data_6199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for 5,10-methenyltetrahydrofolate synthetase ; _BMRB_accession_number 6199 _BMRB_flat_file_name bmr6199.str _Entry_type original _Submission_date 2004-04-28 _Accession_date 2004-05-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Northeast Structural Genomics Consortium target QR46' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . 3 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 918 "13C chemical shifts" 737 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-08-24 original author . stop_ _Original_release_date 2007-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of 5,10 methenyltetrahydrofolate synthetase from Aquifex aeolicus' _Citation_status 'in preparation' _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 Cort John R. . 2 Kennedy Michael A. . 3 Montelione Gaetano T. . 4 Chiang Yiwen . . 5 Acton Thomas . . 6 Wu M. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_methenyltetrahydrofolate _Saveframe_category molecular_system _Mol_system_name '5,10 methenyltetrahydrofolate synthetase' _Abbreviation_common '5,10 methenyltetrahydrofolate synthetase' _Enzyme_commission_number 6.3.3.2 loop_ _Mol_system_component_name _Mol_label '5,10 methenyltetrahydrofolate synthetase' $5-10-methenyltetrahydrofolate stop_ _System_molecular_weight 22300 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'The gene name is aq_1731' save_ ######################## # Monomeric polymers # ######################## save_5-10-methenyltetrahydrofolate _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 5,10-methenyltetrahydrofolate _Abbreviation_common 5,10-methenyltetrahydrofolate _Molecular_mass 22318 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 194 _Mol_residue_sequence ; MLKSELRKKVLHKRINLSEE ERRRLSEKVISNLKSLPEFK KSKKVALYCPIKGEVDLTPL FPEVLKEKELILPKVEGNEI SLYRVHSPACLGVGAFGIME PVEGERVNPEDVDFIAVPGV AFDLEGYRLGFGKGYYDRLL KRVKGLKVGVAYSFQVFERL PRDAWDIPVDVLVTEKNVRR LRDGRSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 LEU 3 1 LYS 4 2 SER 5 3 GLU 6 4 LEU 7 5 ARG 8 6 LYS 9 7 LYS 10 8 VAL 11 9 LEU 12 10 HIS 13 11 LYS 14 12 ARG 15 13 ILE 16 14 ASN 17 15 LEU 18 16 SER 19 17 GLU 20 18 GLU 21 19 GLU 22 20 ARG 23 21 ARG 24 22 ARG 25 23 LEU 26 24 SER 27 25 GLU 28 26 LYS 29 27 VAL 30 28 ILE 31 29 SER 32 30 ASN 33 31 LEU 34 32 LYS 35 33 SER 36 34 LEU 37 35 PRO 38 36 GLU 39 37 PHE 40 38 LYS 41 39 LYS 42 40 SER 43 41 LYS 44 42 LYS 45 43 VAL 46 44 ALA 47 45 LEU 48 46 TYR 49 47 CYS 50 48 PRO 51 49 ILE 52 50 LYS 53 51 GLY 54 52 GLU 55 53 VAL 56 54 ASP 57 55 LEU 58 56 THR 59 57 PRO 60 58 LEU 61 59 PHE 62 60 PRO 63 61 GLU 64 62 VAL 65 63 LEU 66 64 LYS 67 65 GLU 68 66 LYS 69 67 GLU 70 68 LEU 71 69 ILE 72 70 LEU 73 71 PRO 74 72 LYS 75 73 VAL 76 74 GLU 77 75 GLY 78 76 ASN 79 77 GLU 80 78 ILE 81 79 SER 82 80 LEU 83 81 TYR 84 82 ARG 85 83 VAL 86 84 HIS 87 85 SER 88 86 PRO 89 87 ALA 90 88 CYS 91 89 LEU 92 90 GLY 93 91 VAL 94 92 GLY 95 93 ALA 96 94 PHE 97 95 GLY 98 96 ILE 99 97 MET 100 98 GLU 101 99 PRO 102 100 VAL 103 101 GLU 104 102 GLY 105 103 GLU 106 104 ARG 107 105 VAL 108 106 ASN 109 107 PRO 110 108 GLU 111 109 ASP 112 110 VAL 113 111 ASP 114 112 PHE 115 113 ILE 116 114 ALA 117 115 VAL 118 116 PRO 119 117 GLY 120 118 VAL 121 119 ALA 122 120 PHE 123 121 ASP 124 122 LEU 125 123 GLU 126 124 GLY 127 125 TYR 128 126 ARG 129 127 LEU 130 128 GLY 131 129 PHE 132 130 GLY 133 131 LYS 134 132 GLY 135 133 TYR 136 134 TYR 137 135 ASP 138 136 ARG 139 137 LEU 140 138 LEU 141 139 LYS 142 140 ARG 143 141 VAL 144 142 LYS 145 143 GLY 146 144 LEU 147 145 LYS 148 146 VAL 149 147 GLY 150 148 VAL 151 149 ALA 152 150 TYR 153 151 SER 154 152 PHE 155 153 GLN 156 154 VAL 157 155 PHE 158 156 GLU 159 157 ARG 160 158 LEU 161 159 PRO 162 160 ARG 163 161 ASP 164 162 ALA 165 163 TRP 166 164 ASP 167 165 ILE 168 166 PRO 169 167 VAL 170 168 ASP 171 169 VAL 172 170 LEU 173 171 VAL 174 172 THR 175 173 GLU 176 174 LYS 177 175 ASN 178 176 VAL 179 177 ARG 180 178 ARG 181 179 LEU 182 180 ARG 183 181 ASP 184 182 GLY 185 183 ARG 186 184 SER 187 185 LEU 188 186 GLU 189 187 HIS 190 188 HIS 191 189 HIS 192 190 HIS 193 191 HIS 194 192 HIS 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 1SOU "Nmr Structure Of Aquifex Aeolicus 5,10- Methenyltetrahydrofolate Synthetase: Northeast Structural Genomics Consortium Target Qr" 100.00 194 100.00 100.00 1.33e-134 GB AAC07587 "hypothetical protein aq_1731 [Aquifex aeolicus VF5]" 95.88 186 100.00 100.00 3.09e-127 REF NP_214187 "hypothetical protein aq_1731 [Aquifex aeolicus VF5]" 95.88 186 100.00 100.00 3.09e-127 REF WP_010881124 "5-formyltetrahydrofolate cyclo-ligase [Aquifex aeolicus]" 95.88 186 100.00 100.00 3.09e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $5-10-methenyltetrahydrofolate 'Aquifex aeolicus' 63363 Bacteria . Aquifex aeolicus 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 $5-10-methenyltetrahydrofolate 'recombinant technology' . . . . . 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 $5-10-methenyltetrahydrofolate 1 mM '[U-13C; U-15N]' 'MES (2-morpholinoethanesulfonic acid)' 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $5-10-methenyltetrahydrofolate 1 mM '[U-13C; U-15N]' 'MES (2-morpholinoethanesulfonic acid)' 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . D2O 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_N15_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15 NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_C13_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C13 NOESY-HSQC' _Sample_label $sample_1 save_ save_1H-15N-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _Sample_label . save_ save_1H-13C-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HSQC _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_CCC-TOCSY-NNH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_CBCACOCAHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_HBCBCGCDHD-ARO_14 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD-ARO _Sample_label . save_ save_HBCBCGCDCEHE-ARO_15 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE-ARO _Sample_label . save_ save_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_4D-13C-13C-HMQC-NOESY-HMQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-13C-13C-HMQC-NOESY-HMQC _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 1 K 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 external indirect . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 na indirect . . . 0.101329118 $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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name '5,10 methenyltetrahydrofolate synthetase' _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 3 LYS HA H 3.69 0.02 1 2 1 3 LYS HB2 H 1.67 0.02 2 3 1 3 LYS HB3 H 1.89 0.02 2 4 1 3 LYS C C 178.0 0.2 1 5 1 3 LYS CA C 61.6 0.2 1 6 1 3 LYS CB C 33.2 0.2 1 7 2 4 SER H H 8.36 0.02 1 8 2 4 SER C C 176.8 0.2 1 9 2 4 SER CA C 61.1 0.2 1 10 2 4 SER CB C 62.2 0.2 1 11 2 4 SER N N 111.4 0.2 1 12 3 5 GLU H H 7.03 0.02 1 13 3 5 GLU HA H 4.12 0.02 1 14 3 5 GLU HB2 H 2.08 0.02 2 15 3 5 GLU HB3 H 2.15 0.02 2 16 3 5 GLU HG2 H 2.25 0.02 2 17 3 5 GLU HG3 H 2.32 0.02 2 18 3 5 GLU C C 178.4 0.2 1 19 3 5 GLU CA C 58.6 0.2 1 20 3 5 GLU CB C 29.9 0.2 1 21 3 5 GLU CG C 36.5 0.2 1 22 3 5 GLU N N 122.6 0.2 1 23 4 6 LEU H H 7.89 0.02 1 24 4 6 LEU HA H 3.98 0.02 1 25 4 6 LEU HB2 H 1.32 0.02 2 26 4 6 LEU HB3 H 1.46 0.02 2 27 4 6 LEU HG H 1.27 0.02 1 28 4 6 LEU HD1 H 0.43 0.02 1 29 4 6 LEU HD2 H 0.33 0.02 1 30 4 6 LEU C C 178.1 0.2 1 31 4 6 LEU CA C 58.3 0.2 1 32 4 6 LEU CB C 42.3 0.2 1 33 4 6 LEU CG C 27.0 0.2 1 34 4 6 LEU CD1 C 24.2 0.2 1 35 4 6 LEU CD2 C 24.7 0.2 1 36 4 6 LEU N N 121.7 0.2 1 37 5 7 ARG H H 8.23 0.02 1 38 5 7 ARG HA H 3.67 0.02 1 39 5 7 ARG HB2 H 1.89 0.02 2 40 5 7 ARG HB3 H 1.91 0.02 2 41 5 7 ARG HG2 H 1.58 0.02 2 42 5 7 ARG HG3 H 1.60 0.02 2 43 5 7 ARG C C 177.1 0.2 1 44 5 7 ARG CA C 60.1 0.2 1 45 5 7 ARG CB C 30.6 0.2 1 46 5 7 ARG N N 116.7 0.2 1 47 6 8 LYS H H 7.36 0.02 1 48 6 8 LYS HA H 3.97 0.02 1 49 6 8 LYS HB2 H 1.90 0.02 2 50 6 8 LYS HB3 H 1.97 0.02 2 51 6 8 LYS C C 179.0 0.2 1 52 6 8 LYS CA C 60.0 0.2 