEU CD1 C 26.39 0.10 1 630 57 57 LEU CD2 C 22.42 0.10 1 631 57 57 LEU N N 119.86 0.10 1 632 58 58 GLU H H 8.09 0.02 1 633 58 58 GLU HA H 4.07 0.02 1 634 58 58 GLU HB2 H 2.12 0.02 2 635 58 58 GLU HB3 H 2.04 0.02 2 636 58 58 GLU HG2 H 2.48 0.02 2 637 58 58 GLU HG3 H 2.31 0.02 2 638 58 58 GLU C C 177.99 0.10 1 639 58 58 GLU CA C 58.89 0.10 1 640 58 58 GLU CB C 29.45 0.10 1 641 58 58 GLU CG C 36.88 0.10 1 642 58 58 GLU N N 118.25 0.10 1 643 59 59 GLN H H 7.20 0.02 1 644 59 59 GLN HA H 4.18 0.02 1 645 59 59 GLN HB2 H 2.23 0.02 2 646 59 59 GLN HB3 H 2.15 0.02 2 647 59 59 GLN HG2 H 2.61 0.02 2 648 59 59 GLN HG3 H 2.43 0.02 2 649 59 59 GLN HE21 H 7.55 0.02 1 650 59 59 GLN HE22 H 6.86 0.02 1 651 59 59 GLN C C 178.09 0.10 1 652 59 59 GLN CA C 58.55 0.10 1 653 59 59 GLN CB C 29.13 0.10 1 654 59 59 GLN CG C 33.84 0.10 1 655 59 59 GLN N N 111.80 0.10 1 656 60 60 LEU H H 7.61 0.02 1 657 60 60 LEU HA H 4.27 0.02 1 658 60 60 LEU HB2 H 1.90 0.02 2 659 60 60 LEU HB3 H 1.64 0.02 2 660 60 60 LEU HG H 1.89 0.02 1 661 60 60 LEU HD1 H 0.77 0.02 1 662 60 60 LEU HD2 H 0.86 0.02 1 663 60 60 LEU C C 177.90 0.10 1 664 60 60 LEU CA C 56.66 0.10 1 665 60 60 LEU CB C 43.01 0.10 1 666 60 60 LEU CG C 26.53 0.10 1 667 60 60 LEU CD1 C 25.35 0.10 1 668 60 60 LEU CD2 C 22.66 0.10 1 669 60 60 LEU N N 117.80 0.10 1 670 61 61 LYS H H 8.38 0.02 1 671 61 61 LYS HA H 4.70 0.02 1 672 61 61 LYS HB2 H 2.02 0.02 2 673 61 61 LYS HB3 H 1.70 0.02 2 674 61 61 LYS HG2 H 1.38 0.02 2 675 61 61 LYS HG3 H 1.38 0.02 2 676 61 61 LYS HD2 H 1.57 0.02 2 677 61 61 LYS HD3 H 1.57 0.02 2 678 61 61 LYS HE2 H 2.83 0.02 2 679 61 61 LYS HE3 H 2.76 0.02 2 680 61 61 LYS C C 172.43 0.10 1 681 61 61 LYS CA C 53.73 0.10 1 682 61 61 LYS CB C 33.69 0.10 1 683 61 61 LYS CG C 25.12 0.10 1 684 61 61 LYS CD C 29.30 0.10 1 685 61 61 LYS CE C 42.12 0.10 1 686 61 61 LYS N N 119.41 0.10 1 687 62 62 PRO HA H 4.69 0.02 1 688 62 62 PRO HB2 H 2.43 0.02 2 689 62 62 PRO HB3 H 1.99 0.02 2 690 62 62 PRO HG2 H 2.05 0.02 2 691 62 62 PRO HG3 H 1.99 0.02 2 692 62 62 PRO HD2 H 3.72 0.02 2 693 62 62 PRO HD3 H 3.51 0.02 2 694 62 62 PRO C C 177.31 0.10 1 695 62 62 PRO CA C 64.40 0.10 1 696 62 62 PRO CB C 32.24 0.10 1 697 62 62 PRO CG C 27.08 0.10 1 698 62 62 PRO CD C 50.26 0.10 1 699 63 63 ASP H H 8.39 0.02 1 700 63 63 ASP HA H 4.54 0.02 1 701 63 63 ASP HB2 H 2.81 0.02 2 702 63 63 ASP HB3 H 2.63 0.02 2 703 63 63 ASP C C 175.36 0.10 1 704 63 63 ASP CA C 53.62 0.10 1 705 63 63 ASP CB C 39.91 0.10 1 706 63 63 ASP N N 115.30 0.10 1 707 64 64 ALA H H 7.79 0.02 1 708 64 64 ALA HA H 4.38 0.02 1 709 64 64 ALA HB H 1.36 0.02 1 710 64 64 ALA C C 176.63 0.10 1 711 64 64 ALA CA C 51.86 0.10 1 712 64 64 ALA CB C 20.58 0.10 1 713 64 64 ALA N N 122.40 0.10 1 714 65 65 LEU H H 8.59 0.02 1 715 65 65 LEU HA H 4.57 0.02 1 716 65 65 LEU HB2 H 1.59 0.02 2 717 65 65 LEU HB3 H 1.55 0.02 2 718 65 65 LEU HG H 0.91 0.02 1 719 65 65 LEU HD1 H 0.93 0.02 1 720 65 65 LEU HD2 H 0.90 0.02 1 721 65 65 LEU C C 174.77 0.10 1 722 65 65 LEU CA C 52.56 0.10 1 723 65 65 LEU CB C 41.67 0.10 1 724 65 65 LEU CD1 C 24.94 0.10 1 725 65 65 LEU CD2 C 24.10 0.20 1 726 65 65 LEU N N 123.04 0.10 1 727 66 66 PRO HA H 4.05 0.02 1 728 66 66 PRO HD2 H 4.01 0.02 2 729 66 66 PRO HD3 H 3.68 0.02 2 730 66 66 PRO CA C 65.62 0.10 1 731 66 66 PRO CD C 50.63 0.10 1 732 67 67 PRO HA H 4.47 0.02 1 733 67 67 PRO HB2 H 2.51 0.02 2 734 67 67 PRO HB3 H 1.99 0.02 2 735 67 67 PRO HD2 H 4.05 0.02 2 736 67 67 PRO HD3 H 3.50 0.02 2 737 67 67 PRO C C 177.41 0.10 1 738 67 67 PRO CA C 62.87 0.10 1 739 67 67 PRO CB C 33.07 0.10 1 740 67 67 PRO CG C 28.25 0.10 1 741 67 67 PRO CD C 50.86 0.10 1 742 68 68 ALA H H 8.68 0.02 1 743 68 68 ALA HA H 4.14 0.02 1 744 68 68 ALA HB H 1.48 0.02 1 745 68 68 ALA C C 180.05 0.10 1 746 68 68 ALA CA C 55.26 0.10 1 747 68 68 ALA CB C 19.14 0.10 1 748 68 68 ALA N N 126.58 0.10 1 749 69 69 ARG H H 8.75 0.02 1 750 69 69 ARG HA H 4.32 0.02 1 751 69 69 ARG HB2 H 1.99 0.02 2 752 69 69 ARG HB3 H 1.67 0.02 2 753 69 69 ARG HG2 H 1.48 0.02 2 754 69 69 ARG HG3 H 1.73 0.02 2 755 69 69 ARG HD2 H 3.42 0.02 2 756 69 69 ARG HD3 H 3.18 0.02 2 757 69 69 ARG HE H 7.93 0.02 1 758 69 69 ARG C C 178.39 0.10 1 759 69 69 ARG CA C 58.07 0.10 1 760 69 69 ARG CB C 29.34 0.10 1 761 69 69 ARG CG C 26.39 0.10 1 762 69 69 ARG CD C 42.86 0.10 1 763 69 69 ARG N N 116.04 0.10 1 764 70 70 CYS H H 8.23 0.02 1 765 70 70 CYS HA H 4.12 0.02 1 766 70 70 CYS HB2 H 3.03 0.02 2 767 70 70 CYS HB3 H 2.83 0.02 2 768 70 70 CYS C C 175.55 0.10 1 769 70 70 CYS CA C 61.94 0.10 1 770 70 70 CYS CB C 26.85 0.10 1 771 70 70 CYS N N 116.61 0.10 1 772 71 71 GLN H H 7.92 0.02 1 773 71 71 GLN HA H 3.94 0.02 1 774 71 71 GLN HB2 H 1.90 0.02 2 775 71 71 GLN HB3 H 1.75 0.02 2 776 71 71 GLN HG2 H 2.26 0.02 2 777 71 71 GLN HG3 H 2.26 0.02 2 778 71 71 GLN HE21 H 7.51 0.02 1 779 71 71 GLN HE22 H 6.85 0.02 1 780 71 71 GLN C C 175.16 0.10 1 781 71 71 GLN CA C 57.01 0.10 1 782 71 71 GLN CB C 28.10 0.10 1 783 71 71 GLN CG C 33.61 0.10 1 784 71 71 GLN N N 117.96 0.10 1 785 71 71 GLN NE2 N 111.83 0.10 1 786 72 72 HIS H H 7.34 0.02 1 787 72 72 HIS HA H 4.91 0.02 1 788 72 72 HIS HB2 H 3.54 0.02 2 789 72 72 HIS HB3 H 3.03 0.02 2 790 72 72 HIS HD2 H 7.08 0.02 1 791 72 72 HIS HE1 H 8.14 0.02 1 792 72 72 HIS C C 173.89 0.10 1 793 72 72 HIS CA C 54.55 0.10 1 794 72 72 HIS CB C 29.75 0.10 1 795 72 72 HIS CD2 C 120.60 0.10 1 796 72 72 HIS CE1 C 137.88 0.10 1 797 72 72 HIS N N 113.59 0.10 1 798 73 73 ILE H H 6.94 0.02 1 799 73 73 ILE HA H 4.31 0.02 1 800 73 73 ILE HB H 1.68 0.02 1 801 73 73 ILE HG12 H 1.66 0.02 2 802 73 73 ILE HG13 H 1.07 0.02 2 803 73 73 ILE HG2 H 0.97 0.02 1 804 73 73 ILE HD1 H 0.75 0.02 1 805 73 73 ILE C C 174.68 0.10 1 806 73 73 ILE CA C 61.12 0.10 1 807 73 73 ILE CB C 39.28 0.10 1 808 73 73 ILE CG1 C 27.08 0.10 1 809 73 73 ILE CG2 C 17.76 0.10 1 810 73 73 ILE CD1 C 13.80 0.10 1 811 73 73 ILE N N 122.08 0.10 1 812 74 74 ASP H H 8.59 0.02 1 813 74 74 ASP HA H 4.56 0.02 1 814 74 74 ASP HB2 H 2.49 0.02 2 815 74 74 ASP HB3 H 2.28 0.02 2 816 74 74 ASP C C 173.89 0.10 1 