data_16240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of full-length SlyD from E.coli ; _BMRB_accession_number 16240 _BMRB_flat_file_name bmr16240.str _Entry_type original _Submission_date 2009-04-03 _Accession_date 2009-04-03 _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 Martino Luigi . . 2 Kelly Geoff . . 3 Conte Maria R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 732 "13C chemical shifts" 609 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-11-25 update BMRB 'complete entry citation' 2009-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment of SlyD from E. coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19760519 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martino Luigi . . 2 Kelly Geoff . . 3 Conte Maria R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 235 _Page_last 237 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SlyD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SlyD $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SlyD _Molecular_mass 20883.012 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; MKVAKDLVVSLAYQVRTEDG VLVDESPVSAPLDYLHGHGS LISGLETALEGHEVGDKFDV AVGANDAYGQYDENLVQRVP KDVFMGVDELQVGMRFLAET DQGPVPVEITAVEDDHVVVD GNHMLAGQNLKFNVEVVAIR EATEEELAHGHVHGAHDHHH DHDHDGCCGGHGHDHGHEHG GEGCCGGKGNGGCGCH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 ALA 5 LYS 6 ASP 7 LEU 8 VAL 9 VAL 10 SER 11 LEU 12 ALA 13 TYR 14 GLN 15 VAL 16 ARG 17 THR 18 GLU 19 ASP 20 GLY 21 VAL 22 LEU 23 VAL 24 ASP 25 GLU 26 SER 27 PRO 28 VAL 29 SER 30 ALA 31 PRO 32 LEU 33 ASP 34 TYR 35 LEU 36 HIS 37 GLY 38 HIS 39 GLY 40 SER 41 LEU 42 ILE 43 SER 44 GLY 45 LEU 46 GLU 47 THR 48 ALA 49 LEU 50 GLU 51 GLY 52 HIS 53 GLU 54 VAL 55 GLY 56 ASP 57 LYS 58 PHE 59 ASP 60 VAL 61 ALA 62 VAL 63 GLY 64 ALA 65 ASN 66 ASP 67 ALA 68 TYR 69 GLY 70 GLN 71 TYR 72 ASP 73 GLU 74 ASN 75 LEU 76 VAL 77 GLN 78 ARG 79 VAL 80 PRO 81 LYS 82 ASP 83 VAL 84 PHE 85 MET 86 GLY 87 VAL 88 ASP 89 GLU 90 LEU 91 GLN 92 VAL 93 GLY 94 MET 95 ARG 96 PHE 97 LEU 98 ALA 99 GLU 100 THR 101 ASP 102 GLN 103 GLY 104 PRO 105 VAL 106 PRO 107 VAL 108 GLU 109 ILE 110 THR 111 ALA 112 VAL 113 GLU 114 ASP 115 ASP 116 HIS 117 VAL 118 VAL 119 VAL 120 ASP 121 GLY 122 ASN 123 HIS 124 MET 125 LEU 126 ALA 127 GLY 128 GLN 129 ASN 130 LEU 131 LYS 132 PHE 133 ASN 134 VAL 135 GLU 136 VAL 137 VAL 138 ALA 139 ILE 140 ARG 141 GLU 142 ALA 143 THR 144 GLU 145 GLU 146 GLU 147 LEU 148 ALA 149 HIS 150 GLY 151 HIS 152 VAL 153 HIS 154 GLY 155 ALA 156 HIS 157 ASP 158 HIS 159 HIS 160 HIS 161 ASP 162 HIS 163 ASP 164 HIS 165 ASP 166 GLY 167 CYS 168 CYS 169 GLY 170 GLY 171 HIS 172 GLY 173 HIS 174 ASP 175 HIS 176 GLY 177 HIS 178 GLU 179 HIS 180 GLY 181 GLY 182 GLU 183 GLY 184 CYS 185 CYS 186 GLY 187 GLY 188 LYS 189 GLY 190 ASN 191 GLY 192 GLY 193 CYS 194 GLY 195 CYS 196 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 15950 METHIONINE 84.18 171 100.00 100.00 6.56e-110 