1 53 6 8 LYS CB C 32.8 0.2 1 54 6 8 LYS N N 115.8 0.2 1 55 7 9 LYS H H 7.77 0.02 1 56 7 9 LYS HA H 4.16 0.02 1 57 7 9 LYS HB2 H 1.98 0.02 2 58 7 9 LYS HB3 H 2.03 0.02 2 59 7 9 LYS HG2 H 1.51 0.02 2 60 7 9 LYS HG3 H 1.62 0.02 2 61 7 9 LYS HD2 H 1.73 0.02 2 62 7 9 LYS HD3 H 1.75 0.02 2 63 7 9 LYS HE2 H 3.01 0.02 2 64 7 9 LYS HE3 H 3.03 0.02 2 65 7 9 LYS C C 179.6 0.2 1 66 7 9 LYS CA C 59.8 0.2 1 67 7 9 LYS CB C 33.0 0.2 1 68 7 9 LYS CG C 25.2 0.2 1 69 7 9 LYS CD C 29.5 0.2 1 70 7 9 LYS CE C 41.9 0.2 1 71 7 9 LYS N N 118.7 0.2 1 72 8 10 VAL H H 8.43 0.02 1 73 8 10 VAL HA H 3.92 0.02 1 74 8 10 VAL HB H 2.07 0.02 1 75 8 10 VAL HG1 H 1.50 0.02 1 76 8 10 VAL HG2 H 1.39 0.02 1 77 8 10 VAL C C 178.5 0.2 1 78 8 10 VAL CA C 66.8 0.2 1 79 8 10 VAL CB C 32.1 0.2 1 80 8 10 VAL CG1 C 23.3 0.2 1 81 8 10 VAL CG2 C 23.5 0.2 1 82 8 10 VAL N N 119.7 0.2 1 83 9 11 LEU H H 8.58 0.02 1 84 9 11 LEU HA H 4.14 0.02 1 85 9 11 LEU HB2 H 1.79 0.02 2 86 9 11 LEU HB3 H 1.95 0.02 2 87 9 11 LEU HG H 1.92 0.02 1 88 9 11 LEU HD1 H 1.14 0.02 1 89 9 11 LEU HD2 H 1.10 0.02 1 90 9 11 LEU C C 178.2 0.2 1 91 9 11 LEU CA C 58.7 0.2 1 92 9 11 LEU CB C 41.6 0.2 1 93 9 11 LEU CG C 27.1 0.2 1 94 9 11 LEU CD1 C 25.6 0.2 1 95 9 11 LEU CD2 C 24.9 0.2 1 96 9 11 LEU N N 120.2 0.2 1 97 10 12 HIS H H 7.85 0.02 1 98 10 12 HIS HA H 4.22 0.02 1 99 10 12 HIS HB2 H 3.20 0.02 2 100 10 12 HIS HB3 H 3.27 0.02 2 101 10 12 HIS C C 177.5 0.2 1 102 10 12 HIS CA C 60.4 0.2 1 103 10 12 HIS CB C 30.4 0.2 1 104 10 12 HIS N N 116.6 0.2 1 105 11 13 LYS H H 7.30 0.02 1 106 11 13 LYS HA H 3.96 0.02 1 107 11 13 LYS HB2 H 1.78 0.02 2 108 11 13 LYS HB3 H 1.92 0.02 2 109 11 13 LYS HG2 H 0.75 0.02 2 110 11 13 LYS HG3 H 1.22 0.02 2 111 11 13 LYS HD2 H 1.26 0.02 2 112 11 13 LYS HD3 H 1.47 0.02 2 113 11 13 LYS HE2 H 2.38 0.02 2 114 11 13 LYS HE3 H 2.52 0.02 2 115 11 13 LYS C C 178.6 0.2 1 116 11 13 LYS CA C 59.0 0.2 1 117 11 13 LYS CB C 32.6 0.2 1 118 11 13 LYS CG C 24.9 0.2 1 119 11 13 LYS CD C 29.2 0.2 1 120 11 13 LYS CE C 41.7 0.2 1 121 11 13 LYS N N 117.6 0.2 1 122 12 14 ARG H H 8.70 0.02 1 123 12 14 ARG HA H 4.11 0.02 1 124 12 14 ARG CA C 60.3 0.2 1 125 12 14 ARG N N 118.8 0.2 1 126 13 15 ILE H H 8.77 0.02 1 127 13 15 ILE HA H 3.81 0.02 1 128 13 15 ILE HB H 1.89 0.02 1 129 13 15 ILE HG12 H 1.18 0.02 2 130 13 15 ILE HG13 H 1.59 0.02 2 131 13 15 ILE HG2 H 0.89 0.02 1 132 13 15 ILE HD1 H 0.86 0.02 1 133 13 15 ILE CA C 64.0 0.2 1 134 13 15 ILE CB C 38.4 0.2 1 135 13 15 ILE CG1 C 29.2 0.2 1 136 13 15 ILE CG2 C 17.3 0.2 1 137 13 15 ILE CD1 C 14.1 0.2 1 138 13 15 ILE N N 116.6 0.2 1 139 14 16 ASN HA H 4.60 0.02 1 140 14 16 ASN HB2 H 2.50 0.02 2 141 14 16 ASN HB3 H 2.75 0.02 2 142 14 16 ASN HD21 H 6.65 0.02 2 143 14 16 ASN HD22 H 7.40 0.02 2 144 14 16 ASN C C 175.1 0.2 1 145 14 16 ASN CA C 54.2 0.2 1 146 14 16 ASN CB C 39.7 0.2 1 147 14 16 ASN ND2 N 114.3 0.2 1 148 15 17 LEU H H 7.02 0.02 1 149 15 17 LEU HA H 4.29 0.02 1 150 15 17 LEU HB2 H 1.41 0.02 2 151 15 17 LEU HB3 H 1.75 0.02 2 152 15 17 LEU HG H 1.95 0.02 1 153 15 17 LEU HD1 H 0.67 0.02 1 154 15 17 LEU HD2 H 0.62 0.02 1 155 15 17 LEU C C 177.6 0.2 1 156 15 17 LEU CA C 55.6 0.2 1 157 15 17 LEU CB C 43.8 0.2 1 158 15 17 LEU CG C 26.3 0.2 1 159 15 17 LEU CD1 C 25.9 0.2 1 160 15 17 LEU CD2 C 23.4 0.2 1 161 15 17 LEU N N 121.8 0.2 1 162 16 18 SER H H 9.14 0.02 1 163 16 18 SER HA H 4.42 0.02 1 164 16 18 SER HB2 H 4.14 0.02 2 165 16 18 SER HB3 H 4.41 0.02 2 166 16 18 SER C C 174.6 0.2 1 167 16 18 SER CA C 57.8 0.2 1 168 16 18 SER CB C 64.9 0.2 1 169 16 18 SER N N 121.5 0.2 1 170 17 19 GLU H H 9.05 0.02 1 171 17 19 GLU HA H 3.97 0.02 1 172 17 19 GLU HB2 H 2.05 0.02 2 173 17 19 GLU HB3 H 2.11 0.02 2 174 17 19 GLU HG2 H 2.36 0.02 2 175 17 19 GLU HG3 H 2.39 0.02 2 176 17 19 GLU C C 179.0 0.2 1 177 17 19 GLU CA C 60.1 0.2 1 178 17 19 GLU CB C 29.4 0.2 1 179 17 19 GLU CG C 36.1 0.2 1 180 17 19 GLU N N 122.4 0.2 1 181 18 20 GLU H H 8.72 0.02 1 182 18 20 GLU HA H 4.10 0.02 1 183 18 20 GLU HB2 H 1.97 0.02 2 184 18 20 GLU HB3 H 2.11 0.02 2 185 18 20 GLU HG2 H 2.31 0.02 2 186 18 20 GLU HG3 H 2.37 0.02 2 187 18 20 GLU C C 178.6 0.2 1 188 18 20 GLU CA C 59.9 0.2 1 189 18 20 GLU CB C 29.4 0.2 1 190 18 20 GLU CG C 36.3 0.2 1 191 18 20 GLU N N 118.5 0.2 1 192 19 21 GLU H H 7.92 0.02 1 193 19 21 GLU HA H 4.14 0.02 1 194 19 21 GLU HB2 H 1.96 0.02 2 195 19 21 GLU HB3 H 2.13 0.02 2 196 19 21 GLU HG2 H 2.25 0.02 2 197 19 21 GLU HG3 H 2.29 0.02 2 198 19 21 GLU C C 178.7 0.2 1 199 19 21 GLU CA C 59.4 0.2 1 200 19 21 GLU CB C 30.0 0.2 1 201 19 21 GLU CG C 36.5 0.2 1 202 19 21 GLU N N 121.3 0.2 1 203 20 22 ARG H H 8.65 0.02 1 204 20 22 ARG HA H 3.97 0.02 1 205 20 22 ARG HB2 H 1.94 0.02 2 206 20 22 ARG HB3 H 1.96 0.02 2 207 20 22 ARG HG2 H 1.58 0.02 2 208 20 22 ARG HG3 H 1.84 0.02 2 209 20 22 ARG C C 180.0 0.2 1 210 20 22 ARG CA C 61.1 0.2 1 211 20 22 ARG CB C 30.4 0.2 1 212 20 22 ARG CG C 29.4 0.2 1 213 20 22 ARG CD C 44.0 0.2 1 214 20 22 ARG N N 118.3 0.2 1 215 21 23 ARG H H 8.41 0.02 1 216 21 23 ARG HA H 4.16 0.02 1 217 21 23 ARG HB2 H 1.77 0.02 2 218 21 23 ARG HB3 H 2.01 0.02 2 219 21 23 ARG HG2 H 1.62 0.02 2 220 21 23 ARG HG3 H 1.64 0.02 2 221 21 23 ARG C C 178.5 0.2 1 222 21 23 ARG CA C 60.0 0.2 1 223 21 23 ARG CB C 30.1 0.2 1 224 21 23 ARG N N 122.0 0.2 1 225 22 24 ARG H H 8.18 0.02 1 226 22 24 ARG HA H 4.12 0.02 1 227 22 24 ARG HB2 H 1.96 0.02 2 228 22 24 ARG HB3 H 2.01 0.02 2 229 22 24 ARG HG2 H 1.63 0.02 2 230 22 24 ARG HG3 H 1.77 0.02 2 231 22 24 ARG C C 180.1 0.2 1 232 22 24 ARG CA C 59.8 0.2 1 233 22 24 ARG CB C 30.7 0.2 1 234 22 24 ARG CG C 27.5 0.2 1 235 22 24 ARG CD C 43.2 0.2 1 236 22 24 ARG N N 120.7 0.2 1 237 23 25 LEU H H 8.79 0.02 1 238 23 25 LEU HA H 4.17 0.02 1 239 23 25 LEU HB2 H 1.58 0.02 2 240 23 25 LEU HB3 H 2.25 0.02 2 241 23 25 LEU HG H 2.07 0.02 1 242 23 25 LEU HD1 H 0.80 0.02 1 243 23 25 LEU HD2 H 0.98 0.02 1 244 23 25 LEU C C 180.0 0.2 1 245 23 25 LEU CA C 58.2 0.2 1 246 23 25 LEU CB C 43.1 0.2 1 247 23 25 LEU CG C 27.2 0.2 1 248 23 25 LEU CD1 C 25.7 0.2 1 249 23 25 LEU CD2 C 23.2 0.2 1 250 23 25 LEU N N 118.4 0.2 1 251 24 26 SER H H 8.64 0.02 1 252 24 26 SER HA H 4.06 0.02 2 253 24 26 SER HB2 H 4.37 0.02 2 254 24 26 SER HG H 5.15 0.02 1 255 24 26 SER C C 175.2 0.2 1 256 24 26 SER CA C 64.2 0.2 1 257 24 26 SER CB C 62.9 0.2 1 258 24 26 SER N N 115.5 0.2 1 259 25 27 GLU H H 8.17 0.02 1 260 25 27 GLU HA H 3.89 0.02 1 261 25 27 GLU HB2 H 2.12 0.02 2 262 25 27 GLU HB3 H 2.23 0.02 2 263 25 27 GLU HG2 H 2.21 0.02 2 264 25 27 GLU HG3 H 2.42 0.02 2 265 25 27 GLU C C 179.0 0.2 1 266 25 27 GLU CA C 60.2 0.2 1 267 25 27 GLU CB C 29.5 0.2 1 268 25 27 GLU CG C 36.4 0.2 1 269 25 27 GLU N N 121.1 0.2 1 270 26 28 LYS H H 7.15 0.02 1 271 26 28 LYS HA H 4.17 0.02 1 272 26 28 LYS HB2 H 2.20 0.02 2 273 26 28 LYS HB3 H 2.22 0.02 2 274 26 28 LYS HD2 H 1.73 0.02 2 275 26 28 LYS HD3 H 1.75 0.02 2 276 26 28 LYS HE2 H 3.04 0.02 2 277 26 28 LYS HE3 H 3.06 0.02 2 278 26 28 LYS C C 179.2 0.2 1 279 26 28 LYS CA C 58.9 0.2 1 280 26 28 LYS CB C 32.8 0.2 1 281 26 28 LYS CD C 28.9 0.2 1 282 26 28 LYS N N 119.0 0.2 1 283 27 29 VAL H H 8.01 0.02 1 284 27 29 VAL HA H 3.32 0.02 1 285 27 29 VAL HB H 2.07 0.02 1 286 27 29 VAL HG1 H 0.66 0.02 1 287 27 29 VAL HG2 H 0.85 0.02 1 288 27 29 VAL C C 178.1 0.2 1 289 27 29 VAL CA C 67.1 0.2 1 290 27 29 VAL CB C 30.7 0.2 1 291 27 29 VAL CG1 C 22.5 0.2 1 292 27 29 VAL CG2 C 21.6 0.2 1 293 27 29 VAL N N 120.4 0.2 1 294 28 30 ILE H H 8.62 0.02 1 295 28 30 ILE HA H 3.17 0.02 1 296 28 30 ILE HB H 1.86 0.02 1 297 28 30 ILE HG12 H 0.63 0.02 2 298 28 30 ILE HG13 H 1.79 0.02 2 299 28 30 ILE HG2 H 0.79 0.02 1 300 28 30 ILE HD1 H 0.88 0.02 1 301 28 30 ILE C C 177.0 0.2 1 302 28 30 ILE CA C 67.0 0.2 1 303 28 30 ILE CB C 38.3 0.2 1 304 28 30 ILE CG1 C 31.5 0.2 1 305 28 30 ILE CG2 C 17.9 0.2 1 306 28 30 ILE CD1 C 13.9 0.2 1 307 28 30 ILE N N 119.6 0.2 1 308 29 31 SER H H 7.74 0.02 1 309 29 31 SER HA H 3.95 0.02 1 310 29 31 SER HB2 H 3.92 0.02 2 311 29 31 SER HB3 H 3.95 0.02 2 312 29 31 SER C C 176.9 0.2 1 313 29 31 SER CA C 62.5 0.2 1 314 29 31 SER CB C 63.0 0.2 1 315 29 31 SER N N 113.7 0.2 1 316 30 32 ASN H H 7.67 0.02 1 317 30 32 ASN HA H 4.47 0.02 1 318 30 32 ASN HB2 H 2.34 0.02 2 319 