817 74 74 ASP CA C 55.72 0.10 1 818 74 74 ASP CB C 42.60 0.10 1 819 74 74 ASP N N 127.35 0.10 1 820 75 75 ILE H H 7.50 0.02 1 821 75 75 ILE HA H 4.65 0.02 1 822 75 75 ILE HB H 1.81 0.02 1 823 75 75 ILE HG12 H 1.10 0.02 2 824 75 75 ILE HG13 H 0.83 0.02 2 825 75 75 ILE HG2 H 0.85 0.02 1 826 75 75 ILE HD1 H 0.64 0.02 1 827 75 75 ILE C C 177.12 0.10 1 828 75 75 ILE CA C 57.37 0.10 1 829 75 75 ILE CB C 36.38 0.10 1 830 75 75 ILE CG1 C 24.99 0.10 1 831 75 75 ILE CG2 C 17.33 0.10 1 832 75 75 ILE CD1 C 9.60 0.10 1 833 75 75 ILE N N 117.80 0.10 1 834 76 76 TYR H H 10.02 0.02 1 835 76 76 TYR HA H 4.30 0.02 1 836 76 76 TYR HB2 H 3.42 0.02 2 837 76 76 TYR HB3 H 2.88 0.02 2 838 76 76 TYR HD1 H 7.18 0.02 3 839 76 76 TYR HD2 H 7.18 0.02 3 840 76 76 TYR HE1 H 6.73 0.02 3 841 76 76 TYR HE2 H 6.73 0.02 3 842 76 76 TYR C C 174.09 0.10 1 843 76 76 TYR CA C 60.41 0.10 1 844 76 76 TYR CB C 37.53 0.10 1 845 76 76 TYR CD1 C 132.99 0.10 3 846 76 76 TYR CD2 C 132.99 0.10 3 847 76 76 TYR CE1 C 118.27 0.10 3 848 76 76 TYR CE2 C 118.27 0.10 3 849 76 76 TYR N N 131.65 0.10 1 850 77 77 ASN H H 8.68 0.02 1 851 77 77 ASN HA H 5.38 0.02 1 852 77 77 ASN HB2 H 3.01 0.02 2 853 77 77 ASN HB3 H 2.66 0.02 2 854 77 77 ASN HD21 H 7.40 0.02 1 855 77 77 ASN HD22 H 6.69 0.02 1 856 77 77 ASN C C 176.82 0.10 1 857 77 77 ASN CA C 52.21 0.10 1 858 77 77 ASN CB C 38.04 0.10 1 859 77 77 ASN N N 119.44 0.10 1 860 77 77 ASN ND2 N 109.32 0.10 1 861 78 78 GLY H H 8.65 0.02 1 862 78 78 GLY HA2 H 4.69 0.02 2 863 78 78 GLY HA3 H 4.31 0.02 2 864 78 78 GLY C C 173.70 0.10 1 865 78 78 GLY CA C 46.35 0.10 1 866 78 78 GLY N N 117.61 0.10 1 867 79 79 GLY H H 7.10 0.02 1 868 79 79 GLY HA2 H 4.11 0.02 2 869 79 79 GLY HA3 H 3.62 0.02 2 870 79 79 GLY C C 171.45 0.10 1 871 79 79 GLY CA C 43.65 0.10 1 872 79 79 GLY N N 103.18 0.10 1 873 80 80 PRO HA H 4.42 0.02 1 874 80 80 PRO HB2 H 2.04 0.02 2 875 80 80 PRO HB3 H 1.94 0.02 2 876 80 80 PRO HG2 H 1.84 0.02 2 877 80 80 PRO HG3 H 1.81 0.02 2 878 80 80 PRO HD2 H 3.47 0.02 2 879 80 80 PRO HD3 H 3.22 0.02 2 880 80 80 PRO C C 176.34 0.10 1 881 80 80 PRO CA C 63.58 0.10 1 882 80 80 PRO CB C 32.45 0.10 1 883 80 80 PRO CG C 26.48 0.10 1 884 80 80 PRO CD C 48.43 0.10 1 885 81 81 VAL H H 8.70 0.02 1 886 81 81 VAL HA H 4.29 0.02 1 887 81 81 VAL HB H 0.61 0.02 1 888 81 81 VAL HG1 H 0.67 0.02 1 889 81 81 VAL HG2 H 0.60 0.02 1 890 81 81 VAL C C 173.99 0.10 1 891 81 81 VAL CA C 62.29 0.10 1 892 81 81 VAL CB C 31.13 0.10 1 893 81 81 VAL CG1 C 23.49 0.10 1 894 81 81 VAL CG2 C 21.49 0.10 1 895 81 81 VAL N N 125.29 0.10 1 896 82 82 GLN H H 8.72 0.02 1 897 82 82 GLN HA H 4.86 0.02 1 898 82 82 GLN HB2 H 1.79 0.02 2 899 82 82 GLN HB3 H 1.52 0.02 2 900 82 82 GLN HG2 H 2.56 0.02 2 901 82 82 GLN HG3 H 2.53 0.02 2 902 82 82 GLN HE21 H 7.87 0.02 1 903 82 82 GLN HE22 H 6.86 0.02 1 904 82 82 GLN C C 176.73 0.10 1 905 82 82 GLN CA C 57.13 0.10 1 906 82 82 GLN CB C 27.27 0.10 1 907 82 82 GLN CG C 35.24 0.10 1 908 82 82 GLN N N 121.31 0.10 1 909 82 82 GLN NE2 N 112.52 0.10 1 910 83 83 THR H H 7.83 0.02 1 911 83 83 THR HA H 3.77 0.02 1 912 83 83 THR HB H 3.18 0.02 1 913 83 83 THR HG2 H 1.29 0.02 1 914 83 83 THR C C 173.21 0.10 1 915 83 83 THR CA C 64.05 0.10 1 916 83 83 THR CB C 68.91 0.10 1 917 83 83 THR CG2 C 22.42 0.10 1 918 83 83 THR N N 106.65 0.10 1 919 84 84 ASP H H 8.72 0.02 1 920 84 84 ASP HA H 4.64 0.02 1 921 84 84 ASP HB2 H 2.87 0.02 2 922 84 84 ASP HB3 H 2.61 0.02 2 923 84 84 ASP C C 175.65 0.10 1 924 84 84 ASP CA C 52.91 0.10 1 925 84 84 ASP CB C 40.02 0.10 1 926 84 84 ASP N N 116.39 0.10 1 927 85 85 ARG H H 8.16 0.02 1 928 85 85 ARG HA H 4.45 0.02 1 929 85 85 ARG HB2 H 1.84 0.02 2 930 85 85 ARG HB3 H 1.84 0.02 2 931 85 85 ARG HD2 H 3.02 0.02 2 932 85 85 ARG HD3 H 3.02 0.02 2 933 85 85 ARG HE H 7.21 0.02 1 934 85 85 ARG C C 173.70 0.10 1 935 85 85 ARG CA C 54.90 0.10 1 936 85 85 ARG CB C 32.65 0.10 1 937 85 85 ARG CD C 43.72 0.10 1 938 85 85 ARG N N 121.82 0.10 1 939 85 85 ARG NE N 85.64 0.10 1 940 86 86 GLY H H 7.97 0.02 1 941 86 86 GLY HA2 H 5.28 0.02 2 942 86 86 GLY HA3 H 5.25 0.02 2 943 86 86 GLY C C 173.02 0.10 1 944 86 86 GLY CA C 43.84 0.10 1 945 86 86 GLY N N 106.78 0.10 1 946 87 87 PHE H H 9.65 0.02 1 947 87 87 PHE HA H 4.45 0.02 1 948 87 87 PHE HB2 H 3.03 0.02 2 949 87 87 PHE HB3 H 3.03 0.02 2 950 87 87 PHE HD1 H 7.21 0.02 3 951 87 87 PHE HD2 H 7.21 0.02 3 952 87 87 PHE HE1 H 6.69 0.02 3 953 87 87 PHE HE2 H 6.69 0.02 3 954 87 87 PHE C C 174.68 0.10 1 955 87 87 PHE CA C 57.83 0.10 1 956 87 87 PHE CB C 42.18 0.10 1 957 87 87 PHE CD1 C 131.11 0.10 3 958 87 87 PHE CD2 C 131.11 0.10 3 959 87 87 PHE CE1 C 130.70 0.10 3 960 87 87 PHE CE2 C 130.70 0.10 3 961 87 87 PHE N N 123.07 0.10 1 962 88 88 VAL H H 8.64 0.02 1 963 88 88 VAL HA H 5.33 0.02 1 964 88 88 VAL HB H 2.28 0.02 1 965 88 88 VAL HG1 H 0.84 0.02 1 966 88 88 VAL HG2 H 0.87 0.02 1 967 88 88 VAL C C 175.75 0.10 1 968 88 88 VAL CA C 60.76 0.10 1 969 88 88 VAL CB C 33.48 0.10 1 970 88 88 VAL CG1 C 21.72 0.10 1 971 88 88 VAL CG2 C 22.45 0.10 1 972 88 88 VAL N N 121.21 0.10 1 973 89 89 LEU H H 9.20 0.02 1 974 89 89 LEU HA H 5.44 0.02 1 975 89 89 LEU HB2 H 1.68 0.02 2 976 89 89 LEU HB3 H 1.52 0.02 2 977 89 89 LEU HG H 0.74 0.02 1 978 89 89 LEU HD1 H 0.76 0.02 1 979 89 89 LEU HD2 H 0.64 0.02 1 980 89 89 LEU C C 176.43 0.10 1 981 89 89 LEU CA C 53.26 0.10 1 982 89 89 LEU CB C 45.71 0.10 1 983 89 89 LEU CG C 27.32 0.10 1 984 89 89 LEU CD1 C 25.50 0.10 1 985 89 89 LEU CD2 C 24.58 0.10 1 986 89 89 LEU N N 128.83 0.10 1 987 90 90 HIS H H 9.00 0.02 1 988 90 90 HIS HA H 4.58 0.02 1 989 90 90 HIS HB2 H 3.05 0.02 2 990 90 90 HIS HB3 H 2.81 0.02 2 991 90 90 HIS HD1 H 10.83 0.02 1 992 90 90 HIS HD2 H 7.43 0.02 1 993 90 90 HIS HE1 H 7.93 0.02 1 994 90 90 HIS C C 170.67 0.10 1 995 90 90 HIS CA C 54.08 0.10 1 996 90 90 HIS CB C 28.72 0.10 1 997 90 90 HIS CD2 C 114.63 0.10 1 998 90 90 HIS CE1 C 135.91 0.10 1 999 90 90 HIS N N 118.51 0.10 1 1000 91 91 PRO HA H 4.69 0.02 1 1001 91 91 PRO HB2 H 2.55 0.02 2 1002 91 91 PRO HB3 H 1.93 0.02 2 1003 91 91 PRO HG2 H 1.89 0.02 