data_19731 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of peptidyl-tRNA hyrolase from Vibrio cholerae ; _BMRB_accession_number 19731 _BMRB_flat_file_name bmr19731.str _Entry_type original _Submission_date 2014-01-11 _Accession_date 2014-01-11 _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 Kabra Ashish . . 2 Shahid Salman . . 3 Yadav Rahul . . 4 Pulavarti SV . . 5 Shukla Vaibhav K. . 6 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1053 "13C chemical shifts" 826 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 original author . stop_ _Original_release_date 2015-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of peptidyl-tRNA hydrolase from Vibrio cholerae' _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 Kabra Ashish . . 2 Shahid Salman . . 3 Yadav Rahul . . 4 Pulavarti SV . . 5 Shukla Vaibhav K. . 6 Arora Ashish . . stop_ _Journal_abbreviation 'Not known' _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_assembly _Saveframe_category molecular_system _Mol_system_name 'peptidyl-tRNA hyrolase from Vibrio cholerae' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $VcPth stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VcPth _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VcPth _Molecular_mass 21616.215 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; MVSQPIKLLVGLANPGPEYA KTRHNAGAWVVEELARIHNV TLKNEPKFFGLTGRLLINSQ ELRVLIPTTFMNLSGKAIAA LANFYQIKPEEIMVAHDELD LPPGVAKFKQGGGHGGHNGL KDTISKLGNNKEFYRLRLGI GHPGHKDKVAGYVLGKAPAK EQECLDAAVDESVRCLEILM KDGLTKAQNRLHTFKAE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 SER 4 GLN 5 PRO 6 ILE 7 LYS 8 LEU 9 LEU 10 VAL 11 GLY 12 LEU 13 ALA 14 ASN 15 PRO 16 GLY 17 PRO 18 GLU 19 TYR 20 ALA 21 LYS 22 THR 23 ARG 24 HIS 25 ASN 26 ALA 27 GLY 28 ALA 29 TRP 30 VAL 31 VAL 32 GLU 33 GLU 34 LEU 35 ALA 36 ARG 37 ILE 38 HIS 39 ASN 40 VAL 41 THR 42 LEU 43 LYS 44 ASN 45 GLU 46 PRO 47 LYS 48 PHE 49 PHE 50 GLY 51 LEU 52 THR 53 GLY 54 ARG 55 LEU 56 LEU 57 ILE 58 ASN 59 SER 60 GLN 61 GLU 62 LEU 63 ARG 64 VAL 65 LEU 66 ILE 67 PRO 68 THR 69 THR 70 PHE 71 MET 72 ASN 73 LEU 74 SER 75 GLY 76 LYS 77 ALA 78 ILE 79 ALA 80 ALA 81 LEU 82 ALA 83 ASN 84 PHE 85 TYR 86 GLN 87 ILE 88 LYS 89 PRO 90 GLU 91 GLU 92 ILE 93 MET 94 VAL 95 ALA 96 HIS 97 ASP 98 GLU 99 LEU 100 ASP 101 LEU 102 PRO 103 PRO 104 GLY 105 VAL 106 ALA 107 LYS 108 PHE 109 LYS 110 GLN 111 GLY 112 GLY 113 GLY 114 HIS 115 GLY 116 GLY 117 HIS 118 ASN 119 GLY 120 LEU 121 LYS 122 ASP 123 THR 124 ILE 125 SER 126 LYS 127 LEU 128 GLY 129 ASN 130 ASN 131 LYS 132 GLU 133 PHE 134 TYR 135 ARG 136 LEU 137 ARG 138 LEU 139 GLY 140 ILE 141 GLY 142 HIS 143 PRO 144 GLY 145 HIS 146 LYS 147 ASP 148 LYS 149 VAL 150 ALA 151 GLY 152 TYR 153 VAL 154 LEU 155 GLY 156 LYS 157 ALA 158 PRO 159 ALA 160 LYS 161 GLU 162 GLN 163 GLU 164 CYS 165 LEU 166 ASP 167 ALA 168 ALA 169 VAL 170 ASP 171 GLU 172 SER 173 VAL 174 ARG 175 CYS 176 LEU 177 GLU 178 ILE 179 LEU 180 MET 181 LYS 182 ASP 183 GLY 184 LEU 185 THR 186 LYS 187 ALA 188 GLN 189 ASN 190 ARG 191 LEU 192 HIS 193 THR 194 PHE 195 LYS 196 ALA 197 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MJL "Solution Structure Of Peptidyl-trna Hyrolase From Vibrio Cholerae" 100.00 197 100.00 100.00 1.05e-140 DBJ BAP03589 "peptidyl-tRNA hydrolase [Vibrio cholerae MS6]" 99.49 196 98.98 100.00 7.45e-139 EMBL CFW05257 "Peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 98.98 100.00 7.45e-139 EMBL CPR23535 "Peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 98.98 100.00 7.45e-139 EMBL CPR23575 "Peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 98.98 100.00 7.45e-139 EMBL CQB51478 "Peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 98.98 100.00 7.45e-139 EMBL CRZ39052 "peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 99.49 100.00 2.19e-139 GB AAF95329 "peptidyl-tRNA hydrolase [Vibrio cholerae O1 biovar El Tor str. N16961]" 99.49 196 99.49 100.00 2.19e-139 GB ABQ21972 "peptidyl-tRNA hydrolase [Vibrio cholerae O395]" 99.49 196 99.49 100.00 2.19e-139 GB ACP06409 "peptidyl-tRNA hydrolase [Vibrio cholerae M66-2]" 99.49 196 99.49 100.00 2.19e-139 GB ACP10290 "peptidyl-tRNA hydrolase [Vibrio cholerae O395]" 99.49 196 99.49 100.00 2.19e-139 GB ACQ60361 "peptidyl-tRNA hydrolase [Vibrio cholerae MJ-1236]" 99.49 196 99.49 100.00 2.19e-139 REF NP_231815 "peptidyl-tRNA hydrolase [Vibrio cholerae O1 biovar El Tor str. N16961]" 99.49 196 99.49 100.00 2.19e-139 REF WP_000081939 "peptidyl-tRNA hydrolase [Vibrio mimicus]" 99.49 196 98.47 99.49 2.80e-138 REF WP_000081940 "peptidyl-tRNA hydrolase [Vibrio mimicus]" 99.49 196 97.96 98.98 1.16e-137 REF WP_000081941 "peptidyl-tRNA hydrolase [Vibrio cholerae]" 99.49 196 97.96 100.00 8.17e-138 REF WP_000081943 "MULTISPECIES: peptidyl-tRNA hydrolase [Vibrio]" 99.49 196 98.98 100.00 7.45e-139 SP A5F686 "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" 99.49 196 99.49 100.00 2.19e-139 SP C3LPI9 "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" 99.49 196 99.49 100.00 2.19e-139 SP Q9KQ21 "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" 99.49 196 99.49 100.00 2.19e-139 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VcPth g-proteobacteria 666 Bacteria Proteobacteria Vibrio cholerae 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 $VcPth 'recombinant technology' . Escherichia coli . pET-NH6 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VcPth 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling VcPth 0.9 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling VcPth 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task validation stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D-HN(CA)CO_14 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CA)CO _Sample_label $sample_2 save_ save_2D-CBHE_15 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-CBHE _Sample_label $sample_3 save_ save_2D-CBHD_16 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-CBHD _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-15N HSQC' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 MET HA H 4.504 0.020 1 2 1 1 MET HB2 H 2.040 0.020 1 3 1 1 MET HB3 H 2.040 0.020 1 4 1 1 MET HG2 H 2.566 0.020 1 5 1 1 MET HG3 H 2.566 0.020 1 6 1 1 MET H H 8.511 0.020 1 7 1 1 MET C C 176.198 0.3 1 8 1 1 MET CA C 55.592 0.3 1 9 1 1 MET CB C 32.913 0.3 1 10 1 1 MET CG C 32.053 0.3 1 11 1 1 MET N N 120.572 0.3 1 12 2 2 VAL H H 8.260 0.020 1 13 2 2 VAL HA H 4.167 0.020 1 14 2 2 VAL HB H 2.072 0.020 1 15 2 2 VAL HG1 H 0.921 0.020 1 16 2 2 VAL HG2 H 0.921 0.020 1 17 2 2 VAL C C 175.919 0.3 1 18 2 2 VAL CA C 62.167 0.3 1 19 2 2 VAL CB C 33.109 0.3 1 20 2 2 VAL CG1 C 20.715 0.3 1 21 2 2 VAL CG2 C 20.715 0.3 1 22 2 2 VAL N N 122.420 0.3 1 23 3 3 SER H H 8.381 0.020 1 24 3 3 SER HA H 4.134 0.020 1 25 3 3 SER HB2 H 3.813 0.020 1 26 3 3 SER HB3 H 3.813 0.020 1 27 3 3 SER C C 173.731 0.3 1 28 3 3 SER CA C 58.253 0.3 1 29 3 3 SER CB C 63.811 0.3 1 30 3 3 SER N N 119.915 0.3 1 31 4 4 GLN H H 8.412 0.020 1 32 4 4 GLN HA H 4.469 0.020 1 33 4 4 GLN HB2 H 2.284 0.020 1 34 4 4 GLN HB3 H 2.284 0.020 1 35 4 4 GLN HG2 H 2.528 0.020 1 36 4 4 GLN HG3 H 2.528 0.020 1 37 4 4 GLN C C 174.067 0.3 1 38 4 4 GLN CA C 53.478 0.3 1 39 4 4 GLN CB C 29.394 0.3 1 40 4 4 GLN N N 123.810 0.3 1 41 5 5 PRO HA H 4.346 0.020 1 42 5 5 PRO HB2 H 2.240 0.020 1 43 5 5 PRO HB3 H 2.240 0.020 1 44 5 5 PRO HG2 H 1.786 0.020 1 45 5 5 PRO HG3 H 1.786 0.020 1 46 5 5 PRO C C 176.242 0.3 1 47 5 5 PRO CA C 64.328 0.3 1 48 5 5 PRO CB C 32.547 0.3 1 49 5 5 PRO CG C 27.014 0.3 1 50 6 6 ILE H H 7.745 0.020 1 51 6 6 ILE HA H 4.171 0.020 1 52 6 6 ILE HB H 1.781 0.020 1 53 6 6 ILE HG12 H 0.984 0.020 1 54 6 6 ILE HG13 H 0.984 0.020 1 55 6 6 ILE HG2 H 0.620 0.020 1 56 6 6 ILE C C 175.577 0.3 1 57 6 6 ILE CA C 59.036 0.3 1 58 6 6 ILE CB C 38.684 0.3 1 59 6 6 ILE CG1 C 26.501 0.3 1 60 6 6 ILE CG2 C 18.447 0.3 1 61 6 6 ILE CD1 C 14.772 0.3 1 62 6 6 ILE N N 114.232 0.3 1 63 7 7 LYS H H 9.462 0.020 1 64 7 7 LYS HA H 4.488 0.020 1 65 7 7 LYS HB2 H 1.969 0.020 2 66 7 7 LYS HB3 H 1.970 0.020 2 67 7 7 LYS HG2 H 1.443 0.020 1 68 7 7 LYS HG3 H 1.443 0.020 1 69 7 7 LYS HD2 H 1.668 0.020 2 70 7 7 LYS HD3 H 1.666 0.020 2 71 7 7 LYS HE2 H 2.984 0.020 1 72 7 7 LYS C C 175.898 0.3 1 73 7 7 LYS CA C 56.766 0.3 1 74 7 7 LYS CB C 37.281 0.3 1 75 7 7 LYS CG C 26.585 0.3 1 76 7 7 LYS CD C 29.863 0.3 1 77 7 7 LYS CE C 42.609 0.3 1 78 7 7 LYS N N 121.791 0.3 1 79 8 8 LEU H H 7.532 0.020 1 80 8 8 LEU HA H 5.187 0.020 1 81 8 8 LEU HB2 H 1.682 0.020 2 82 8 8 LEU HB3 H 1.216 0.020 2 83 8 8 LEU HG H 1.314 0.020 1 84 8 8 LEU HD1 H 0.665 0.020 1 85 8 8 LEU HD2 H 0.665 0.020 1 86 8 8 LEU C C 171.543 0.3 1 87 8 8 LEU CA C 53.219 0.3 1 88 8 8 LEU CB C 45.875 0.3 1 89 8 8 LEU CG C 25.719 0.3 1 90 8 8 LEU CD1 C 23.608 0.3 1 91 8 8 LEU CD2 C 23.608 0.3 1 92 8 8 LEU N N 122.642 0.3 1 93 9 9 LEU H H 8.900 0.020 1 94 9 9 LEU HA H 5.551 0.020 1 95 9 9 LEU HB2 H 1.783 0.020 1 96 9 9 LEU HB3 H 1.783 0.020 1 97 9 9 LEU HG H 1.043 0.020 1 98 9 9 LEU HD1 H 0.808 0.020 1 99 9 9 LEU HD2 H 0.684 0.020 1 100 9 9 LEU C C 173.410 0.3 1 101 9 9 LEU CA C 53.063 0.3 1 102 9 9 LEU CB C 45.563 0.3 1 103 9 9 LEU CG C 28.456 0.3 1 104 9 9 LEU CD1 C 22.826 0.3 1 105 9 9 LEU CD2 C 22.826 0.3 1 106 9 9 LEU N N 128.904 0.3 1 107 10 10 VAL H H 9.246 0.020 1 108 10 10 VAL HA H 5.344 0.020 1 109 10 10 VAL HB H 1.910 0.020 1 110 10 10 VAL HG1 H 0.854 0.020 1 111 10 10 VAL HG2 H 0.854 0.020 1 112 10 10 VAL C C 174.353 0.3 1 113 10 10 VAL CA C 58.880 0.3 1 114 10 10 VAL CB C 35.250 0.3 1 115 10 10 VAL CG1 C 21.027 0.3 1 116 10 10 VAL CG2 C 21.027 0.3 1 117 10 10 VAL N N 126.431 0.3 1 118 11 11 GLY H H 8.738 0.020 