30 32 ASN HB3 H 2.86 0.02 2 320 30 32 ASN HD21 H 6.00 0.02 2 321 30 32 ASN HD22 H 7.50 0.02 2 322 30 32 ASN C C 177.9 0.2 1 323 30 32 ASN CA C 55.3 0.2 1 324 30 32 ASN CB C 37.9 0.2 1 325 30 32 ASN N N 119.2 0.2 1 326 30 32 ASN ND2 N 108.8 0.2 1 327 31 33 LEU H H 8.92 0.02 1 328 31 33 LEU HA H 3.82 0.02 1 329 31 33 LEU HB2 H 1.49 0.02 2 330 31 33 LEU HB3 H 1.53 0.02 2 331 31 33 LEU HG H 1.55 0.02 1 332 31 33 LEU HD1 H 0.79 0.02 1 333 31 33 LEU HD2 H 0.57 0.02 1 334 31 33 LEU C C 177.3 0.2 1 335 31 33 LEU CA C 58.8 0.2 1 336 31 33 LEU CB C 43.0 0.2 1 337 31 33 LEU CG C 26.9 0.2 1 338 31 33 LEU CD1 C 26.9 0.2 1 339 31 33 LEU CD2 C 25.7 0.2 1 340 31 33 LEU N N 125.0 0.2 1 341 32 34 LYS H H 8.02 0.02 1 342 32 34 LYS HA H 3.27 0.02 1 343 32 34 LYS HB2 H 1.48 0.02 2 344 32 34 LYS HB3 H 1.52 0.02 2 345 32 34 LYS HD2 H 1.47 0.02 2 346 32 34 LYS HD3 H 1.48 0.02 2 347 32 34 LYS HE2 H 2.80 0.02 2 348 32 34 LYS HE3 H 2.84 0.02 2 349 32 34 LYS C C 176.6 0.2 1 350 32 34 LYS CA C 58.1 0.2 1 351 32 34 LYS CB C 31.8 0.2 1 352 32 34 LYS CD C 29.3 0.2 1 353 32 34 LYS CE C 40.9 0.2 1 354 32 34 LYS N N 113.8 0.2 1 355 33 35 SER H H 7.25 0.02 1 356 33 35 SER HA H 4.34 0.02 1 357 33 35 SER HB2 H 4.01 0.02 2 358 33 35 SER HB3 H 4.10 0.02 2 359 33 35 SER C C 174.9 0.2 1 360 33 35 SER CA C 59.3 0.2 1 361 33 35 SER CB C 64.2 0.2 1 362 33 35 SER N N 112.0 0.2 1 363 34 36 LEU H H 7.50 0.02 1 364 34 36 LEU HA H 4.57 0.02 1 365 34 36 LEU HB2 H 1.80 0.02 2 366 34 36 LEU HB3 H 2.20 0.02 2 367 34 36 LEU HG H 2.19 0.02 1 368 34 36 LEU HD1 H 1.12 0.02 1 369 34 36 LEU HD2 H 0.96 0.02 1 370 34 36 LEU CA C 53.5 0.2 1 371 34 36 LEU CB C 41.3 0.2 1 372 34 36 LEU CG C 27.1 0.2 1 373 34 36 LEU CD1 C 26.8 0.2 1 374 34 36 LEU CD2 C 24.3 0.2 1 375 34 36 LEU N N 124.6 0.2 1 376 35 37 PRO HA H 4.27 0.02 1 377 35 37 PRO HB2 H 1.95 0.02 2 378 35 37 PRO HB3 H 2.44 0.02 2 379 35 37 PRO HG2 H 2.12 0.02 2 380 35 37 PRO HG3 H 2.22 0.02 2 381 35 37 PRO HD2 H 3.74 0.02 2 382 35 37 PRO HD3 H 4.27 0.02 2 383 35 37 PRO C C 179.1 0.2 1 384 35 37 PRO CA C 65.6 0.2 1 385 35 37 PRO CB C 31.9 0.2 1 386 35 37 PRO CG C 27.8 0.2 1 387 35 37 PRO CD C 51.1 0.2 1 388 36 38 GLU H H 10.39 0.02 1 389 36 38 GLU HA H 3.96 0.02 1 390 36 38 GLU HB2 H 1.97 0.02 2 391 36 38 GLU HB3 H 2.25 0.02 2 392 36 38 GLU HG2 H 2.23 0.02 2 393 36 38 GLU HG3 H 2.73 0.02 2 394 36 38 GLU C C 180.1 0.2 1 395 36 38 GLU CA C 60.7 0.2 1 396 36 38 GLU CB C 29.1 0.2 1 397 36 38 GLU CG C 36.3 0.2 1 398 36 38 GLU N N 115.0 0.2 1 399 37 39 PHE H H 7.84 0.02 1 400 37 39 PHE HA H 3.36 0.02 1 401 37 39 PHE HB2 H 2.79 0.02 2 402 37 39 PHE HB3 H 3.27 0.02 2 403 37 39 PHE HD1 H 6.38 0.02 3 404 37 39 PHE HE1 H 6.95 0.02 3 405 37 39 PHE HZ H 6.84 0.02 1 406 37 39 PHE C C 177.0 0.2 1 407 37 39 PHE CA C 61.8 0.2 1 408 37 39 PHE CB C 39.1 0.2 1 409 37 39 PHE CD1 C 131.6 0.2 3 410 37 39 PHE CE1 C 130.3 0.2 3 411 37 39 PHE CZ C 128.6 0.2 1 412 37 39 PHE N N 119.9 0.2 1 413 38 40 LYS H H 7.40 0.02 1 414 38 40 LYS HA H 3.89 0.02 1 415 38 40 LYS HB2 H 1.89 0.02 2 416 38 40 LYS HB3 H 1.99 0.02 2 417 38 40 LYS HG2 H 1.51 0.02 2 418 38 40 LYS HG3 H 1.64 0.02 2 419 38 40 LYS HD2 H 1.71 0.02 2 420 38 40 LYS HD3 H 1.73 0.02 2 421 38 40 LYS C C 178.8 0.2 1 422 38 40 LYS CA C 59.8 0.2 1 423 38 40 LYS CB C 32.3 0.2 1 424 38 40 LYS CG C 25.4 0.2 1 425 38 40 LYS CD C 29.4 0.2 1 426 38 40 LYS N N 118.3 0.2 1 427 39 41 LYS H H 7.50 0.02 1 428 39 41 LYS HA H 4.15 0.02 1 429 39 41 LYS HB2 H 1.74 0.02 2 430 39 41 LYS HB3 H 1.86 0.02 2 431 39 41 LYS HG2 H 1.63 0.02 2 432 39 41 LYS HG3 H 1.65 0.02 2 433 39 41 LYS HD2 H 1.48 0.02 1 434 39 41 LYS C C 176.9 0.2 1 435 39 41 LYS CA C 57.1 0.2 1 436 39 41 LYS CB C 33.5 0.2 1 437 39 41 LYS CG C 25.0 0.2 1 438 39 41 LYS CD C 28.9 0.2 1 439 39 41 LYS N N 114.2 0.2 1 440 40 42 SER H H 7.04 0.02 1 441 40 42 SER HA H 4.03 0.02 1 442 40 42 SER HB2 H 3.51 0.02 2 443 40 42 SER HB3 H 3.64 0.02 2 444 40 42 SER C C 172.6 0.2 1 445 40 42 SER CA C 61.4 0.2 1 446 40 42 SER CB C 64.9 0.2 1 447 40 42 SER N N 115.8 0.2 1 448 41 43 LYS H H 8.82 0.02 1 449 41 43 LYS HA H 4.48 0.02 1 450 41 43 LYS HB2 H 1.79 0.02 2 451 41 43 LYS HB3 H 1.91 0.02 2 452 41 43 LYS HG2 H 1.35 0.02 2 453 41 43 LYS HG3 H 1.43 0.02 2 454 41 43 LYS HD2 H 1.67 0.02 2 455 41 43 LYS HD3 H 1.71 0.02 2 456 41 43 LYS C C 175.3 0.2 1 457 41 43 LYS CA C 57.5 0.2 1 458 41 43 LYS CB C 34.5 0.2 1 459 41 43 LYS CG C 25.1 0.2 1 460 41 43 LYS CD C 28.8 0.2 1 461 41 43 LYS N N 121.3 0.2 1 462 42 44 LYS H H 8.94 0.02 1 463 42 44 LYS HA H 4.53 0.02 1 464 42 44 LYS HB2 H 1.42 0.02 2 465 42 44 LYS HB3 H 1.97 0.02 2 466 42 44 LYS HG2 H 1.39 0.02 2 467 42 44 LYS HG3 H 1.41 0.02 2 468 42 44 LYS HE2 H 2.99 0.02 1 469 42 44 LYS C C 174.8 0.2 1 470 42 44 LYS CA C 57.2 0.2 1 471 42 44 LYS CB C 34.0 0.2 1 472 42 44 LYS CG C 26.0 0.2 1 473 42 44 LYS CE C 42.1 0.2 1 474 42 44 LYS N N 120.5 0.2 1 475 43 45 VAL H H 8.24 0.02 1 476 43 45 VAL HA H 4.65 0.02 1 477 43 45 VAL HB H 2.07 0.02 1 478 43 45 VAL HG1 H 0.80 0.02 1 479 43 45 VAL HG2 H 0.54 0.02 1 480 43 45 VAL C C 172.7 0.2 1 481 43 45 VAL CA C 61.7 0.2 1 482 43 45 VAL CB C 33.8 0.2 1 483 43 45 VAL CG1 C 21.4 0.2 1 484 43 45 VAL CG2 C 21.5 0.2 1 485 43 45 VAL N N 126.1 0.2 1 486 44 46 ALA H H 9.36 0.02 1 487 44 46 ALA HA H 5.93 0.02 1 488 44 46 ALA HB H 1.29 0.02 1 489 44 46 ALA C C 177.0 0.2 1 490 44 46 ALA CA C 49.5 0.2 1 491 44 46 ALA CB C 20.1 0.2 1 492 44 46 ALA N N 129.1 0.2 1 493 45 47 LEU H H 7.94 0.02 1 494 45 47 LEU HA H 5.14 0.02 1 495 45 47 LEU HB2 H 1.42 0.02 2 496 45 47 LEU HB3 H 1.74 0.02 2 497 45 47 LEU HG H 1.76 0.02 1 498 45 47 LEU HD1 H 1.03 0.02 1 499 45 47 LEU HD2 H 0.99 0.02 1 500 45 47 LEU C C 173.3 0.2 1 501 45 47 LEU CA C 52.3 0.2 1 502 45 47 LEU CB C 42.7 0.2 1 503 45 47 LEU CG C 27.7 0.2 1 504 45 47 LEU CD1 C 26.9 0.2 1 505 45 47 LEU CD2 C 23.4 0.2 1 506 45 47 LEU N N 120.7 0.2 1 507 46 48 TYR H H 7.13 0.02 1 508 46 48 TYR HA H 5.03 0.02 1 509 46 48 TYR HB2 H 3.43 0.02 2 510 46 48 TYR HB3 H 3.45 0.02 2 511 46 48 TYR HD1 H 7.14 0.02 3 512 46 48 TYR HE1 H 6.84 0.02 3 513 46 48 TYR C C 173.5 0.2 1 514 46 48 TYR CA C 56.8 0.2 1 515 46 48 TYR CB C 39.6 0.2 1 516 46 48 TYR CD1 C 132.4 0.2 3 517 46 48 TYR CE1 C 117.7 0.2 3 518 46 48 TYR N N 112.4 0.2 1 519 47 49 CYS H H 10.70 0.02 1 520 47 49 CYS HA H 4.84 0.02 1 521 47 49 CYS HB2 H 3.36 0.02 2 522 47 49 CYS HB3 H 3.42 0.02 2 523 47 49 CYS CA C 56.0 0.2 1 524 47 49 CYS CB C 27.9 0.2 1 525 47 49 CYS N N 125.0 0.2 1 526 48 50 PRO HA H 5.30 0.02 1 527 48 50 PRO HD2 H 3.72 0.02 2 528 48 50 PRO HD3 H 4.10 0.02 2 529 48 50 PRO C C 177.5 0.2 1 530 48 50 PRO CA C 63.3 0.2 1 531 48 50 PRO CB C 34.1 0.2 1 532 48 50 PRO CD C 50.2 0.2 1 533 49 51 ILE H H 9.03 0.02 1 534 49 51 ILE HA H 4.64 0.02 1 535 49 51 ILE HB H 1.85 0.02 1 536 49 51 ILE HG12 H 1.35 0.02 2 537 49 51 ILE HG13 H 1.45 0.02 2 538 49 51 ILE HG2 H 1.01 0.02 1 539 49 51 ILE HD1 H 0.88 0.02 1 540 49 51 ILE CA C 59.6 0.2 1 541 49 51 ILE CB C 43.3 0.2 1 542 49 51 ILE CG1 C 26.9 0.2 1 543 49 51 ILE CG2 C 18.8 0.2 1 544 49 51 ILE CD1 C 14.5 0.2 1 545 49 51 ILE N N 118.7 0.2 1 546 50 52 LYS H H 9.16 0.02 1 547 50 52 LYS HA H 4.01 0.02 1 548 50 52 LYS HB2 H 1.78 0.02 1 549 50 52 LYS HB3 H 2.17 0.02 1 550 50 52 LYS HG2 H 1.48 0.02 1 551 50 52 LYS HG3 H 1.49 0.02 1 552 50 52 LYS HD2 H 1.59 0.02 1 553 50 52 LYS HD3 H 1.73 0.02 1 554 50 52 LYS HE2 H 2.89 0.02 1 555 50 52 LYS C C 176.7 0.2 1 556 50 52 LYS CA C 57.0 0.2 1 557 50 52 LYS CB C 31.1 0.2 1 558 50 52 LYS CG C 26.0 0.2 1 559 50 52 LYS CD C 29.8 0.2 1 560 50 52 LYS CE C 42.1 0.2 1 561 50 52 LYS N N 118.0 0.2 1 562 51 53 GLY H H 9.12 0.02 1 563 51 53 GLY HA2 H 3.74 0.02 1 564 51 53 GLY HA3 H 4.01 0.02 1 565 51 53 GLY CA C 46.0 0.2 1 566 51 53 GLY N N 106.8 0.2 1 567 52 54 GLU H H 7.68 0.02 1 568 52 54 GLU CA C 56.6 0.2 1 569 52 54 GLU CB C 32.9 0.2 1 570 52 54 GLU N N 120.4 0.2 1 571 53 55 VAL HA H 3.51 0.02 1 572 53 55 VAL HB H 1.56 0.02 1 573 53 55 VAL HG1 H 0.60 0.02 1 574 53 55 VAL HG2 H 0.01 0.02 1 575 53 55 VAL C C 176.4 0.2 1 576 53 55 VAL CA C 64.5 0.2 1 577 53 55 VAL CB C 31.4 0.2 1 578 53 55 VAL CG1 C 21.3 0.2 1 579 53 55 VAL CG2 C 19.9 0.2 1 580 54 56 ASP H H 8.30 0.02 1 581 54 56 ASP HA H 