PDB 2K8I "Solution Structure Of E.Coli Slyd" 84.18 171 100.00 100.00 6.56e-110 PDB 2KFW "Solution Structure Of Full-Length Slyd From E.Coli" 100.00 196 100.00 100.00 5.35e-134 DBJ BAB37623 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" 100.00 196 100.00 100.00 5.35e-134 DBJ BAE77942 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" 100.00 196 100.00 100.00 5.35e-134 DBJ BAG79134 "peptidyl prolyl cis-trans isomerase [Escherichia coli SE11]" 100.00 196 100.00 100.00 5.35e-134 DBJ BAH65509 "FKBP-type peptidyl prolyl cis-trans isomerase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 75.00 195 97.28 97.96 6.14e-94 DBJ BAI27607 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" 100.00 196 100.00 100.00 5.35e-134 EMBL CAA79705 "histidine rich protein [Escherichia coli]" 100.00 196 100.00 100.00 5.35e-134 EMBL CAD08158 "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 91.84 196 97.78 97.78 6.19e-93 EMBL CAP77801 "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Escherichia coli LF82]" 100.00 196 100.00 100.00 5.35e-134 EMBL CAQ33668 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli BL21(DE3)]" 100.00 196 100.00 100.00 5.35e-134 EMBL CAQ90798 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia fergusonii ATCC 35469]" 100.00 196 98.47 99.49 2.71e-132 GB AAA18574 "sensitivity to lysis gene [Escherichia coli]" 100.00 196 100.00 100.00 5.35e-134 GB AAA58146 "histidine rich protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 196 100.00 100.00 5.35e-134 GB AAC41458 "slyD [Escherichia coli]" 100.00 196 100.00 100.00 5.35e-134 GB AAC76374 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 100.00 196 100.00 100.00 5.35e-134 GB AAG58456 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli O157:H7 str. EDL933]" 100.00 196 100.00 100.00 5.35e-134 PIR AB1004 "peptidylprolyl isomerase (EC 5.2.1.8) - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 91.84 196 97.78 97.78 6.19e-93 REF NP_312227 "FKBP-type peptidylprolyl isomerase [Escherichia coli O157:H7 str. Sakai]" 100.00 196 100.00 100.00 5.35e-134 REF NP_417808 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 100.00 196 100.00 100.00 5.35e-134 REF NP_458445 "FkbB-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 91.84 196 97.78 97.78 6.19e-93 REF NP_462359 "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 87.76 196 98.26 98.26 4.27e-93 REF NP_709123 "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" 100.00 196 100.00 100.00 5.35e-134 SP P0A9K9 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Histidine-rich protein; AltName: " 100.00 196 100.00 100.00 5.35e-134 SP P0A9L0 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 100.00 196 100.00 100.00 5.35e-134 SP P0A9L1 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 100.00 196 100.00 100.00 5.35e-134 SP P0A9L2 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 100.00 196 100.00 100.00 