2 1004 91 91 PRO HG3 H 1.64 0.02 2 1005 91 91 PRO HD2 H 3.62 0.02 2 1006 91 91 PRO HD3 H 3.06 0.02 2 1007 91 91 PRO C C 177.41 0.10 1 1008 91 91 PRO CA C 63.53 0.10 1 1009 91 91 PRO CB C 31.93 0.10 1 1010 91 91 PRO CG C 28.48 0.10 1 1011 91 91 PRO CD C 51.56 0.10 1 1012 92 92 SER H H 8.36 0.02 1 1013 92 92 SER HA H 4.47 0.02 1 1014 92 92 SER HB2 H 3.76 0.02 2 1015 92 92 SER HB3 H 3.58 0.02 2 1016 92 92 SER C C 175.07 0.10 1 1017 92 92 SER CA C 58.54 0.10 1 1018 92 92 SER CB C 62.81 0.10 1 1019 92 92 SER N N 119.96 0.10 1 1020 93 93 GLY H H 9.85 0.02 1 1021 93 93 GLY HA2 H 4.49 0.02 2 1022 93 93 GLY HA3 H 3.52 0.02 2 1023 93 93 GLY C C 173.80 0.10 1 1024 93 93 GLY CA C 46.23 0.10 1 1025 93 93 GLY N N 115.78 0.10 1 1026 94 94 LEU H H 7.89 0.02 1 1027 94 94 LEU HA H 4.40 0.02 1 1028 94 94 LEU HB2 H 1.49 0.02 2 1029 94 94 LEU HB3 H 1.19 0.02 2 1030 94 94 LEU HD1 H 0.88 0.02 2 1031 94 94 LEU HD2 H 0.78 0.02 2 1032 94 94 LEU C C 175.65 0.10 1 1033 94 94 LEU CA C 54.55 0.10 1 1034 94 94 LEU CB C 44.26 0.10 1 1035 94 94 LEU CG C 24.99 0.10 1 1036 94 94 LEU CD1 C 21.72 0.10 2 1037 94 94 LEU CD2 C 22.89 0.10 2 1038 94 94 LEU N N 124.04 0.10 1 1039 95 95 SER H H 7.93 0.02 1 1040 95 95 SER HA H 4.63 0.02 1 1041 95 95 SER HB2 H 3.70 0.02 2 1042 95 95 SER HB3 H 3.54 0.02 2 1043 95 95 SER C C 172.33 0.10 1 1044 95 95 SER CA C 57.37 0.10 1 1045 95 95 SER CB C 65.18 0.10 1 1046 95 95 SER N N 115.71 0.10 1 1047 96 96 TYR H H 8.82 0.02 1 1048 96 96 TYR HA H 4.38 0.02 1 1049 96 96 TYR HB2 H 4.02 0.02 2 1050 96 96 TYR HB3 H 2.26 0.02 2 1051 96 96 TYR HD1 H 6.88 0.02 3 1052 96 96 TYR HD2 H 6.88 0.02 3 1053 96 96 TYR HE1 H 6.20 0.02 3 1054 96 96 TYR HE2 H 6.20 0.02 3 1055 96 96 TYR C C 174.87 0.10 1 1056 96 96 TYR CA C 58.42 0.10 1 1057 96 96 TYR CB C 39.18 0.10 1 1058 96 96 TYR CD1 C 132.65 0.10 3 1059 96 96 TYR CD2 C 132.65 0.10 3 1060 96 96 TYR CE1 C 118.54 0.10 3 1061 96 96 TYR CE2 C 118.54 0.10 3 1062 96 96 TYR N N 125.35 0.10 1 1063 97 97 GLN H H 10.22 0.02 1 1064 97 97 GLN HA H 3.98 0.02 1 1065 97 97 GLN HB2 H 2.17 0.02 2 1066 97 97 GLN HB3 H 2.06 0.02 2 1067 97 97 GLN HG2 H 2.61 0.02 2 1068 97 97 GLN HG3 H 2.43 0.02 2 1069 97 97 GLN HE21 H 7.50 0.02 1 1070 97 97 GLN HE22 H 6.67 0.02 1 1071 97 97 GLN C C 178.29 0.10 1 1072 97 97 GLN CA C 60.41 0.10 1 1073 97 97 GLN CB C 27.89 0.10 1 1074 97 97 GLN CG C 34.21 0.10 1 1075 97 97 GLN N N 124.07 0.10 1 1076 97 97 GLN NE2 N 111.13 0.10 1 1077 98 98 SER H H 8.52 0.02 1 1078 98 98 SER HA H 4.76 0.02 1 1079 98 98 SER HB2 H 3.89 0.02 2 1080 98 98 SER HB3 H 3.67 0.02 2 1081 98 98 SER C C 172.82 0.10 1 1082 98 98 SER CA C 56.78 0.10 1 1083 98 98 SER CB C 63.94 0.10 1 1084 98 98 SER N N 111.12 0.10 1 1085 99 99 THR H H 8.61 0.02 1 1086 99 99 THR HA H 5.04 0.02 1 1087 99 99 THR HB H 3.92 0.02 1 1088 99 99 THR HG2 H 1.30 0.02 1 1089 99 99 THR C C 172.72 0.10 1 1090 99 99 THR CA C 62.99 0.10 1 1091 99 99 THR CB C 72.23 0.10 1 1092 99 99 THR CG2 C 23.59 0.10 1 1093 99 99 THR N N 124.07 0.10 1 1094 100 100 LEU H H 9.47 0.02 1 1095 100 100 LEU HA H 4.67 0.02 1 1096 100 100 LEU HB2 H 1.90 0.02 2 1097 100 100 LEU HB3 H 1.57 0.02 2 1098 100 100 LEU HG H 1.48 0.02 1 1099 100 100 LEU HD1 H 0.97 0.02 1 1100 100 100 LEU HD2 H 0.87 0.02 1 1101 100 100 LEU C C 175.55 0.10 1 1102 100 100 LEU CA C 53.38 0.10 1 1103 100 100 LEU CB C 44.05 0.10 1 1104 100 100 LEU CG C 26.92 0.10 1 1105 100 100 LEU CD1 C 23.65 0.10 1 1106 100 100 LEU CD2 C 25.76 0.10 1 1107 100 100 LEU N N 131.46 0.10 1 1108 101 101 GLU H H 8.81 0.02 1 1109 101 101 GLU HA H 4.29 0.02 1 1110 101 101 GLU HB2 H 2.19 0.02 2 1111 101 101 GLU HB3 H 1.90 0.02 2 1112 101 101 GLU HG2 H 2.43 0.02 2 1113 101 101 GLU HG3 H 2.26 0.02 2 1114 101 101 GLU C C 176.92 0.10 1 1115 101 101 GLU CA C 57.01 0.10 1 1116 101 101 GLU CB C 29.13 0.10 1 1117 101 101 GLU CG C 35.24 0.10 1 1118 101 101 GLU N N 126.29 0.10 1 1119 102 102 LEU H H 8.45 0.02 1 1120 102 102 LEU HA H 4.67 0.02 1 1121 102 102 LEU HB2 H 1.73 0.02 2 1122 102 102 LEU HB3 H 1.48 0.02 2 1123 102 102 LEU HG H 1.67 0.02 1 1124 102 102 LEU HD1 H 0.69 0.02 2 1125 102 102 LEU HD2 H 0.84 0.02 2 1126 102 102 LEU C C 177.31 0.10 1 1127 102 102 LEU CA C 53.85 0.10 1 1128 102 102 LEU CB C 42.18 0.10 1 1129 102 102 LEU CG C 26.85 0.10 1 1130 102 102 LEU CD1 C 22.89 0.10 2 1131 102 102 LEU CD2 C 21.49 0.10 2 1132 102 102 LEU N N 123.78 0.10 1 1133 103 103 GLY H H 8.31 0.02 1 1134 103 103 GLY HA2 H 4.40 0.02 2 1135 103 103 GLY HA3 H 3.47 0.02 2 1136 103 103 GLY C C 174.09 0.10 1 1137 103 103 GLY CA C 46.11 0.10 1 1138 103 103 GLY N N 111.47 0.10 1 1139 104 104 GLU H H 8.83 0.02 1 1140 104 104 GLU HA H 4.23 0.02 1 1141 104 104 GLU HB2 H 2.03 0.02 2 1142 104 104 GLU HB3 H 1.86 0.02 2 1143 104 104 GLU HG2 H 2.26 0.02 2 1144 104 104 GLU HG3 H 2.23 0.02 2 1145 104 104 GLU C C 176.82 0.10 1 1146 104 104 GLU CA C 58.30 0.10 1 1147 104 104 GLU CB C 30.17 0.10 1 1148 104 104 GLU CG C 36.64 0.10 1 1149 104 104 GLU N N 126.90 0.10 1 1150 105 105 LEU H H 7.53 0.02 1 1151 105 105 LEU HA H 4.87 0.02 1 1152 105 105 LEU HB2 H 1.77 0.02 2 1153 105 105 LEU HB3 H 1.39 0.02 2 1154 105 105 LEU HG H 0.23 0.02 1 1155 105 105 LEU HD1 H 0.65 0.02 1 1156 105 105 LEU HD2 H 0.87 0.02 1 1157 105 105 LEU C C 172.92 0.10 1 1158 105 105 LEU CA C 52.68 0.10 1 1159 105 105 LEU CB C 45.09 0.10 1 1160 105 105 LEU CG C 25.69 0.10 1 1161 105 105 LEU CD1 C 26.17 0.10 1 1162 105 105 LEU CD2 C 23.59 0.10 1 1163 105 105 LEU N N 118.12 0.10 1 1164 106 106 ALA H H 8.91 0.02 1 1165 106 106 ALA HA H 4.73 0.02 1 1166 106 106 ALA HB H 0.95 0.02 1 1167 106 106 ALA C C 174.09 0.10 1 1168 106 106 ALA CA C 51.04 0.10 1 1169 106 106 ALA CB C 23.54 0.10 1 1170 106 106 ALA N N 121.40 0.10 1 1171 107 107 MET H H 8.91 0.02 1 1172 107 107 MET HA H 5.76 0.02 1 1173 107 107 MET HB2 H 2.30 0.02 2 1174 107 107 MET HB3 H 1.74 0.02 2 1175 107 107 MET HG2 H 2.31 0.02 2 1176 107 107 MET HG3 H 2.26 0.02 2 1177 107 107 MET HE H 2.05 0.02 1 1178 107 107 MET C C 176.34 0.10 1 1179 107 107 MET CA C 53.50 0.10 1 1180 107 107 MET CB