4.40 0.02 1 582 54 56 ASP HB2 H 2.42 0.02 1 583 54 56 ASP HB3 H 3.03 0.02 1 584 54 56 ASP C C 174.6 0.2 1 585 54 56 ASP CA C 53.2 0.2 1 586 54 56 ASP CB C 40.9 0.2 1 587 54 56 ASP N N 128.8 0.2 1 588 55 57 LEU H H 9.05 0.02 1 589 55 57 LEU HA H 4.29 0.02 1 590 55 57 LEU HB2 H 1.61 0.02 1 591 55 57 LEU HG H 1.36 0.02 1 592 55 57 LEU HD1 H 0.71 0.02 1 593 55 57 LEU HD2 H 0.54 0.02 1 594 55 57 LEU C C 177.4 0.2 1 595 55 57 LEU CA C 53.1 0.2 1 596 55 57 LEU CB C 42.1 0.2 1 597 55 57 LEU CG C 26.3 0.2 1 598 55 57 LEU CD1 C 28.4 0.2 1 599 55 57 LEU CD2 C 23.0 0.2 1 600 55 57 LEU N N 120.7 0.2 1 601 56 58 THR H H 8.65 0.02 1 602 56 58 THR HA H 2.30 0.02 1 603 56 58 THR HB H 3.62 0.02 1 604 56 58 THR HG2 H 1.05 0.02 1 605 56 58 THR C C 176.3 0.2 1 606 56 58 THR CA C 66.8 0.2 1 607 56 58 THR CB C 68.8 0.2 1 608 56 58 THR CG2 C 21.6 0.2 1 609 56 58 THR N N 114.4 0.2 1 610 57 59 PRO HA H 4.34 0.02 1 611 57 59 PRO HB2 H 1.44 0.02 1 612 57 59 PRO HB3 H 2.36 0.02 1 613 57 59 PRO HD2 H 3.01 0.02 2 614 57 59 PRO HD3 H 3.68 0.02 2 615 57 59 PRO C C 177.5 0.2 1 616 57 59 PRO CA C 65.8 0.2 1 617 57 59 PRO CB C 31.7 0.2 1 618 57 59 PRO CG C 28.1 0.2 1 619 57 59 PRO CD C 51.3 0.2 1 620 58 60 LEU H H 8.09 0.02 1 621 58 60 LEU HA H 4.35 0.02 1 622 58 60 LEU HB2 H 1.67 0.02 2 623 58 60 LEU HB3 H 1.97 0.02 2 624 58 60 LEU HG H 1.77 0.02 1 625 58 60 LEU HD1 H 0.86 0.02 1 626 58 60 LEU HD2 H 0.75 0.02 1 627 58 60 LEU C C 177.0 0.2 1 628 58 60 LEU CA C 55.1 0.2 1 629 58 60 LEU CB C 43.7 0.2 1 630 58 60 LEU CG C 27.0 0.2 1 631 58 60 LEU CD1 C 24.6 0.2 1 632 58 60 LEU CD2 C 25.1 0.2 1 633 58 60 LEU N N 115.4 0.2 1 634 59 61 PHE H H 8.18 0.02 1 635 59 61 PHE HA H 4.37 0.02 1 636 59 61 PHE HB2 H 2.91 0.02 2 637 59 61 PHE HB3 H 3.71 0.02 2 638 59 61 PHE HD1 H 6.99 0.02 3 639 59 61 PHE HE1 H 7.10 0.02 3 640 59 61 PHE HZ H 7.35 0.02 1 641 59 61 PHE CA C 60.1 0.2 1 642 59 61 PHE CB C 33.8 0.2 1 643 59 61 PHE CD1 C 129.7 0.2 3 644 59 61 PHE CE1 C 130.9 0.2 3 645 59 61 PHE CZ C 130.6 0.2 1 646 59 61 PHE N N 118.0 0.2 1 647 60 62 PRO HA H 4.27 0.02 1 648 60 62 PRO HB2 H 1.96 0.02 2 649 60 62 PRO HB3 H 2.38 0.02 2 650 60 62 PRO HD2 H 3.75 0.02 2 651 60 62 PRO HD3 H 3.78 0.02 2 652 60 62 PRO C C 179.0 0.2 1 653 60 62 PRO CA C 66.8 0.2 1 654 60 62 PRO CB C 31.0 0.2 1 655 60 62 PRO CG C 28.6 0.2 1 656 60 62 PRO CD C 50.3 0.2 1 657 61 63 GLU H H 7.69 0.02 1 658 61 63 GLU HA H 4.18 0.02 1 659 61 63 GLU HB2 H 2.08 0.02 2 660 61 63 GLU HB3 H 2.24 0.02 2 661 61 63 GLU HG2 H 2.25 0.02 2 662 61 63 GLU HG3 H 2.35 0.02 2 663 61 63 GLU C C 178.6 0.2 1 664 61 63 GLU CA C 59.5 0.2 1 665 61 63 GLU CB C 29.9 0.2 1 666 61 63 GLU CG C 36.3 0.2 1 667 61 63 GLU N N 117.1 0.2 1 668 62 64 VAL H H 7.91 0.02 1 669 62 64 VAL HA H 3.46 0.02 1 670 62 64 VAL HB H 2.07 0.02 1 671 62 64 VAL HG1 H 0.79 0.02 1 672 62 64 VAL HG2 H 1.12 0.02 1 673 62 64 VAL C C 176.9 0.2 1 674 62 64 VAL CA C 66.7 0.2 1 675 62 64 VAL CB C 31.4 0.2 1 676 62 64 VAL CG1 C 23.7 0.2 1 677 62 64 VAL CG2 C 23.8 0.2 1 678 62 64 VAL N N 120.9 0.2 1 679 63 65 LEU H H 8.39 0.02 1 680 63 65 LEU HA H 3.96 0.02 1 681 63 65 LEU HB2 H 1.45 0.02 2 682 63 65 LEU HB3 H 1.87 0.02 2 683 63 65 LEU HG H 1.59 0.02 1 684 63 65 LEU HD1 H 0.70 0.02 1 685 63 65 LEU HD2 H 0.80 0.02 1 686 63 65 LEU C C 178.6 0.2 1 687 63 65 LEU CA C 57.4 0.2 1 688 63 65 LEU CB C 42.6 0.2 1 689 63 65 LEU CG C 27.3 0.2 1 690 63 65 LEU CD1 C 25.5 0.2 1 691 63 65 LEU CD2 C 25.3 0.2 1 692 63 65 LEU N N 117.6 0.2 1 693 64 66 LYS H H 7.57 0.02 1 694 64 66 LYS HA H 4.15 0.02 1 695 64 66 LYS HB2 H 1.95 0.02 2 696 64 66 LYS HB3 H 1.99 0.02 2 697 64 66 LYS C C 177.9 0.2 1 698 64 66 LYS CA C 59.1 0.2 1 699 64 66 LYS CB C 33.5 0.2 1 700 64 66 LYS N N 116.6 0.2 1 701 65 67 GLU H H 7.61 0.02 1 702 65 67 GLU HA H 4.58 0.02 1 703 65 67 GLU HB2 H 1.92 0.02 2 704 65 67 GLU HB3 H 2.21 0.02 2 705 65 67 GLU HG2 H 2.24 0.02 2 706 65 67 GLU HG3 H 2.33 0.02 2 707 65 67 GLU C C 176.3 0.2 1 708 65 67 GLU CA C 56.9 0.2 1 709 65 67 GLU CB C 33.0 0.2 1 710 65 67 GLU CG C 36.4 0.2 1 711 65 67 GLU N N 113.3 0.2 1 712 66 68 LYS H H 8.32 0.02 1 713 66 68 LYS HA H 4.74 0.02 1 714 66 68 LYS HB2 H 1.81 0.02 2 715 66 68 LYS HB3 H 2.18 0.02 2 716 66 68 LYS HD2 H 0.98 0.02 2 717 66 68 LYS HD3 H 1.31 0.02 2 718 66 68 LYS HE2 H 2.06 0.02 2 719 66 68 LYS HE3 H 2.65 0.02 2 720 66 68 LYS C C 173.5 0.2 1 721 66 68 LYS CA C 54.8 0.2 1 722 66 68 LYS CB C 35.2 0.2 1 723 66 68 LYS CD C 30.3 0.2 1 724 66 68 LYS CE C 42.0 0.2 1 725 66 68 LYS N N 122.6 0.2 1 726 67 69 GLU H H 8.05 0.02 1 727 67 69 GLU HA H 4.42 0.02 1 728 67 69 GLU HB2 H 1.93 0.02 2 729 67 69 GLU HB3 H 1.95 0.02 2 730 67 69 GLU C C 173.9 0.2 1 731 67 69 GLU CA C 55.8 0.2 1 732 67 69 GLU CB C 31.7 0.2 1 733 67 69 GLU CG C 35.7 0.2 1 734 67 69 GLU N N 120.2 0.2 1 735 68 70 LEU H H 8.77 0.02 1 736 68 70 LEU HA H 4.56 0.02 1 737 68 70 LEU HB2 H 0.74 0.02 2 738 68 70 LEU HB3 H 1.85 0.02 2 739 68 70 LEU HG H 0.97 0.02 1 740 68 70 LEU HD1 H 0.53 0.02 1 741 68 70 LEU HD2 H 0.19 0.02 1 742 68 70 LEU C C 173.2 0.2 1 743 68 70 LEU CA C 54.1 0.2 1 744 68 70 LEU CB C 42.5 0.2 1 745 68 70 LEU CG C 27.9 0.2 1 746 68 70 LEU CD1 C 22.8 0.2 1 747 68 70 LEU CD2 C 25.3 0.2 1 748 68 70 LEU N N 124.2 0.2 1 749 69 71 ILE H H 8.74 0.02 1 750 69 71 ILE HA H 5.00 0.02 1 751 69 71 ILE HB H 1.37 0.02 1 752 69 71 ILE HG12 H 0.88 0.02 2 753 69 71 ILE HG13 H 1.33 0.02 2 754 69 71 ILE HG2 H 0.66 0.02 1 755 69 71 ILE HD1 H 0.72 0.02 1 756 69 71 ILE C C 174.5 0.2 1 757 69 71 ILE CA C 58.5 0.2 1 758 69 71 ILE CB C 40.5 0.2 1 759 69 71 ILE CG1 C 28.4 0.2 1 760 69 71 ILE CG2 C 21.4 0.2 1 761 69 71 ILE CD1 C 14.8 0.2 1 762 69 71 ILE N N 128.8 0.2 1 763 70 72 LEU H H 9.15 0.02 1 764 70 72 LEU HA H 5.28 0.02 1 765 70 72 LEU HB2 H 1.28 0.02 2 766 70 72 LEU HB3 H 1.65 0.02 2 767 70 72 LEU HG H 1.19 0.02 1 768 70 72 LEU HD1 H 0.58 0.02 1 769 70 72 LEU HD2 H 0.74 0.02 1 770 70 72 LEU C C 174.4 0.2 1 771 70 72 LEU CA C 50.8 0.2 1 772 70 72 LEU CB C 46.4 0.2 1 773 70 72 LEU CG C 27.6 0.2 1 774 70 72 LEU CD1 C 27.1 0.2 1 775 70 72 LEU CD2 C 23.3 0.2 1 776 70 72 LEU N N 125.3 0.2 1 777 71 73 PRO HA H 5.24 0.02 1 778 71 73 PRO HB2 H 1.94 0.02 2 779 71 73 PRO HB3 H 1.99 0.02 2 780 71 73 PRO HG2 H 2.06 0.02 2 781 71 73 PRO HG3 H 2.45 0.02 2 782 71 73 PRO HD2 H 4.02 0.02 2 783 71 73 PRO HD3 H 4.16 0.02 2 784 71 73 PRO C C 176.2 0.2 1 785 71 73 PRO CA C 61.8 0.2 1 786 71 73 PRO CB C 34.7 0.2 1 787 71 73 PRO CG C 27.3 0.2 1 788 71 73 PRO CD C 52.0 0.2 1 789 72 74 LYS H H 9.10 0.02 1 790 72 74 LYS HA H 4.56 0.02 1 791 72 74 LYS HB2 H 1.45 0.02 2 792 72 74 LYS HB3 H 1.83 0.02 2 793 72 74 LYS C C 175.1 0.2 1 794 72 74 LYS CA C 55.6 0.2 1 795 72 74 LYS CB C 38.3 0.2 1 796 72 74 LYS N N 121.3 0.2 1 797 73 75 VAL H H 9.01 0.02 1 798 73 75 VAL HA H 3.92 0.02 1 799 73 75 VAL HB H 1.83 0.02 1 800 73 75 VAL HG1 H 0.49 0.02 1 801 73 75 VAL HG2 H 0.46 0.02 1 802 73 75 VAL C C 175.9 0.2 1 803 73 75 VAL CA C 64.3 0.2 1 804 73 75 VAL CB C 30.9 0.2 1 805 73 75 VAL CG1 C 20.9 0.2 1 806 73 75 VAL CG2 C 21.5 0.2 1 807 73 75 VAL N N 128.5 0.2 1 808 74 76 GLU H H 8.82 0.02 1 809 74 76 GLU HA H 4.57 0.02 1 810 74 76 GLU HB2 H 1.87 0.02 2 811 74 76 GLU HB3 H 1.93 0.02 2 812 74 76 GLU HG2 H 2.14 0.02 2 813 74 76 GLU HG3 H 2.22 0.02 2 814 74 76 GLU C C 175.9 0.2 1 815 74 76 GLU CA C 55.3 0.2 1 816 74 76 GLU CB C 31.3 0.2 1 817 74 76 GLU CG C 36.6 0.2 1 818 74 76 GLU N N 129.5 0.2 1 819 75 77 GLY H H 8.92 0.02 1 820 75 77 GLY HA2 H 3.68 0.02 2 821 75 77 GLY HA3 H 3.94 0.02 2 822 75 77 GLY CA C 47.3 0.2 1 823 75 77 GLY N N 115.2 0.2 1 824 76 78 ASN HA H 4.79 0.02 1 825 76 78 ASN HB2 H 2.72 0.02 2 826 76 78 ASN HB3 H 3.04 0.02 2 827 76 78 ASN HD21 H 6.90 0.02 2 828 76 78 ASN HD22 H 7.66 0.02 2 829 76 78 ASN C C 173.2 0.2 1 830 76 78 ASN CA C 53.2 0.2 1 831 76 78 ASN CB C 39.9 0.2 1 832 76 78 ASN ND2 N 113.4 0.2 1 833 77 79 GLU H H 7.52 0.02 1 834 77 79 GLU HA H 5.13 0.02 1 835 77 79 GLU HB2 H 1.70 0.02 2 836 77 79 GLU HB3 H 2.10 0.02 2 837 77 79 GLU HG2 H 2.23 0.02 2 838 77 79 GLU HG3 H 2.31 0.02 2 839 77 79 GLU CA C 53.9 0.2 1 840 77 79 GLU CB C 33.7 0.2 1 841 77 79 GLU N N 115.2 0.2 1 842 78 80 ILE HA H 4.30 0.02 1 843 78 80 ILE HB H 1.36 0.02 1 844 