5.35e-134 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Eubacteria . Escherichia coli 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 $entity 'recombinant technology' . Escherichia coli M15 pQE60 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 0.9 '[U-100% 13C; U-100% 15N]' TRIS 20 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _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 Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 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' 100 . mM pH 7.25 . pH pressure 1.0 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SlyD _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 4.299 0.005 1 2 1 1 MET HB2 H 1.812 0.005 2 3 1 1 MET HB3 H 1.901 0.005 2 4 1 1 MET HE H 2.035 0.004 1 5 1 1 MET HG2 H 2.466 0.011 2 6 1 1 MET HG3 H 2.531 0.002 2 7 1 1 MET C C 174.341 0.005 1 8 1 1 MET CA C 56.763 0.005 1 9 1 1 MET CB C 34.264 0.005 1 10 1 1 MET CE C 17.703 0.005 1 11 1 1 MET CG C 32.702 0.005 1 12 2 2 LYS H H 7.546 0.005 1 13 2 2 LYS HA H 4.844 0.005 1 14 2 2 LYS HB2 H 1.394 0.005 2 15 2 2 LYS HD2 H 1.567 0.005 2 16 2 2 LYS HE2 H 2.928 0.005 2 17 2 2 LYS HG2 H 1.230 0.005 2 18 2 2 LYS HG3 H 1.263 0.002 2 19 2 2 LYS C C 176.340 0.005 1 20 2 2 LYS CA C 53.718 0.005 1 21 2 2 LYS CB C 36.452 0.005 1 22 2 2 LYS CD C 29.577 0.005 1 23 2 2 LYS CE C 42.076 0.005 1 24 2 2 LYS CG C 24.890 0.005 1 25 2 2 LYS N N 119.825 0.005 1 26 3 3 VAL H H 8.834 0.005 1 27 3 3 VAL HA H 2.874 0.001 1 28 3 3 VAL HB H 2.066 0.005 1 29 3 3 VAL HG1 H 0.064 0.002 2 30 3 3 VAL HG2 H 0.893 0.005 2 31 3 3 VAL C C 175.062 0.005 1 32 3 3 VAL CA C 66.450 0.005 1 33 3 3 VAL CB C 31.140 0.005 1 34 3 3 VAL CG1 C 21.453 0.005 2 35 3 3 VAL CG2 C 22.078 0.005 2 36 3 3 VAL N N 120.082 0.005 1 37 4 4 ALA H H 6.691 0.005 1 38 4 4 ALA HA H 4.303 0.002 1 39 4 4 ALA HB H 1.323 0.004 1 40 4 4 ALA C C 174.248 0.005 1 41 4 4 ALA CA C 50.513 0.005 1 42 4 4 ALA CB C 22.078 0.005 1 43 4 4 ALA N N 129.329 0.005 1 44 5 5 LYS H H 8.681 0.005 1 45 5 5 LYS HA H 3.865 0.005 1 46 5 5 LYS HB2 H 1.947 0.006 2 47 5 5 LYS HB3 H 1.776 0.001 2 48 5 5 LYS HD2 H 1.727 0.002 2 49 5 5 LYS HE2 H 2.852 0.008 2 50 5 5 LYS HG2 H 1.415 0.005 2 51 5 5 LYS HG3 H 1.495 0.003 2 52 5 5 LYS C C 175.271 0.005 1 53 5 5 LYS CA C 57.700 0.005 1 54 5 5 LYS CB C 32.390 0.005 1 55 5 5 LYS CD C 29.577 0.005 1 56 5 5 LYS CE C 42.076 0.005 1 57 5 5 LYS CG C 24.890 0.005 1 58 5 5 LYS N N 118.284 0.005 1 59 6 6 ASP H H 8.799 0.005 1 60 6 6 ASP HA H 4.141 0.002 1 61 6 6 ASP HB2 H 3.050 0.005 2 62 6 6 ASP HB3 H 3.288 0.005 2 63 6 6 ASP C C 173.435 0.005 1 64 6 6 ASP CA C 57.700 0.005 1 65 6 6 ASP CB C 37.702 0.005 1 66 6 6 ASP N N 115.201 0.005 1 67 7 7 LEU H H 7.481 0.005 1 68 7 7 LEU HA H 4.745 0.005 1 69 7 7 LEU HB2 H 1.263 0.001 2 70 7 7 LEU HB3 H 1.627 0.002 2 71 7 7 LEU HD1 H 0.554 0.003 2 72 7 7 LEU HD2 H 0.602 0.005 2 73 7 7 LEU HG H 1.800 0.001 1 74 7 7 LEU C