C 37.42 0.10 1 1181 107 107 MET CG C 31.75 0.10 1 1182 107 107 MET CE C 17.17 0.10 1 1183 107 107 MET N N 117.93 0.10 1 1184 108 108 SER H H 10.11 0.02 1 1185 108 108 SER HA H 6.15 0.02 1 1186 108 108 SER HB2 H 5.04 0.02 2 1187 108 108 SER HB3 H 3.89 0.02 2 1188 108 108 SER C C 174.97 0.10 1 1189 108 108 SER CA C 59.12 0.10 1 1190 108 108 SER CB C 65.18 0.10 1 1191 108 108 SER N N 127.15 0.10 1 1192 109 109 THR H H 8.82 0.02 1 1193 109 109 THR HA H 4.78 0.02 1 1194 109 109 THR HB H 3.15 0.02 1 1195 109 109 THR HG2 H 1.25 0.02 1 1196 109 109 THR C C 173.99 0.10 1 1197 109 109 THR CA C 60.65 0.10 1 1198 109 109 THR CB C 69.54 0.10 1 1199 109 109 THR CG2 C 23.36 0.10 1 1200 109 109 THR N N 111.86 0.10 1 1201 110 110 SER H H 7.68 0.02 1 1202 110 110 SER HA H 4.69 0.02 1 1203 110 110 SER HB2 H 3.92 0.02 2 1204 110 110 SER HB3 H 3.75 0.02 2 1205 110 110 SER C C 175.46 0.10 1 1206 110 110 SER CA C 55.72 0.10 1 1207 110 110 SER CB C 63.32 0.10 1 1208 110 110 SER N N 114.30 0.10 1 1209 111 111 GLN H H 8.69 0.02 1 1210 111 111 GLN HA H 3.89 0.02 1 1211 111 111 GLN HB2 H 2.15 0.02 2 1212 111 111 GLN HB3 H 2.08 0.02 2 1213 111 111 GLN HG2 H 2.57 0.02 2 1214 111 111 GLN HG3 H 2.38 0.02 2 1215 111 111 GLN HE21 H 7.58 0.02 1 1216 111 111 GLN HE22 H 6.96 0.02 1 1217 111 111 GLN C C 176.24 0.10 1 1218 111 111 GLN CA C 58.89 0.10 1 1219 111 111 GLN CB C 28.92 0.10 1 1220 111 111 GLN CG C 34.54 0.10 1 1221 111 111 GLN N N 118.19 0.10 1 1222 111 111 GLN NE2 N 111.02 0.10 1 1223 112 112 ASP H H 8.48 0.02 1 1224 112 112 ASP HA H 4.32 0.02 1 1225 112 112 ASP HB2 H 3.13 0.02 2 1226 112 112 ASP HB3 H 2.79 0.02 2 1227 112 112 ASP C C 179.85 0.10 1 1228 112 112 ASP CA C 56.66 0.10 1 1229 112 112 ASP CB C 37.83 0.10 1 1230 112 112 ASP N N 120.25 0.10 1 1231 113 113 VAL H H 7.98 0.02 1 1232 113 113 VAL HA H 3.12 0.02 1 1233 113 113 VAL HB H 0.81 0.02 1 1234 113 113 VAL HG1 H 0.83 0.02 1 1235 113 113 VAL HG2 H 0.26 0.02 1 1236 113 113 VAL C C 175.16 0.10 1 1237 113 113 VAL CA C 64.28 0.10 1 1238 113 113 VAL CB C 30.58 0.10 1 1239 113 113 VAL CG1 C 19.16 0.10 1 1240 113 113 VAL CG2 C 22.42 0.10 1 1241 113 113 VAL N N 123.46 0.10 1 1242 114 114 LEU H H 7.07 0.02 1 1243 114 114 LEU HA H 3.80 0.02 1 1244 114 114 LEU HB2 H 1.88 0.02 2 1245 114 114 LEU HB3 H 0.97 0.02 2 1246 114 114 LEU HD1 H 0.56 0.02 2 1247 114 114 LEU HD2 H 0.60 0.02 2 1248 114 114 LEU C C 178.78 0.10 1 1249 114 114 LEU CA C 57.60 0.10 1 1250 114 114 LEU CB C 40.94 0.10 1 1251 114 114 LEU CG C 25.45 0.10 1 1252 114 114 LEU CD1 C 22.89 0.10 2 1253 114 114 LEU N N 121.50 0.10 1 1254 115 115 PHE H H 7.16 0.02 1 1255 115 115 PHE HA H 4.11 0.02 1 1256 115 115 PHE HB2 H 3.25 0.02 2 1257 115 115 PHE HB3 H 2.88 0.02 2 1258 115 115 PHE HD1 H 7.29 0.02 3 1259 115 115 PHE HD2 H 7.29 0.02 3 1260 115 115 PHE HE1 H 7.09 0.02 3 1261 115 115 PHE HE2 H 7.09 0.02 3 1262 115 115 PHE C C 178.48 0.10 1 1263 115 115 PHE CA C 61.12 0.10 1 1264 115 115 PHE CB C 38.25 0.10 1 1265 115 115 PHE CD1 C 131.91 0.10 3 1266 115 115 PHE CD2 C 131.91 0.10 3 1267 115 115 PHE CE1 C 132.42 0.10 3 1268 115 115 PHE CE2 C 132.42 0.10 3 1269 115 115 PHE N N 115.78 0.10 1 1270 116 116 ALA H H 8.04 0.02 1 1271 116 116 ALA HA H 4.16 0.02 1 1272 116 116 ALA HB H 1.41 0.02 1 1273 116 116 ALA C C 179.75 0.10 1 1274 116 116 ALA CA C 54.90 0.10 1 1275 116 116 ALA CB C 18.93 0.10 1 1276 116 116 ALA N N 124.13 0.10 1 1277 117 117 ILE H H 8.19 0.02 1 1278 117 117 ILE HA H 3.80 0.02 1 1279 117 117 ILE HB H 1.69 0.02 1 1280 117 117 ILE HG12 H 1.82 0.02 2 1281 117 117 ILE HG13 H 0.92 0.02 2 1282 117 117 ILE HG2 H 0.80 0.02 1 1283 117 117 ILE HD1 H 0.80 0.02 1 1284 117 117 ILE C C 180.14 0.10 1 1285 117 117 ILE CA C 65.22 0.10 1 1286 117 117 ILE CB C 38.25 0.10 1 1287 117 117 ILE CG1 C 30.58 0.10 1 1288 117 117 ILE CG2 C 18.93 0.10 1 1289 117 117 ILE CD1 C 17.29 0.10 1 1290 117 117 ILE N N 119.83 0.10 1 1291 118 118 ALA H H 8.00 0.02 1 1292 118 118 ALA HA H 3.85 0.02 1 1293 118 118 ALA HB H 1.42 0.02 1 1294 118 118 ALA C C 177.51 0.10 1 1295 118 118 ALA CA C 55.37 0.10 1 1296 118 118 ALA CB C 21.01 0.10 1 1297 118 118 ALA N N 122.17 0.10 1 1298 119 119 ALA H H 7.46 0.02 1 1299 119 119 ALA HA H 4.29 0.02 1 1300 119 119 ALA HB H 1.59 0.02 1 1301 119 119 ALA C C 178.09 0.10 1 1302 119 119 ALA CA C 52.33 0.10 1 1303 119 119 ALA CB C 20.38 0.10 1 1304 119 119 ALA N N 115.97 0.10 1 1305 120 120 GLY H H 7.92 0.02 1 1306 120 120 GLY HA2 H 4.12 0.02 2 1307 120 120 GLY HA3 H 3.87 0.02 2 1308 120 120 GLY C C 174.87 0.10 1 1309 120 120 GLY CA C 45.41 0.10 1 1310 120 120 GLY N N 106.81 0.10 1 1311 121 121 THR H H 8.18 0.02 1 1312 121 121 THR HA H 4.60 0.02 1 1313 121 121 THR HB H 3.27 0.02 1 1314 121 121 THR HG2 H 1.07 0.02 1 1315 121 121 THR C C 174.58 0.10 1 1316 121 121 THR CA C 60.30 0.10 1 1317 121 121 THR CB C 68.71 0.10 1 1318 121 121 THR CG2 C 21.26 0.10 1 1319 121 121 THR N N 109.51 0.10 1 1320 122 122 GLY H H 7.42 0.02 1 1321 122 122 GLY HA2 H 4.38 0.02 1 1322 122 122 GLY HA3 H 4.38 0.02 1 1323 122 122 GLY C C 170.09 0.10 1 1324 122 122 GLY CA C 43.77 0.10 1 1325 122 122 GLY N N 110.67 0.10 1 1326 123 123 PRO HA H 4.21 0.02 1 1327 123 123 PRO HB2 H 2.34 0.02 2 1328 123 123 PRO HB3 H 1.94 0.02 2 1329 123 123 PRO HG2 H 1.47 0.02 2 1330 123 123 PRO HG3 H 1.30 0.02 2 1331 123 123 PRO HD2 H 3.70 0.02 2 1332 123 123 PRO HD3 H 3.02 0.02 2 1333 123 123 PRO C C 177.02 0.10 1 1334 123 123 PRO CA C 62.40 0.10 1 1335 123 123 PRO CB C 32.45 0.10 1 1336 123 123 PRO CG C 26.85 0.10 1 1337 123 123 PRO CD C 48.76 0.10 1 1338 124 124 GLU H H 9.00 0.02 1 1339 124 124 GLU HA H 3.92 0.02 1 1340 124 124 GLU HB2 H 1.99 0.02 2 1341 124 124 GLU HB3 H 1.99 0.02 2 1342 124 124 GLU HG2 H 2.33 0.02 2 1343 124 124 GLU HG3 H 2.22 0.02 2 1344 124 124 GLU C C 176.14 0.10 1 1345 124 124 GLU CA C 58.54 0.10 1 1346 124 124 GLU CB C 30.17 0.10 1 1347 124 124 GLU CG C 36.41 0.10 1 1348 124 124 GLU N N 124.46 0.10 1 1349 125 125 LYS H H 7.14 0.02 1 1350 125 125 LYS HA H 4.50 0.02 1 1351 125 125 LYS HB2 H 1.00 0.02 2 1352 125 