78 80 ILE HG12 H 0.68 0.02 2 845 78 80 ILE HG13 H 1.33 0.02 2 846 78 80 ILE HG2 H 0.62 0.02 1 847 78 80 ILE HD1 H 0.06 0.02 1 848 78 80 ILE C C 176.0 0.2 1 849 78 80 ILE CA C 61.6 0.2 1 850 78 80 ILE CB C 39.9 0.2 1 851 78 80 ILE CG1 C 28.9 0.2 1 852 78 80 ILE CG2 C 19.7 0.2 1 853 78 80 ILE CD1 C 12.9 0.2 1 854 79 81 SER H H 9.06 0.02 1 855 79 81 SER HA H 4.57 0.02 1 856 79 81 SER HB2 H 3.56 0.02 2 857 79 81 SER HB3 H 3.78 0.02 2 858 79 81 SER C C 171.7 0.2 1 859 79 81 SER CA C 56.8 0.2 1 860 79 81 SER CB C 66.6 0.2 1 861 79 81 SER N N 123.9 0.2 1 862 80 82 LEU H H 8.99 0.02 1 863 80 82 LEU HA H 4.73 0.02 1 864 80 82 LEU HB2 H 0.84 0.02 2 865 80 82 LEU HB3 H 1.81 0.02 2 866 80 82 LEU HG H 1.45 0.02 1 867 80 82 LEU HD1 H 0.66 0.02 1 868 80 82 LEU HD2 H 0.57 0.02 1 869 80 82 LEU C C 174.9 0.2 1 870 80 82 LEU CA C 53.2 0.2 1 871 80 82 LEU CB C 42.9 0.2 1 872 80 82 LEU CG C 25.9 0.2 1 873 80 82 LEU CD1 C 26.7 0.2 1 874 80 82 LEU CD2 C 21.6 0.2 1 875 80 82 LEU N N 122.8 0.2 1 876 81 83 TYR H H 8.61 0.02 1 877 81 83 TYR HA H 5.00 0.02 1 878 81 83 TYR HB2 H 2.42 0.02 2 879 81 83 TYR HB3 H 2.47 0.02 2 880 81 83 TYR HD1 H 6.60 0.02 3 881 81 83 TYR HE1 H 6.61 0.02 3 882 81 83 TYR C C 174.7 0.2 1 883 81 83 TYR CA C 56.8 0.2 1 884 81 83 TYR CB C 42.8 0.2 1 885 81 83 TYR CD1 C 131.9 0.2 3 886 81 83 TYR CE1 C 118.0 0.2 3 887 81 83 TYR N N 119.1 0.2 1 888 82 84 ARG H H 9.41 0.02 1 889 82 84 ARG HA H 4.80 0.02 1 890 82 84 ARG HB2 H 1.53 0.02 2 891 82 84 ARG HB3 H 1.80 0.02 2 892 82 84 ARG C C 176.0 0.2 1 893 82 84 ARG CA C 55.9 0.2 1 894 82 84 ARG CB C 30.9 0.2 1 895 82 84 ARG N N 123.9 0.2 1 896 83 85 VAL H H 8.52 0.02 1 897 83 85 VAL HA H 4.67 0.02 1 898 83 85 VAL HB H 1.96 0.02 1 899 83 85 VAL HG1 H 0.84 0.02 1 900 83 85 VAL HG2 H 0.67 0.02 1 901 83 85 VAL C C 174.8 0.2 1 902 83 85 VAL CA C 59.7 0.2 1 903 83 85 VAL CB C 34.3 0.2 1 904 83 85 VAL CG1 C 21.9 0.2 1 905 83 85 VAL CG2 C 19.3 0.2 1 906 83 85 VAL N N 121.7 0.2 1 907 84 86 HIS H H 8.49 0.02 1 908 84 86 HIS HA H 4.65 0.02 1 909 84 86 HIS HB2 H 3.04 0.02 2 910 84 86 HIS HB3 H 3.18 0.02 2 911 84 86 HIS C C 174.9 0.2 1 912 84 86 HIS CA C 57.1 0.2 1 913 84 86 HIS CB C 31.8 0.2 1 914 84 86 HIS N N 119.2 0.2 1 915 85 87 SER H H 7.56 0.02 1 916 85 87 SER HA H 4.91 0.02 1 917 85 87 SER HB2 H 3.80 0.02 2 918 85 87 SER HB3 H 4.18 0.02 2 919 85 87 SER CA C 55.8 0.2 1 920 85 87 SER CB C 64.6 0.2 1 921 85 87 SER N N 113.9 0.2 1 922 86 88 PRO HA H 4.26 0.02 1 923 86 88 PRO HB2 H 2.10 0.02 2 924 86 88 PRO HB3 H 2.39 0.02 2 925 86 88 PRO HG2 H 1.84 0.02 2 926 86 88 PRO HG3 H 2.18 0.02 2 927 86 88 PRO HD2 H 3.74 0.02 2 928 86 88 PRO HD3 H 3.92 0.02 2 929 86 88 PRO C C 176.6 0.2 1 930 86 88 PRO CA C 64.4 0.2 1 931 86 88 PRO CB C 31.7 0.2 1 932 86 88 PRO CG C 27.8 0.2 1 933 86 88 PRO CD C 51.1 0.2 1 934 87 89 ALA H H 7.93 0.02 1 935 87 89 ALA HA H 4.35 0.02 1 936 87 89 ALA HB H 1.40 0.02 1 937 87 89 ALA C C 177.9 0.2 1 938 87 89 ALA CA C 53.4 0.2 1 939 87 89 ALA CB C 18.3 0.2 1 940 87 89 ALA N N 119.7 0.2 1 941 88 90 CYS H H 7.52 0.02 1 942 88 90 CYS HA H 4.40 0.02 1 943 88 90 CYS HB2 H 2.95 0.02 2 944 88 90 CYS HB3 H 3.42 0.02 2 945 88 90 CYS C C 173.2 0.2 1 946 88 90 CYS CA C 59.5 0.2 1 947 88 90 CYS CB C 28.3 0.2 1 948 88 90 CYS N N 114.6 0.2 1 949 89 91 LEU H H 7.44 0.02 1 950 89 91 LEU HA H 4.80 0.02 1 951 89 91 LEU HB2 H 1.35 0.02 2 952 89 91 LEU HB3 H 1.95 0.02 2 953 89 91 LEU HG H 1.59 0.02 1 954 89 91 LEU HD1 H 0.94 0.02 1 955 89 91 LEU HD2 H 0.65 0.02 1 956 89 91 LEU C C 176.2 0.2 1 957 89 91 LEU CA C 54.2 0.2 1 958 89 91 LEU CB C 43.5 0.2 1 959 89 91 LEU CG C 27.4 0.2 1 960 89 91 LEU CD1 C 25.3 0.2 1 961 89 91 LEU CD2 C 23.5 0.2 1 962 89 91 LEU N N 120.0 0.2 1 963 90 92 GLY H H 8.75 0.02 1 964 90 92 GLY HA2 H 3.69 0.02 2 965 90 92 GLY HA3 H 4.41 0.02 2 966 90 92 GLY C C 172.2 0.2 1 967 90 92 GLY CA C 44.4 0.2 1 968 90 92 GLY N N 109.9 0.2 1 969 91 93 VAL H H 8.48 0.02 1 970 91 93 VAL HA H 4.02 0.02 1 971 91 93 VAL HB H 1.97 0.02 1 972 91 93 VAL HG1 H 0.92 0.02 1 973 91 93 VAL HG2 H 0.96 0.02 1 974 91 93 VAL C C 176.8 0.2 1 975 91 93 VAL CA C 64.0 0.2 1 976 91 93 VAL CB C 32.1 0.2 1 977 91 93 VAL CG1 C 21.3 0.2 1 978 91 93 VAL CG2 C 21.7 0.2 1 979 91 93 VAL N N 121.4 0.2 1 980 92 94 GLY H H 8.48 0.02 1 981 92 94 GLY HA2 H 3.85 0.02 2 982 92 94 GLY HA3 H 4.42 0.02 2 983 92 94 GLY C C 174.6 0.2 1 984 92 94 GLY CA C 44.4 0.2 1 985 92 94 GLY N N 117.2 0.2 1 986 93 95 ALA H H 8.49 0.02 1 987 93 95 ALA HA H 3.95 0.02 1 988 93 95 ALA HB H 1.13 0.02 1 989 93 95 ALA C C 178.4 0.2 1 990 93 95 ALA CA C 53.8 0.2 1 991 93 95 ALA CB C 18.5 0.2 1 992 93 95 ALA N N 125.6 0.2 1 993 94 96 PHE H H 8.42 0.02 1 994 94 96 PHE HA H 4.43 0.02 1 995 94 96 PHE HB2 H 3.13 0.02 2 996 94 96 PHE HB3 H 3.39 0.02 2 997 94 96 PHE HD1 H 7.24 0.02 3 998 94 96 PHE C C 175.8 0.2 1 999 94 96 PHE CA C 58.1 0.2 1 1000 94 96 PHE CB C 37.8 0.2 1 1001 94 96 PHE CD1 C 131.8 0.2 3 1002 94 96 PHE N N 115.0 0.2 1 1003 95 97 GLY H H 8.09 0.02 1 1004 95 97 GLY HA2 H 3.53 0.02 2 1005 95 97 GLY HA3 H 4.18 0.02 2 1006 95 97 GLY C C 173.6 0.2 1 1007 95 97 GLY CA C 45.9 0.2 1 1008 95 97 GLY N N 106.4 0.2 1 1009 96 98 ILE H H 7.50 0.02 1 1010 96 98 ILE HA H 4.11 0.02 1 1011 96 98 ILE HB H 1.90 0.02 1 1012 96 98 ILE HG12 H 1.24 0.02 2 1013 96 98 ILE HG13 H 1.60 0.02 2 1014 96 98 ILE HG2 H 1.05 0.02 1 1015 96 98 ILE HD1 H 1.04 0.02 1 1016 96 98 ILE C C 175.8 0.2 1 1017 96 98 ILE CA C 61.1 0.2 1 1018 96 98 ILE CB C 39.9 0.2 1 1019 96 98 ILE CG1 C 28.6 0.2 1 1020 96 98 ILE CG2 C 17.6 0.2 1 1021 96 98 ILE CD1 C 14.0 0.2 1 1022 96 98 ILE N N 120.6 0.2 1 1023 97 99 MET H H 8.20 0.02 1 1024 97 99 MET HA H 4.86 0.02 1 1025 97 99 MET HG2 H 2.57 0.02 2 1026 97 99 MET HG3 H 2.66 0.02 2 1027 97 99 MET HE H 2.05 0.02 1 1028 97 99 MET C C 174.9 0.2 1 1029 97 99 MET CA C 55.6 0.2 1 1030 97 99 MET CB C 33.0 0.2 1 1031 97 99 MET CG C 32.4 0.2 1 1032 97 99 MET CE C 16.9 0.2 1 1033 97 99 MET N N 125.7 0.2 1 1034 98 100 GLU H H 9.00 0.02 1 1035 98 100 GLU HA H 4.86 0.02 1 1036 98 100 GLU HB2 H 1.89 0.02 2 1037 98 100 GLU HB3 H 1.91 0.02 2 1038 98 100 GLU HG2 H 2.29 0.02 2 1039 98 100 GLU HG3 H 2.30 0.02 2 1040 98 100 GLU CA C 53.2 0.2 1 1041 98 100 GLU N N 120.9 0.2 1 1042 99 101 PRO HA H 4.56 0.02 1 1043 99 101 PRO HB2 H 1.50 0.02 2 1044 99 101 PRO HB3 H 1.87 0.02 2 1045 99 101 PRO HD2 H 3.45 0.02 2 1046 99 101 PRO HD3 H 3.58 0.02 2 1047 99 101 PRO C C 175.9 0.2 1 1048 99 101 PRO CA C 62.7 0.2 1 1049 99 101 PRO CB C 31.9 0.2 1 1050 99 101 PRO CD C 50.7 0.2 1 1051 100 102 VAL H H 8.66 0.02 1 1052 100 102 VAL HA H 3.98 0.02 1 1053 100 102 VAL HB H 2.09 0.02 1 1054 100 102 VAL HG1 H 0.86 0.02 1 1055 100 102 VAL HG2 H 0.80 0.02 1 1056 100 102 VAL C C 175.4 0.2 1 1057 100 102 VAL CA C 62.5 0.2 1 1058 100 102 VAL CB C 32.5 0.2 1 1059 100 102 VAL CG1 C 21.2 0.2 1 1060 100 102 VAL CG2 C 19.6 0.2 1 1061 100 102 VAL N N 121.0 0.2 1 1062 101 103 GLU H H 7.63 0.02 1 1063 101 103 GLU HA H 4.35 0.02 1 1064 101 103 GLU HB2 H 1.94 0.02 2 1065 101 103 GLU HB3 H 2.04 0.02 2 1066 101 103 GLU HG2 H 2.16 0.02 2 1067 101 103 GLU HG3 H 2.19 0.02 2 1068 101 103 GLU C C 174.3 0.2 1 1069 101 103 GLU CA C 55.3 0.2 1 1070 101 103 GLU CB C 32.2 0.2 1 1071 101 103 GLU CG C 35.8 0.2 1 1072 101 103 GLU N N 119.3 0.2 1 1073 102 104 GLY H H 8.05 0.02 1 1074 102 104 GLY HA2 H 4.18 0.02 2 1075 102 104 GLY HA3 H 4.38 0.02 2 1076 102 104 GLY C C 172.4 0.2 1 1077 102 104 GLY CA C 45.3 0.2 1 1078 102 104 GLY N N 107.6 0.2 1 1079 103 105 GLU H H 8.45 0.02 1 1080 103 105 GLU HA H 4.75 0.02 1 1081 103 105 GLU HG2 H 2.30 0.02 2 1082 103 105 GLU HG3 H 2.32 0.02 2 1083 103 105 GLU C C 175.4 0.2 1 1084 103 105 GLU CA C 55.1 0.2 1 1085 103 105 GLU CB C 31.9 0.2 1 1086 103 105 GLU CG C 36.1 0.2 1 1087 103 105 GLU N N 119.6 0.2 1 1088 104 106 ARG H H 8.83 0.02 1 1089 104 106 ARG HA H 3.93 0.02 1 1090 104 106 ARG HB2 H 1.53 0.02 2 1091 104 106 ARG HB3 H 1.60 0.02 2 1092 104 106 ARG HG2 H 1.26 0.02 2 1093 104 106 ARG HG3 H 1.28 0.02 2 1094 104 106 ARG C C 176.4 0.2 1 1095 104 106 ARG CA C 57.1 0.2 1 1096 104 106 ARG CB C 30.6 0.2 1 1097 104 106 ARG CG C 27.8 0.2 1 1098 104 106 ARG CD C 43.1 0.2 1 1099 104 106 ARG N N 126.6 0.2 1 1100 105 107 