C 175.945 0.005 1 75 7 7 LEU CA C 53.587 0.005 1 76 7 7 LEU CB C 42.701 0.005 1 77 7 7 LEU CD1 C 23.328 0.005 2 78 7 7 LEU CD2 C 27.702 0.005 2 79 7 7 LEU CG C 26.765 0.005 1 80 7 7 LEU N N 117.000 0.005 1 81 8 8 VAL H H 8.747 0.005 1 82 8 8 VAL HA H 4.460 0.005 1 83 8 8 VAL HB H 1.700 0.002 1 84 8 8 VAL HG1 H 0.574 0.005 2 85 8 8 VAL HG2 H 0.708 0.001 2 86 8 8 VAL C C 175.247 0.005 1 87 8 8 VAL CA C 62.075 0.005 1 88 8 8 VAL CB C 31.452 0.005 1 89 8 8 VAL CG1 C 20.203 0.005 2 90 8 8 VAL CG2 C 22.078 0.005 2 91 8 8 VAL N N 120.596 0.005 1 92 9 9 VAL H H 8.724 0.005 1 93 9 9 VAL HA H 4.352 0.005 1 94 9 9 VAL HB H 2.003 0.002 1 95 9 9 VAL HG1 H 1.081 0.002 2 96 9 9 VAL HG2 H 0.836 0.002 2 97 9 9 VAL C C 174.248 0.005 1 98 9 9 VAL CA C 60.728 0.005 1 99 9 9 VAL CB C 33.952 0.005 1 100 9 9 VAL CG1 C 22.078 0.005 2 101 9 9 VAL CG2 C 22.703 0.005 2 102 9 9 VAL N N 133.439 0.005 1 103 10 10 SER H H 8.789 0.005 1 104 10 10 SER HA H 5.821 0.005 1 105 10 10 SER HB2 H 3.591 0.001 2 106 10 10 SER C C 173.621 0.005 1 107 10 10 SER CA C 56.451 0.005 1 108 10 10 SER CB C 63.638 0.005 1 109 10 10 SER N N 121.109 0.005 1 110 11 11 LEU H H 10.036 0.005 1 111 11 11 LEU HA H 5.215 0.001 1 112 11 11 LEU HB2 H 1.781 0.002 2 113 11 11 LEU HB3 H 1.817 0.005 2 114 11 11 LEU HD1 H 0.810 0.002 2 115 11 11 LEU HD2 H 0.807 0.003 2 116 11 11 LEU HG H 1.826 0.003 1 117 11 11 LEU C C 174.945 0.005 1 118 11 11 LEU CA C 53.638 0.005 1 119 11 11 LEU CB C 47.389 0.005 1 120 11 11 LEU CD1 C 25.827 0.005 2 121 11 11 LEU CD2 C 26.140 0.005 2 122 11 11 LEU CG C 26.765 0.005 1 123 11 11 LEU N N 127.788 0.005 1 124 12 12 ALA H H 8.867 0.005 1 125 12 12 ALA HA H 4.913 0.001 1 126 12 12 ALA HB H 1.215 0.007 1 127 12 12 ALA C C 176.585 0.005 1 128 12 12 ALA CA C 50.201 0.005 1 129 12 12 ALA CB C 21.140 0.005 1 130 12 12 ALA N N 127.017 0.005 1 131 13 13 TYR H H 8.720 0.005 1 132 13 13 TYR HA H 5.895 0.004 1 133 13 13 TYR HB2 H 3.028 0.001 2 134 13 13 TYR HB3 H 3.155 0.002 2 135 13 13 TYR HD1 H 6.687 0.005 3 136 13 13 TYR HE1 H 6.734 0.005 3 137 13 13 TYR C C 174.054 0.005 1 138 13 13 TYR CA C 56.451 0.005 1 139 13 13 TYR CB C 41.451 0.005 1 140 13 13 TYR CD1 C 132.152 0.005 3 141 13 13 TYR CE1 C 117.671 0.005 3 142 13 13 TYR N N 117.000 0.005 1 143 14 14 GLN H H 8.596 0.005 1 144 14 14 GLN HA H 4.571 0.005 1 145 14 14 GLN HG2 H 2.373 0.001 2 146 14 14 GLN HG3 H 2.573 0.005 2 147 14 14 GLN C C 174.532 0.005 1 148 14 14 GLN CA C 55.707 0.005 1 149 14 14 GLN CB C 33.102 0.005 1 150 14 14 GLN CG C 34.577 0.005 1 151 14 14 GLN N N 116.486 0.005 1 152 15 15 VAL H H 8.529 0.005 1 153 15 15 VAL HA H 4.708 0.005 1 154 15 15 VAL HB H 2.043 0.262 1 155 15 15 VAL HG1 H 0.306 0.003 2 156 15 15 VAL HG2 H 0.615 0.001 2 157 15 15 VAL C C 173.481 0.005 1 158 15 15 VAL CA C 59.718 0.005 1 159 15 15 VAL CB C 33.483 0.156 1 160 15 15 VAL CG1 C 22.703 0.005 2 161 15 15 VAL CG2 C 20.515 0.005 2 162 15 15 VAL N N 