125 LYS HB3 H 0.78 0.02 2 1353 125 125 LYS HG2 H 1.39 0.02 2 1354 125 125 LYS HG3 H 1.25 0.02 2 1355 125 125 LYS HD2 H 1.44 0.02 2 1356 125 125 LYS HD3 H 1.59 0.02 2 1357 125 125 LYS HE2 H 2.93 0.02 2 1358 125 125 LYS HE3 H 2.89 0.02 2 1359 125 125 LYS C C 173.50 0.10 1 1360 125 125 LYS CA C 53.97 0.10 1 1361 125 125 LYS CB C 35.55 0.10 1 1362 125 125 LYS CG C 23.82 0.10 1 1363 125 125 LYS CD C 29.42 0.10 1 1364 125 125 LYS CE C 42.24 0.10 1 1365 125 125 LYS N N 115.62 0.10 1 1366 126 126 SER H H 8.05 0.02 1 1367 126 126 SER HA H 4.98 0.02 1 1368 126 126 SER HB2 H 3.87 0.02 2 1369 126 126 SER HB3 H 3.47 0.02 2 1370 126 126 SER C C 173.11 0.10 1 1371 126 126 SER CA C 58.42 0.10 1 1372 126 126 SER CB C 65.18 0.10 1 1373 126 126 SER N N 108.03 0.10 1 1374 127 127 LEU H H 8.82 0.02 1 1375 127 127 LEU HA H 4.73 0.02 1 1376 127 127 LEU HB2 H 1.68 0.02 2 1377 127 127 LEU HB3 H 1.59 0.02 2 1378 127 127 LEU HG H 1.30 0.02 1 1379 127 127 LEU HD1 H 0.53 0.02 2 1380 127 127 LEU HD2 H 0.63 0.02 2 1381 127 127 LEU C C 174.68 0.10 1 1382 127 127 LEU CA C 56.08 0.10 1 1383 127 127 LEU CB C 45.09 0.10 1 1384 127 127 LEU CG C 26.62 0.10 1 1385 127 127 LEU CD1 C 18.46 0.10 2 1386 127 127 LEU CD2 C 25.22 0.10 2 1387 127 127 LEU N N 122.72 0.10 1 1388 128 128 ILE H H 9.66 0.02 1 1389 128 128 ILE HA H 4.60 0.02 1 1390 128 128 ILE HB H 2.14 0.02 1 1391 128 128 ILE HG12 H 1.81 0.02 2 1392 128 128 ILE HG2 H 0.89 0.02 1 1393 128 128 ILE HD1 H 0.93 0.02 1 1394 128 128 ILE C C 173.89 0.10 1 1395 128 128 ILE CA C 61.59 0.10 1 1396 128 128 ILE CB C 38.87 0.10 1 1397 128 128 ILE CG1 C 35.24 0.10 1 1398 128 128 ILE CG2 C 17.76 0.10 1 1399 128 128 ILE CD1 C 15.90 0.10 1 1400 128 128 ILE N N 127.83 0.10 1 1401 129 129 SER H H 9.29 0.02 1 1402 129 129 SER HA H 5.41 0.02 1 1403 129 129 SER HB2 H 4.12 0.02 2 1404 129 129 SER HB3 H 3.72 0.02 2 1405 129 129 SER C C 174.77 0.10 1 1406 129 129 SER CA C 56.08 0.10 1 1407 129 129 SER CB C 66.84 0.10 1 1408 129 129 SER N N 123.30 0.10 1 1409 130 130 LEU H H 9.00 0.02 1 1410 130 130 LEU HA H 5.49 0.02 1 1411 130 130 LEU HB2 H 1.84 0.02 2 1412 130 130 LEU HB3 H 1.81 0.02 2 1413 130 130 LEU HG H 1.39 0.02 1 1414 130 130 LEU HD1 H 1.19 0.02 2 1415 130 130 LEU HD2 H 0.78 0.02 2 1416 130 130 LEU C C 179.56 0.10 1 1417 130 130 LEU CA C 54.20 0.10 1 1418 130 130 LEU CB C 41.77 0.10 1 1419 130 130 LEU CG C 25.67 0.10 1 1420 130 130 LEU CD1 C 24.05 0.10 2 1421 130 130 LEU CD2 C 18.93 0.10 2 1422 130 130 LEU N N 125.87 0.10 1 1423 131 131 GLY H H 8.57 0.02 1 1424 131 131 GLY HA2 H 4.27 0.02 2 1425 131 131 GLY HA3 H 4.18 0.02 2 1426 131 131 GLY C C 169.99 0.10 1 1427 131 131 GLY CA C 44.83 0.10 1 1428 131 131 GLY N N 112.95 0.10 1 1429 132 132 TYR H H 8.13 0.02 1 1430 132 132 TYR HA H 4.69 0.02 1 1431 132 132 TYR HB2 H 2.97 0.02 2 1432 132 132 TYR HB3 H 1.83 0.02 2 1433 132 132 TYR HD1 H 6.65 0.02 3 1434 132 132 TYR HD2 H 6.65 0.02 3 1435 132 132 TYR HE1 H 6.61 0.02 3 1436 132 132 TYR HE2 H 6.61 0.02 3 1437 132 132 TYR C C 171.75 0.10 1 1438 132 132 TYR CA C 55.61 0.10 1 1439 132 132 TYR CB C 40.53 0.10 1 1440 132 132 TYR CD1 C 135.12 0.10 3 1441 132 132 TYR CD2 C 135.12 0.10 3 1442 132 132 TYR CE1 C 116.82 0.10 3 1443 132 132 TYR CE2 C 116.82 0.10 3 1444 132 132 TYR N N 110.99 0.10 1 1445 133 133 ALA H H 9.13 0.02 1 1446 133 133 ALA HA H 4.69 0.02 1 1447 133 133 ALA HB H 1.24 0.02 1 1448 133 133 ALA C C 175.07 0.10 1 1449 133 133 ALA CA C 50.33 0.10 1 1450 133 133 ALA CB C 21.26 0.10 1 1451 133 133 ALA N N 121.85 0.10 1 1452 134 134 GLY H H 8.04 0.02 1 1453 134 134 GLY HA2 H 5.28 0.02 2 1454 134 134 GLY HA3 H 3.70 0.02 2 1455 134 134 GLY C C 172.53 0.10 1 1456 134 134 GLY CA C 44.12 0.10 1 1457 134 134 GLY N N 109.29 0.10 1 1458 135 135 TRP H H 8.84 0.02 1 1459 135 135 TRP HA H 4.74 0.02 1 1460 135 135 TRP HB2 H 3.13 0.02 2 1461 135 135 TRP HB3 H 3.13 0.02 2 1462 135 135 TRP HD1 H 6.57 0.02 1 1463 135 135 TRP HE1 H 11.12 0.02 1 1464 135 135 TRP HE3 H 7.17 0.02 1 1465 135 135 TRP HZ2 H 7.13 0.02 1 1466 135 135 TRP HZ3 H 6.25 0.02 1 1467 135 135 TRP HH2 H 6.51 0.02 1 1468 135 135 TRP C C 176.82 0.10 1 1469 135 135 TRP CA C 58.42 0.10 1 1470 135 135 TRP CB C 34.93 0.10 1 1471 135 135 TRP CD1 C 126.52 0.10 1 1472 135 135 TRP CE3 C 124.70 0.10 1 1473 135 135 TRP CZ2 C 114.54 0.10 1 1474 135 135 TRP CZ3 C 120.62 0.10 1 1475 135 135 TRP CH2 C 114.73 0.10 1 1476 135 135 TRP N N 123.07 0.10 1 1477 136 136 GLU H H 8.57 0.02 1 1478 136 136 GLU HA H 4.63 0.02 1 1479 136 136 GLU HB2 H 2.35 0.02 2 1480 136 136 GLU HB3 H 1.99 0.02 2 1481 136 136 GLU HG2 H 2.48 0.02 2 1482 136 136 GLU HG3 H 2.46 0.02 2 1483 136 136 GLU C C 177.02 0.10 1 1484 136 136 GLU CA C 55.14 0.10 1 1485 136 136 GLU CB C 31.00 0.10 1 1486 136 136 GLU CG C 36.64 0.10 1 1487 136 136 GLU N N 121.50 0.10 1 1488 137 137 ALA H H 8.96 0.02 1 1489 137 137 ALA HA H 3.80 0.02 1 1490 137 137 ALA HB H 1.48 0.02 1 1491 137 137 ALA C C 178.97 0.10 1 1492 137 137 ALA CA C 54.90 0.10 1 1493 137 137 ALA CB C 19.35 0.10 1 1494 137 137 ALA N N 127.19 0.10 1 1495 138 138 GLY H H 8.84 0.02 1 1496 138 138 GLY HA2 H 4.24 0.02 2 1497 138 138 GLY HA3 H 3.96 0.02 2 1498 138 138 GLY C C 175.07 0.10 1 1499 138 138 GLY CA C 46.23 0.10 1 1500 138 138 GLY N N 113.30 0.10 1 1501 139 139 GLN H H 8.27 0.02 1 1502 139 139 GLN HA H 4.25 0.02 1 1503 139 139 GLN HB2 H 2.40 0.02 2 1504 139 139 GLN HB3 H 2.26 0.02 2 1505 139 139 GLN HG2 H 2.76 0.02 2 1506 139 139 GLN HG3 H 2.56 0.02 2 1507 139 139 GLN HE21 H 7.96 0.02 1 1508 139 139 GLN HE22 H 6.91 0.02 1 1509 139 139 GLN C C 178.09 0.10 1 1510 139 139 GLN CA C 59.01 0.10 1 1511 139 139 GLN CB C 29.96 0.10 1 1512 139 139 GLN CG C 33.15 0.10 1 1513 139 139 GLN N N 123.52 0.10 1 1514 139 139 GLN NE2 N 113.47 0.10 1 1515 140 140 LEU H H 9.59 0.02 1 1516 140 140 LEU HA H 3.80 0.02 1 1517 140 140 LEU HB2 H 1.01 0.02 2 1518 140 140 LEU HB3 H 0.11 0.02 2 1519 140 140 LEU HG H 0.56 0.02 1 1520 140 140 LEU HD1 H -0.41 0.02 1 1521 140 140 LEU HD2 H -0.90 0.02 1 1522 140 140 LEU C C 178.78 0.10 1 1523 140 140 