VAL H H 8.23 0.02 1 1101 105 107 VAL HA H 4.25 0.02 1 1102 105 107 VAL HB H 1.60 0.02 1 1103 105 107 VAL HG1 H 0.80 0.02 1 1104 105 107 VAL HG2 H 0.74 0.02 1 1105 105 107 VAL C C 174.5 0.2 1 1106 105 107 VAL CA C 60.0 0.2 1 1107 105 107 VAL CB C 35.0 0.2 1 1108 105 107 VAL CG1 C 20.9 0.2 1 1109 105 107 VAL CG2 C 21.6 0.2 1 1110 105 107 VAL N N 124.1 0.2 1 1111 106 108 ASN H H 9.04 0.02 1 1112 106 108 ASN HA H 4.91 0.02 1 1113 106 108 ASN HB2 H 2.67 0.02 2 1114 106 108 ASN HB3 H 3.04 0.02 2 1115 106 108 ASN HD21 H 7.01 0.02 2 1116 106 108 ASN HD22 H 7.79 0.02 2 1117 106 108 ASN CA C 51.2 0.2 1 1118 106 108 ASN CB C 37.6 0.2 1 1119 106 108 ASN N N 124.9 0.2 1 1120 106 108 ASN ND2 N 114.8 0.2 1 1121 107 109 PRO HA H 3.95 0.02 1 1122 107 109 PRO HB2 H 1.74 0.02 2 1123 107 109 PRO HB3 H 1.98 0.02 2 1124 107 109 PRO HG2 H 1.89 0.02 2 1125 107 109 PRO HG3 H 2.04 0.02 2 1126 107 109 PRO HD2 H 3.93 0.02 2 1127 107 109 PRO HD3 H 3.96 0.02 2 1128 107 109 PRO C C 177.3 0.2 1 1129 107 109 PRO CA C 65.4 0.2 1 1130 107 109 PRO CB C 31.8 0.2 1 1131 107 109 PRO CG C 27.9 0.2 1 1132 107 109 PRO CD C 50.6 0.2 1 1133 108 110 GLU H H 9.51 0.02 1 1134 108 110 GLU HA H 4.15 0.02 1 1135 108 110 GLU HB2 H 1.92 0.02 2 1136 108 110 GLU HB3 H 2.06 0.02 2 1137 108 110 GLU HG2 H 2.47 0.02 2 1138 108 110 GLU HG3 H 2.61 0.02 2 1139 108 110 GLU C C 175.8 0.2 1 1140 108 110 GLU CA C 60.0 0.2 1 1141 108 110 GLU CB C 28.6 0.2 1 1142 108 110 GLU CG C 36.6 0.2 1 1143 108 110 GLU N N 116.9 0.2 1 1144 109 111 ASP H H 7.91 0.02 1 1145 109 111 ASP HA H 4.74 0.02 1 1146 109 111 ASP HB2 H 2.67 0.02 2 1147 109 111 ASP HB3 H 2.70 0.02 2 1148 109 111 ASP C C 175.9 0.2 1 1149 109 111 ASP CA C 54.7 0.2 1 1150 109 111 ASP CB C 42.0 0.2 1 1151 109 111 ASP N N 117.0 0.2 1 1152 110 112 VAL H H 7.06 0.02 1 1153 110 112 VAL HA H 3.58 0.02 1 1154 110 112 VAL HB H 2.18 0.02 1 1155 110 112 VAL HG1 H 0.86 0.02 2 1156 110 112 VAL HG2 H 0.88 0.02 2 1157 110 112 VAL C C 175.7 0.2 1 1158 110 112 VAL CA C 64.1 0.2 1 1159 110 112 VAL CB C 32.5 0.2 1 1160 110 112 VAL CG1 C 23.0 0.2 2 1161 110 112 VAL CG2 C 23.2 0.2 2 1162 110 112 VAL N N 117.3 0.2 1 1163 111 113 ASP H H 8.53 0.02 1 1164 111 113 ASP HA H 4.78 0.02 1 1165 111 113 ASP HB2 H 2.82 0.02 2 1166 111 113 ASP HB3 H 3.01 0.02 2 1167 111 113 ASP C C 172.7 0.2 1 1168 111 113 ASP CA C 56.7 0.2 1 1169 111 113 ASP CB C 42.9 0.2 1 1170 111 113 ASP N N 125.0 0.2 1 1171 112 114 PHE H H 7.59 0.02 1 1172 112 114 PHE HA H 4.96 0.02 1 1173 112 114 PHE HB2 H 3.07 0.02 2 1174 112 114 PHE HB3 H 3.11 0.02 2 1175 112 114 PHE HD1 H 7.04 0.02 3 1176 112 114 PHE HE1 H 7.07 0.02 3 1177 112 114 PHE C C 176.3 0.2 1 1178 112 114 PHE CA C 57.0 0.2 1 1179 112 114 PHE CB C 42.8 0.2 1 1180 112 114 PHE CD1 C 132.0 0.2 3 1181 112 114 PHE CE1 C 130.2 0.2 3 1182 112 114 PHE N N 124.2 0.2 1 1183 113 115 ILE H H 9.08 0.02 1 1184 113 115 ILE HA H 5.87 0.02 1 1185 113 115 ILE HB H 1.57 0.02 1 1186 113 115 ILE HG12 H 0.85 0.02 2 1187 113 115 ILE HG13 H 1.88 0.02 2 1188 113 115 ILE HG2 H 0.92 0.02 1 1189 113 115 ILE HD1 H 0.93 0.02 1 1190 113 115 ILE C C 171.4 0.2 1 1191 113 115 ILE CA C 58.1 0.2 1 1192 113 115 ILE CB C 42.9 0.2 1 1193 113 115 ILE CG1 C 29.1 0.2 1 1194 113 115 ILE CG2 C 16.8 0.2 1 1195 113 115 ILE CD1 C 14.5 0.2 1 1196 113 115 ILE N N 127.6 0.2 1 1197 114 116 ALA H H 8.79 0.02 1 1198 114 116 ALA HA H 5.18 0.02 1 1199 114 116 ALA HB H 1.40 0.02 1 1200 114 116 ALA C C 174.7 0.2 1 1201 114 116 ALA CA C 49.9 0.2 1 1202 114 116 ALA CB C 20.7 0.2 1 1203 114 116 ALA N N 129.4 0.2 1 1204 115 117 VAL H H 9.37 0.02 1 1205 115 117 VAL HA H 4.14 0.02 1 1206 115 117 VAL HB H 1.77 0.02 1 1207 115 117 VAL HG1 H 0.60 0.02 1 1208 115 117 VAL HG2 H 0.77 0.02 1 1209 115 117 VAL CA C 58.4 0.2 1 1210 115 117 VAL CB C 34.4 0.2 1 1211 115 117 VAL CG1 C 20.7 0.2 1 1212 115 117 VAL CG2 C 22.2 0.2 1 1213 115 117 VAL N N 125.2 0.2 1 1214 118 120 VAL HA H 3.47 0.02 1 1215 118 120 VAL HB H 1.56 0.02 1 1216 118 120 VAL HG1 H 0.90 0.02 1 1217 118 120 VAL HG2 H 0.39 0.02 1 1218 118 120 VAL CA C 65.2 0.2 1 1219 118 120 VAL CB C 31.6 0.2 1 1220 118 120 VAL CG1 C 23.3 0.2 1 1221 118 120 VAL CG2 C 22.9 0.2 1 1222 119 121 ALA HA H 5.27 0.02 1 1223 119 121 ALA HB H 1.47 0.02 1 1224 119 121 ALA C C 173.7 0.2 1 1225 119 121 ALA CA C 51.3 0.2 1 1226 119 121 ALA CB C 23.3 0.2 1 1227 120 122 PHE H H 8.78 0.02 1 1228 120 122 PHE HA H 5.90 0.02 1 1229 120 122 PHE HB2 H 2.24 0.02 2 1230 120 122 PHE HB3 H 3.16 0.02 2 1231 120 122 PHE HD1 H 6.71 0.02 3 1232 120 122 PHE HE1 H 6.83 0.02 3 1233 120 122 PHE C C 175.1 0.2 1 1234 120 122 PHE CA C 56.6 0.2 1 1235 120 122 PHE CB C 46.4 0.2 1 1236 120 122 PHE CD1 C 131.9 0.2 3 1237 120 122 PHE CE1 C 130.6 0.2 3 1238 120 122 PHE N N 116.9 0.2 1 1239 121 123 ASP H H 8.60 0.02 1 1240 121 123 ASP HA H 6.17 0.02 1 1241 121 123 ASP HB2 H 2.42 0.02 2 1242 121 123 ASP HB3 H 3.02 0.02 2 1243 121 123 ASP C C 178.4 0.2 1 1244 121 123 ASP CA C 51.0 0.2 1 1245 121 123 ASP CB C 43.4 0.2 1 1246 121 123 ASP N N 118.1 0.2 1 1247 122 124 LEU H H 6.85 0.02 1 1248 122 124 LEU HA H 3.90 0.02 1 1249 122 124 LEU HB2 H 1.58 0.02 2 1250 122 124 LEU HB3 H 1.86 0.02 2 1251 122 124 LEU HG H 1.82 0.02 1 1252 122 124 LEU HD1 H 0.90 0.02 1 1253 122 124 LEU HD2 H 0.62 0.02 1 1254 122 124 LEU C C 177.8 0.2 1 1255 122 124 LEU CA C 56.2 0.2 1 1256 122 124 LEU CB C 42.0 0.2 1 1257 122 124 LEU CG C 26.2 0.2 1 1258 122 124 LEU CD1 C 25.6 0.2 1 1259 122 124 LEU CD2 C 21.6 0.2 1 1260 122 124 LEU N N 113.1 0.2 1 1261 123 125 GLU H H 8.38 0.02 1 1262 123 125 GLU HA H 4.48 0.02 1 1263 123 125 GLU HB2 H 2.54 0.02 2 1264 123 125 GLU HB3 H 2.56 0.02 2 1265 123 125 GLU HG2 H 2.27 0.02 2 1266 123 125 GLU HG3 H 2.37 0.02 2 1267 123 125 GLU C C 175.3 0.2 1 1268 123 125 GLU CA C 56.4 0.2 1 1269 123 125 GLU CB C 31.3 0.2 1 1270 123 125 GLU CG C 38.2 0.2 1 1271 123 125 GLU N N 116.8 0.2 1 1272 124 126 GLY H H 8.53 0.02 1 1273 124 126 GLY HA2 H 3.26 0.02 2 1274 124 126 GLY HA3 H 4.11 0.02 2 1275 124 126 GLY C C 174.2 0.2 1 1276 124 126 GLY CA C 45.9 0.2 1 1277 124 126 GLY N N 107.6 0.2 1 1278 125 127 TYR H H 8.60 0.02 1 1279 125 127 TYR HA H 4.00 0.02 1 1280 125 127 TYR HB2 H 2.90 0.02 2 1281 125 127 TYR HB3 H 3.04 0.02 2 1282 125 127 TYR HD1 H 7.29 0.02 3 1283 125 127 TYR HE1 H 6.58 0.02 3 1284 125 127 TYR C C 173.7 0.2 1 1285 125 127 TYR CA C 61.6 0.2 1 1286 125 127 TYR CB C 36.3 0.2 1 1287 125 127 TYR CD1 C 133.2 0.2 3 1288 125 127 TYR CE1 C 117.2 0.2 3 1289 125 127 TYR N N 122.4 0.2 1 1290 126 128 ARG H H 8.99 0.02 1 1291 126 128 ARG CA C 54.2 0.2 1 1292 126 128 ARG N N 119.5 0.2 1 1293 127 129 LEU HA H 4.51 0.02 1 1294 127 129 LEU HG H 1.59 0.02 1 1295 127 129 LEU HD1 H 0.89 0.02 1 1296 127 129 LEU HD2 H 0.71 0.02 1 1297 127 129 LEU CA C 53.3 0.2 1 1298 127 129 LEU CG C 27.1 0.2 1 1299 127 129 LEU CD1 C 24.4 0.2 1 1300 127 129 LEU CD2 C 25.9 0.2 1 1301 129 131 PHE HD1 H 7.40 0.02 3 1302 129 131 PHE HE1 H 6.97 0.02 3 1303 129 131 PHE CD1 C 131.9 0.2 3 1304 129 131 PHE CE1 C 129.3 0.2 3 1305 133 135 TYR HD1 H 7.17 0.02 3 1306 133 135 TYR CD1 C 132.3 0.2 3 1307 134 136 TYR HA H 4.18 0.02 1 1308 134 136 TYR HB2 H 2.67 0.02 2 1309 134 136 TYR HB3 H 3.16 0.02 2 1310 134 136 TYR HD1 H 7.05 0.02 3 1311 134 136 TYR HE1 H 6.68 0.02 3 1312 134 136 TYR CA C 63.9 0.2 1 1313 134 136 TYR CB C 37.5 0.2 1 1314 134 136 TYR CD1 C 132.1 0.2 3 1315 134 136 TYR CE1 C 118.5 0.2 3 1316 136 138 ARG C C 178.9 0.2 1 1317 136 138 ARG CA C 60.0 0.2 1 1318 137 139 LEU H H 7.51 0.02 1 1319 137 139 LEU HA H 4.25 0.02 1 1320 137 139 LEU HB2 H 1.69 0.02 2 1321 137 139 LEU HB3 H 1.83 0.02 2 1322 137 139 LEU HG H 1.44 0.02 1 1323 137 139 LEU HD1 H 0.85 0.02 1 1324 137 139 LEU HD2 H 0.73 0.02 1 1325 137 139 LEU C C 179.2 0.2 1 1326 137 139 LEU CA C 58.0 0.2 1 1327 137 139 LEU CB C 42.9 0.2 1 1328 137 139 LEU CG C 27.4 0.2 1 1329 137 139 LEU CD1 C 23.4 0.2 1 1330 137 139 LEU CD2 C 26.4 0.2 1 1331 137 139 LEU N N 120.5 0.2 1 1332 138 140 LEU H H 8.87 0.02 1 1333 138 140 LEU HA H 3.88 0.02 1 1334 138 140 LEU HB2 H 1.42 0.02 2 1335 138 140 LEU HB3 H 2.02 0.02 2 1336 138 140 LEU HG H 2.30 0.02 1 1337 138 140 LEU HD1 H 0.94 0.02 1 1338 138 140 LEU HD2 H 0.86 0.02 1 1339 138 