120.596 0.005 1 163 16 16 ARG H H 8.695 0.005 1 164 16 16 ARG HA H 5.661 0.001 1 165 16 16 ARG HB2 H 1.363 0.005 2 166 16 16 ARG HB3 H 1.588 0.001 2 167 16 16 ARG HD2 H 2.938 0.005 2 168 16 16 ARG HD3 H 3.044 0.001 2 169 16 16 ARG C C 176.697 0.005 1 170 16 16 ARG CA C 53.638 0.005 1 171 16 16 ARG CB C 34.889 0.005 1 172 16 16 ARG CD C 42.701 0.005 1 173 16 16 ARG N N 126.247 0.005 1 174 17 17 THR H H 8.383 0.005 1 175 17 17 THR HA H 4.650 0.008 1 176 17 17 THR HB H 4.809 0.005 1 177 17 17 THR HG2 H 1.158 0.001 1 178 17 17 THR C C 177.874 0.005 1 179 17 17 THR CA C 61.138 0.005 1 180 17 17 THR CB C 70.221 0.005 1 181 17 17 THR CG2 C 23.328 0.005 1 182 17 17 THR N N 109.293 0.005 1 183 18 18 GLU H H 9.224 0.005 1 184 18 18 GLU HA H 3.878 0.005 1 185 18 18 GLU HB2 H 2.095 0.001 2 186 18 18 GLU HB3 H 2.113 0.005 2 187 18 18 GLU HG2 H 2.273 0.005 2 188 18 18 GLU HG3 H 2.391 0.005 2 189 18 18 GLU C C 176.754 0.005 1 190 18 18 GLU CA C 59.888 0.005 1 191 18 18 GLU CB C 29.577 0.005 1 192 18 18 GLU CG C 37.389 0.005 1 193 18 18 GLU N N 121.880 0.005 1 194 19 19 ASP H H 8.002 0.005 1 195 19 19 ASP HA H 4.533 0.005 1 196 19 19 ASP HB2 H 2.733 0.002 2 197 19 19 ASP C C 174.560 0.005 1 198 19 19 ASP CA C 53.638 0.005 1 199 19 19 ASP CB C 40.202 0.005 1 200 19 19 ASP N N 115.458 0.005 1 201 20 20 GLY H H 8.223 0.005 1 202 20 20 GLY HA2 H 3.620 0.036 2 203 20 20 GLY HA3 H 4.236 0.005 2 204 20 20 GLY C C 174.054 0.005 1 205 20 20 GLY CA C 45.618 0.147 1 206 20 20 GLY N N 108.523 0.005 1 207 21 21 VAL H H 7.359 0.005 1 208 21 21 VAL HA H 3.733 0.002 1 209 21 21 VAL HB H 2.000 0.001 1 210 21 21 VAL HG1 H 0.760 0.001 2 211 21 21 VAL HG2 H 0.796 0.001 2 212 21 21 VAL C C 175.364 0.005 1 213 21 21 VAL CA C 63.325 0.005 1 214 21 21 VAL CB C 31.765 0.005 1 215 21 21 VAL CG1 C 22.078 0.005 2 216 21 21 VAL CG2 C 20.828 0.005 2 217 21 21 VAL N N 123.678 0.005 1 218 22 22 LEU H H 8.498 0.005 1 219 22 22 LEU HA H 4.424 0.003 1 220 22 22 LEU HB2 H 1.292 0.005 2 221 22 22 LEU HB3 H 1.856 0.002 2 222 22 22 LEU HD1 H 0.786 0.005 2 223 22 22 LEU HG H 1.339 0.004 1 224 22 22 LEU C C 176.665 0.005 1 225 22 22 LEU CA C 55.826 0.005 1 226 22 22 LEU CB C 42.389 0.005 1 227 22 22 LEU CD1 C 20.828 0.005 2 228 22 22 LEU CG C 27.077 0.005 1 229 22 22 LEU N N 128.045 0.005 1 230 23 23 VAL H H 8.991 0.005 1 231 23 23 VAL HA H 4.303 0.002 1 232 23 23 VAL HB H 2.046 0.001 1 233 23 23 VAL HG1 H 0.794 0.005 2 234 23 23 VAL C C 175.347 0.005 1 235 23 23 VAL CA C 62.388 0.005 1 236 23 23 VAL CB C 33.015 0.005 1 237 23 23 VAL CG1 C 20.203 0.005 2 238 23 23 VAL N N 124.706 0.005 1 239 24 24 ASP H H 7.579 0.005 1 240 24 24 ASP HA H 4.807 0.005 1 241 24 24 ASP HB2 H 2.389 0.002 2 242 24 24 ASP HB3 H 2.929 0.005 2 243 24 24 ASP C C 173.225 0.005 1 244 24 24 ASP CA C 53.881 0.005 1 245 24 24 ASP CB C 43.639 0.005 1 246 24 24 ASP N N 116.486 0.005 1 247 25 25 GLU H H 8.283 0.005 1 248 25 25 GLU HA H 4.565 