LEU CA C 57.95 0.10 1 1524 140 140 LEU CB C 39.70 0.10 1 1525 140 140 LEU CG C 26.18 0.10 1 1526 140 140 LEU CD1 C 21.96 0.10 1 1527 140 140 LEU CD2 C 24.97 0.10 1 1528 140 140 LEU N N 123.52 0.10 1 1529 141 141 GLU H H 9.72 0.02 1 1530 141 141 GLU HA H 3.78 0.02 1 1531 141 141 GLU HB2 H 2.08 0.02 2 1532 141 141 GLU HB3 H 1.90 0.02 2 1533 141 141 GLU HG2 H 2.66 0.02 2 1534 141 141 GLU HG3 H 2.14 0.02 2 1535 141 141 GLU C C 179.56 0.10 1 1536 141 141 GLU CA C 61.82 0.10 1 1537 141 141 GLU CB C 27.89 0.10 1 1538 141 141 GLU CG C 38.27 0.10 1 1539 141 141 GLU N N 118.12 0.10 1 1540 142 142 ALA H H 7.57 0.02 1 1541 142 142 ALA HA H 4.18 0.02 1 1542 142 142 ALA HB H 1.63 0.02 1 1543 142 142 ALA C C 180.63 0.10 1 1544 142 142 ALA CA C 55.26 0.10 1 1545 142 142 ALA CB C 18.73 0.10 1 1546 142 142 ALA N N 122.78 0.10 1 1547 143 143 GLU H H 8.08 0.02 1 1548 143 143 GLU HA H 4.21 0.02 1 1549 143 143 GLU HB2 H 2.63 0.02 2 1550 143 143 GLU HB3 H 2.18 0.02 2 1551 143 143 GLU HG2 H 2.41 0.02 2 1552 143 143 GLU HG3 H 2.31 0.02 2 1553 143 143 GLU C C 180.44 0.10 1 1554 143 143 GLU CA C 59.36 0.10 1 1555 143 143 GLU CB C 29.75 0.10 1 1556 143 143 GLU CG C 36.18 0.10 1 1557 143 143 GLU N N 120.70 0.10 1 1558 144 144 LEU H H 9.11 0.02 1 1559 144 144 LEU HA H 4.31 0.02 1 1560 144 144 LEU HB2 H 1.94 0.02 2 1561 144 144 LEU HB3 H 1.48 0.02 2 1562 144 144 LEU HG H 1.66 0.02 1 1563 144 144 LEU HD1 H 0.57 0.02 1 1564 144 144 LEU HD2 H 0.75 0.02 1 1565 144 144 LEU C C 181.90 0.10 1 1566 144 144 LEU CA C 58.19 0.10 1 1567 144 144 LEU CB C 41.36 0.10 1 1568 144 144 LEU CG C 27.03 0.10 1 1569 144 144 LEU CD1 C 26.18 0.10 1 1570 144 144 LEU CD2 C 23.36 0.10 1 1571 144 144 LEU N N 120.57 0.10 1 1572 145 145 SER H H 8.14 0.02 1 1573 145 145 SER HA H 4.32 0.02 1 1574 145 145 SER HB2 H 4.05 0.02 2 1575 145 145 SER HB3 H 4.04 0.02 2 1576 145 145 SER C C 174.58 0.10 1 1577 145 145 SER CA C 61.47 0.10 1 1578 145 145 SER CB C 62.91 0.10 1 1579 145 145 SER N N 117.26 0.10 1 1580 146 146 ASP H H 7.43 0.02 1 1581 146 146 ASP HA H 4.89 0.02 1 1582 146 146 ASP HB2 H 2.88 0.02 2 1583 146 146 ASP HB3 H 2.63 0.02 2 1584 146 146 ASP C C 175.55 0.10 1 1585 146 146 ASP CA C 53.97 0.10 1 1586 146 146 ASP CB C 41.36 0.10 1 1587 146 146 ASP N N 120.08 0.10 1 1588 147 147 ASN H H 8.14 0.02 1 1589 147 147 ASN HA H 4.58 0.02 1 1590 147 147 ASN HB2 H 3.08 0.02 2 1591 147 147 ASN HB3 H 2.83 0.02 2 1592 147 147 ASN HD21 H 7.52 0.02 1 1593 147 147 ASN HD22 H 6.78 0.02 1 1594 147 147 ASN C C 174.38 0.10 1 1595 147 147 ASN CA C 54.55 0.10 1 1596 147 147 ASN CB C 37.42 0.10 1 1597 147 147 ASN N N 114.69 0.10 1 1598 147 147 ASN ND2 N 112.00 0.10 1 1599 148 148 ALA H H 7.89 0.02 1 1600 148 148 ALA HA H 3.74 0.02 1 1601 148 148 ALA HB H 0.88 0.02 1 1602 148 148 ALA C C 175.46 0.10 1 1603 148 148 ALA CA C 54.20 0.10 1 1604 148 148 ALA CB C 20.38 0.10 1 1605 148 148 ALA N N 116.65 0.10 1 1606 149 149 TRP H H 7.03 0.02 1 1607 149 149 TRP HA H 5.40 0.02 1 1608 149 149 TRP HB2 H 3.05 0.02 2 1609 149 149 TRP HB3 H 2.56 0.02 2 1610 149 149 TRP HD1 H 6.44 0.02 1 1611 149 149 TRP HE1 H 11.28 0.02 1 1612 149 149 TRP HE3 H 6.46 0.02 1 1613 149 149 TRP HZ2 H 7.13 0.02 1 1614 149 149 TRP HZ3 H 6.51 0.02 1 1615 149 149 TRP HH2 H 6.31 0.02 1 1616 149 149 TRP C C 176.73 0.10 1 1617 149 149 TRP CA C 53.85 0.10 1 1618 149 149 TRP CB C 34.63 0.10 1 1619 149 149 TRP CD1 C 126.55 0.10 1 1620 149 149 TRP CE3 C 124.15 0.10 1 1621 149 149 TRP CZ2 C 114.71 0.10 1 1622 149 149 TRP CZ3 C 114.55 0.10 1 1623 149 149 TRP CH2 C 123.04 0.10 1 1624 149 149 TRP N N 109.61 0.10 1 1625 150 150 LEU H H 9.16 0.02 1 1626 150 150 LEU HA H 4.67 0.02 1 1627 150 150 LEU HB2 H 1.68 0.02 2 1628 150 150 LEU HB3 H 1.64 0.02 2 1629 150 150 LEU HG H 1.48 0.02 1 1630 150 150 LEU HD1 H 1.03 0.02 2 1631 150 150 LEU HD2 H 0.91 0.02 2 1632 150 150 LEU C C 177.31 0.10 1 1633 150 150 LEU CA C 53.85 0.10 1 1634 150 150 LEU CB C 44.67 0.10 1 1635 150 150 LEU CG C 26.39 0.10 1 1636 150 150 LEU CD1 C 23.28 0.10 2 1637 150 150 LEU CD2 C 21.49 0.10 2 1638 150 150 LEU N N 121.27 0.10 1 1639 151 151 THR H H 8.31 0.02 1 1640 151 151 THR HA H 5.72 0.02 1 1641 151 151 THR HB H 3.96 0.02 1 1642 151 151 THR HG2 H 0.95 0.02 1 1643 151 151 THR C C 173.41 0.10 1 1644 151 151 THR CA C 59.59 0.10 1 1645 151 151 THR CB C 71.82 0.10 1 1646 151 151 THR CG2 C 21.49 0.10 1 1647 151 151 THR N N 111.47 0.10 1 1648 152 152 CYS H H 8.48 0.02 1 1649 152 152 CYS HA H 4.64 0.02 1 1650 152 152 CYS HB2 H 3.19 0.02 2 1651 152 152 CYS HB3 H 3.13 0.02 2 1652 152 152 CYS C C 170.38 0.10 1 1653 152 152 CYS CA C 55.26 0.10 1 1654 152 152 CYS CB C 29.96 0.10 1 1655 152 152 CYS N N 116.29 0.10 1 1656 153 153 PRO HA H 3.48 0.02 1 1657 153 153 PRO HB2 H 2.17 0.02 2 1658 153 153 PRO HG2 H 1.64 0.02 2 1659 153 153 PRO HD2 H 4.12 0.02 2 1660 153 153 PRO HD3 H 4.56 0.02 2 1661 153 153 PRO C C 175.46 0.10 1 1662 153 153 PRO CA C 63.46 0.10 1 1663 153 153 PRO CB C 32.03 0.10 1 1664 153 153 PRO CG C 28.02 0.10 1 1665 154 154 ALA H H 7.25 0.02 1 1666 154 154 ALA HA H 2.23 0.02 1 1667 154 154 ALA HB H 0.09 0.02 1 1668 154 154 ALA C C 174.97 0.10 1 1669 154 154 ALA CA C 51.98 0.10 1 1670 154 154 ALA CB C 19.76 0.10 1 1671 154 154 ALA N N 122.14 0.10 1 1672 155 155 ASP H H 5.66 0.02 1 1673 155 155 ASP HA H 5.09 0.02 1 1674 155 155 ASP HB2 H 2.70 0.02 2 1675 155 155 ASP HB3 H 2.59 0.02 2 1676 155 155 ASP CA C 50.57 0.10 1 1677 155 155 ASP CB C 44.62 0.10 1 1678 155 155 ASP N N 118.12 0.10 1 1679 156 156 PRO HA H 4.01 0.02 1 1680 156 156 PRO HB2 H 2.34 0.02 2 1681 156 156 PRO HB3 H 2.28 0.02 2 1682 156 156 PRO HG2 H 1.96 0.02 2 1683 156 156 PRO HG3 H 1.93 0.02 2 1684 156 156 PRO HD2 H 4.05 0.02 2 1685 156 156 PRO HD3 H 3.78 0.02 2 1686 156 156 PRO C C 176.53 0.10 1 1687 156 156 PRO CA C 64.63 0.10 1 1688 156 156 PRO CB C 32.24 0.10 1 1689 156 156 PRO CG C 27.55 0.10 1 1690 156 156 PRO CD C 51.79 0.10 1 1691 157 157 ALA H H 8.43 0.02 1 1692 157 157 ALA HA H 4.38 0.02 1 1693 157 157 ALA HB H 1.48 0.02 1 1694 157 157 ALA C C 180.53 0.10 1 