140 LEU C C 178.2 0.2 1 1340 138 140 LEU CA C 57.8 0.2 1 1341 138 140 LEU CB C 41.1 0.2 1 1342 138 140 LEU CG C 27.3 0.2 1 1343 138 140 LEU CD1 C 25.3 0.2 1 1344 138 140 LEU CD2 C 22.6 0.2 1 1345 138 140 LEU N N 115.0 0.2 1 1346 139 141 LYS H H 7.16 0.02 1 1347 139 141 LYS HA H 4.10 0.02 1 1348 139 141 LYS HG2 H 1.77 0.02 2 1349 139 141 LYS HG3 H 1.78 0.02 2 1350 139 141 LYS HD2 H 1.55 0.02 2 1351 139 141 LYS HD3 H 1.76 0.02 2 1352 139 141 LYS HE2 H 3.04 0.02 2 1353 139 141 LYS HE3 H 3.06 0.02 2 1354 139 141 LYS C C 177.3 0.2 1 1355 139 141 LYS CA C 58.7 0.2 1 1356 139 141 LYS CB C 33.3 0.2 1 1357 139 141 LYS CG C 25.5 0.2 1 1358 139 141 LYS CD C 29.3 0.2 1 1359 139 141 LYS CE C 42.0 0.2 1 1360 139 141 LYS N N 116.5 0.2 1 1361 140 142 ARG H H 7.74 0.02 1 1362 140 142 ARG HA H 4.39 0.02 1 1363 140 142 ARG HB2 H 1.65 0.02 2 1364 140 142 ARG HB3 H 2.21 0.02 2 1365 140 142 ARG C C 175.4 0.2 1 1366 140 142 ARG CA C 56.0 0.2 1 1367 140 142 ARG CB C 32.6 0.2 1 1368 140 142 ARG N N 115.4 0.2 1 1369 141 143 VAL H H 7.05 0.02 1 1370 141 143 VAL HA H 3.87 0.02 1 1371 141 143 VAL HB H 2.00 0.02 1 1372 141 143 VAL HG1 H 0.80 0.02 1 1373 141 143 VAL HG2 H 0.96 0.02 1 1374 141 143 VAL C C 175.6 0.2 1 1375 141 143 VAL CA C 62.6 0.2 1 1376 141 143 VAL CB C 33.0 0.2 1 1377 141 143 VAL CG1 C 20.8 0.2 1 1378 141 143 VAL CG2 C 21.9 0.2 1 1379 141 143 VAL N N 118.3 0.2 1 1380 142 144 LYS H H 8.11 0.02 1 1381 142 144 LYS HA H 4.47 0.02 1 1382 142 144 LYS C C 177.3 0.2 1 1383 142 144 LYS CA C 56.2 0.2 1 1384 142 144 LYS CB C 33.2 0.2 1 1385 142 144 LYS N N 127.1 0.2 1 1386 143 145 GLY H H 7.26 0.02 1 1387 143 145 GLY HA2 H 3.56 0.02 2 1388 143 145 GLY HA3 H 4.29 0.02 2 1389 143 145 GLY C C 170.9 0.2 1 1390 143 145 GLY CA C 44.1 0.2 1 1391 143 145 GLY N N 106.8 0.2 1 1392 144 146 LEU H H 7.24 0.02 1 1393 144 146 LEU HA H 4.04 0.02 1 1394 144 146 LEU HB2 H 1.41 0.02 2 1395 144 146 LEU HB3 H 1.58 0.02 2 1396 144 146 LEU HG H 1.16 0.02 1 1397 144 146 LEU HD1 H 0.92 0.02 1 1398 144 146 LEU HD2 H 0.67 0.02 1 1399 144 146 LEU C C 175.4 0.2 1 1400 144 146 LEU CA C 56.0 0.2 1 1401 144 146 LEU CB C 43.0 0.2 1 1402 144 146 LEU CG C 26.7 0.2 1 1403 144 146 LEU CD1 C 23.5 0.2 1 1404 144 146 LEU CD2 C 26.5 0.2 1 1405 144 146 LEU N N 120.0 0.2 1 1406 145 147 LYS H H 9.33 0.02 1 1407 145 147 LYS HA H 4.50 0.02 1 1408 145 147 LYS C C 175.2 0.2 1 1409 145 147 LYS CA C 55.2 0.2 1 1410 145 147 LYS CB C 31.9 0.2 1 1411 145 147 LYS N N 127.5 0.2 1 1412 146 148 VAL H H 8.98 0.02 1 1413 146 148 VAL HA H 4.53 0.02 1 1414 146 148 VAL HB H 1.66 0.02 1 1415 146 148 VAL HG1 H 0.53 0.02 1 1416 146 148 VAL HG2 H 0.10 0.02 1 1417 146 148 VAL C C 175.9 0.2 1 1418 146 148 VAL CA C 60.6 0.2 1 1419 146 148 VAL CB C 32.8 0.2 1 1420 146 148 VAL CG1 C 22.0 0.2 1 1421 146 148 VAL CG2 C 21.1 0.2 1 1422 146 148 VAL N N 127.3 0.2 1 1423 147 149 GLY H H 9.32 0.02 1 1424 147 149 GLY HA2 H 4.51 0.02 2 1425 147 149 GLY HA3 H 4.53 0.02 2 1426 147 149 GLY C C 171.4 0.2 1 1427 147 149 GLY CA C 46.1 0.2 1 1428 147 149 GLY N N 115.0 0.2 1 1429 148 150 VAL H H 7.66 0.02 1 1430 148 150 VAL HA H 4.76 0.02 1 1431 148 150 VAL HB H 1.76 0.02 1 1432 148 150 VAL HG1 H 0.75 0.02 1 1433 148 150 VAL HG2 H 0.92 0.02 1 1434 148 150 VAL C C 173.8 0.2 1 1435 148 150 VAL CA C 60.0 0.2 1 1436 148 150 VAL CB C 34.2 0.2 1 1437 148 150 VAL CG1 C 23.2 0.2 1 1438 148 150 VAL CG2 C 21.8 0.2 1 1439 148 150 VAL N N 121.9 0.2 1 1440 149 151 ALA H H 8.27 0.02 1 1441 149 151 ALA HA H 4.17 0.02 1 1442 149 151 ALA HB H 0.96 0.02 1 1443 149 151 ALA C C 174.4 0.2 1 1444 149 151 ALA CA C 50.8 0.2 1 1445 149 151 ALA CB C 23.0 0.2 1 1446 149 151 ALA N N 127.0 0.2 1 1447 150 152 TYR H H 8.16 0.02 1 1448 150 152 TYR HA H 4.88 0.02 1 1449 150 152 TYR HB2 H 1.66 0.02 2 1450 150 152 TYR HB3 H 3.04 0.02 2 1451 150 152 TYR HD1 H 6.76 0.02 3 1452 150 152 TYR HE1 H 6.86 0.02 3 1453 150 152 TYR C C 180.4 0.2 1 1454 150 152 TYR CA C 56.0 0.2 1 1455 150 152 TYR CB C 39.8 0.2 1 1456 150 152 TYR CD1 C 133.2 0.2 3 1457 150 152 TYR CE1 C 117.4 0.2 3 1458 150 152 TYR N N 115.2 0.2 1 1459 151 153 SER H H 11.56 0.02 1 1460 151 153 SER HA H 3.87 0.02 1 1461 151 153 SER HB2 H 3.95 0.02 2 1462 151 153 SER HB3 H 3.97 0.02 2 1463 151 153 SER C C 177.0 0.2 1 1464 151 153 SER CA C 63.2 0.2 1 1465 151 153 SER CB C 62.1 0.2 1 1466 151 153 SER N N 121.6 0.2 1 1467 152 154 PHE H H 7.22 0.02 1 1468 152 154 PHE HA H 4.70 0.02 1 1469 152 154 PHE HB2 H 3.06 0.02 2 1470 152 154 PHE HB3 H 3.52 0.02 2 1471 152 154 PHE HD1 H 7.39 0.02 3 1472 152 154 PHE HE1 H 7.13 0.02 3 1473 152 154 PHE HZ H 6.87 0.02 1 1474 152 154 PHE C C 175.2 0.2 1 1475 152 154 PHE CA C 58.5 0.2 1 1476 152 154 PHE CB C 37.0 0.2 1 1477 152 154 PHE CD1 C 132.9 0.2 3 1478 152 154 PHE CE1 C 131.4 0.2 3 1479 152 154 PHE CZ C 128.6 0.2 1 1480 152 154 PHE N N 115.7 0.2 1 1481 153 155 GLN H H 8.06 0.02 1 1482 153 155 GLN HA H 4.43 0.02 1 1483 153 155 GLN HB2 H 2.39 0.02 2 1484 153 155 GLN HB3 H 2.72 0.02 2 1485 153 155 GLN HG2 H 1.50 0.02 2 1486 153 155 GLN HG3 H 2.16 0.02 2 1487 153 155 GLN C C 173.2 0.2 1 1488 153 155 GLN CA C 56.1 0.2 1 1489 153 155 GLN CB C 32.6 0.2 1 1490 153 155 GLN CG C 37.2 0.2 1 1491 153 155 GLN N N 118.8 0.2 1 1492 153 155 GLN NE2 N 111.7 0.2 1 1493 154 156 VAL H H 7.13 0.02 1 1494 154 156 VAL HA H 4.65 0.02 1 1495 154 156 VAL HB H 2.00 0.02 1 1496 154 156 VAL HG1 H 0.61 0.02 2 1497 154 156 VAL HG2 H 0.63 0.02 2 1498 154 156 VAL C C 175.3 0.2 1 1499 154 156 VAL CA C 62.0 0.2 1 1500 154 156 VAL CB C 32.0 0.2 1 1501 154 156 VAL CG1 C 21.5 0.2 2 1502 154 156 VAL CG2 C 21.8 0.2 2 1503 154 156 VAL N N 118.3 0.2 1 1504 155 157 PHE H H 9.10 0.02 1 1505 155 157 PHE HA H 4.61 0.02 1 1506 155 157 PHE HB2 H 2.35 0.02 2 1507 155 157 PHE HB3 H 3.22 0.02 2 1508 155 157 PHE HD1 H 7.34 0.02 3 1509 155 157 PHE HE1 H 7.28 0.02 3 1510 155 157 PHE HZ H 7.27 0.02 1 1511 155 157 PHE C C 174.6 0.2 1 1512 155 157 PHE CA C 56.5 0.2 1 1513 155 157 PHE CB C 42.5 0.2 1 1514 155 157 PHE CD1 C 131.9 0.2 3 1515 155 157 PHE CE1 C 131.0 0.2 3 1516 155 157 PHE CZ C 129.8 0.2 1 1517 155 157 PHE N N 128.4 0.2 1 1518 156 158 GLU H H 8.78 0.02 1 1519 156 158 GLU HA H 3.93 0.02 1 1520 156 158 GLU HB2 H 2.07 0.02 2 1521 156 158 GLU HB3 H 2.10 0.02 2 1522 156 158 GLU HG2 H 2.20 0.02 2 1523 156 158 GLU HG3 H 2.33 0.02 2 1524 156 158 GLU C C 177.6 0.2 1 1525 156 158 GLU CA C 60.9 0.2 1 1526 156 158 GLU CB C 29.7 0.2 1 1527 156 158 GLU CG C 36.5 0.2 1 1528 156 158 GLU N N 119.9 0.2 1 1529 157 159 ARG H H 7.87 0.02 1 1530 157 159 ARG HA H 4.56 0.02 1 1531 157 159 ARG C C 174.9 0.2 1 1532 157 159 ARG CA C 56.0 0.2 1 1533 157 159 ARG CB C 33.6 0.2 1 1534 157 159 ARG N N 115.3 0.2 1 1535 158 160 LEU H H 10.47 0.02 1 1536 158 160 LEU HA H 4.51 0.02 1 1537 158 160 LEU HB2 H 1.20 0.02 2 1538 158 160 LEU HB3 H 1.39 0.02 2 1539 158 160 LEU HG H 1.44 0.02 1 1540 158 160 LEU HD1 H 0.49 0.02 1 1541 158 160 LEU HD2 H 0.53 0.02 1 1542 158 160 LEU CA C 52.2 0.2 1 1543 158 160 LEU CB C 41.8 0.2 1 1544 158 160 LEU CG C 27.9 0.2 1 1545 158 160 LEU CD1 C 25.8 0.2 1 1546 158 160 LEU CD2 C 23.7 0.2 1 1547 158 160 LEU N N 129.9 0.2 1 1548 159 161 PRO HA H 4.35 0.02 1 1549 159 161 PRO HB2 H 1.77 0.02 2 1550 159 161 PRO HB3 H 2.20 0.02 2 1551 159 161 PRO HG2 H 1.77 0.02 2 1552 159 161 PRO HG3 H 1.85 0.02 2 1553 159 161 PRO HD2 H 3.16 0.02 2 1554 159 161 PRO HD3 H 3.57 0.02 2 1555 159 161 PRO C C 174.8 0.2 1 1556 159 161 PRO CA C 62.8 0.2 1 1557 159 161 PRO CB C 30.9 0.2 1 1558 159 161 PRO CD C 49.8 0.2 1 1559 160 162 ARG H H 7.82 0.02 1 1560 160 162 ARG HA H 4.37 0.02 1 1561 160 162 ARG HB2 H 1.23 0.02 2 1562 160 162 ARG HB3 H 1.40 0.02 2 1563 160 162 ARG HG2 H 0.91 0.02 2 1564 160 162 ARG HG3 H 0.93 0.02 2 1565 160 162 ARG C C 175.2 0.2 1 1566 160 162 ARG CA C 55.2 0.2 1 1567 160 162 ARG CB C 32.3 0.2 1 1568 160 162 ARG CG C 25.5 0.2 1 1569 160 162 ARG CD C 43.3 0.2 1 1570 160 162 ARG N N 120.6 0.2 1 1571 161 163 ASP H H 8.84 0.02 1 1572 161 163 ASP HA H 4.57 0.02 1 1573 161 163 ASP HB2 H 1.10 0.02 2 1574 161 163 ASP HB3 H 1.56 0.02 2 1575 161 163 ASP CA C 53.0 0.2 1 1576 161 163 ASP CB C 42.9 0.2 1 1577 161 163 ASP N N 122.5 0.2 1 1578 162 164 ALA H H 8.39 0.02 1 1579 162 