0.001 1 249 25 25 GLU HB2 H 2.064 0.007 2 250 25 25 GLU HB3 H 2.113 0.002 2 251 25 25 GLU HG2 H 1.936 0.002 2 252 25 25 GLU HG3 H 2.051 0.002 2 253 25 25 GLU C C 177.598 0.005 1 254 25 25 GLU CA C 55.513 0.005 1 255 25 25 GLU CB C 33.327 0.005 1 256 25 25 GLU CG C 34.577 0.005 1 257 25 25 GLU N N 118.284 0.005 1 258 26 26 SER H H 8.062 0.005 1 259 26 26 SER HA H 4.835 0.005 1 260 26 26 SER HB2 H 3.537 0.001 2 261 26 26 SER HB3 H 3.945 0.001 2 262 26 26 SER CA C 55.961 0.005 1 263 26 26 SER CB C 65.200 0.005 1 264 26 26 SER N N 118.798 0.005 1 265 27 27 PRO HA H 4.697 0.005 1 266 27 27 PRO HB2 H 2.097 0.003 2 267 27 27 PRO HB3 H 2.208 0.002 2 268 27 27 PRO HD2 H 3.613 0.005 2 269 27 27 PRO HD3 H 3.901 0.003 2 270 27 27 PRO HG2 H 1.856 0.001 2 271 27 27 PRO HG3 H 1.975 0.005 2 272 27 27 PRO C C 177.130 0.005 1 273 27 27 PRO CA C 61.946 0.005 1 274 27 27 PRO CB C 33.015 0.005 1 275 27 27 PRO CD C 50.513 0.005 1 276 27 27 PRO CG C 26.765 0.005 1 277 28 28 VAL H H 8.473 0.005 1 278 28 28 VAL HA H 3.463 0.005 1 279 28 28 VAL HB H 1.954 0.005 1 280 28 28 VAL HG1 H 0.885 0.005 2 281 28 28 VAL HG2 H 1.216 0.005 2 282 28 28 VAL C C 176.107 0.005 1 283 28 28 VAL CA C 65.825 0.005 1 284 28 28 VAL CB C 31.765 0.005 1 285 28 28 VAL CG1 C 21.453 0.005 2 286 28 28 VAL CG2 C 20.985 0.005 2 287 28 28 VAL N N 118.798 0.005 1 288 29 29 SER H H 7.449 0.005 1 289 29 29 SER HA H 4.177 0.001 1 290 29 29 SER HB2 H 3.801 0.001 2 291 29 29 SER HB3 H 4.006 0.001 2 292 29 29 SER C C 174.672 0.005 1 293 29 29 SER CA C 58.638 0.005 1 294 29 29 SER CB C 63.325 0.005 1 295 29 29 SER N N 108.780 0.005 1 296 30 30 ALA H H 7.555 0.005 1 297 30 30 ALA HA H 4.613 0.005 1 298 30 30 ALA HB H 1.175 0.001 1 299 30 30 ALA CA C 50.826 0.005 1 300 30 30 ALA CB C 18.328 0.005 1 301 30 30 ALA N N 125.476 0.005 1 302 31 31 PRO HA H 4.401 0.005 1 303 31 31 PRO HB2 H 1.703 0.002 2 304 31 31 PRO HB3 H 1.802 0.001 2 305 31 31 PRO HD2 H 3.464 0.007 2 306 31 31 PRO HD3 H 3.568 0.002 2 307 31 31 PRO HG2 H 1.794 0.006 2 308 31 31 PRO HG3 H 1.867 0.005 2 309 31 31 PRO C C 175.898 0.005 1 310 31 31 PRO CA C 62.994 0.005 1 311 31 31 PRO CB C 33.015 0.005 1 312 31 31 PRO CD C 49.576 0.005 1 313 31 31 PRO CG C 26.765 0.005 1 314 32 32 LEU H H 8.823 0.005 1 315 32 32 LEU HA H 4.533 0.005 1 316 32 32 LEU HB2 H 1.840 0.003 2 317 32 32 LEU HB3 H 2.029 0.002 2 318 32 32 LEU HD1 H 0.842 0.002 2 319 32 32 LEU HD2 H 1.007 0.001 2 320 32 32 LEU HG H 1.566 0.003 1 321 32 32 LEU C C 175.387 0.005 1 322 32 32 LEU CA C 54.888 0.005 1 323 32 32 LEU CB C 43.951 0.005 1 324 32 32 LEU CD1 C 26.452 0.005 2 325 32 32 LEU CD2 C 24.265 0.005 2 326 32 32 LEU CG C 27.390 0.005 1 327 32 32 LEU N N 123.164 0.005 1 328 33 33 ASP H H 8.344 0.005 1 329 33 33 ASP HA H 6.007 0.004 1 330 33 33 ASP HB2 H 2.336 0.203 2 331 33 33 ASP HB3 H 2.538 0.005 2 332 33 33 ASP C C 175.945 0.005 1 333 33 33 ASP CA C 52.701 0.005 1 334 33 33 ASP CB C 