1 119 11 11 GLY HA2 H 4.670 0.020 2 120 11 11 GLY HA3 H 2.911 0.020 2 121 11 11 GLY C C 170.943 0.3 1 122 11 11 GLY CA C 45.172 0.3 1 123 11 11 GLY N N 115.421 0.3 1 124 12 12 LEU H H 7.423 0.020 1 125 12 12 LEU HA H 4.216 0.020 1 126 12 12 LEU HB2 H 1.467 0.020 1 127 12 12 LEU HB3 H 1.467 0.020 1 128 12 12 LEU HG H 1.467 0.020 1 129 12 12 LEU HD1 H 0.932 0.020 1 130 12 12 LEU HD2 H 0.932 0.020 1 131 12 12 LEU C C 176.498 0.3 1 132 12 12 LEU CA C 55.749 0.3 1 133 12 12 LEU CB C 40.328 0.3 1 134 12 12 LEU CG C 26.501 0.3 1 135 12 12 LEU CD1 C 21.340 0.3 1 136 12 12 LEU CD2 C 21.340 0.3 1 137 12 12 LEU N N 119.415 0.3 1 138 13 13 ALA H H 8.627 0.020 1 139 13 13 ALA HA H 4.368 0.020 1 140 13 13 ALA HB H 1.257 0.020 1 141 13 13 ALA C C 177.463 0.3 1 142 13 13 ALA CA C 52.774 0.3 1 143 13 13 ALA CB C 25.641 0.3 1 144 13 13 ALA N N 121.608 0.3 1 145 14 14 ASN H H 8.896 0.020 1 146 14 14 ASN HA H 4.404 0.020 1 147 14 14 ASN HB2 H 1.454 0.020 1 148 14 14 ASN HB3 H 1.454 0.020 1 149 14 14 ASN C C 173.431 0.3 1 150 14 14 ASN CA C 51.052 0.3 1 151 14 14 ASN CB C 40.484 0.3 1 152 14 14 ASN N N 116.827 0.3 1 153 17 17 PRO HA H 4.357 0.020 1 154 17 17 PRO HB2 H 2.334 0.020 1 155 17 17 PRO HB3 H 2.334 0.020 1 156 17 17 PRO HG2 H 2.033 0.020 1 157 17 17 PRO HG3 H 2.033 0.020 1 158 17 17 PRO C C 179.073 0.3 1 159 17 17 PRO CA C 65.172 0.3 1 160 17 17 PRO CB C 31.874 0.3 1 161 17 17 PRO CG C 27.517 0.3 1 162 18 18 GLU H H 9.729 0.020 1 163 18 18 GLU HA H 4.054 0.020 1 164 18 18 GLU HB2 H 1.697 0.020 2 165 18 18 GLU HB3 H 1.700 0.020 2 166 18 18 GLU HG2 H 2.010 0.020 2 167 18 18 GLU HG3 H 1.868 0.020 2 168 18 18 GLU C C 177.807 0.3 1 169 18 18 GLU CA C 58.801 0.3 1 170 18 18 GLU CB C 28.429 0.3 1 171 18 18 GLU CG C 35.884 0.3 1 172 18 18 GLU N N 118.514 0.3 1 173 19 19 TYR H H 7.268 0.020 1 174 19 19 TYR HA H 3.427 0.020 1 175 19 19 TYR HB2 H 2.334 0.020 1 176 19 19 TYR HB3 H 2.334 0.020 1 177 19 19 TYR HD1 H 6.903 0.020 1 178 19 19 TYR HD2 H 6.903 0.020 1 179 19 19 TYR HE1 H 6.897 0.020 3 180 19 19 TYR HE2 H 6.897 0.020 3 181 19 19 TYR C C 177.549 0.3 1 182 19 19 TYR CA C 58.332 0.3 1 183 19 19 TYR CB C 39.701 0.3 1 184 19 19 TYR CD1 C 129.117 0.3 1 185 19 19 TYR CD2 C 129.117 0.3 1 186 19 19 TYR CE1 C 118.709 0.3 1 187 19 19 TYR CE2 C 118.709 0.3 1 188 19 19 TYR N N 115.421 0.3 1 189 20 20 ALA H H 7.245 0.020 1 190 20 20 ALA HA H 4.429 0.020 1 191 20 20 ALA HB H 1.576 0.020 1 192 20 20 ALA C C 178.365 0.3 1 193 20 20 ALA CA C 55.983 0.3 1 194 20 20 ALA CB C 19.741 0.3 1 195 20 20 ALA N N 123.858 0.3 1 196 21 21 LYS H H 8.894 0.020 1 197 21 21 LYS HA H 4.783 0.020 1 198 21 21 LYS HB2 H 2.215 0.020 1 199 21 21 LYS HB3 H 2.215 0.020 1 200 21 21 LYS HG2 H 1.322 0.020 1 201 21 21 LYS HG3 H 1.322 0.020 1 202 21 21 LYS HD2 H 1.442 0.020 2 203 21 21 LYS HD3 H 1.322 0.020 2 204 21 21 LYS HE2 H 2.661 0.020 2 205 21 21 LYS HE3 H 2.608 0.020 2 206 21 21 LYS C C 176.541 0.3 1 207 21 21 LYS CA C 54.414 0.3 1 208 21 21 LYS CB C 32.109 0.3 1 209 21 21 LYS CG C 25.051 0.3 1 210 21 21 LYS CD C 28.143 0.3 1 211 21 21 LYS CE C 41.592 0.3 1 212 21 21 LYS N N 114.577 0.3 1 213 22 22 THR H H 7.927 0.020 1 214 22 22 THR HA H 4.495 0.020 1 215 22 22 THR HB H 3.830 0.020 1 216 22 22 THR HG2 H 1.298 0.020 1 217 22 22 THR C C 175.277 0.3 1 218 22 22 THR CA C 61.306 0.3 1 219 22 22 THR CB C 72.109 0.3 1 220 22 22 THR CG2 C 24.233 0.3 1 221 22 22 THR N N 111.202 0.3 1 222 23 23 ARG H H 8.245 0.020 1 223 23 23 ARG HA H 4.508 0.020 1 224 23 23 ARG HB2 H 2.342 0.020 1 225 23 23 ARG HB3 H 2.342 0.020 1 226 23 23 ARG HG2 H 1.285 0.020 2 227 23 23 ARG HG3 H 1.037 0.020 2 228 23 23 ARG HD2 H 2.655 0.020 1 229 23 23 ARG HD3 H 2.655 0.020 1 230 23 23 ARG C C 177.142 0.3 1 231 23 23 ARG CA C 60.993 0.3 1 232 23 23 ARG CB C 31.874 0.3 1 233 23 23 ARG CG C 29.238 0.3 1 234 23 23 ARG CD C 46.831 0.3 1 235 23 23 ARG N N 119.639 0.3 1 236 24 24 HIS H H 8.245 0.020 1 237 24 24 HIS HA H 3.928 0.020 1 238 24 24 HIS HB2 H 2.957 0.020 1 239 24 24 HIS HB3 H 2.957 0.020 1 240 24 24 HIS HD2 H 7.206 0.020 1 241 24 24 HIS C C 173.109 0.3 1 242 24 24 HIS CA C 53.870 0.3 1 243 24 24 HIS CB C 29.003 0.3 1 244 24 24 HIS CD2 C 118.902 0.3 1 245 24 24 HIS N N 115.140 0.3 1 246 25 25 ASN H H 7.661 0.020 1 247 25 25 ASN HA H 4.761 0.020 1 248 25 25 ASN HB2 H 3.297 0.020 2 249 25 25 ASN HB3 H 2.903 0.020 2 250 25 25 ASN C C 175.234 0.3 1 251 25 25 ASN CA C 52.148 0.3 1 252 25 25 ASN CB C 38.214 0.3 1 253 25 25 ASN N N 115.140 0.3 1 254 26 26 ALA H H 7.148 0.020 1 255 26 26 ALA HA H 4.757 0.020 1 256 26 26 ALA HB H 0.947 0.020 1 257 26 26 ALA C C 178.428 0.3 1 258 26 26 ALA CA C 54.496 0.3 1 259 26 26 ALA CB C 18.410 0.3 1 260 26 26 ALA N N 120.764 0.3 1 261 27 27 GLY H H 8.957 0.020 1 262 27 27 GLY HA2 H 3.685 0.020 2 263 27 27 GLY HA3 H 3.357 0.020 2 264 27 27 GLY C C 176.520 0.3 1 265 27 27 GLY CA C 46.981 0.3 1 266 27 27 GLY N N 100.254 0.3 1 267 28 28 ALA H H 7.090 0.020 1 268 28 28 ALA HA H 4.190 0.020 1 269 28 28 ALA HB H 1.485 0.020 1 270 28 28 ALA C C 179.373 0.3 1 271 28 28 ALA CA C 55.592 0.3 1 272 28 28 ALA CB C 18.332 0.3 1 273 28 28 ALA N N 123.296 0.3 1 274 29 29 TRP H H 7.649 0.020 1 275 29 29 TRP HA H 4.717 0.020 1 276 29 29 TRP HB2 H 3.817 0.020 2 277 29 29 TRP HB3 H 3.295 0.020 2 278 29 29 TRP HD1 H 7.260 0.020 1 279 29 29 TRP C C 179.973 0.3 1 280 29 29 TRP CA C 57.862 0.3 1 281 29 29 TRP CB C 29.056 0.3 1 282 29 29 TRP CD1 C 125.902 0.3 1 283 29 29 TRP N N 117.952 0.3 1 284 30 30 VAL H H 7.263 0.020 1 285 30 30 VAL HA H 3.556 0.020 1 286 30 30 VAL HB H 2.342 0.020 1 287 30 30 VAL HG1 H 1.219 0.020 1 288 30 30 VAL HG2 H 0.776 0.020 1 289 30 30 VAL C C 176.542 0.3 1 290 30 30 VAL CA C 66.160 0.3 1 291 30 30 VAL CB C 32.030 0.3 1 292 30 30 VAL CG1 C 24.233 0.3 1 293 30 30 VAL CG2 C 21.340 0.3 1 294 30 30 VAL N N 116.082 0.3 1 295 31 31 VAL H H 6.912 0.020 1 296 31 31 VAL HA H 3.260 0.020 1 297 31 31 VAL HB H 2.031 0.020 1 298 31 31 VAL HG1 H 0.856 0.020 1 299 31 31 VAL HG2 H 0.793 0.020 1 300 31 31 VAL C C 177.142 0.3 1 301 31 31 VAL CA C 67.647 0.3 1 302 31 31 VAL CB C 31.639 0.3 1 303 31 31 VAL CG1 C 22.200 0.3 1 304 31 31 VAL CG2 C 22.200 0.3 1 305 31 31 VAL N N 118.514 0.3 1 306 32 32 GLU H H 9.069 0.020 1 307 32 32 GLU HA H 3.791 0.020 1 308 32 32 GLU HB2 H 2.211 0.020 2 309 32 32 GLU HB3 H 2.002 0.020 2 310 32 32 GLU HG2 H 2.517 0.020 1 311 32 32 GLU HG3 H 2.517 0.020 1 312 32 32 GLU C C 179.715 0.3 1 313 32 32 GLU CA C 60.054 0.3 1 314 32 32 GLU CB C 30.073 0.3 1 315 32 32 GLU CG C 36.979 0.3 1 316 32 32 GLU N N 117.882 0.3 1 317 33 33 GLU H H 7.967 0.020 1 318 33 33 GLU HA H 4.504 0.020 1 319 33 33 GLU HB2 H 1.394 0.020 1 320 33 33 GLU HB3 H 1.394 0.020 1 321 33 33 GLU HG2 H 2.320 0.020 2 322 33 33 GLU HG3 H 2.320 0.020 2 323 33 33 GLU C C 177.807 0.3 1 324 33 33 GLU CA C 58.488 0.3 1 325 33 33 GLU CB C 28.977 0.3 1 326 33 33 GLU CG C 35.024 0.3 1 327 33 33 GLU N N 120.202 0.3 1 328 34 34 LEU H H 8.297 0.020 1 329 34 34 LEU HA H 4.023 0.020 1 330 34 34 LEU HB2 H 1.900 0.020 1 331 34 34 LEU HB3 H 1.900 0.020 1 332 34 34 LEU HG H 1.545 0.020 1 333 34 34 LEU HD1 H 0.726 0.020 1 334 34 34 LEU HD2 H 0.726 0.020 1 335 34 34 LEU C C 178.429 0.3 1 336 34 34 LEU CA C 58.422 0.3 1 337 34 34 LEU CB C 42.441 0.3 1 338 34 34 LEU CG C 27.048 0.3 1 339 34 34 LEU CD1 C 24.546 0.3 1 340 34 34 LEU CD2 C 24.546 0.3 1 341 34 34 LEU N N 121.046 0.3 1 342 35 35 ALA H H 8.450 0.020 1 343 35 35 ALA HA H 3.867 0.020 1 344 35 35 ALA HB H 1.409 0.020 1 345 35 35 ALA C C 178.729 0.3 1 346 35 35 ALA CA C 55.670 0.3 1 347 35 35 ALA CB C 17.157 0.3 1 348 35 35 ALA N N 118.233 0.3 1 349 36 36 ARG H H 8.063 0.020 1 350 36 36 ARG HA H 4.040 0.020 1 351 36 36 ARG HB2 H 2.061 0.020 1 352 36 36 ARG HB3 H 2.061 0.020 1 353 36 36 ARG HG2 H 0.945 0.020 1 354 36 36 ARG HG3 H 0.945 0.020 1 355 36 36 ARG C C 181.217 0.3 1 356 36 36 ARG CA C 59.819 0.3 1 357 36 36 ARG CB C 30.543 0.3 1 358 36 36 ARG CG C 27.283 0.3 1 359 36 36 ARG CD C 44.798 0.3 1 360 36 36 ARG N N 118.796 0.3 1 361 37 37 ILE H H 8.420 0.020 1 362 37 37 ILE HA H 3.751 0.020 1 363 37 37 ILE HB H 1.849 0.020 1 364 37 37 ILE HG12 H 1.311 0.020 2 365 37 37 ILE HG13 H 1.466 0.020 2 366 37 37 ILE HG2 H 0.841 0.020 1 367 37 37 ILE HD1 H 0.620 0.020 1 368 37 37 ILE C C 177.443 0.3 1 369 37 37 ILE CA C 64.359 0.3 1 370 37 37 ILE CB C 38.214 0.3 1 371 37 37 ILE CG1 C 28.768 0.3 1 372 37 37 ILE CG2 C 16.961 0.3 1 373 37 37 ILE CD1 C 13.599 0.3 1 374 37 37 ILE N N 119.077 0.3 1 375 38 38 HIS H H 7.635 0.020 1 376 38 38 HIS HA H 4.399 0.020 1 377 38 38 HIS HB2 H 3.420 0.020 2 378 38 38 HIS HB3 H 2.773 0.020 2 379 38 38 HIS HD2 H 7.130 0.020 1 380 38 38 HIS C C 173.452 0.3 1 381 38 38 HIS CA C 57.236 0.3 1 382 38 38 HIS CB C 30.699 0.3 1 383 38 38 HIS CD2 C 118.727 0.3 1 384 38 38 HIS N N 116.546 0.3 1 385 39 39 ASN H H 7.942 0.020 1 386 39 39 ASN HA H 4.352 0.020 1 387 39 39 ASN HB2 H 3.110 0.020 2 388 39 39 ASN HB3 H 2.775 0.020 2 389 39 39 ASN C C 174.310 0.3 1 390 39 39 ASN CA C 54.653 0.3 1 391 39 39 ASN CB C 37.353 0.3 1 392 39 39 ASN N N 117.108 0.3 1 393 40 40 VAL H H 8.578 0.020 1 394 40 40 VAL HA H 4.216 0.020 1 395 40 40 VAL HB H 1.770 0.020 1 396 40 40 VAL HG1 H 0.983 0.020 1 397 40 40 VAL HG2 H 0.757 0.020 1 398 40 40 VAL C C 175.361 0.3 1 399 40 40 VAL CA C 61.776 0.3 1 400 40 40 VAL CB C 34.222 0.3 1 401 40 40 VAL CG1 C 22.278 0.3 1 402 40 40 VAL CG2 C 20.715 0.3 1 403 40 40 VAL N N 119.921 0.3 1 404 41 41 THR H H 8.617 0.020 1 405 41 41 THR HA H 4.231 0.020 1 406 41 41 THR HB H 3.975 0.020 1 407 41 41 THR HG2 H 1.181 0.020 1 408 41 41 THR C C 174.033 0.3 1 409 41 41 THR CA C 61.776 0.3 1 410 41 41 