1695 157 157 ALA CA C 55.37 0.10 1 1696 157 157 ALA CB C 19.14 0.10 1 1697 157 157 ALA N N 121.37 0.10 1 1698 158 158 ILE H H 7.25 0.02 1 1699 158 158 ILE HA H 3.52 0.02 1 1700 158 158 ILE HB H 1.95 0.02 1 1701 158 158 ILE HG12 H 1.83 0.02 2 1702 158 158 ILE HG13 H 0.95 0.02 2 1703 158 158 ILE HG2 H 0.60 0.02 1 1704 158 158 ILE HD1 H 0.86 0.02 1 1705 158 158 ILE C C 174.09 0.10 1 1706 158 158 ILE CA C 64.63 0.10 1 1707 158 158 ILE CB C 38.04 0.10 1 1708 158 158 ILE CG1 C 29.65 0.10 1 1709 158 158 ILE CG2 C 17.76 0.10 1 1710 158 158 ILE CD1 C 13.33 0.10 1 1711 158 158 ILE N N 116.68 0.10 1 1712 159 159 LEU H H 6.57 0.02 1 1713 159 159 LEU HA H 3.59 0.02 1 1714 159 159 LEU HB2 H 0.90 0.02 2 1715 159 159 LEU HB3 H 0.28 0.02 2 1716 159 159 LEU HG H 0.53 0.02 1 1717 159 159 LEU HD1 H 0.21 0.02 1 1718 159 159 LEU HD2 H 0.29 0.02 1 1719 159 159 LEU C C 176.43 0.10 1 1720 159 159 LEU CA C 57.25 0.10 1 1721 159 159 LEU CB C 43.43 0.10 1 1722 159 159 LEU CG C 25.92 0.10 1 1723 159 159 LEU CD1 C 25.76 0.10 1 1724 159 159 LEU CD2 C 25.97 0.10 1 1725 159 159 LEU N N 113.05 0.10 1 1726 160 160 PHE H H 7.56 0.02 1 1727 160 160 PHE HA H 5.13 0.02 1 1728 160 160 PHE HB2 H 3.28 0.02 2 1729 160 160 PHE HB3 H 2.87 0.02 2 1730 160 160 PHE HD1 H 7.02 0.02 3 1731 160 160 PHE HD2 H 7.02 0.02 3 1732 160 160 PHE HE1 H 6.61 0.02 3 1733 160 160 PHE HE2 H 6.61 0.02 3 1734 160 160 PHE C C 177.41 0.10 1 1735 160 160 PHE CA C 56.78 0.10 1 1736 160 160 PHE CB C 42.39 0.10 1 1737 160 160 PHE CD1 C 130.32 0.10 3 1738 160 160 PHE CD2 C 130.32 0.10 3 1739 160 160 PHE CE1 C 127.75 0.10 3 1740 160 160 PHE CE2 C 127.75 0.10 3 1741 160 160 PHE N N 107.81 0.10 1 1742 161 161 ASP H H 7.95 0.02 1 1743 161 161 ASP HA H 4.93 0.02 1 1744 161 161 ASP HB2 H 2.99 0.02 2 1745 161 161 ASP HB3 H 2.83 0.02 2 1746 161 161 ASP C C 176.63 0.10 1 1747 161 161 ASP CA C 56.08 0.10 1 1748 161 161 ASP CB C 42.39 0.10 1 1749 161 161 ASP N N 117.64 0.10 1 1750 162 162 LEU H H 7.33 0.02 1 1751 162 162 LEU HA H 4.26 0.02 1 1752 162 162 LEU HB2 H 1.56 0.02 2 1753 162 162 LEU HB3 H 1.91 0.02 2 1754 162 162 LEU HG H 1.32 0.02 1 1755 162 162 LEU HD1 H 0.93 0.02 2 1756 162 162 LEU HD2 H 0.86 0.02 2 1757 162 162 LEU C C 174.68 0.10 1 1758 162 162 LEU CA C 52.68 0.10 1 1759 162 162 LEU CB C 44.33 0.10 1 1760 162 162 LEU CD1 C 24.97 0.10 2 1761 162 162 LEU CD2 C 23.52 0.10 2 1762 162 162 LEU N N 120.60 0.10 1 1763 163 163 PRO HA H 4.26 0.02 1 1764 163 163 PRO HG2 H 2.42 0.02 2 1765 163 163 PRO HG3 H 2.32 0.02 2 1766 163 163 PRO HD2 H 3.86 0.02 2 1767 163 163 PRO HD3 H 3.59 0.02 2 1768 163 163 PRO CA C 65.13 0.10 1 1769 163 163 PRO CG C 27.48 0.10 1 1770 163 163 PRO CD C 50.53 0.10 1 1771 164 164 PRO HA H 4.05 0.02 1 1772 164 164 PRO HB2 H 2.56 0.02 2 1773 164 164 PRO HB3 H 2.04 0.02 2 1774 164 164 PRO HG2 H 2.29 0.02 2 1775 164 164 PRO HG3 H 2.08 0.02 2 1776 164 164 PRO HD2 H 3.95 0.02 2 1777 164 164 PRO HD3 H 3.72 0.02 2 1778 164 164 PRO C C 178.78 0.10 1 1779 164 164 PRO CA C 65.69 0.10 1 1780 164 164 PRO CB C 31.20 0.10 1 1781 164 164 PRO CG C 27.55 0.10 1 1782 164 164 PRO CD C 50.63 0.10 1 1783 165 165 GLU H H 10.12 0.02 1 1784 165 165 GLU HA H 4.43 0.02 1 1785 165 165 GLU HB2 H 2.21 0.02 2 1786 165 165 GLU HG2 H 2.51 0.02 2 1787 165 165 GLU HG3 H 2.31 0.02 2 1788 165 165 GLU C C 177.21 0.10 1 1789 165 165 GLU CA C 58.89 0.10 1 1790 165 165 GLU CB C 28.30 0.10 1 1791 165 165 GLU CG C 35.94 0.10 1 1792 165 165 GLU N N 117.00 0.10 1 1793 166 166 GLU H H 7.95 0.02 1 1794 166 166 GLU HA H 4.60 0.02 1 1795 166 166 GLU HB2 H 2.40 0.02 2 1796 166 166 GLU HB3 H 1.86 0.02 2 1797 166 166 GLU HG2 H 2.37 0.02 2 1798 166 166 GLU HG3 H 2.31 0.02 2 1799 166 166 GLU C C 177.12 0.10 1 1800 166 166 GLU CA C 56.08 0.10 1 1801 166 166 GLU CB C 31.82 0.10 1 1802 166 166 GLU CG C 36.64 0.10 1 1803 166 166 GLU N N 118.77 0.10 1 1804 167 167 ARG H H 7.42 0.02 1 1805 167 167 ARG HA H 3.72 0.02 1 1806 167 167 ARG HB2 H 2.19 0.02 2 1807 167 167 ARG HB3 H 1.72 0.02 2 1808 167 167 ARG HG3 H 1.37 0.02 2 1809 167 167 ARG HD2 H 3.10 0.02 2 1810 167 167 ARG HD3 H 2.95 0.02 2 1811 167 167 ARG HE H 5.91 0.02 1 1812 167 167 ARG C C 176.43 0.10 1 1813 167 167 ARG CA C 61.59 0.10 1 1814 167 167 ARG CB C 30.37 0.10 1 1815 167 167 ARG CG C 29.42 0.10 1 1816 167 167 ARG CD C 45.03 0.10 1 1817 167 167 ARG N N 118.80 0.10 1 1818 167 167 ARG NE N 83.23 0.10 1 1819 168 168 LEU H H 8.77 0.02 1 1820 168 168 LEU HA H 3.90 0.02 1 1821 168 168 LEU HB2 H 1.90 0.02 2 1822 168 168 LEU HB3 H 1.23 0.02 2 1823 168 168 LEU HD1 H 1.40 0.02 1 1824 168 168 LEU HD2 H 0.81 0.02 1 1825 168 168 LEU C C 177.80 0.10 1 1826 168 168 LEU CA C 59.01 0.10 1 1827 168 168 LEU CB C 41.36 0.10 1 1828 168 168 LEU CG C 24.05 0.10 1 1829 168 168 LEU CD1 C 26.81 0.10 1 1830 168 168 LEU CD2 C 25.62 0.10 1 1831 168 168 LEU N N 120.47 0.10 1 1832 169 169 SER H H 8.57 0.02 1 1833 169 169 SER HA H 4.29 0.02 1 1834 169 169 SER HB2 H 4.07 0.02 2 1835 169 169 SER HB3 H 3.94 0.02 2 1836 169 169 SER C C 177.70 0.10 1 1837 169 169 SER CA C 61.23 0.10 1 1838 169 169 SER CB C 62.49 0.10 1 1839 169 169 SER N N 112.95 0.10 1 1840 170 170 ALA H H 8.09 0.02 1 1841 170 170 ALA HA H 4.23 0.02 1 1842 170 170 ALA HB H 1.41 0.02 1 1843 170 170 ALA C C 180.24 0.10 1 1844 170 170 ALA CA C 55.14 0.10 1 1845 170 170 ALA CB C 20.38 0.10 1 1846 170 170 ALA N N 124.13 0.10 1 1847 171 171 ALA H H 8.34 0.02 1 1848 171 171 ALA HA H 3.98 0.02 1 1849 171 171 ALA HB H 1.64 0.02 1 1850 171 171 ALA C C 178.68 0.10 1 1851 171 171 ALA CA C 55.37 0.10 1 1852 171 171 ALA CB C 18.73 0.10 1 1853 171 171 ALA N N 121.92 0.10 1 1854 172 172 ALA H H 8.38 0.02 1 1855 172 172 ALA HA H 3.90 0.02 1 1856 172 172 ALA HB H 1.46 0.02 1 1857 172 172 ALA C C 179.85 0.10 1 1858 172 172 ALA CA C 55.37 0.10 1 1859 172 172 ALA CB C 18.31 0.10 1 1860 172 172 ALA N N 118.77 0.10 1 1861 173 173 ALA H H 8.10 0.02 1 1862 173 173 ALA HA H 4.25 0.02 1 1863 173 173 ALA HB H 1.59 0.02 1 1864 173 173 ALA C C 181.22 0.10 1 1865 173 173 ALA CA C 54.79 0.10 1 1866 173 173 ALA CB C 