42.076 0.005 1 335 33 33 ASP N N 127.788 0.005 1 336 34 34 TYR H H 9.256 0.005 1 337 34 34 TYR HA H 4.745 0.005 1 338 34 34 TYR HB2 H 2.798 0.004 2 339 34 34 TYR HD1 H 6.799 0.005 3 340 34 34 TYR CA C 56.019 0.005 1 341 34 34 TYR CB C 42.076 0.005 1 342 34 34 TYR CD1 C 131.986 0.005 3 343 34 34 TYR N N 121.109 0.005 1 344 35 35 LEU H H 8.429 0.005 1 345 35 35 LEU HA H 4.479 0.005 1 346 35 35 LEU HB2 H 0.749 0.001 2 347 35 35 LEU HB3 H 1.706 0.001 2 348 35 35 LEU HD1 H 0.030 0.001 2 349 35 35 LEU HD2 H 0.400 0.001 2 350 35 35 LEU HG H 1.065 0.001 1 351 35 35 LEU C C 173.063 0.005 1 352 35 35 LEU CA C 53.013 0.005 1 353 35 35 LEU CB C 42.701 0.005 1 354 35 35 LEU CD1 C 25.515 0.005 2 355 35 35 LEU CD2 C 24.578 0.005 2 356 35 35 LEU CG C 27.390 0.005 1 357 35 35 LEU N N 123.935 0.005 1 358 36 36 HIS H H 8.837 0.005 1 359 36 36 HIS HA H 4.467 0.005 1 360 36 36 HIS HB2 H 2.610 0.005 2 361 36 36 HIS HB3 H 3.401 0.002 2 362 36 36 HIS HD2 H 6.760 0.005 1 363 36 36 HIS CA C 59.575 0.005 1 364 36 36 HIS CB C 31.452 0.005 1 365 36 36 HIS CD2 C 119.169 0.005 1 366 36 36 HIS N N 131.641 0.005 1 367 37 37 GLY H H 8.804 0.005 1 368 37 37 GLY HA2 H 3.629 0.005 2 369 37 37 GLY HA3 H 4.120 0.001 2 370 37 37 GLY C C 175.178 0.005 1 371 37 37 GLY CA C 45.826 0.005 1 372 37 37 GLY N N 116.962 0.005 1 373 38 38 HIS H H 8.667 0.005 1 374 38 38 HIS HA H 4.666 0.002 1 375 38 38 HIS HB2 H 2.828 0.001 2 376 38 38 HIS HB3 H 3.674 0.003 2 377 38 38 HIS HD2 H 7.069 0.005 1 378 38 38 HIS HE1 H 8.383 0.005 1 379 38 38 HIS C C 175.347 0.005 1 380 38 38 HIS CA C 56.138 0.005 1 381 38 38 HIS CB C 30.827 0.005 1 382 38 38 HIS CD2 C 118.336 0.005 1 383 38 38 HIS CE1 C 136.301 0.005 1 384 38 38 HIS N N 119.055 0.005 1 385 39 39 GLY H H 9.324 0.005 1 386 39 39 GLY HA2 H 3.977 0.002 2 387 39 39 GLY C C 175.572 0.005 1 388 39 39 GLY CA C 47.076 0.005 1 389 39 39 GLY N N 116.486 0.005 1 390 40 40 SER H H 9.324 0.005 1 391 40 40 SER HA H 4.373 0.005 1 392 40 40 SER HB2 H 4.009 0.005 2 393 40 40 SER HB3 H 4.071 0.001 2 394 40 40 SER C C 175.685 0.005 1 395 40 40 SER CA C 60.825 0.005 1 396 40 40 SER CB C 63.950 0.005 1 397 40 40 SER N N 116.486 0.005 1 398 41 41 LEU H H 7.435 0.005 1 399 41 41 LEU HA H 4.506 0.003 1 400 41 41 LEU HB2 H 1.092 0.001 2 401 41 41 LEU HB3 H 1.265 0.005 2 402 41 41 LEU HD1 H -0.194 0.001 2 403 41 41 LEU HD2 H 0.115 0.001 2 404 41 41 LEU HG H 0.887 0.001 1 405 41 41 LEU C C 175.591 0.005 1 406 41 41 LEU CA C 52.388 0.005 1 407 41 41 LEU CB C 43.951 0.005 1 408 41 41 LEU CD1 C 23.953 0.005 2 409 41 41 LEU CD2 C 22.390 0.005 2 410 41 41 LEU CG C 27.077 0.005 1 411 41 41 LEU N N 119.825 0.005 1 412 42 42 ILE H H 7.442 0.005 1 413 42 42 ILE HA H 3.857 0.002 1 414 42 42 ILE HB H 1.832 0.005 1 415 42 42 ILE HD1 H 0.695 0.001 1 416 42 42 ILE HG12 H 0.969 0.004 2 417 42 42 ILE HG13 H 1.292 0.001 2 418 42 42 ILE HG2 H 0.283 0.009 1 419 42 42 ILE C C 177.978 0.005 1 420 42 