THR CB C 69.525 0.3 1 411 41 41 THR CG2 C 21.575 0.3 1 412 41 41 THR N N 123.878 0.3 1 413 42 42 LEU H H 8.783 0.020 1 414 42 42 LEU HA H 4.337 0.020 1 415 42 42 LEU HB2 H 1.715 0.020 2 416 42 42 LEU HB3 H 1.513 0.020 2 417 42 42 LEU HG H 1.059 0.020 1 418 42 42 LEU HD1 H 0.727 0.020 1 419 42 42 LEU HD2 H 0.377 0.020 1 420 42 42 LEU C C 175.919 0.3 1 421 42 42 LEU CA C 54.809 0.3 1 422 42 42 LEU CB C 41.893 0.3 1 423 42 42 LEU CG C 23.060 0.3 1 424 42 42 LEU CD1 C 25.719 0.3 1 425 42 42 LEU CD2 C 25.719 0.3 1 426 42 42 LEU N N 128.639 0.3 1 427 43 43 LYS H H 8.738 0.020 1 428 43 43 LYS HA H 4.589 0.020 1 429 43 43 LYS HB2 H 1.753 0.020 1 430 43 43 LYS HB3 H 1.753 0.020 1 431 43 43 LYS HG2 H 1.390 0.020 1 432 43 43 LYS HG3 H 1.390 0.020 1 433 43 43 LYS HE2 H 2.957 0.020 1 434 43 43 LYS HE3 H 2.957 0.020 1 435 43 43 LYS C C 175.619 0.3 1 436 43 43 LYS CA C 54.496 0.3 1 437 43 43 LYS CB C 35.944 0.3 1 438 43 43 LYS CG C 25.143 0.3 1 439 43 43 LYS CD C 29.316 0.3 1 440 43 43 LYS CE C 42.433 0.3 1 441 43 43 LYS N N 122.452 0.3 1 442 44 44 ASN H H 8.906 0.020 1 443 44 44 ASN HA H 4.580 0.020 1 444 44 44 ASN HB2 H 2.744 0.020 2 445 44 44 ASN HB3 H 2.547 0.020 2 446 44 44 ASN C C 174.718 0.3 1 447 44 44 ASN CA C 54.484 0.3 1 448 44 44 ASN CB C 38.840 0.3 1 449 44 44 ASN N N 123.014 0.3 1 450 45 45 GLU H H 8.675 0.020 1 451 45 45 GLU HA H 4.374 0.020 1 452 45 45 GLU HB2 H 2.119 0.020 1 453 45 45 GLU HB3 H 2.119 0.020 1 454 45 45 GLU C C 173.731 0.3 1 455 45 45 GLU CA C 53.244 0.3 1 456 45 45 GLU CB C 31.639 0.3 1 457 45 45 GLU N N 128.921 0.3 1 458 46 46 PRO HA H 3.988 0.020 1 459 46 46 PRO HB2 H 2.210 0.020 1 460 46 46 PRO HB3 H 2.210 0.020 1 461 46 46 PRO HG2 H 1.713 0.020 1 462 46 46 PRO HG3 H 1.713 0.020 1 463 46 46 PRO C C 175.298 0.3 1 464 46 46 PRO CA C 64.985 0.3 1 465 46 46 PRO CB C 32.030 0.3 1 466 46 46 PRO CG C 26.923 0.3 1 467 46 46 PRO CD C 46.853 0.3 1 468 47 47 LYS H H 8.239 0.020 1 469 47 47 LYS HA H 3.518 0.020 1 470 47 47 LYS HB2 H 1.180 0.020 2 471 47 47 LYS HB3 H 0.932 0.020 2 472 47 47 LYS HG2 H 0.514 0.020 2 473 47 47 LYS HG3 H 0.146 0.020 2 474 47 47 LYS HD2 H 1.044 0.020 1 475 47 47 LYS HD3 H 1.044 0.020 1 476 47 47 LYS HE2 H 2.304 0.020 1 477 47 47 LYS HE3 H 2.304 0.020 1 478 47 47 LYS C C 174.998 0.3 1 479 47 47 LYS CA C 57.862 0.3 1 480 47 47 LYS CB C 31.561 0.3 1 481 47 47 LYS CG C 23.217 0.3 1 482 47 47 LYS CD C 28.925 0.3 1 483 47 47 LYS CE C 41.670 0.3 1 484 47 47 LYS N N 115.793 0.3 1 485 48 48 PHE H H 7.398 0.020 1 486 48 48 PHE HA H 4.890 0.020 1 487 48 48 PHE HB2 H 3.593 0.020 2 488 48 48 PHE HB3 H 2.425 0.020 2 489 48 48 PHE HD1 H 6.923 0.020 1 490 48 48 PHE HD2 H 6.923 0.020 1 491 48 48 PHE HE1 H 7.015 0.020 3 492 48 48 PHE HE2 H 6.923 0.020 3 493 48 48 PHE C C 172.810 0.3 1 494 48 48 PHE CA C 53.870 0.3 1 495 48 48 PHE CB C 39.701 0.3 1 496 48 48 PHE CD1 C 130.880 0.3 1 497 48 48 PHE CD2 C 130.880 0.3 1 498 48 48 PHE CE1 C 130.880 0.3 1 499 48 48 PHE CE2 C 130.880 0.3 1 500 48 48 PHE N N 114.577 0.3 1 501 49 49 PHE H H 6.923 0.020 1 502 49 49 PHE HA H 3.852 0.020 1 503 49 49 PHE HB2 H 3.166 0.020 2 504 49 49 PHE HB3 H 2.962 0.020 2 505 49 49 PHE HD1 H 7.013 0.020 1 506 49 49 PHE HD2 H 7.013 0.020 1 507 49 49 PHE HE1 H 7.015 0.020 3 508 49 49 PHE HE2 H 6.918 0.020 3 509 49 49 PHE C C 175.298 0.3 1 510 49 49 PHE CA C 58.019 0.3 1 511 49 49 PHE CB C 36.431 0.3 1 512 49 49 PHE CD1 C 131.773 0.3 1 513 49 49 PHE CD2 C 131.773 0.3 1 514 49 49 PHE CE1 C 131.773 0.3 1 515 49 49 PHE CE2 C 131.773 0.3 1 516 49 49 PHE N N 110.358 0.3 1 517 50 50 GLY H H 6.836 0.020 1 518 50 50 GLY HA2 H 4.702 0.020 2 519 50 50 GLY HA3 H 3.882 0.020 2 520 50 50 GLY C C 170.643 0.3 1 521 50 50 GLY CA C 47.138 0.3 1 522 50 50 GLY N N 136.915 0.3 1 523 51 51 LEU H H 8.692 0.020 1 524 51 51 LEU HA H 4.837 0.020 1 525 51 51 LEU HB2 H 1.846 0.020 1 526 51 51 LEU HB3 H 1.846 0.020 1 527 51 51 LEU HG H 1.105 0.020 1 528 51 51 LEU HD1 H 0.801 0.020 1 529 51 51 LEU HD2 H 0.687 0.020 1 530 51 51 LEU C C 177.164 0.3 1 531 51 51 LEU CA C 53.087 0.3 1 532 51 51 LEU CB C 44.163 0.3 1 533 51 51 LEU CG C 25.562 0.3 1 534 51 51 LEU CD1 C 23.060 0.3 1 535 51 51 LEU CD2 C 23.060 0.3 1 536 51 51 LEU N N 119.282 0.3 1 537 52 52 THR H H 9.230 0.020 1 538 52 52 THR HA H 5.529 0.020 1 539 52 52 THR HB H 4.291 0.020 1 540 52 52 THR HG2 H 1.257 0.020 1 541 52 52 THR C C 173.732 0.3 1 542 52 52 THR CA C 59.036 0.3 1 543 52 52 THR CB C 72.578 0.3 1 544 52 52 THR CG2 C 21.262 0.3 1 545 52 52 THR N N 112.608 0.3 1 546 53 53 GLY H H 7.881 0.020 1 547 53 53 GLY HA2 H 4.439 0.020 2 548 53 53 GLY HA3 H 3.426 0.020 2 549 53 53 GLY C C 171.545 0.3 1 550 53 53 GLY CA C 45.024 0.3 1 551 53 53 GLY N N 105.858 0.3 1 552 54 54 ARG H H 8.627 0.020 1 553 54 54 ARG HA H 4.861 0.020 1 554 54 54 ARG HB2 H 1.712 0.020 2 555 54 54 ARG HB3 H 1.591 0.020 2 556 54 54 ARG HG2 H 1.335 0.020 2 557 54 54 ARG HG3 H 1.244 0.020 2 558 54 54 ARG HD2 H 3.017 0.020 1 559 54 54 ARG HD3 H 3.017 0.020 1 560 54 54 ARG C C 172.767 0.3 1 561 54 54 ARG CA C 55.749 0.3 1 562 54 54 ARG CB C 32.813 0.3 1 563 54 54 ARG CG C 27.126 0.3 1 564 54 54 ARG CD C 43.391 0.3 1 565 54 54 ARG N N 122.128 0.3 1 566 55 55 LEU H H 8.968 0.020 1 567 55 55 LEU HA H 4.584 0.020 1 568 55 55 LEU HB2 H 1.446 0.020 2 569 55 55 LEU HB3 H 1.374 0.020 2 570 55 55 LEU HG H 1.474 0.020 1 571 55 55 LEU HD1 H 0.525 0.020 1 572 55 55 LEU HD2 H 0.525 0.020 1 573 55 55 LEU C C 174.011 0.3 1 574 55 55 LEU CA C 54.105 0.3 1 575 55 55 LEU CB C 44.242 0.3 1 576 55 55 LEU CG C 27.986 0.3 1 577 55 55 LEU CD1 C 26.032 0.3 1 578 55 55 LEU CD2 C 26.032 0.3 1 579 55 55 LEU N N 125.264 0.3 1 580 56 56 LEU H H 8.405 0.020 1 581 56 56 LEU HA H 5.020 0.020 1 582 56 56 LEU HB2 H 1.461 0.020 2 583 56 56 LEU HB3 H 1.394 0.020 2 584 56 56 LEU HG H 1.326 0.020 1 585 56 56 LEU HD1 H 0.874 0.020 1 586 56 56 LEU HD2 H 0.725 0.020 1 587 56 56 LEU C C 176.263 0.3 1 588 56 56 LEU CA C 53.688 0.3 1 589 56 56 LEU CB C 43.694 0.3 1 590 56 56 LEU CG C 27.595 0.3 1 591 56 56 LEU CD1 C 24.233 0.3 1 592 56 56 LEU CD2 C 24.233 0.3 1 593 56 56 LEU N N 123.577 0.3 1 594 57 57 ILE H H 8.617 0.020 1 595 57 57 ILE HA H 4.210 0.020 1 596 57 57 ILE HB H 1.438 0.020 1 597 57 57 ILE HG12 H 1.195 0.020 1 598 57 57 ILE HG13 H 1.195 0.020 1 599 57 57 ILE HG2 H 0.786 0.020 1 600 57 57 ILE HD1 H 0.589 0.020 1 601 57 57 ILE C C 175.655 0.3 1 602 57 57 ILE CA C 60.132 0.3 1 603 57 57 ILE CB C 40.484 0.3 1 604 57 57 ILE CG1 C 26.657 0.3 1 605 57 57 ILE CG2 C 17.509 0.3 1 606 57 57 ILE CD1 C 13.599 0.3 1 607 57 57 ILE N N 123.748 0.3 1 608 58 58 ASN H H 9.489 0.020 1 609 58 58 ASN HA H 4.322 0.020 1 610 58 58 ASN HB2 H 3.093 0.020 2 611 58 58 ASN HB3 H 2.425 0.020 2 612 58 58 ASN C C 174.976 0.3 1 613 58 58 ASN CA C 54.766 0.3 1 614 58 58 ASN CB C 37.745 0.3 1 615 58 58 ASN N N 127.486 0.3 1 616 59 59 SER H H 8.664 0.020 1 617 59 59 SER HA H 3.833 0.020 1 618 59 59 SER HB2 H 4.078 0.020 2 619 59 59 SER HB3 H 4.038 0.020 2 620 59 59 SER C C 172.510 0.3 1 621 59 59 SER CA C 60.445 0.3 1 622 59 59 SER CB C 62.246 0.3 1 623 59 59 SER N N 106.702 0.3 1 624 60 60 GLN H H 7.925 0.020 1 625 60 60 GLN HA H 4.490 0.020 1 626 60 60 GLN HB2 H 2.126 0.020 2 627 60 60 GLN HB3 H 2.045 0.020 2 628 60 60 GLN HG2 H 2.434 0.020 2 629 60 60 GLN HG3 H 2.295 0.020 2 630 60 60 GLN C C 174.310 0.3 1 631 60 60 GLN CA C 54.183 0.3 1 632 60 60 GLN CB C 31.169 0.3 1 633 60 60 GLN CG C 33.929 0.3 1 634 60 60 GLN N N 120.764 0.3 1 635 61 61 GLU H H 8.613 0.020 1 636 61 61 GLU HA H 4.626 0.020 1 637 61 61 GLU HB2 H 2.420 0.020 2 638 61 61 GLU HB3 H 2.342 0.020 2 639 61 61 GLU HG2 H 1.922 0.020 1 640 61 61 GLU HG3 H 1.922 0.020 1 641 61 61 GLU C C 174.932 0.3 1 642 61 61 GLU CA C 55.827 0.3 1 643 61 61 GLU CB C 31.639 0.3 1 644 61 61 GLU CG C 36.979 0.3 1 645 61 61 GLU N N 122.452 0.3 1 646 62 62 LEU H H 9.131 0.020 1 647 62 62 LEU HA H 4.483 0.020 1 648 62 62 LEU HB2 H 1.084 0.020 1 649 62 62 LEU HB3 H 1.084 0.020 1 650 62 62 LEU HG H 0.758 0.020 1 651 62 62 LEU HD1 H 0.620 0.020 1 652 62 62 LEU HD2 H 0.620 0.020 1 653 62 62 LEU C C 175.276 0.3 1 654 62 62 LEU CA C 53.713 0.3 1 655 62 62 LEU CB C 45.416 0.3 1 656 62 62 LEU CG C 25.328 0.3 1 657 62 62 LEU CD1 C 22.608 0.3 1 658 62 62 LEU CD2 C 22.608 0.3 1 659 62 62 LEU N N 129.483 0.3 1 660 63 63 ARG H H 7.802 0.020 1 661 63 63 ARG HA H 4.884 0.020 1 662 63 63 ARG HB2 H 1.561 0.020 1 663 63 63 ARG HB3 H 1.561 0.020 1 664 63 63 ARG HG2 H 1.303 0.020 1 665 63 63 ARG HG3 H 1.303 0.020 1 666 63 63 ARG HD2 H 2.590 0.020 2 667 63 63 ARG HD3 H 2.264 0.020 2 668 63 63 ARG C C 174.998 0.3 1 669 63 63 ARG CA C 55.983 0.3 1 670 63 63 ARG CB C 31.013 0.3 1 671 63 63 ARG CG C 29.394 0.3 1 672 63 63 ARG CD C 42.687 0.3 1 673 63 63 ARG N N 125.546 0.3 1 674 64 64 VAL H H 8.199 0.020 1 675 64 64 VAL HA H 5.840 0.020 1 676 64 64 VAL HB H 1.932 0.020 1 677 64 64 VAL HG1 H 0.726 0.020 1 678 64 64 VAL HG2 H 0.436 0.020 1 679 64 64 VAL C C 174.353 0.3 1 680 64 64 VAL CA C 57.784 0.3 1 681 64 64 VAL CB C 34.927 0.3 1 682 64 64 VAL CG1 C 22.200 0.3 1 683 64 64 VAL CG2 C 18.447 0.3 1 684 64 64 VAL N N 112.608 0.3 1 685 65 65 LEU H H 8.163 0.020 1 686 65 65 LEU HA H 5.526 0.020 1 687 65 65 LEU HB2 H 1.560 0.020 2 688 65 65 LEU HB3 H 1.409 0.020 2 689 65 65 LEU HG H 1.232 0.020 1 690 65 65 LEU HD1 H 0.821 0.020 1 691 65 65 LEU HD2 H 0.821 0.020 1 692 65 65 LEU C C 174.353 0.3 1 693 65 65 LEU CA C 53.557 0.3 1 694 65 65 LEU CB C 47.686 0.3 1 695 65 65 LEU CG C 26.735 0.3 1 696 65 65 LEU CD1 C 22.591 0.3 1 697 65 65 LEU CD2 C 22.591 0.3 1 698 65 65 LEU N N 122.279 0.3 1 699 66 66 ILE H H 9.131 0.020 1 700 66 66 ILE HA H 5.122 0.020 