18.73 0.10 1 1867 173 173 ALA N N 119.70 0.10 1 1868 174 174 ARG H H 7.75 0.02 1 1869 174 174 ARG HA H 4.18 0.02 1 1870 174 174 ARG HB2 H 1.89 0.02 2 1871 174 174 ARG HB3 H 1.68 0.02 2 1872 174 174 ARG HG2 H 1.93 0.02 2 1873 174 174 ARG HG3 H 1.84 0.02 2 1874 174 174 ARG HD2 H 3.30 0.02 2 1875 174 174 ARG HD3 H 3.28 0.02 2 1876 174 174 ARG HE H 7.40 0.02 1 1877 174 174 ARG C C 177.99 0.10 1 1878 174 174 ARG CA C 57.73 0.10 1 1879 174 174 ARG CB C 28.92 0.10 1 1880 174 174 ARG CG C 27.08 0.10 1 1881 174 174 ARG CD C 42.47 0.10 1 1882 174 174 ARG N N 118.96 0.10 1 1883 174 174 ARG NE N 83.97 0.10 1 1884 175 175 LEU H H 7.61 0.02 1 1885 175 175 LEU HA H 4.45 0.02 1 1886 175 175 LEU HB2 H 1.95 0.02 2 1887 175 175 LEU HB3 H 1.77 0.02 2 1888 175 175 LEU HG H 1.39 0.02 1 1889 175 175 LEU HD1 H 0.78 0.02 2 1890 175 175 LEU HD2 H 1.00 0.02 2 1891 175 175 LEU C C 177.51 0.10 1 1892 175 175 LEU CA C 55.03 0.10 1 1893 175 175 LEU CB C 43.64 0.10 1 1894 175 175 LEU CG C 24.99 0.10 1 1895 175 175 LEU CD1 C 26.15 0.10 2 1896 175 175 LEU CD2 C 23.82 0.10 2 1897 175 175 LEU N N 117.80 0.10 1 1898 176 176 GLY H H 8.05 0.02 1 1899 176 176 GLY HA2 H 4.11 0.02 2 1900 176 176 GLY HA3 H 3.87 0.02 2 1901 176 176 GLY C C 174.58 0.10 1 1902 176 176 GLY CA C 45.88 0.10 1 1903 176 176 GLY N N 108.03 0.10 1 1904 177 177 VAL H H 7.56 0.02 1 1905 177 177 VAL HA H 4.29 0.02 1 1906 177 177 VAL HB H 1.97 0.02 1 1907 177 177 VAL HG1 H 0.83 0.02 1 1908 177 177 VAL HG2 H 0.87 0.02 1 1909 177 177 VAL C C 174.28 0.10 1 1910 177 177 VAL CA C 60.53 0.10 1 1911 177 177 VAL CB C 34.10 0.10 1 1912 177 177 VAL CG1 C 21.03 0.10 1 1913 177 177 VAL CG2 C 20.79 0.10 1 1914 177 177 VAL N N 117.16 0.10 1 1915 178 178 ASN H H 8.48 0.02 1 1916 178 178 ASN HA H 4.69 0.02 1 1917 178 178 ASN HB2 H 2.92 0.02 2 1918 178 178 ASN HB3 H 2.74 0.02 2 1919 178 178 ASN HD21 H 7.72 0.02 1 1920 178 178 ASN HD22 H 7.03 0.02 1 1921 178 178 ASN C C 176.04 0.10 1 1922 178 178 ASN CA C 52.33 0.10 1 1923 178 178 ASN CB C 38.66 0.10 1 1924 178 178 ASN N N 123.20 0.10 1 1925 178 178 ASN ND2 N 112.63 0.10 1 1926 179 179 LEU H H 8.68 0.02 1 1927 179 179 LEU HA H 4.00 0.02 1 1928 179 179 LEU HB2 H 1.64 0.02 2 1929 179 179 LEU HB3 H 1.64 0.02 2 1930 179 179 LEU HG H 1.61 0.02 1 1931 179 179 LEU HD1 H 0.87 0.02 1 1932 179 179 LEU HD2 H 0.82 0.02 1 1933 179 179 LEU C C 178.48 0.10 1 1934 179 179 LEU CA C 57.25 0.10 1 1935 179 179 LEU CB C 41.98 0.10 1 1936 179 179 LEU CG C 27.08 0.10 1 1937 179 179 LEU CD1 C 24.75 0.10 1 1938 179 179 LEU CD2 C 23.82 0.10 1 1939 179 179 LEU N N 125.52 0.10 1 1940 180 180 SER H H 8.34 0.02 1 1941 180 180 SER HA H 4.27 0.02 1 1942 180 180 SER HB2 H 3.92 0.02 2 1943 180 180 SER HB3 H 3.92 0.02 2 1944 180 180 SER C C 175.65 0.10 1 1945 180 180 SER CA C 60.65 0.10 1 1946 180 180 SER CB C 62.91 0.10 1 1947 180 180 SER N N 114.46 0.10 1 1948 181 181 LEU H H 7.61 0.02 1 1949 181 181 LEU HA H 4.31 0.02 1 1950 181 181 LEU HB2 H 1.70 0.02 2 1951 181 181 LEU HB3 H 1.70 0.02 2 1952 181 181 LEU HG H 1.57 0.02 1 1953 181 181 LEU HD1 H 0.95 0.02 1 1954 181 181 LEU HD2 H 0.84 0.02 1 1955 181 181 LEU C C 177.90 0.10 1 1956 181 181 LEU CA C 56.08 0.10 1 1957 181 181 LEU CB C 42.18 0.10 1 1958 181 181 LEU CG C 27.08 0.10 1 1959 181 181 LEU CD1 C 24.99 0.10 1 1960 181 181 LEU CD2 C 23.36 0.10 1 1961 181 181 LEU N N 121.69 0.10 1 1962 182 182 LEU H H 7.66 0.02 1 1963 182 182 LEU HA H 4.34 0.02 1 1964 182 182 LEU HB2 H 1.81 0.02 2 1965 182 182 LEU HB3 H 1.64 0.02 2 1966 182 182 LEU HG H 1.56 0.02 1 1967 182 182 LEU HD1 H 0.86 0.02 1 1968 182 182 LEU HD2 H 0.90 0.02 1 1969 182 182 LEU C C 177.99 0.10 1 1970 182 182 LEU CA C 55.84 0.10 1 1971 182 182 LEU CB C 42.39 0.10 1 1972 182 182 LEU CG C 27.08 0.10 1 1973 182 182 LEU CD1 C 25.45 0.10 1 1974 182 182 LEU CD2 C 23.12 0.10 1 1975 182 182 LEU N N 118.35 0.10 1 1976 183 183 THR H H 7.79 0.02 1 1977 183 183 THR HA H 4.27 0.02 1 1978 183 183 THR HB H 4.30 0.02 1 1979 183 183 THR HG2 H 1.17 0.02 1 1980 183 183 THR C C 174.48 0.10 1 1981 183 183 THR CA C 62.17 0.10 1 1982 183 183 THR CB C 69.74 0.10 1 1983 183 183 THR CG2 C 21.49 0.10 1 1984 183 183 THR N N 111.63 0.10 1 1985 184 184 ALA H H 7.92 0.02 1 1986 184 184 ALA HA H 4.29 0.02 1 1987 184 184 ALA HB H 1.41 0.02 1 1988 184 184 ALA C C 177.80 0.10 1 1989 184 184 ALA CA C 53.03 0.10 1 1990 184 184 ALA CB C 19.76 0.10 1 1991 184 184 ALA N N 125.26 0.10 1 1992 185 185 GLN H H 8.25 0.02 1 1993 185 185 GLN HA H 4.27 0.02 1 1994 185 185 GLN HB2 H 2.10 0.02 2 1995 185 185 GLN HB3 H 1.97 0.02 2 1996 185 185 GLN HG2 H 2.46 0.02 2 1997 185 185 GLN HG3 H 2.38 0.02 2 1998 185 185 GLN HE21 H 7.50 0.02 1 1999 185 185 GLN HE22 H 6.82 0.02 1 2000 185 185 GLN C C 175.85 0.10 1 2001 185 185 GLN CA C 55.84 0.10 1 2002 185 185 GLN CB C 29.55 0.10 1 2003 185 185 GLN CG C 33.84 0.10 1 2004 185 185 GLN N N 119.02 0.10 1 2005 185 185 GLN NE2 N 111.92 0.10 1 2006 186 186 ALA H H 8.23 0.02 1 2007 186 186 ALA HA H 4.29 0.02 1 2008 186 186 ALA HB H 1.39 0.02 1 2009 186 186 ALA C C 178.09 0.10 1 2010 186 186 ALA CA C 52.68 0.10 1 2011 186 186 ALA CB C 19.97 0.10 1 2012 186 186 ALA N N 124.84 0.10 1 2013 187 187 GLY H H 8.31 0.02 1 2014 187 187 GLY HA2 H 3.92 0.02 2 2015 187 187 GLY HA3 H 3.92 0.02 2 2016 187 187 GLY C C 173.60 0.10 1 2017 187 187 GLY CA C 45.18 0.10 1 2018 187 187 GLY N N 107.91 0.10 1 2019 188 188 HIS H H 8.07 0.02 1 2020 188 188 HIS HA H 4.67 0.02 1 2021 188 188 HIS HB2 H 3.19 0.02 2 2022 188 188 HIS HB3 H 3.14 0.02 2 2023 188 188 HIS HD2 H 7.16 0.02 1 2024 188 188 HIS HE1 H 8.26 0.02 1 2025 188 188 HIS C C 173.60 0.10 1 2026 188 188 HIS CA C 55.37 0.10 1 2027 188 188 HIS CB C 30.17 0.10 1 2028 188 188 HIS CD2 C 120.64 0.10 1 2029 188 188 HIS CE1 C 137.29 0.10 1 2030 188 188 HIS N N 118.25 0.10 1 2031 189 189 ALA H H 8.18 0.02 1 2032 189 189 ALA HA H 4.14 0.02 1 2033 189 189 ALA HB H 1.33 0.02 1 2034 189 189 ALA C C 182.68 0.10 1 2035 189 189 ALA CA C 53.73 0.10 1 2036 189 189 ALA CB C 20.80 0.10 1 2037 189 189 ALA N N 131.01 0.10 1 stop_ save_