164 ALA HA H 3.87 0.02 1 1580 162 164 ALA HB H 1.21 0.02 1 1581 162 164 ALA C C 177.4 0.2 1 1582 162 164 ALA CA C 54.9 0.2 1 1583 162 164 ALA CB C 18.4 0.2 1 1584 162 164 ALA N N 121.7 0.2 1 1585 163 165 TRP H H 6.82 0.02 1 1586 163 165 TRP HA H 4.73 0.02 1 1587 163 165 TRP HB2 H 3.37 0.02 2 1588 163 165 TRP HB3 H 3.42 0.02 2 1589 163 165 TRP HD1 H 7.19 0.02 1 1590 163 165 TRP HE1 H 10.18 0.02 1 1591 163 165 TRP HE3 H 7.67 0.02 1 1592 163 165 TRP HZ2 H 7.44 0.02 1 1593 163 165 TRP HZ3 H 7.22 0.02 1 1594 163 165 TRP HH2 H 7.21 0.02 1 1595 163 165 TRP C C 175.9 0.2 1 1596 163 165 TRP CA C 56.5 0.2 1 1597 163 165 TRP CB C 27.9 0.2 1 1598 163 165 TRP CD1 C 127.5 0.2 1 1599 163 165 TRP CE3 C 120.0 0.2 1 1600 163 165 TRP CZ2 C 115.0 0.2 1 1601 163 165 TRP CZ3 C 122.6 0.2 1 1602 163 165 TRP CH2 C 124.8 0.2 1 1603 163 165 TRP N N 111.5 0.2 1 1604 164 166 ASP H H 7.12 0.02 1 1605 164 166 ASP HA H 4.70 0.02 1 1606 164 166 ASP HB2 H 2.71 0.02 2 1607 164 166 ASP HB3 H 3.03 0.02 2 1608 164 166 ASP C C 175.8 0.2 1 1609 164 166 ASP CA C 56.1 0.2 1 1610 164 166 ASP CB C 41.6 0.2 1 1611 164 166 ASP N N 123.4 0.2 1 1612 165 167 ILE H H 8.55 0.02 1 1613 165 167 ILE HA H 4.75 0.02 1 1614 165 167 ILE HB H 1.90 0.02 1 1615 165 167 ILE HG12 H 1.37 0.02 2 1616 165 167 ILE HG13 H 1.64 0.02 2 1617 165 167 ILE HG2 H 0.95 0.02 1 1618 165 167 ILE HD1 H 0.89 0.02 1 1619 165 167 ILE CA C 56.9 0.2 1 1620 165 167 ILE CB C 40.1 0.2 1 1621 165 167 ILE CG1 C 26.9 0.2 1 1622 165 167 ILE CG2 C 17.0 0.2 1 1623 165 167 ILE CD1 C 12.4 0.2 1 1624 165 167 ILE N N 122.2 0.2 1 1625 166 168 PRO HA H 4.38 0.02 1 1626 166 168 PRO HB2 H 0.35 0.02 2 1627 166 168 PRO HB3 H 1.76 0.02 2 1628 166 168 PRO HG2 H 1.71 0.02 2 1629 166 168 PRO HG3 H 1.92 0.02 2 1630 166 168 PRO HD2 H 3.46 0.02 2 1631 166 168 PRO HD3 H 3.64 0.02 2 1632 166 168 PRO C C 177.5 0.2 1 1633 166 168 PRO CA C 62.1 0.2 1 1634 166 168 PRO CB C 32.1 0.2 1 1635 166 168 PRO CG C 28.1 0.2 1 1636 166 168 PRO CD C 50.3 0.2 1 1637 167 169 VAL H H 8.50 0.02 1 1638 167 169 VAL HA H 4.11 0.02 1 1639 167 169 VAL HB H 2.30 0.02 1 1640 167 169 VAL HG1 H 0.85 0.02 1 1641 167 169 VAL HG2 H 0.78 0.02 1 1642 167 169 VAL C C 173.8 0.2 1 1643 167 169 VAL CA C 61.1 0.2 1 1644 167 169 VAL CB C 31.5 0.2 1 1645 167 169 VAL CG1 C 21.8 0.2 1 1646 167 169 VAL CG2 C 18.1 0.2 1 1647 167 169 VAL N N 110.4 0.2 1 1648 168 170 ASP H H 8.50 0.02 1 1649 168 170 ASP HA H 4.63 0.02 1 1650 168 170 ASP HB2 H 2.69 0.02 2 1651 168 170 ASP HB3 H 2.79 0.02 2 1652 168 170 ASP C C 176.4 0.2 1 1653 168 170 ASP CA C 57.3 0.2 1 1654 168 170 ASP CB C 44.2 0.2 1 1655 168 170 ASP N N 115.9 0.2 1 1656 169 171 VAL H H 7.77 0.02 1 1657 169 171 VAL HA H 4.69 0.02 1 1658 169 171 VAL HB H 1.74 0.02 1 1659 169 171 VAL HG1 H 0.78 0.02 1 1660 169 171 VAL HG2 H 0.89 0.02 1 1661 169 171 VAL C C 172.1 0.2 1 1662 169 171 VAL CA C 59.9 0.2 1 1663 169 171 VAL CB C 37.5 0.2 1 1664 169 171 VAL CG1 C 22.3 0.2 1 1665 169 171 VAL CG2 C 23.1 0.2 1 1666 169 171 VAL N N 118.5 0.2 1 1667 170 172 LEU H H 8.94 0.02 1 1668 170 172 LEU HA H 4.81 0.02 1 1669 170 172 LEU HB2 H 1.01 0.02 2 1670 170 172 LEU HB3 H 1.37 0.02 2 1671 170 172 LEU HG H 1.11 0.02 1 1672 170 172 LEU HD1 H 0.13 0.02 1 1673 170 172 LEU HD2 H 0.48 0.02 1 1674 170 172 LEU C C 174.9 0.2 1 1675 170 172 LEU CA C 53.3 0.2 1 1676 170 172 LEU CB C 46.2 0.2 1 1677 170 172 LEU CG C 27.2 0.2 1 1678 170 172 LEU CD1 C 23.2 0.2 1 1679 170 172 LEU CD2 C 25.6 0.2 1 1680 170 172 LEU N N 127.2 0.2 1 1681 171 173 VAL H H 8.96 0.02 1 1682 171 173 VAL HA H 4.52 0.02 1 1683 171 173 VAL HB H 1.84 0.02 1 1684 171 173 VAL HG1 H 0.98 0.02 1 1685 171 173 VAL HG2 H 0.82 0.02 1 1686 171 173 VAL C C 173.1 0.2 1 1687 171 173 VAL CA C 62.3 0.2 1 1688 171 173 VAL CB C 34.0 0.2 1 1689 171 173 VAL CG1 C 24.0 0.2 1 1690 171 173 VAL CG2 C 23.1 0.2 1 1691 171 173 VAL N N 128.4 0.2 1 1692 172 174 THR H H 8.09 0.02 1 1693 172 174 THR HA H 6.10 0.02 1 1694 172 174 THR HB H 4.45 0.02 1 1695 172 174 THR HG2 H 0.90 0.02 1 1696 172 174 THR C C 174.5 0.2 1 1697 172 174 THR CA C 58.8 0.2 1 1698 172 174 THR CB C 72.9 0.2 1 1699 172 174 THR CG2 C 20.2 0.2 1 1700 172 174 THR N N 115.0 0.2 1 1701 173 175 GLU H H 10.24 0.02 1 1702 173 175 GLU HA H 4.04 0.02 1 1703 173 175 GLU HB2 H 2.15 0.02 2 1704 173 175 GLU HB3 H 2.17 0.02 2 1705 173 175 GLU HG2 H 2.21 0.02 2 1706 173 175 GLU HG3 H 2.74 0.02 2 1707 173 175 GLU C C 175.7 0.2 1 1708 173 175 GLU CA C 57.6 0.2 1 1709 173 175 GLU CB C 27.5 0.2 1 1710 173 175 GLU CG C 35.1 0.2 1 1711 173 175 GLU N N 119.2 0.2 1 1712 174 176 LYS H H 8.24 0.02 1 1713 174 176 LYS HA H 4.39 0.02 1 1714 174 176 LYS HB2 H 1.68 0.02 2 1715 174 176 LYS HB3 H 1.74 0.02 2 1716 174 176 LYS C C 175.6 0.2 1 1717 174 176 LYS CA C 57.0 0.2 1 1718 174 176 LYS CB C 35.3 0.2 1 1719 174 176 LYS N N 118.8 0.2 1 1720 175 177 ASN H H 7.32 0.02 1 1721 175 177 ASN HA H 4.76 0.02 1 1722 175 177 ASN HB2 H 2.58 0.02 2 1723 175 177 ASN HB3 H 2.84 0.02 2 1724 175 177 ASN HD21 H 6.75 0.02 2 1725 175 177 ASN HD22 H 7.57 0.02 2 1726 175 177 ASN C C 172.3 0.2 1 1727 175 177 ASN CA C 52.7 0.2 1 1728 175 177 ASN CB C 41.5 0.2 1 1729 175 177 ASN N N 114.4 0.2 1 1730 175 177 ASN ND2 N 114.0 0.2 1 1731 176 178 VAL H H 8.23 0.02 1 1732 176 178 VAL HA H 4.36 0.02 1 1733 176 178 VAL HB H 1.92 0.02 1 1734 176 178 VAL HG1 H 0.74 0.02 1 1735 176 178 VAL HG2 H 0.85 0.02 1 1736 176 178 VAL C C 174.7 0.2 1 1737 176 178 VAL CA C 62.0 0.2 1 1738 176 178 VAL CB C 34.0 0.2 1 1739 176 178 VAL CG1 C 21.4 0.2 1 1740 176 178 VAL CG2 C 21.3 0.2 1 1741 176 178 VAL N N 118.8 0.2 1 1742 177 179 ARG H H 8.93 0.02 1 1743 177 179 ARG HA H 4.68 0.02 1 1744 177 179 ARG HB2 H 1.53 0.02 2 1745 177 179 ARG HB3 H 1.67 0.02 2 1746 177 179 ARG HG2 H 1.38 0.02 2 1747 177 179 ARG HG3 H 1.40 0.02 2 1748 177 179 ARG C C 174.3 0.2 1 1749 177 179 ARG CA C 54.6 0.2 1 1750 177 179 ARG CB C 32.8 0.2 1 1751 177 179 ARG CD C 43.5 0.2 1 1752 177 179 ARG N N 127.2 0.2 1 1753 178 180 ARG H H 9.08 0.02 1 1754 178 180 ARG HA H 4.40 0.02 1 1755 178 180 ARG C C 175.6 0.2 1 1756 178 180 ARG CA C 56.6 0.2 1 1757 178 180 ARG CB C 29.9 0.2 1 1758 178 180 ARG CG C 28.6 0.2 1 1759 178 180 ARG CD C 42.7 0.2 1 1760 178 180 ARG N N 126.8 0.2 1 1761 179 181 LEU H H 8.00 0.02 1 1762 179 181 LEU HA H 4.42 0.02 1 1763 179 181 LEU HB2 H 1.50 0.02 2 1764 179 181 LEU HB3 H 1.74 0.02 2 1765 179 181 LEU HG H 1.51 0.02 1 1766 179 181 LEU HD1 H 0.60 0.02 1 1767 179 181 LEU HD2 H 0.67 0.02 1 1768 179 181 LEU C C 177.1 0.2 1 1769 179 181 LEU CA C 55.7 0.2 1 1770 179 181 LEU CB C 41.3 0.2 1 1771 179 181 LEU CG C 27.0 0.2 1 1772 179 181 LEU CD1 C 24.8 0.2 1 1773 179 181 LEU CD2 C 23.7 0.2 1 1774 179 181 LEU N N 124.8 0.2 1 1775 180 182 ARG H H 8.33 0.02 1 1776 180 182 ARG C C 175.6 0.2 1 1777 180 182 ARG CA C 56.0 0.2 1 1778 180 182 ARG CB C 30.9 0.2 1 1779 180 182 ARG N N 118.3 0.2 1 1780 181 183 ASP H H 8.30 0.02 1 1781 181 183 ASP HA H 4.58 0.02 1 1782 181 183 ASP HB2 H 2.65 0.02 2 1783 181 183 ASP HB3 H 2.72 0.02 2 1784 181 183 ASP C C 176.8 0.2 1 1785 181 183 ASP CA C 54.6 0.2 1 1786 181 183 ASP CB C 41.4 0.2 1 1787 181 183 ASP N N 120.5 0.2 1 1788 182 184 GLY H H 8.41 0.02 1 1789 182 184 GLY C C 174.6 0.2 1 1790 182 184 GLY CA C 45.9 0.2 1 1791 182 184 GLY N N 109.8 0.2 1 1792 183 185 ARG H H 8.14 0.02 1 1793 183 185 ARG C C 176.6 0.2 1 1794 183 185 ARG CA C 56.6 0.2 1 1795 183 185 ARG CB C 30.7 0.2 1 1796 183 185 ARG CD C 43.6 0.2 1 1797 183 185 ARG N N 120.2 0.2 1 1798 184 186 SER H H 8.32 0.02 1 1799 184 186 SER HA H 4.45 0.02 1 1800 184 186 SER HB2 H 3.90 0.02 2 1801 184 186 SER HB3 H 3.93 0.02 2 1802 184 186 SER C C 174.7 0.2 1 1803 184 186 SER CA C 58.6 0.2 1 1804 184 186 SER CB C 63.8 0.2 1 1805 184 186 SER N N 116.3 0.2 1 1806 185 187 LEU H H 8.28 0.02 1 1807 185 187 LEU HA H 4.30 0.02 1 1808 185 187 LEU HB2 H 1.54 0.02 2 1809 185 187 LEU HB3 H 1.62 0.02 2 1810 185 187 LEU C C 177.4 0.2 1 1811 185 187 LEU CA C 55.5 0.2 1 1812 185 187 LEU CB C 42.4 0.2 1 1813 185 187 LEU N N 123.9 0.2 1 1814 186 188 GLU H H 8.25 0.02 1 1815 186 188 GLU C C 176.2 0.2 1 1816 186 188 GLU CA C 56.9 0.2 1 1817 186 188 GLU CB C 30.4 0.2 1 1818 186 188 GLU N N 120.6 0.2 1 stop_ save_