1 701 66 66 ILE HB H 1.727 0.020 1 702 66 66 ILE HG12 H 1.208 0.020 1 703 66 66 ILE HG13 H 1.208 0.020 1 704 66 66 ILE HG2 H 0.922 0.020 1 705 66 66 ILE HD1 H 0.922 0.020 1 706 66 66 ILE C C 173.817 0.3 1 707 66 66 ILE CA C 58.567 0.3 1 708 66 66 ILE CB C 41.815 0.3 1 709 66 66 ILE N N 126.952 0.3 1 710 67 67 PRO HA H 4.508 0.020 1 711 67 67 PRO HB2 H 2.069 0.020 1 712 67 67 PRO HB3 H 2.069 0.020 1 713 67 67 PRO HG2 H 1.952 0.020 2 714 67 67 PRO HG3 H 2.133 0.020 2 715 67 67 PRO C C 177.786 0.3 1 716 67 67 PRO CA C 63.203 0.3 1 717 67 67 PRO CB C 33.109 0.3 1 718 67 67 PRO CG C 28.843 0.3 1 719 68 68 THR H H 9.645 0.020 1 720 68 68 THR HA H 4.370 0.020 1 721 68 68 THR HB H 4.716 0.020 1 722 68 68 THR HG2 H 1.115 0.020 1 723 68 68 THR C C 174.054 0.3 1 724 68 68 THR CA C 60.445 0.3 1 725 68 68 THR CB C 67.177 0.3 1 726 68 68 THR CG2 C 21.887 0.3 1 727 68 68 THR N N 115.421 0.3 1 728 69 69 THR H H 7.063 0.020 1 729 69 69 THR HA H 4.065 0.020 1 730 69 69 THR HB H 4.403 0.020 1 731 69 69 THR HG2 H 1.394 0.020 1 732 69 69 THR C C 177.184 0.3 1 733 69 69 THR CA C 62.011 0.3 1 734 69 69 THR CB C 71.013 0.3 1 735 69 69 THR CG2 C 22.122 0.3 1 736 69 69 THR N N 110.954 0.3 1 737 70 70 PHE H H 8.033 0.020 1 738 70 70 PHE HA H 4.256 0.020 1 739 70 70 PHE HB2 H 3.253 0.020 1 740 70 70 PHE HB3 H 3.253 0.020 1 741 70 70 PHE HD1 H 7.312 0.020 1 742 70 70 PHE HD2 H 7.312 0.020 1 743 70 70 PHE HE1 H 7.312 0.020 1 744 70 70 PHE HE2 H 7.312 0.020 1 745 70 70 PHE C C 179.029 0.3 1 746 70 70 PHE CA C 62.559 0.3 1 747 70 70 PHE CB C 38.371 0.3 1 748 70 70 PHE CD1 C 133.592 0.3 1 749 70 70 PHE CD2 C 133.592 0.3 1 750 70 70 PHE CE1 C 133.592 0.3 1 751 70 70 PHE CE2 C 133.592 0.3 1 752 70 70 PHE N N 111.483 0.3 1 753 71 71 MET H H 8.671 0.020 1 754 71 71 MET HA H 4.055 0.020 1 755 71 71 MET HB2 H 2.065 0.020 1 756 71 71 MET HB3 H 2.065 0.020 1 757 71 71 MET HG2 H 2.425 0.020 1 758 71 71 MET HG3 H 2.425 0.020 1 759 71 71 MET C C 179.372 0.3 1 760 71 71 MET CA C 58.488 0.3 1 761 71 71 MET CB C 31.036 0.3 1 762 71 71 MET CG C 32.131 0.3 1 763 71 71 MET N N 121.809 0.3 1 764 72 72 ASN H H 8.817 0.020 1 765 72 72 ASN HA H 4.157 0.020 1 766 72 72 ASN HB2 H 2.888 0.020 1 767 72 72 ASN HB3 H 2.888 0.020 1 768 72 72 ASN C C 173.454 0.3 1 769 72 72 ASN CA C 54.809 0.3 1 770 72 72 ASN CB C 36.805 0.3 1 771 72 72 ASN N N 115.648 0.3 1 772 73 73 LEU H H 7.362 0.020 1 773 73 73 LEU HA H 4.973 0.020 1 774 73 73 LEU HB2 H 1.870 0.020 2 775 73 73 LEU HB3 H 1.454 0.020 2 776 73 73 LEU HG H 1.625 0.020 1 777 73 73 LEU HD1 H 0.960 0.020 1 778 73 73 LEU HD2 H 0.892 0.020 1 779 73 73 LEU C C 177.485 0.3 1 780 73 73 LEU CA C 53.870 0.3 1 781 73 73 LEU CB C 43.537 0.3 1 782 73 73 LEU CG C 27.283 0.3 1 783 73 73 LEU CD1 C 25.562 0.3 1 784 73 73 LEU CD2 C 23.999 0.3 1 785 73 73 LEU N N 119.077 0.3 1 786 74 74 SER H H 7.499 0.020 1 787 74 74 SER HA H 4.084 0.020 1 788 74 74 SER HB2 H 3.796 0.020 2 789 74 74 SER HB3 H 3.664 0.020 2 790 74 74 SER C C 175.640 0.3 1 791 74 74 SER CA C 63.498 0.3 1 792 74 74 SER CB C 66.081 0.3 1 793 74 74 SER N N 114.067 0.3 1 794 75 75 GLY H H 10.017 0.020 1 795 75 75 GLY HA2 H 3.461 0.020 2 796 75 75 GLY HA3 H 3.461 0.020 2 797 75 75 GLY C C 174.954 0.3 1 798 75 75 GLY CA C 47.999 0.3 1 799 75 75 GLY N N 107.827 0.3 1 800 76 76 LYS H H 7.975 0.020 1 801 76 76 LYS HA H 3.973 0.020 1 802 76 76 LYS HB2 H 1.743 0.020 2 803 76 76 LYS HB3 H 1.572 0.020 2 804 76 76 LYS HG2 H 1.090 0.020 2 805 76 76 LYS HG3 H 0.969 0.020 2 806 76 76 LYS HD2 H 1.368 0.020 2 807 76 76 LYS HD3 H 1.301 0.020 2 808 76 76 LYS HE2 H 2.662 0.020 1 809 76 76 LYS HE3 H 2.662 0.020 1 810 76 76 LYS C C 179.051 0.3 1 811 76 76 LYS CA C 59.271 0.3 1 812 76 76 LYS CB C 32.813 0.3 1 813 76 76 LYS CG C 24.233 0.3 1 814 76 76 LYS CD C 29.863 0.3 1 815 76 76 LYS CE C 41.201 0.3 1 816 76 76 LYS N N 120.250 0.3 1 817 77 77 ALA H H 6.824 0.020 1 818 77 77 ALA HA H 4.438 0.020 1 819 77 77 ALA HB H 1.820 0.020 1 820 77 77 ALA C C 177.463 0.3 1 821 77 77 ALA CA C 54.966 0.3 1 822 77 77 ALA CB C 20.758 0.3 1 823 77 77 ALA N N 121.046 0.3 1 824 78 78 ILE H H 7.124 0.020 1 825 78 78 ILE HA H 3.122 0.020 1 826 78 78 ILE HB H 1.533 0.020 1 827 78 78 ILE HG12 H 1.270 0.020 1 828 78 78 ILE HG13 H 1.270 0.020 1 829 78 78 ILE HG2 H 0.679 0.020 1 830 78 78 ILE HD1 H 0.734 0.020 1 831 78 78 ILE C C 177.163 0.3 1 832 78 78 ILE CA C 65.846 0.3 1 833 78 78 ILE CB C 39.154 0.3 1 834 78 78 ILE CG1 C 29.550 0.3 1 835 78 78 ILE CG2 C 17.196 0.3 1 836 78 78 ILE CD1 C 15.788 0.3 1 837 78 78 ILE N N 115.422 0.3 1 838 79 79 ALA H H 8.644 0.020 1 839 79 79 ALA HA H 3.936 0.020 1 840 79 79 ALA HB H 1.318 0.020 1 841 79 79 ALA C C 179.329 0.3 1 842 79 79 ALA CA C 55.044 0.3 1 843 79 79 ALA CB C 18.410 0.3 1 844 79 79 ALA N N 117.952 0.3 1 845 80 80 ALA H H 7.442 0.020 1 846 80 80 ALA HA H 4.307 0.020 1 847 80 80 ALA HB H 1.950 0.020 1 848 80 80 ALA C C 180.616 0.3 1 849 80 80 ALA CA C 55.592 0.3 1 850 80 80 ALA CB C 18.723 0.3 1 851 80 80 ALA N N 118.796 0.3 1 852 81 81 LEU H H 7.953 0.020 1 853 81 81 LEU HA H 3.604 0.020 1 854 81 81 LEU HB2 H 1.512 0.020 2 855 81 81 LEU HB3 H 1.313 0.020 2 856 81 81 LEU HG H 1.121 0.020 1 857 81 81 LEU HD1 H 0.727 0.020 1 858 81 81 LEU HD2 H 0.581 0.020 1 859 81 81 LEU C C 178.750 0.3 1 860 81 81 LEU CA C 59.271 0.3 1 861 81 81 LEU CB C 42.598 0.3 1 862 81 81 LEU CG C 27.361 0.3 1 863 81 81 LEU CD1 C 23.634 0.3 1 864 81 81 LEU CD2 C 23.634 0.3 1 865 81 81 LEU N N 119.878 0.3 1 866 82 82 ALA H H 8.906 0.020 1 867 82 82 ALA HA H 3.883 0.020 1 868 82 82 ALA HB H 1.368 0.020 1 869 82 82 ALA C C 180.273 0.3 1 870 82 82 ALA CA C 56.140 0.3 1 871 82 82 ALA CB C 17.236 0.3 1 872 82 82 ALA N N 120.764 0.3 1 873 83 83 ASN H H 8.644 0.020 1 874 83 83 ASN HA H 4.526 0.020 1 875 83 83 ASN HB2 H 3.045 0.020 2 876 83 83 ASN HB3 H 2.802 0.020 2 877 83 83 ASN C C 178.085 0.3 1 878 83 83 ASN CA C 55.827 0.3 1 879 83 83 ASN CB C 38.371 0.3 1 880 83 83 ASN N N 113.733 0.3 1 881 84 84 PHE H H 7.621 0.020 1 882 84 84 PHE HA H 4.061 0.020 1 883 84 84 PHE HB2 H 3.422 0.020 2 884 84 84 PHE HB3 H 2.917 0.020 2 885 84 84 PHE HD1 H 6.307 0.020 1 886 84 84 PHE HD2 H 6.307 0.020 1 887 84 84 PHE HE1 H 5.989 0.020 3 888 84 84 PHE HE2 H 5.989 0.020 3 889 84 84 PHE C C 177.164 0.3 1 890 84 84 PHE CA C 62.089 0.3 1 891 84 84 PHE CB C 40.406 0.3 1 892 84 84 PHE CD1 C 132.082 0.3 1 893 84 84 PHE CD2 C 132.082 0.3 1 894 84 84 PHE CE1 C 129.301 0.3 1 895 84 84 PHE CE2 C 129.301 0.3 1 896 84 84 PHE N N 121.327 0.3 1 897 85 85 TYR H H 7.578 0.020 1 898 85 85 TYR HA H 4.507 0.020 1 899 85 85 TYR HB2 H 3.485 0.020 2 900 85 85 TYR HB3 H 3.488 0.020 2 901 85 85 TYR HD1 H 7.130 0.020 1 902 85 85 TYR HD2 H 7.130 0.020 1 903 85 85 TYR HE1 H 6.794 0.020 1 904 85 85 TYR HE2 H 6.794 0.020 1 905 85 85 TYR C C 173.732 0.3 1 906 85 85 TYR CA C 59.193 0.3 1 907 85 85 TYR CB C 38.919 0.3 1 908 85 85 TYR CD1 C 135.515 0.3 1 909 85 85 TYR CD2 C 135.515 0.3 1 910 85 85 TYR CE1 C 118.353 0.3 1 911 85 85 TYR CE2 C 118.353 0.3 1 912 85 85 TYR N N 112.890 0.3 1 913 86 86 GLN H H 7.691 0.020 1 914 86 86 GLN HA H 3.943 0.020 1 915 86 86 GLN HB2 H 2.331 0.020 2 916 86 86 GLN HB3 H 2.122 0.020 2 917 86 86 GLN HG2 H 2.240 0.020 2 918 86 86 GLN HG3 H 2.205 0.020 2 919 86 86 GLN C C 174.675 0.3 1 920 86 86 GLN CA C 57.236 0.3 1 921 86 86 GLN CB C 25.846 0.3 1 922 86 86 GLN CG C 34.320 0.3 1 923 86 86 GLN N N 117.671 0.3 1 924 87 87 ILE H H 8.786 0.020 1 925 87 87 ILE HA H 3.997 0.020 1 926 87 87 ILE HB H 1.470 0.020 1 927 87 87 ILE HG12 H 1.219 0.020 1 928 87 87 ILE HG13 H 1.219 0.020 1 929 87 87 ILE HG2 H 0.947 0.020 1 930 87 87 ILE HD1 H 0.710 0.020 1 931 87 87 ILE C C 175.597 0.3 1 932 87 87 ILE CA C 61.619 0.3 1 933 87 87 ILE CB C 40.484 0.3 1 934 87 87 ILE CG1 C 28.065 0.3 1 935 87 87 ILE CG2 C 18.838 0.3 1 936 87 87 ILE CD1 C 14.224 0.3 1 937 87 87 ILE N N 122.171 0.3 1 938 88 88 LYS H H 8.957 0.020 1 939 88 88 LYS HA H 3.921 0.020 1 940 88 88 LYS CA C 54.887 0.3 1 941 88 88 LYS CB C 31.639 0.3 1 942 88 88 LYS N N 128.639 0.3 1 943 89 89 PRO HA H 4.020 0.020 1 944 89 89 PRO HB2 H 2.210 0.020 1 945 89 89 PRO HB3 H 2.210 0.020 1 946 89 89 PRO HG2 H 1.802 0.020 1 947 89 89 PRO HG3 H 1.802 0.020 1 948 89 89 PRO C C 176.542 0.3 1 949 89 89 PRO CA C 66.297 0.3 1 950 89 89 PRO CB C 31.703 0.3 1 951 89 89 PRO CG C 29.026 0.3 1 952 90 90 GLU H H 9.328 0.020 1 953 90 90 GLU HA H 4.308 0.020 1 954 90 90 GLU HB2 H 2.046 0.020 1 955 90 90 GLU HB3 H 2.046 0.020 1 956 90 90 GLU HG2 H 2.386 0.020 2 957 90 90 GLU HG3 H 2.320 0.020 2 958 90 90 GLU C C 176.241 0.3 1 959 90 90 GLU CA C 59.036 0.3 1 960 90 90 GLU CB C 28.508 0.3 1 961 90 90 GLU CG C 36.979 0.3 1 962 90 90 GLU N N 111.202 0.3 1 963 91 91 GLU H H 8.101 0.020 1 964 91 91 GLU HA H 4.932 0.020 1 965 91 91 GLU HB2 H 2.347 0.020 2 966 91 91 GLU HB3 H 2.070 0.020 2 967 91 91 GLU HG2 H 2.520 0.020 1 968 91 91 GLU HG3 H 2.520 0.020 1 969 91 91 GLU C C 175.254 0.3 1 970 91 91 GLU CA C 54.653 0.3 1 971 91 91 GLU CB C 30.856 0.3 1 972 91 91 GLU CG C 36.979 0.3 1 973 91 91 GLU N N 116.265 0.3 1 974 92 92 ILE H H 8.042 0.020 1 975 92 92 ILE HA H 4.234 0.020 1 976 92 92 ILE HB H 2.122 0.020 1 977 92 92 ILE HG12 H 1.064 0.020 2 978 92 92 ILE HG13 H 1.003 0.020 2 979 92 92 ILE HG2 H 0.607 0.020 1 980 92 92 ILE HD1 H 0.499 0.020 1 981 92 92 ILE C C 173.710 0.3 1 982 92 92 ILE CA C 60.837 0.3 1 983 92 92 ILE CB C 40.171 0.3 1 984 92 92 ILE CG1 C 27.283 0.3 1 985 92 92 ILE CG2 C 17.039 0.3 1 986 92 92 ILE CD1 C 13.755 0.3 1 987 92 92 ILE N N 122.683 0.3 1 988 93 93 MET H H 9.187 0.020 1 989 93 93 MET HA H 5.215 0.020 1 990 93 93 MET HB2 H 2.071 0.020 2 991 93 93 MET HB3 H 1.959 0.020 2 992 93 93 MET HG2 H 1.834 0.020 1 993 93 93 MET HG3 H 1.834 0.020 1 994 93 93 MET C C 173.454 0.3 1 995 93 93 MET CA C 53.322 0.3 1 996 93 93 MET CB C 36.570 0.3 1 997 93 93 MET CG C 31.740 0.3 1 998 93 93 MET N N 125.264 0.3 1 999 94 94 VAL H H 9.406 0.020 1 1000 94 94 VAL HA H 4.598 0.020 1 1001 94 94 VAL HB H 2.188 0.020 1 1002 94 94 VAL HG1 H 0.731 0.020 1 1003 94 94 VAL HG2 H 0.575 0.020 1 1004 94 94 VAL C C 174.675 0.3 1 1005 94 94 VAL CA C 61.306 0.3 1 1006 94 94 VAL CB C 33.518 0.3 1 1007 94 94 VAL CG1 C 22.200 0.3 1 1008 94 94 VAL CG2 C 22.200 0.3 1 1009 94 94 VAL N N 128.639 0.3 1 1010 95 95 ALA H H 10.008 0.020 1 1011 95 95 ALA HA H 5.735 0.020 1 1012 95 95 ALA HB H 1.402 0.020 1 1013 95 95 ALA C C 175.640 0.3 1 1014 95 95 ALA CA C 50.191 0.3 1 1015 95 95 ALA CB C 20.210 0.3 1 1016 95 95 ALA N N 132.577 0.3 1 1017 96 96 HIS H H 8.972 0.020 1 1018 96 96 HIS HA H 5.347 0.020 1 1019 96 96 HIS HB2 H 2.764 0.020 2 1020 96 96 HIS HB3 H 2.592 0.020 2 1021 96 96 HIS HD2 H 6.827 0.020 1 1022 96 96 HIS C C 171.543 0.3 1 1023 96 96 HIS CA C 53.870 0.3 1 1024 96 96 HIS CB C 32.578 0.3 1 1025 96 96 HIS CD2 C 121.011 0.3 1 1026 96 96 HIS N N 119.077 0.3 1 1027 97 97 ASP H H 10.517 0.020 1 1028 97 97 ASP HA H 4.695 0.020 1 1029 97 97 ASP HB2 H 3.108 0.020 2 1030 97 97 ASP HB3 H 2.486 0.020 2 1031 97 97 ASP C C 178.064 0.3 1 1032 97 97 ASP CA C 53.635 0.3 1 1033 97 97 ASP CB C 40.249 0.3 1 1034 97 97 ASP N N 115.983 0.3 1 1035 98 98 GLU H H 9.194 0.020 1 1036 98 98 GLU HA H 5.155 0.020 1 1037 98 98 GLU HB2 H 1.544 0.020 1 1038 98 98 GLU HB3 H 1.544 0.020 1 1039 98 98 GLU HG2 H 2.028 0.020 1 1040 98 98 GLU HG3 H 2.028 0.020 1 1041 98 98 GLU C C 174.932 0.3 1 1042 98 98 GLU CA C 53.635 0.3 1 1043 98 98 GLU CB C 33.439 0.3 1 1044 98 98 GLU CG C 37.370 0.3 1 1045 98 98 GLU N N 127.233 0.3 1 1046 99 99 LEU H H 8.692 0.020 1 1047 99 99 LEU HA H 4.626 0.020 1 1048 99 99 LEU HB2 H 1.586 0.020 1 1049 99 99 LEU HB3 H 1.586 0.020 1 1050 99 99 LEU HG H 1.854 0.020 1 1051 99 99 LEU HD1 H 1.111 0.020 1 1052 99 99 LEU HD2 H 0.964 0.020 1 1053 99 99 LEU C C 178.128 0.3 1 1054 99 99 LEU CA C 57.001 0.3 1 1055 99 99 LEU CB C 44.555 0.3 1 1056 99 99 LEU CG C 27.595 0.3 1 1057 99 99 LEU CD1 C 24.390 0.3 1 1058 99 99 LEU CD2 C 24.390 0.3 1 1059 99 99 LEU N N 132.858 0.3 1 1060 100 100 ASP H H 9.191 0.020 1 1061 100 100 ASP HA H 4.611 0.020 1 1062 100 100 ASP HB2 H 2.751 0.020 2 1063 100 100 ASP HB3 H 2.470 0.020 2 1064 100 100 ASP C C 175.276 0.3 1 1065 100 100 ASP CA C 54.966 0.3 1 1066 100 100 ASP CB C 40.876 0.3 1 1067 100 100 ASP N N 113.733 0.3 1 1068 101 101 LEU H H 7.427 0.020 1 1069 101 101 LEU HA H 4.801 0.020 1 1070 101 101 LEU HB2 H 2.243 0.020 2 1071 101 101 LEU HB3 H 1.526 0.020 2 1072 101 101 LEU HG H 1.220 0.020 1 1073 101 101 LEU HD1 H 0.930 0.020 1 1074 101 101 LEU HD2 H 0.610 0.020 1 1075 101 101 LEU C C 172.522 0.3 1 1076 101 101 LEU CA C 51.365 0.3 1 1077 101 101 LEU CB C 45.338 0.3 1 1078 101 101 LEU N N 119.932 0.3 1 1079 103 103 PRO HA H 4.481 0.020 1 1080 103 103 PRO HB2 H 2.131 0.020 1 1081 103 103 PRO HB3 H 2.131 0.020 1 1082 103 103 PRO HG2 H 1.873 0.020 1 1083 103 103 PRO HG3 H 1.873 0.020 1 1084 103 103 PRO C C 178.429 0.3 1 1085 103 103 PRO CA C 62.922 0.3 1 1086 103 103 PRO CB C 31.422 0.3 1 1087 103 103 PRO CG C 28.203 0.3 1 1088 104 104 GLY H H 9.826 0.020 1 1089 104 104 GLY HA2 H 3.843 0.020 2 1090 104 104 GLY HA3 H 3.738 0.020 2 1091 104 104 GLY C C 172.144 0.3 1 1092 104 104 GLY CA C 45.964 0.3 1 1093 104 104 GLY N N 113.733 0.3 1 1094 105 105 VAL H H 7.518 0.020 1 1095 105 105 VAL HA H 4.704 0.020 1 1096 105 105 VAL HB H 2.208 0.020 1 1097 105 105 VAL HG1 H 1.072 0.020 1 1098 105 105 VAL HG2 H 1.000 0.020 1 1099 105 105 VAL C C 174.654 0.3 1 1100 105 105 VAL CA C 60.523 0.3 1 1101 105 105 VAL CB C 34.927 0.3 1 1102 105 105 VAL CG1 C 22.044 0.3 1 1103 105 105 VAL CG2 C 22.044 0.3 1 1104 105 105 VAL N N 116.265 0.3 1 1105 106 106 ALA H H 9.484 0.020 1 1106 106 106 ALA HA H 5.415 0.020 1 1107 106 106 ALA HB H 1.184 0.020 1 1108 106 106 ALA C C 174.954 0.3 1 1109 106 106 ALA CA C 51.521 0.3 1 1110 106 106 ALA CB C 23.733 0.3 1 1111 106 106 ALA N N 129.764 0.3 1 1112 107 107 LYS H H 8.184 0.020 1 1113 107 107 LYS HA H 4.921 0.020 1 1114 107 107 LYS HB2 H 1.756 0.020 1 1115 107 107 LYS HB3 H 1.756 0.020 1 1116 107 107 LYS HG2 H 1.210 0.020 1 1117 107 107 LYS HG3 H 1.210 0.020 1 1118 107 107 LYS HD2 H 1.544 0.020 1 1119 107 107 LYS HD3 H 1.544 0.020 1 1120 107 107 LYS C C 176.262 0.3 1 1121 107 107 LYS CA C 54.574 0.3 1 1122 107 107 LYS CB C 39.623 0.3 1 1123 107 107 LYS CG C 26.606 0.3 1 1124 107 107 LYS CD C 29.120 0.3 1 1125 107 107 LYS CE C 42.380 0.3 1 1126 107 107 LYS N N 113.733 0.3 1 1127 108 108 PHE H H 11.610 0.020 1 1128 108 108 PHE HA H 6.021 0.020 1 1129 108 108 PHE HB2 H 3.203 0.020 2 1130 108 108 PHE HB3 H 3.125 0.020 2 1131 108 108 PHE HD1 H 7.190 0.020 1 1132 108 108 PHE HD2 H 7.190 0.020 1 1133 108 108 PHE HE1 H 6.948 0.020 1 1134 108 108 PHE HE2 H 6.948 0.020 1 1135 108 108 PHE C C 177.828 0.3 1 1136 108 108 PHE CA C 56.688 0.3 1 1137 108 108 PHE CB C 42.128 0.3 1 1138 108 108 PHE CD1 C 131.461 0.3 1 1139 108 108 PHE CD2 C 131.461 0.3 1 1140 108 108 PHE CE1 C 132.566 0.3 1 1141 108 108 PHE CE2 C 132.566 0.3 1 1142 108 108 PHE N N 122.733 0.3 1 1143 109 109 LYS H H 9.275 0.020 1 1144 109 109 LYS HA H 4.603 0.020 1 1145 109 109 LYS HB2 H 1.896 0.020 2 1146 109 109 LYS HB3 H 1.727 0.020 2 1147 109 109 LYS HG2 H 1.378 0.020 1 1148 109 109 LYS HG3 H 1.378 0.020 1 1149 109 109 LYS HD2 H 1.654 0.020 2 1150 109 109 LYS HD3 H 1.654 0.020 2 1151 109 109 LYS HE2 H 2.980 0.020 1 1152 109 109 LYS HE3 H 2.980 0.020 1 1153 109 109 LYS C C 173.152 0.3 1 1154 109 109 LYS CA C 56.218 0.3 1 1155 109 109 LYS CB C 38.449 0.3 1 1156 109 109 LYS CG C 24.859 0.3 1 1157 109 109 LYS CD C 29.629 0.3 1 1158 109 109 LYS CE C 42.843 0.3 1 1159 109 109 LYS N N 122.733 0.3 1 1160 110 110 GLN H H 8.910 0.020 1 1161 110 110 GLN HA H 4.126 0.020 1 1162 110 110 GLN HB2 H 1.303 0.020 1 1163 110 110 GLN HB3 H 1.303 0.020 1 1164 110 110 GLN HG2 H 1.576 0.020 1 1165 110 110 GLN HG3 H 1.576 0.020 1 1166 110 110 GLN C C 175.040 0.3 1 1167 110 110 GLN CA C 55.891 0.3 1 1168 110 110 GLN CB C 29.447 0.3 1 1169 110 110 GLN CG C 33.225 0.3 1 1170 110 110 GLN N N 126.952 0.3 1 1171 111 111 GLY H H 7.170 0.020 1 1172 111 111 GLY HA2 H 4.034 0.020 2 1173 111 111 GLY HA3 H 3.738 0.020 2 1174 111 111 GLY C C 171.543 0.3 1 1175 111 111 GLY CA C 44.633 0.3 1 1176 111 111 GLY N N 113.910 0.3 1 1177 112 112 GLY H H 7.634 0.020 1 1178 112 112 GLY HA2 H 4.273 0.020 2 1179 112 112 GLY HA3 H 3.595 0.020 2 1180 112 112 GLY C C 174.954 0.3 1 1181 112 112 GLY CA C 43.381 0.3 1 1182 112 112 GLY N N 102.365 0.3 1 1183 113 113 GLY H H 8.109 0.020 1 1184 113 113 GLY HA2 H 4.134 0.020 2 1185 113 113 GLY HA3 H 3.695 0.020 2 1186 113 113 GLY C C 174.737 0.3 1 1187 113 113 GLY CA C 44.405 0.3 1 1188 113 113 GLY N N 104.247 0.3 1 1189 114 114 HIS H H 7.472 0.020 1 1190 114 114 HIS HA H 4.521 0.020 1 1191 114 114 HIS HB2 H 2.603 0.020 1 1192 114 114 HIS HB3 H 2.603 0.020 1 1193 114 114 HIS CA C 55.197 0.3 1 1194 114 114 HIS CB C 31.659 0.3 1 1195 114 114 HIS N N 114.133 0.3 1 1196 115 115 GLY H H 8.472 0.020 1 1197 115 115 GLY HA2 H 4.049 0.020 2 1198 115 115 GLY HA3 H 3.852 0.020 2 1199 115 115 GLY C C 175.298 0.3 1 1200 115 115 GLY CA C 46.908 0.3 1 1201 115 115 GLY N N 111.756 0.3 1 1202 116 116 GLY H H 11.124 0.020 1 1203 116 116 GLY HA2 H 4.307 0.020 2 1204 116 116 GLY HA3 H 3.727 0.020 2 1205 116 116 GLY C C 174.010 0.3 1 1206 116 116 GLY CA C 44.718 0.3 1 1207 116 116 GLY N N 112.890 0.3 1 1208 117 117 HIS H H 8.275 0.020 1 1209 117 117 HIS HA H 4.534 0.020 1 1210 117 117 HIS HB2 H 3.543 0.020 2 1211 117 117 HIS HB3 H 3.177 0.020 2 1212 117 117 HIS HD2 H 7.736 0.020 1 1213 117 117 HIS C C 177.485 0.3 1 1214 117 117 HIS CA C 57.152 0.3 1 1215 117 117 HIS CB C 32.422 0.3 1 1216 117 117 HIS CD2 C 119.398 0.3 1 1217 117 117 HIS N N 124.702 0.3 1 1218 118 118 ASN HA H 4.353 0.020 1 1219 118 118 ASN HB2 H 2.759 0.020 1 1220 118 118 ASN HB3 H 2.759 0.020 1 1221 118 118 ASN C C 178.751 0.3 1 1222 118 118 ASN CA C 56.610 0.3 1 1223 118 118 ASN CB C 38.214 0.3 1 1224 119 119 GLY H H 9.608 0.020 1 1225 119 119 GLY HA2 H 4.314 0.020 2 1226 119 119 GLY HA3 H 3.973 0.020 2 1227 119 119 GLY C C 177.163 0.3 1 1228 119 119 GLY CA C 47.373 0.3 1 1229 119 119 GLY N N 112.608 0.3 1 1230 120 120 LEU H H 8.199 0.020 1 1231 120 120 LEU HA H 3.973 0.020 1 1232 120 120 LEU HB2 H 2.289 0.020 2 1233 120 120 LEU HB3 H 2.287 0.020 2 1234 120 120 LEU HG H 1.207 0.020 1 1235 120 120 LEU HD1 H 0.158 0.020 1 1236 120 120 LEU HD2 H 0.588 0.020 1 1237 120 120 LEU C C 178.729 0.3 1 1238 120 120 LEU CA C 57.940 0.3 1 1239 120 120 LEU CB C 42.833 0.3 1 1240 120 120 LEU CG C 26.814 0.3 1 1241 120 120 LEU CD1 C 24.233 0.3 1 1242 120 120 LEU CD2 C 22.982 0.3 1 1243 120 120 LEU N N 125.827 0.3 1 1244 121 121 LYS H H 8.760 0.020 1 1245 121 121 LYS HA H 3.681 0.020 1 1246 121 121 LYS HB2 H 1.715 0.020 1 1247 121 121 LYS HB3 H 1.715 0.020 1 1248 121 121 LYS HG2 H 0.970 0.020 1 1249 121 121 LYS HG3 H 0.970 0.020 1 1250 121 121 LYS HD2 H 1.252 0.020 1 1251 121 121 LYS HD3 H 1.252 0.020 1 1252 121 121 LYS HE2 H 2.671 0.020 1 1253 121 121 LYS HE3 H 2.671 0.020 1 1254 121 121 LYS C C 178.708 0.3 1 1255 121 121 LYS CA C 60.837 0.3 1 1256 121 121 LYS CB C 33.204 0.3 1 1257 121 121 LYS CG C 24.624 0.3 1 1258 121 121 LYS CD C 29.629 0.3 1 1259 121 121 LYS CE C 42.061 0.3 1 1260 121 121 LYS N N 119.921 0.3 1 1261 122 122 ASP H H 7.245 0.020 1 1262 122 122 ASP HA H 4.550 0.020 1 1263 122 122 ASP HB2 H 2.866 0.020 2 1264 122 122 ASP HB3 H 2.267 0.020 2 1265 122 122 ASP C C 178.107 0.3 1 1266 122 122 ASP CA C 58.175 0.3 1 1267 122 122 ASP CB C 43.694 0.3 1 1268 122 122 ASP N N 117.389 0.3 1 1269 123 123 THR H H 7.639 0.020 1 1270 123 123 THR HA H 3.830 0.020 1 1271 123 123 THR HB H 4.039 0.020 1 1272 123 123 THR HG2 H 1.206 0.020 1 1273 123 123 THR C C 174.696 0.3 1 1274 123 123 THR CA C 69.447 0.3 1 1275 123 123 THR CB C 67.803 0.3 1 1276 123 123 THR CG2 C 22.278 0.3 1 1277 123 123 THR N N 116.546 0.3 1 1278 124 124 ILE H H 8.078 0.020 1 1279 124 124 ILE HA H 4.393 0.020 1 1280 124 124 ILE HB H 2.007 0.020 1 1281 124 124 ILE HG12 H 0.794 0.020 2 1282 124 124 ILE HG13 H 0.697 0.020 2 1283 124 124 ILE HG2 H 1.440 0.020 1 1284 124 124 ILE HD1 H 0.455 0.020 1 1285 124 124 ILE C C 179.051 0.3 1 1286 124 124 ILE CA C 65.453 0.3 1 1287 124 124 ILE CB C 39.578 0.3 1 1288 124 124 ILE CG1 C 28.768 0.3 1 1289 124 124 ILE CG2 C 17.274 0.3 1 1290 124 124 ILE CD1 C 13.052 0.3 1 1291 124 124 ILE N N 118.736 0.3 1 1292 125 125 SER H H 7.397 0.020 1 1293 125 125 SER HA H 4.177 0.020 1 1294 125 125 SER HB2 H 4.038 0.020 1 1295 125 125 SER HB3 H 4.038 0.020 1 1296 125 125 SER C C 178.729 0.3 1 1297 125 125 SER CA C 61.619 0.3 1 1298 125 125 SER CB C 63.263 0.3 1 1299 125 125 SER N N 110.921 0.3 1 1300 126 126 LYS H H 8.457 0.020 1 1301 126 126 LYS HA H 4.247 0.020 1 1302 126 126 LYS HB2 H 1.962 0.020 2 1303 126 126 LYS HB3 H 1.829 0.020 2 1304 126 126 LYS HG2 H 1.502 0.020 2 1305 126 126 LYS HG3 H 1.394 0.020 2 1306 126 126 LYS HD2 H 1.741 0.020 1 1307 126 126 LYS HD3 H 1.741 0.020 1 1308 126 126 LYS HE2 H 3.004 0.020 1 1309 126 126 LYS HE3 H 3.004 0.020 1 1310 126 126 LYS C C 178.407 0.3 1 1311 126 126 LYS CA C 58.019 0.3 1 1312 126 126 LYS CB C 31.874 0.3 1 1313 126 126 LYS CG C 26.301 0.3 1 1314 126 126 LYS CD C 27.749 0.3 1 1315 126 126 LYS CE C 40.703 0.3 1 1316 126 126 LYS N N 119.572 0.3 1 1317 127 127 LEU H H 7.753 0.020 1 1318 127 127 LEU HA H 4.565 0.020 1 1319 127 127 LEU HB2 H 2.016 0.020 2 1320 127 127 LEU HB3 H 1.758 0.020 2 1321 127 127 LEU HG H 1.758 0.020 1 1322 127 127 LEU HD1 H 0.559 0.020 1 1323 127 127 LEU HD2 H 0.559 0.020 1 1324 127 127 LEU C C 176.542 0.3 1 1325 127 127 LEU CA C 54.291 0.3 1 1326 127 127 LEU CB C 40.451 0.3 1 1327 127 127 LEU CG C 26.301 0.3 1 1328 127 127 LEU CD1 C 21.119 0.3 1 1329 127 127 LEU CD2 C 21.119 0.3 1 1330 127 127 LEU N N 119.633 0.3 1 1331 128 128 GLY H H 7.773 0.020 1 1332 128 128 GLY HA2 H 4.056 0.020 2 1333 128 128 GLY HA3 H 3.877 0.020 2 1334 128 128 GLY C C 179.094 0.3 1 1335 128 128 GLY CA C 46.903 0.3 1 1336 128 128 GLY N N 107.827 0.3 1 1337 129 129 ASN H H 8.246 0.020 1 1338 129 129 ASN HA H 4.352 0.020 1 1339 129 129 ASN HB2 H 3.099 0.020 2 1340 129 129 ASN HB3 H 2.773 0.020 2 1341 129 129 ASN C C 175.028 0.3 1 1342 129 129 ASN CA C 54.261 0.3 1 1343 129 129 ASN CB C 37.040 0.3 1 1344 129 129 ASN N N 115.879 0.3 1 1345 131 131 LYS HA H 4.694 0.020 1 1346 131 131 LYS HE2 H 3.860 0.020 1 1347 131 131 LYS HE3 H 3.860 0.020 1 1348 131 131 LYS C C 178.450 0.3 1 1349 131 131 LYS CA C 56.554 0.3 1 1350 131 131 LYS CB C 33.204 0.3 1 1351 132 132 GLU H H 8.699 0.020 1 1352 132 132 GLU HA H 3.873 0.020 1 1353 132 132 GLU HB2 H 2.008 0.020 1 1354 132 132 GLU HB3 H 2.008 0.020 1 1355 132 132 GLU HG2 H 2.352 0.020 2 1356 132 132 GLU HG3 H 2.216 0.020 2 1357 132 132 GLU C C 175.318 0.3 1 1358 132 132 GLU CA C 56.923 0.3 1 1359 132 132 GLU CB C 27.803 0.3 1 1360 132 132 GLU CG C 35.571 0.3 1 1361 132 132 GLU N N 119.297 0.3 1 1362 133 133 PHE H H 6.669 0.020 1 1363 133 133 PHE HA H 5.067 0.020 1 1364 133 133 PHE HB2 H 3.442 0.020 2 1365 133 133 PHE HB3 H 3.030 0.020 2 1366 133 133 PHE HD1 H 7.197 0.020 1 1367 133 133 PHE HD2 H 7.197 0.020 1 1368 133 133 PHE HE1 H 7.198 0.020 1 1369 133 133 PHE HE2 H 7.198 0.020 1 1370 133 133 PHE C C 177.785 0.3 1 1371 133 133 PHE CA C 55.201 0.3 1 1372 133 133 PHE CB C 40.249 0.3 1 1373 133 133 PHE CD1 C 130.655 0.3 1 1374 133 133 PHE CD2 C 130.655 0.3 1 1375 133 133 PHE CE1 C 130.655 0.3 1 1376 133 133 PHE CE2 C 130.655 0.3 1 1377 133 133 PHE N N 114.296 0.3 1 1378 134 134 TYR H H 9.230 0.020 1 1379 134 134 TYR HA H 4.973 0.020 1 1380 134 134 TYR HB2 H 3.139 0.020 2 1381 134 134 TYR HB3 H 2.898 0.020 2 1382 134 134 TYR HD1 H 6.903 0.020 1 1383 134 134 TYR HD2 H 6.903 0.020 1 1384 134 134 TYR HE1 H 6.903 0.020 1 1385 134 134 TYR HE2 H 6.903 0.020 1 1386 134 134 TYR C C 176.219 0.3 1 1387 134 134 TYR CA C 59.506 0.3 1 1388 134 134 TYR CB C 41.658 0.3 1 1389 134 134 TYR CD1 C 129.117 0.3 1 1390 134 134 TYR CD2 C 129.117 0.3 1 1391 134 134 TYR CE1 C 118.709 0.3 1 1392 134 134 TYR CE2 C 118.709 0.3 1 1393 134 134 TYR N N 121.046 0.3 1 1394 135 135 ARG H H 9.896 0.020 1 1395 135 135 ARG HA H 5.908 0.020 1 1396 135 135 ARG HB2 H 1.930 0.020 1 1397 135 135 ARG HB3 H 1.930 0.020 1 1398 135 135 ARG HG2 H 1.530 0.020 2 1399 135 135 ARG HG3 H 1.528 0.020 2 1400 135 135 ARG HD2 H 2.949 0.020 2 1401 135 135 ARG HD3 H 2.657 0.020 2 1402 135 135 ARG C C 174.353 0.3 1 1403 135 135 ARG CA C 54.758 0.3 1 1404 135 135 ARG CB C 32.187 0.3 1 1405 135 135 ARG CG C 27.595 0.3 1 1406 135 135 ARG CD C 43.078 0.3 1 1407 135 135 ARG N N 119.639 0.3 1 1408 136 136 LEU H H 8.601 0.020 1 1409 136 136 LEU HA H 4.858 0.020 1 1410 136 136 LEU HB2 H 1.771 0.020 2 1411 136 136 LEU HB3 H 1.483 0.020 2 1412 136 136 LEU HG H 1.359 0.020 1 1413 136 136 LEU HD1 H 0.827 0.020 1 1414 136 136 LEU HD2 H 0.559 0.020 1 1415 136 136 LEU C C 173.131 0.3 1 1416 136 136 LEU CA C 54.731 0.3 1 1417 136 136 LEU CB C 42.989 0.3 1 1418 136 136 LEU CG C 26.188 0.3 1 1419 136 136 LEU CD1 C 23.217 0.3 1 1420 136 136 LEU CD2 C 23.217 0.3 1 1421 136 136 LEU N N 126.108 0.3 1 1422 137 137 ARG H H 9.230 0.020 1 1423 137 137 ARG HA H 3.540 0.020 1 1424 137 137 ARG HB2 H 2.085 0.020 2 1425 137 137 ARG HB3 H 1.729 0.020 2 1426 137 137 ARG HG2 H 1.449 0.020 1 1427 137 137 ARG HG3 H 1.449 0.020 1 1428 137 137 ARG HD2 H 2.888 0.020 1 1429 137 137 ARG HD3 H 2.888 0.020 1 1430 137 137 ARG C C 174.010 0.3 1 1431 137 137 ARG CA C 54.484 0.3 1 1432 137 137 ARG CB C 32.265 0.3 1 1433 137 137 ARG CG C 25.484 0.3 1 1434 137 137 ARG CD C 38.543 0.3 1 1435 137 137 ARG N N 124.421 0.3 1 1436 138 138 LEU H H 8.640 0.020 1 1437 138 138 LEU HA H 4.449 0.020 1 1438 138 138 LEU HB2 H 1.454 0.020 2 1439 138 138 LEU HB3 H 1.363 0.020 2 1440 138 138 LEU HG H 1.363 0.020 1 1441 138 138 LEU HD1 H 0.741 0.020 1 1442 138 138 LEU HD2 H 0.741 0.020 1 1443 138 138 LEU C C 175.940 0.3 1 1444 138 138 LEU CA C 53.870 0.3 1 1445 138 138 LEU CB C 41.580 0.3 1 1446 138 138 LEU CG C 27.986 0.3 1 1447 138 138 LEU CD1 C 25.719 0.3 1 1448 138 138 LEU CD2 C 24.937 0.3 1 1449 138 138 LEU N N 125.827 0.3 1 1450 139 139 GLY H H 8.578 0.020 1 1451 139 139 GLY HA2 H 4.252 0.020 2 1452 139 139 GLY HA3 H 3.494 0.020 2 1453 139 139 GLY C C 174.353 0.3 1 1454 139 139 GLY CA C 48.782 0.3 1 1455 139 139 GLY N N 113.171 0.3 1 1456 140 140 ILE H H 8.125 0.020 1 1457 140 140 ILE HA H 4.761 0.020 1 1458 140 140 ILE HB H 2.304 0.020 1 1459 140 140 ILE HG12 H 1.318 0.020 1 1460 140 140 ILE HG13 H 1.318 0.020 1 1461 140 140 ILE HG2 H 1.143 0.020 1 1462 140 140 ILE HD1 H 1.143 0.020 1 1463 140 140 ILE C C 178.707 0.3 1 1464 140 140 ILE CA C 60.837 0.3 1 1465 140 140 ILE CB C 42.050 0.3 1 1466 140 140 ILE CG1 C 25.797 0.3 1 1467 140 140 ILE CG2 C 16.961 0.3 1 1468 140 140 ILE N N 112.046 0.3 1 1469 141 141 GLY H H 9.411 0.020 1 1470 141 141 GLY HA2 H 4.231 0.020 2 1471 141 141 GLY HA3 H 3.812 0.020 2 1472 141 141 GLY C C 167.232 0.3 1 1473 141 141 GLY CA C 45.416 0.3 1 1474 141 141 GLY N N 116.265 0.3 1 1475 142 142 HIS H H 7.578 0.020 1 1476 142 142 HIS HA H 4.365 0.020 1 1477 142 142 HIS HB2 H 3.229 0.020 2 1478 142 142 HIS HB3 H 3.229 0.020 2 1479 142 142 HIS HD2 H 7.130 0.020 1 1480 142 142 HIS C C 175.640 0.3 1 1481 142 142 HIS CA C 53.087 0.3 1 1482 142 142 HIS CB C 34.613 0.3 1 1483 142 142 HIS CD2 C 119.249 0.3 1 1484 142 142 HIS N N 113.452 0.3 1 1485 143 143 PRO HA H 4.623 0.020 1 1486 143 143 PRO HB2 H 1.784 0.020 1 1487 143 143 PRO HB3 H 1.784 0.020 1 1488 143 143 PRO HG2 H 1.181 0.020 1 1489 143 143 PRO HG3 H 1.181 0.020 1 1490 143 143 PRO C C 176.842 0.3 1 1491 143 143 PRO CA C 62.922 0.3 1 1492 143 143 PRO CB C 32.828 0.3 1 1493 143 143 PRO CG C 26.283 0.3 1 1494 144 144 GLY H H 8.133 0.020 1 1495 144 144 GLY HA2 H 4.225 0.020 2 1496 144 144 GLY HA3 H 3.589 0.020 2 1497 144 144 GLY C C 173.411 0.3 1 1498 144 144 GLY CA C 45.221 0.3 1 1499 144 144 GLY N N 106.468 0.3 1 1500 145 145 HIS H H 7.067 0.020 1 1501 145 145 HIS HA H 4.534 0.020 1 1502 145 145 HIS HB2 H 3.034 0.020 2 1503 145 145 HIS HB3 H 2.851 0.020 2 1504 145 145 HIS C C 176.636 0.3 1 1505 145 145 HIS CA C 57.079 0.3 1 1506 145 145 HIS CB C 34.144 0.3 1 1507 145 145 HIS N N 117.271 0.3 1 1508 146 146 LYS HA H 4.242 0.020 1 1509 146 146 LYS HB2 H 1.948 0.020 2 1510 146 146 LYS HB3 H 1.819 0.020 2 1511 146 146 LYS C C 178.429 0.3 1 1512 146 146 LYS CA C 59.547 0.3 1 1513 146 146 LYS CB C 32.266 0.3 1 1514 147 147 ASP H H 10.805 0.020 1 1515 147 147 ASP HA H 4.637 0.020 1 1516 147 147 ASP HB2 H 2.803 0.020 1 1517 147 147 ASP HB3 H 2.803 0.020 1 1518 147 147 ASP C C 177.442 0.3 1 1519 147 147 ASP CA C 56.140 0.3 1 1520 147 147 ASP CB C 40.093 0.3 1 1521 147 147 ASP N N 122.171 0.3 1 1522 148 148 LYS H H 7.775 0.020 1 1523 148 148 LYS HA H 4.514 0.020 1 1524 148 148 LYS HB2 H 2.076 0.020 1 1525 148 148 LYS HB3 H 2.076 0.020 1 1526 148 148 LYS HG2 H 1.485 0.020 1 1527 148 148 LYS HG3 H 1.485 0.020 1 1528 148 148 LYS HD2 H 1.758 0.020 1 1529 148 148 LYS HD3 H 1.758 0.020 1 1530 148 148 LYS HE2 H 2.957 0.020 1 1531 148 148 LYS HE3 H 2.957 0.020 1 1532 148 148 LYS C C 177.163 0.3 1 1533 148 148 LYS CA C 55.827 0.3 1 1534 148 148 LYS CB C 34.613 0.3 1 1535 148 148 LYS CG C 25.641 0.3 1 1536 148 148 LYS CD C 29.316 0.3 1 1537 148 148 LYS CE C 41.998 0.3 1 1538 148 148 LYS N N 116.546 0.3 1 1539 149 149 VAL H H 7.366 0.020 1 1540 149 149 VAL HA H 3.245 0.020 1 1541 149 149 VAL HB H 2.107 0.020 1 1542 149 149 VAL HG1 H 0.952 0.020 1 1543 149 149 VAL HG2 H 0.898 0.020 1 1544 149 149 VAL C C 176.241 0.3 1 1545 149 149 VAL CA C 68.195 0.3 1 1546 149 149 VAL CB C 32.109 0.3 1 1547 149 149 VAL CG1 C 23.842 0.3 1 1548 149 149 VAL CG2 C 22.357 0.3 1 1549 149 149 VAL N N 121.046 0.3 1 1550 150 150 ALA H H 8.675 0.020 1 1551 150 150 ALA HA H 4.049 0.020 1 1552 150 150 ALA HB H 1.363 0.020 1 1553 150 150 ALA C C 180.016 0.3 1 1554 150 150 ALA CA C 55.827 0.3 1 1555 150 150 ALA CB C 17.627 0.3 1 1556 150 150 ALA N N 121.889 0.3 1 1557 151 151 GLY H H 8.366 0.020 1 1558 151 151 GLY HA2 H 3.876 0.020 2 1559 151 151 GLY HA3 H 3.740 0.020 2 1560 151 151 GLY C C 175.919 0.3 1 1561 151 151 GLY CA C 45.964 0.3 1 1562 151 151 GLY N N 102.202 0.3 1 1563 152 152 TYR H H 7.942 0.020 1 1564 152 152 TYR HA H 4.231 0.020 1 1565 152 152 TYR HB2 H 3.124 0.020 1 1566 152 152 TYR HB3 H 3.124 0.020 1 1567 152 152 TYR HD1 H 7.321 0.020 1 1568 152 152 TYR HD2 H 7.321 0.020 1 1569 152 152 TYR HE1 H 7.321 0.020 1 1570 152 152 TYR HE2 H 7.321 0.020 1 1571 152 152 TYR C C 179.694 0.3 1 1572 152 152 TYR CA C 61.385 0.3 1 1573 152 152 TYR CB C 40.484 0.3 1 1574 152 152 TYR CD1 C 137.224 0.3 1 1575 152 152 TYR CD2 C 137.224 0.3 1 1576 152 152 TYR CE1 C 116.293 0.3 1 1577 152 152 TYR CE2 C 116.293 0.3 1 1578 152 152 TYR N N 123.296 0.3 1 1579 153 153 VAL H H 8.618 0.020 1 1580 153 153 VAL HA H 4.028 0.020 1 1581 153 153 VAL HB H 1.847 0.020 1 1582 153 153 VAL HG1 H 1.104 0.020 1 1583 153 153 VAL HG2 H 0.514 0.020 1 1584 153 153 VAL C C 175.620 0.3 1 1585 153 153 VAL CA C 65.142 0.3 1 1586 153 153 VAL CB C 31.091 0.3 1 1587 153 153 VAL CG1 C 22.574 0.3 1 1588 153 153 VAL CG2 C 17.900 0.3 1 1589 153 153 VAL N N 112.890 0.3 1 1590 154 154 LEU H H 6.897 0.020 1 1591 154 154 LEU HA H 4.717 0.020 1 1592 154 154 LEU HB2 H 1.819 0.020 1 1593 154 154 LEU HB3 H 1.819 0.020 1 1594 154 154 LEU HG H 1.819 0.020 1 1595 154 154 LEU HD1 H 1.045 0.020 1 1596 154 154 LEU HD2 H 1.014 0.020 1 1597 154 154 LEU C C 175.297 0.3 1 1598 154 154 LEU CA C 53.948 0.3 1 1599 154 154 LEU CB C 40.641 0.3 1 1600 154 154 LEU CG C 26.970 0.3 1 1601 154 154 LEU CD1 C 25.562 0.3 1 1602 154 154 LEU CD2 C 21.966 0.3 1 1603 154 154 LEU N N 117.108 0.3 1 1604 155 155 GLY H H 7.351 0.020 1 1605 155 155 GLY HA2 H 4.413 0.020 2 1606 155 155 GLY HA3 H 3.518 0.020 2 1607 155 155 GLY C C 171.844 0.3 1 1608 155 155 GLY CA C 43.615 0.3 1 1609 155 155 GLY N N 107.827 0.3 1 1610 156 156 LYS H H 8.154 0.020 1 1611 156 156 LYS HA H 4.656 0.020 1 1612 156 156 LYS HB2 H 1.819 0.020 1 1613 156 156 LYS HB3 H 1.819 0.020 1 1614 156 156 LYS HG2 H 1.272 0.020 1 1615 156 156 LYS HG3 H 1.272 0.020 1 1616 156 156 LYS HD2 H 1.653 0.020 1 1617 156 156 LYS HD3 H 1.653 0.020 1 1618 156 156 LYS HE2 H 2.950 0.020 1 1619 156 156 LYS HE3 H 2.950 0.020 1 1620 156 156 LYS C C 176.541 0.3 1 1621 156 156 LYS CA C 54.887 0.3 1 1622 156 156 LYS CB C 33.518 0.3 1 1623 156 156 LYS CG C 24.859 0.3 1 1624 156 156 LYS CD C 29.472 0.3 1 1625 156 156 LYS CE C 42.374 0.3 1 1626 156 156 LYS N N 118.233 0.3 1 1627 157 157 ALA H H 9.777 0.020 1 1628 157 157 ALA HA H 4.394 0.020 1 1629 157 157 ALA HB H 1.401 0.020 1 1630 157 157 ALA C C 175.876 0.3 1 1631 157 157 ALA CA C 50.895 0.3 1 1632 157 157 ALA CB C 17.784 0.3 1 1633 157 157 ALA N N 130.608 0.3 1 1634 158 158 PRO HA H 4.516 0.020 1 1635 158 158 PRO HB2 H 2.441 0.020 1 1636 158 158 PRO HB3 H 2.441 0.020 1 1637 158 158 PRO HG2 H 2.121 0.020 1 1638 158 158 PRO HG3 H 2.121 0.020 1 1639 158 158 PRO C C 176.532 0.3 1 1640 158 158 PRO CA C 62.167 0.3 1 1641 158 158 PRO CB C 32.343 0.3 1 1642 158 158 PRO CG C 27.837 0.3 1 1643 159 159 ALA H H 8.575 0.020 1 1644 159 159 ALA HA H 4.044 0.020 1 1645 159 159 ALA HB H 1.467 0.020 1 1646 159 159 ALA C C 179.706 0.3 1 1647 159 159 ALA CA C 56.766 0.3 1 1648 159 159 ALA CB C 18.879 0.3 1 1649 159 159 ALA N N 123.733 0.3 1 1650 160 160 LYS H H 8.883 0.020 1 1651 160 160 LYS HA H 4.157 0.020 1 1652 160 160 LYS HB2 H 1.859 0.020 2 1653 160 160 LYS HB3 H 1.773 0.020 2 1654 160 160 LYS HD2 H 1.464 0.020 2 1655 160 160 LYS HD3 H 1.485 0.020 2 1656 160 160 LYS HE2 H 2.946 0.020 1 1657 160 160 LYS HE3 H 2.946 0.020 1 1658 160 160 LYS C C 179.115 0.3 1 1659 160 160 LYS CA C 58.958 0.3 1 1660 160 160 LYS CB C 31.561 0.3 1 1661 160 160 LYS CG C 24.624 0.3 1 1662 160 160 LYS CD C 28.299 0.3 1 1663 160 160 LYS CE C 41.999 0.3 1 1664 160 160 LYS N N 116.796 0.3 1 1665 161 161 GLU H H 6.988 0.020 1 1666 161 161 GLU HA H 4.114 0.020 1 1667 161 161 GLU HB2 H 2.110 0.020 1 1668 161 161 GLU HB3 H 2.110 0.020 1 1669 161 161 GLU HG2 H 2.391 0.020 2 1670 161 161 GLU HG3 H 2.209 0.020 2 1671 161 161 GLU C C 178.707 0.3 1 1672 161 161 GLU CA C 59.349 0.3 1 1673 161 161 GLU CB C 31.247 0.3 1 1674 161 161 GLU CG C 37.291 0.3 1 1675 161 161 GLU N N 118.514 0.3 1 1676 162 162 GLN H H 8.988 0.020 1 1677 162 162 GLN HA H 3.700 0.020 1 1678 162 162 GLN HB2 H 2.090 0.020 1 1679 162 162 GLN HB3 H 2.090 0.020 1 1680 162 162 GLN HG2 H 2.233 0.020 1 1681 162 162 GLN HG3 H 2.233 0.020 1 1682 162 162 GLN C C 177.184 0.3 1 1683 162 162 GLN CA C 58.019 0.3 1 1684 162 162 GLN CB C 28.273 0.3 1 1685 162 162 GLN CG C 32.834 0.3 1 1686 162 162 GLN N N 120.202 0.3 1 1687 163 163 GLU H H 8.063 0.020 1 1688 163 163 GLU HA H 4.140 0.020 1 1689 163 163 GLU HB2 H 2.259 0.020 2 1690 163 163 GLU HB3 H 2.160 0.020 2 1691 163 163 GLU HG2 H 2.532 0.020 1 1692 163 163 GLU HG3 H 2.532 0.020 1 1693 163 163 GLU C C 180.273 0.3 1 1694 163 163 GLU CA C 59.897 0.3 1 1695 163 163 GLU CB C 29.760 0.3 1 1696 163 163 GLU CG C 36.510 0.3 1 1697 163 163 GLU N N 117.952 0.3 1 1698 164 164 CYS H H 7.306 0.020 1 1699 164 164 CYS HA H 4.140 0.020 1 1700 164 164 CYS HB2 H 3.146 0.020 2 1701 164 164 CYS HB3 H 2.517 0.020 2 1702 164 164 CYS C C 176.562 0.3 1 1703 164 164 CYS CA C 63.420 0.3 1 1704 164 164 CYS CB C 26.316 0.3 1 1705 164 164 CYS N N 118.796 0.3 1 1706 165 165 LEU H H 8.357 0.020 1 1707 165 165 LEU HA H 4.297 0.020 1 1708 165 165 LEU HB2 H 2.259 0.020 2 1709 165 165 LEU HB3 H 2.256 0.020 2 1710 165 165 LEU HG H 1.652 0.020 1 1711 165 165 LEU HD1 H 1.306 0.020 1 1712 165 165 LEU HD2 H 1.216 0.020 1 1713 165 165 LEU C C 179.029 0.3 1 1714 165 165 LEU CA C 58.410 0.3 1 1715 165 165 LEU CB C 42.285 0.3 1 1716 165 165 LEU CG C 25.172 0.3 1 1717 165 165 LEU CD1 C 20.089 0.3 1 1718 165 165 LEU CD2 C 20.089 0.3 1 1719 165 165 LEU N N 121.327 0.3 1 1720 166 166 ASP H H 9.169 0.020 1 1721 166 166 ASP HA H 4.231 0.020 1 1722 166 166 ASP HB2 H 2.729 0.020 2 1723 166 166 ASP HB3 H 2.660 0.020 2 1724 166 166 ASP C C 179.029 0.3 1 1725 166 166 ASP CA C 57.392 0.3 1 1726 166 166 ASP CB C 39.701 0.3 1 1727 166 166 ASP N N 119.358 0.3 1 1728 167 167 ALA H H 7.745 0.020 1 1729 167 167 ALA HA H 4.322 0.020 1 1730 167 167 ALA HB H 1.773 0.020 1 1731 167 167 ALA C C 180.616 0.3 1 1732 167 167 ALA CA C 54.966 0.3 1 1733 167 167 ALA CB C 18.488 0.3 1 1734 167 167 ALA N N 122.171 0.3 1 1735 168 168 ALA H H 8.164 0.020 1 1736 168 168 ALA HA H 4.064 0.020 1 1737 168 168 ALA HB H 1.515 0.020 1 1738 168 168 ALA C C 180.917 0.3 1 1739 168 168 ALA CA C 55.435 0.3 1 1740 168 168 ALA CB C 17.705 0.3 1 1741 168 168 ALA N N 122.452 0.3 1 1742 169 169 VAL H H 9.052 0.020 1 1743 169 169 VAL HA H 3.442 0.020 1 1744 169 169 VAL HB H 2.521 0.020 1 1745 169 169 VAL HG1 H 1.415 0.020 1 1746 169 169 VAL HG2 H 0.834 0.020 1 1747 169 169 VAL C C 177.442 0.3 1 1748 169 169 VAL CA C 67.725 0.3 1 1749 169 169 VAL CB C 31.639 0.3 1 1750 169 169 VAL CG1 C 23.842 0.3 1 1751 169 169 VAL CG2 C 21.340 0.3 1 1752 169 169 VAL N N 124.702 0.3 1 1753 170 170 ASP H H 8.139 0.020 1 1754 170 170 ASP HA H 4.235 0.020 1 1755 170 170 ASP HB2 H 2.800 0.020 2 1756 170 170 ASP HB3 H 2.627 0.020 2 1757 170 170 ASP C C 178.750 0.3 1 1758 170 170 ASP CA C 57.862 0.3 1 1759 170 170 ASP CB C 40.719 0.3 1 1760 170 170 ASP N N 119.358 0.3 1 1761 171 171 GLU H H 7.821 0.020 1 1762 171 171 GLU HA H 4.142 0.020 1 1763 171 171 GLU HB2 H 1.754 0.020 2 1764 171 171 GLU HB3 H 1.676 0.020 2 1765 171 171 GLU C C 179.050 0.3 1 1766 171 171 GLU CA C 58.175 0.3 1 1767 171 171 GLU CB C 28.116 0.3 1 1768 171 171 GLU CG C 34.320 0.3 1 1769 171 171 GLU N N 119.639 0.3 1 1770 172 172 SER H H 8.457 0.020 1 1771 172 172 SER HA H 3.818 0.020 1 1772 172 172 SER HB2 H 4.173 0.020 1 1773 172 172 SER HB3 H 4.173 0.020 1 1774 172 172 SER C C 175.919 0.3 1 1775 172 172 SER CA C 64.594 0.3 1 1776 172 172 SER CB C 62.794 0.3 1 1777 172 172 SER N N 119.251 0.3 1 1778 173 173 VAL H H 8.316 0.020 1 1779 173 173 VAL HA H 3.462 0.020 1 1780 173 173 VAL HB H 2.282 0.020 1 1781 173 173 VAL HG1 H 1.140 0.020 1 1782 173 173 VAL HG2 H 0.869 0.020 1 1783 173 173 VAL C C 178.407 0.3 1 1784 173 173 VAL CA C 67.803 0.3 1 1785 173 173 VAL CB C 31.404 0.3 1 1786 173 173 VAL CG1 C 25.093 0.3 1 1787 173 173 VAL CG2 C 22.122 0.3 1 1788 173 173 VAL N N 121.889 0.3 1 1789 174 174 ARG H H 7.669 0.020 1 1790 174 174 ARG HA H 4.132 0.020 1 1791 174 174 ARG HB2 H 2.025 0.020 1 1792 174 174 ARG HB3 H 2.025 0.020 1 1793 174 174 ARG HG2 H 1.743 0.020 1 1794 174 174 ARG HG3 H 1.743 0.020 1 1795 174 174 ARG HD2 H 3.248 0.020 2 1796 174 174 ARG HD3 H 3.093 0.020 2 1797 174 174 ARG C C 180.938 0.3 1 1798 174 174 ARG CA C 59.506 0.3 1 1799 174 174 ARG CB C 30.073 0.3 1 1800 174 174 ARG CG C 28.299 0.3 1 1801 174 174 ARG CD C 43.156 0.3 1 1802 174 174 ARG N N 118.796 0.3 1 1803 175 175 CYS H H 8.649 0.020 1 1804 175 175 CYS HA H 4.327 0.020 1 1805 175 175 CYS HB2 H 2.995 0.020 2 1806 175 175 CYS HB3 H 2.707 0.020 2 1807 175 175 CYS C C 176.541 0.3 1 1808 175 175 CYS CA C 64.437 0.3 1 1809 175 175 CYS CB C 27.255 0.3 1 1810 175 175 CYS N N 117.070 0.3 1 1811 176 176 LEU H H 8.699 0.020 1 1812 176 176 LEU HA H 4.080 0.020 1 1813 176 176 LEU HB2 H 2.152 0.020 2 1814 176 176 LEU HB3 H 1.090 0.020 2 1815 176 176 LEU HG H 1.873 0.020 1 1816 176 176 LEU HD1 H 0.783 0.020 1 1817 176 176 LEU HD2 H 0.783 0.020 1 1818 176 176 LEU C C 178.450 0.3 1 1819 176 176 LEU CA C 57.862 0.3 1 1820 176 176 LEU CB C 41.893 0.3 1 1821 176 176 LEU CG C 26.970 0.3 1 1822 176 176 LEU CD1 C 23.842 0.3 1 1823 176 176 LEU CD2 C 23.842 0.3 1 1824 176 176 LEU N N 125.264 0.3 1 1825 177 177 GLU H H 7.533 0.020 1 1826 177 177 GLU HA H 3.761 0.020 1 1827 177 177 GLU HB2 H 2.046 0.020 1 1828 177 177 GLU HB3 H 2.046 0.020 1 1829 177 177 GLU HG2 H 2.400 0.020 2 1830 177 177 GLU HG3 H 2.400 0.020 2 1831 177 177 GLU C C 179.029 0.3 1 1832 177 177 GLU CA C 60.523 0.3 1 1833 177 177 GLU CB C 29.212 0.3 1 1834 177 177 GLU CG C 36.822 0.3 1 1835 177 177 GLU N N 118.260 0.3 1 1836 178 178 ILE H H 7.384 0.020 1 1837 178 178 ILE HA H 3.677 0.020 1 1838 178 178 ILE HB H 1.937 0.020 1 1839 178 178 ILE HG12 H 1.219 0.020 2 1840 178 178 ILE HG13 H 1.217 0.020 2 1841 178 178 ILE HG2 H 0.932 0.020 1 1842 178 178 ILE HD1 H 0.932 0.020 1 1843 178 178 ILE C C 177.785 0.3 1 1844 178 178 ILE CA C 65.142 0.3 1 1845 178 178 ILE CB C 38.527 0.3 1 1846 178 178 ILE CG1 C 28.925 0.3 1 1847 178 178 ILE CG2 C 16.805 0.3 1 1848 178 178 ILE CD1 C 16.727 0.3 1 1849 178 178 ILE N N 118.788 0.3 1 1850 179 179 LEU H H 8.503 0.020 1 1851 179 179 LEU HA H 3.700 0.020 1 1852 179 179 LEU HB2 H 2.116 0.020 2 1853 179 179 LEU HB3 H 1.192 0.020 2 1854 179 179 LEU HG H 1.323 0.020 1 1855 179 179 LEU HD1 H 0.453 0.020 1 1856 179 179 LEU HD2 H 0.453 0.020 1 1857 179 179 LEU C C 178.129 0.3 1 1858 179 179 LEU CA C 58.645 0.3 1 1859 179 179 LEU CB C 41.893 0.3 1 1860 179 179 LEU CG C 25.484 0.3 1 1861 179 179 LEU CD1 C 19.229 0.3 1 1862 179 179 LEU CD2 C 19.229 0.3 1 1863 179 179 LEU N N 123.577 0.3 1 1864 180 180 MET H H 7.139 0.020 1 1865 180 180 MET HA H 4.186 0.020 1 1866 180 180 MET HB2 H 1.934 0.020 2 1867 180 180 MET HB3 H 1.839 0.020 2 1868 180 180 MET HG2 H 2.404 0.020 1 1869 180 180 MET HG3 H 2.404 0.020 1 1870 180 180 MET C C 176.498 0.3 1 1871 180 180 MET CA C 55.905 0.3 1 1872 180 180 MET CB C 31.013 0.3 1 1873 180 180 MET CG C 31.818 0.3 1 1874 180 180 MET N N 113.171 0.3 1 1875 181 181 LYS H H 7.665 0.020 1 1876 181 181 LYS HA H 4.273 0.020 1 1877 181 181 LYS HB2 H 1.734 0.020 2 1878 181 181 LYS HB3 H 1.673 0.020 2 1879 181 181 LYS HG2 H 1.348 0.020 1 1880 181 181 LYS HG3 H 1.348 0.020 1 1881 181 181 LYS HD2 H 1.636 0.020 1 1882 181 181 LYS HD3 H 1.636 0.020 1 1883 181 181 LYS HE2 H 2.905 0.020 1 1884 181 181 LYS HE3 H 2.905 0.020 1 1885 181 181 LYS C C 176.542 0.3 1 1886 181 181 LYS CA C 58.723 0.3 1 1887 181 181 LYS CB C 34.927 0.3 1 1888 181 181 LYS CG C 25.172 0.3 1 1889 181 181 LYS CD C 29.472 0.3 1 1890 181 181 LYS CE C 41.748 0.3 1 1891 181 181 LYS N N 117.952 0.3 1 1892 182 182 ASP H H 9.191 0.020 1 1893 182 182 ASP HA H 4.920 0.020 1 1894 182 182 ASP HB2 H 2.714 0.020 2 1895 182 182 ASP HB3 H 2.472 0.020 2 1896 182 182 ASP C C 177.485 0.3 1 1897 182 182 ASP CA C 54.887 0.3 1 1898 182 182 ASP CB C 44.790 0.3 1 1899 182 182 ASP N N 116.827 0.3 1 1900 183 183 GLY H H 7.745 0.020 1 1901 183 183 GLY HA2 H 4.534 0.020 2 1902 183 183 GLY HA3 H 3.912 0.020 2 1903 183 183 GLY C C 173.410 0.3 1 1904 183 183 GLY CA C 44.641 0.3 1 1905 183 183 GLY N N 110.358 0.3 1 1906 184 184 LEU H H 8.381 0.020 1 1907 184 184 LEU HA H 3.700 0.020 1 1908 184 184 LEU HB2 H 1.667 0.020 2 1909 184 184 LEU HB3 H 1.196 0.020 2 1910 184 184 LEU HG H 0.726 0.020 1 1911 184 184 LEU HD1 H 0.352 0.020 1 1912 184 184 LEU HD2 H 0.352 0.020 1 1913 184 184 LEU C C 177.506 0.3 1 1914 184 184 LEU CA C 58.410 0.3 1 1915 184 184 LEU CB C 42.206 0.3 1 1916 184 184 LEU CG C 26.032 0.3 1 1917 184 184 LEU CD1 C 23.138 0.3 1 1918 184 184 LEU CD2 C 23.060 0.3 1 1919 184 184 LEU N N 118.796 0.3 1 1920 185 185 THR H H 8.336 0.020 1 1921 185 185 THR HA H 3.819 0.020 1 1922 185 185 THR HB H 4.031 0.020 1 1923 185 185 THR HG2 H 1.196 0.020 1 1924 185 185 THR C C 176.520 0.3 1 1925 185 185 THR CA C 67.021 0.3 1 1926 185 185 THR CB C 68.351 0.3 1 1927 185 185 THR CG2 C 22.044 0.3 1 1928 185 185 THR N N 115.421 0.3 1 1929 186 186 LYS H H 8.237 0.020 1 1930 186 186 LYS HA H 3.958 0.020 1 1931 186 186 LYS HB2 H 1.579 0.020 2 1932 186 186 LYS HB3 H 1.579 0.020 2 1933 186 186 LYS HG2 H 1.517 0.020 2 1934 186 186 LYS HG3 H 1.364 0.020 2 1935 186 186 LYS HD2 H 1.626 0.020 1 1936 186 186 LYS HD3 H 1.626 0.020 1 1937 186 186 LYS HE2 H 2.957 0.020 1 1938 186 186 LYS HE3 H 2.957 0.020 1 1939 186 186 LYS C C 179.329 0.3 1 1940 186 186 LYS CA C 59.547 0.3 1 1941 186 186 LYS CB C 32.343 0.3 1 1942 186 186 LYS CG C 25.953 0.3 1 1943 186 186 LYS CD C 29.316 0.3 1 1944 186 186 LYS CE C 42.218 0.3 1 1945 186 186 LYS N N 120.202 0.3 1 1946 187 187 ALA H H 7.566 0.020 1 1947 187 187 ALA HA H 3.913 0.020 1 1948 187 187 ALA HB H 1.446 0.020 1 1949 187 187 ALA C C 178.772 0.3 1 1950 187 187 ALA CA C 55.905 0.3 1 1951 187 187 ALA CB C 19.584 0.3 1 1952 187 187 ALA N N 121.889 0.3 1 1953 188 188 GLN H H 9.125 0.020 1 1954 188 188 GLN HA H 3.809 0.020 1 1955 188 188 GLN HB2 H 1.904 0.020 1 1956 188 188 GLN HB3 H 1.904 0.020 1 1957 188 188 GLN HG2 H 2.137 0.020 1 1958 188 188 GLN HG3 H 2.137 0.020 1 1959 188 188 GLN C C 176.863 0.3 1 1960 188 188 GLN CA C 59.036 0.3 1 1961 188 188 GLN CB C 29.056 0.3 1 1962 188 188 GLN CG C 34.242 0.3 1 1963 188 188 GLN N N 117.952 0.3 1 1964 189 189 ASN H H 8.275 0.020 1 1965 189 189 ASN HA H 4.426 0.020 1 1966 189 189 ASN HB2 H 2.877 0.020 2 1967 189 189 ASN HB3 H 2.814 0.020 2 1968 189 189 ASN C C 177.463 0.3 1 1969 189 189 ASN CA C 55.670 0.3 1 1970 189 189 ASN CB C 37.979 0.3 1 1971 189 189 ASN N N 117.100 0.3 1 1972 190 190 ARG H H 7.230 0.020 1 1973 190 190 ARG HA H 4.495 0.020 1 1974 190 190 ARG HG2 H 1.468 0.020 1 1975 190 190 ARG HG3 H 1.468 0.020 1 1976 190 190 ARG HD2 H 3.255 0.020 1 1977 190 190 ARG HD3 H 3.255 0.020 1 1978 190 190 ARG C C 178.428 0.3 1 1979 190 190 ARG CA C 59.036 0.3 1 1980 190 190 ARG CB C 29.760 0.3 1 1981 190 190 ARG CG C 27.283 0.3 1 1982 190 190 ARG CD C 44.954 0.3 1 1983 190 190 ARG N N 117.389 0.3 1 1984 191 191 LEU H H 8.624 0.020 1 1985 191 191 LEU HA H 4.140 0.020 1 1986 191 191 LEU HB2 H 1.981 0.020 2 1987 191 191 LEU HB3 H 1.909 0.020 2 1988 191 191 LEU HG H 1.909 0.020 1 1989 191 191 LEU HD1 H 1.207 0.020 1 1990 191 191 LEU HD2 H 1.142 0.020 1 1991 191 191 LEU C C 179.373 0.3 1 1992 191 191 LEU CA C 58.645 0.3 1 1993 191 191 LEU CB C 41.502 0.3 1 1994 191 191 LEU CG C 25.953 0.3 1 1995 191 191 LEU CD1 C 22.669 0.3 1 1996 191 191 LEU CD2 C 21.262 0.3 1 1997 191 191 LEU N N 122.155 0.3 1 1998 192 192 HIS H H 9.017 0.020 1 1999 192 192 HIS HA H 5.091 0.020 1 2000 192 192 HIS HB2 H 3.383 0.020 1 2001 192 192 HIS HB3 H 3.383 0.020 1 2002 192 192 HIS HD2 H 6.933 0.020 1 2003 192 192 HIS C C 177.163 0.3 1 2004 192 192 HIS CA C 57.001 0.3 1 2005 192 192 HIS CB C 28.351 0.3 1 2006 192 192 HIS N N 113.452 0.3 1 2007 193 193 THR H H 7.632 0.020 1 2008 193 193 THR HA H 4.499 0.020 1 2009 193 193 THR HB H 3.838 0.020 1 2010 193 193 THR HG2 H 1.378 0.020 1 2011 193 193 THR C C 174.053 0.3 1 2012 193 193 THR CA C 62.011 0.3 1 2013 193 193 THR CB C 69.995 0.3 1 2014 193 193 THR CG2 C 21.887 0.3 1 2015 193 193 THR N N 110.077 0.3 1 2016 194 194 PHE H H 7.722 0.020 1 2017 194 194 PHE HA H 4.449 0.020 1 2018 194 194 PHE HB2 H 3.358 0.020 1 2019 194 194 PHE HB3 H 3.358 0.020 1 2020 194 194 PHE HD1 H 7.236 0.020 1 2021 194 194 PHE HD2 H 7.236 0.020 1 2022 194 194 PHE HE1 H 7.236 0.020 1 2023 194 194 PHE HE2 H 7.236 0.020 1 2024 194 194 PHE C C 175.640 0.3 1 2025 194 194 PHE CA C 59.271 0.3 1 2026 194 194 PHE CB C 39.858 0.3 1 2027 194 194 PHE CD1 C 132.607 0.3 1 2028 194 194 PHE CD2 C 132.607 0.3 1 2029 194 194 PHE CE1 C 132.607 0.3 1 2030 194 194 PHE CE2 C 132.607 0.3 1 2031 194 194 PHE N N 124.702 0.3 1 2032 195 195 LYS H H 7.615 0.020 1 2033 195 195 LYS HA H 4.195 0.020 1 2034 195 195 LYS HG2 H 1.113 0.020 2 2035 195 195 LYS HG3 H 1.017 0.020 2 2036 195 195 LYS HD2 H 1.515 0.020 1 2037 195 195 LYS HD3 H 1.515 0.020 1 2038 195 195 LYS HE2 H 2.866 0.020 1 2039 195 195 LYS HE3 H 2.866 0.020 1 2040 195 195 LYS C C 174.032 0.3 1 2041 195 195 LYS CA C 56.453 0.3 1 2042 195 195 LYS CB C 34.927 0.3 1 2043 195 195 LYS CG C 24.390 0.3 1 2044 195 195 LYS CD C 29.394 0.3 1 2045 195 195 LYS CE C 41.827 0.3 1 2046 195 195 LYS N N 128.639 0.3 1 2047 196 196 ALA H H 8.324 0.020 1 2048 196 196 ALA HA H 4.279 0.020 1 2049 196 196 ALA HB H 1.590 0.020 1 2050 196 196 ALA C C 175.619 0.3 1 2051 196 196 ALA CA C 52.148 0.3 1 2052 196 196 ALA CB C 20.602 0.3 1 2053 196 196 ALA N N 129.483 0.3 1 2054 197 197 GLU H H 7.857 0.020 1 2055 197 197 GLU HA H 4.240 0.020 1 2056 197 197 GLU HB2 H 1.956 0.020 2 2057 197 197 GLU HB3 H 1.819 0.020 2 2058 197 197 GLU C C 180.616 0.3 1 2059 197 197 GLU CA C 57.471 0.3 1 2060 197 197 GLU CB C 32.500 0.3 1 2061 197 197 GLU N N 125.264 0.3 1 stop_ save_