42 ILE CA C 62.388 0.005 1 421 42 42 ILE CB C 38.327 0.005 1 422 42 42 ILE CD1 C 14.891 0.005 1 423 42 42 ILE CG1 C 25.827 0.005 1 424 42 42 ILE CG2 C 18.328 0.005 1 425 42 42 ILE N N 121.880 0.005 1 426 43 43 SER H H 8.676 0.005 1 427 43 43 SER HB2 H 3.855 0.003 2 428 43 43 SER HB3 H 4.038 0.005 2 429 43 43 SER C C 177.935 0.005 1 430 43 43 SER CA C 62.065 0.005 1 431 43 43 SER CB C 62.075 0.005 1 432 43 43 SER N N 121.197 0.005 1 433 44 44 GLY H H 8.983 0.005 1 434 44 44 GLY HA2 H 3.597 0.001 2 435 44 44 GLY HA3 H 3.932 0.004 2 436 44 44 GLY C C 175.375 0.005 1 437 44 44 GLY CA C 46.764 0.005 1 438 44 44 GLY N N 105.697 0.005 1 439 45 45 LEU H H 6.935 0.005 1 440 45 45 LEU HA H 3.981 0.002 1 441 45 45 LEU HB2 H 0.406 0.003 2 442 45 45 LEU HB3 H 1.403 0.003 2 443 45 45 LEU HD1 H -0.046 0.001 2 444 45 45 LEU HD2 H 0.009 0.004 2 445 45 45 LEU HG H 0.964 0.005 1 446 45 45 LEU C C 176.838 0.005 1 447 45 45 LEU CA C 56.451 0.005 1 448 45 45 LEU CB C 42.389 0.005 1 449 45 45 LEU CD1 C 24.265 0.005 2 450 45 45 LEU CD2 C 22.078 0.005 2 451 45 45 LEU CG C 26.140 0.005 1 452 45 45 LEU N N 118.798 0.005 1 453 46 46 GLU H H 7.661 0.005 1 454 46 46 GLU HA H 3.734 0.005 1 455 46 46 GLU HB2 H 1.797 0.005 2 456 46 46 GLU HB3 H 1.957 0.002 2 457 46 46 GLU HG2 H 1.886 0.001 2 458 46 46 GLU HG3 H 2.162 0.001 2 459 46 46 GLU C C 179.285 0.005 1 460 46 46 GLU CA C 62.388 0.005 1 461 46 46 GLU CB C 29.265 0.005 1 462 46 46 GLU CG C 38.327 0.005 1 463 46 46 GLU N N 118.541 0.005 1 464 47 47 THR H H 8.314 0.005 1 465 47 47 THR HA H 4.037 0.005 1 466 47 47 THR HB H 4.068 0.001 1 467 47 47 THR HG2 H 1.240 0.001 1 468 47 47 THR C C 176.304 0.005 1 469 47 47 THR CA C 65.825 0.005 1 470 47 47 THR CB C 68.950 0.005 1 471 47 47 THR CG2 C 22.078 0.005 1 472 47 47 THR N N 111.348 0.005 1 473 48 48 ALA H H 6.904 0.005 1 474 48 48 ALA HA H 4.245 0.003 1 475 48 48 ALA HB H 1.578 0.005 1 476 48 48 ALA C C 178.723 0.005 1 477 48 48 ALA CA C 53.951 0.005 1 478 48 48 ALA CB C 19.578 0.005 1 479 48 48 ALA N N 122.137 0.005 1 480 49 49 LEU H H 7.800 0.005 1 481 49 49 LEU HA H 3.975 0.001 1 482 49 49 LEU HB2 H 1.572 0.003 2 483 49 49 LEU HB3 H 2.148 0.005 2 484 49 49 LEU HD1 H 0.893 0.005 2 485 49 49 LEU HD2 H 0.852 0.005 2 486 49 49 LEU HG H 1.780 0.005 1 487 49 49 LEU C C 176.979 0.005 1 488 49 49 LEU CA C 57.388 0.005 1 489 49 49 LEU CB C 43.639 0.005 1 490 49 49 LEU CD1 C 26.765 0.005 2 491 49 49 LEU CD2 C 24.890 0.005 2 492 49 49 LEU CG C 28.640 0.005 1 493 49 49 LEU N N 116.486 0.005 1 494 50 50 GLU H H 7.061 0.005 1 495 50 50 GLU HA H 3.303 0.003 1 496 50 50 GLU HB2 H 2.071 0.004 2 497 50 50 GLU HB3 H 2.236 0.002 2 498 50 50 GLU HG2 H 2.243 0.003 2 499 50 50 GLU HG3 H 2.341 0.001 2 500 50 50 GLU C C 176.669 0.005 1 501 50 50 GLU CA C 58.950 0.005 1 502 50 50 GLU CB C 29.890 0.005 1 503 50 50 GLU CG C 35.827 0.005 1 504 50 50 GLU N N 118.027 0.005 1 505 51 51 GLY H H 8.646 0.005 1 506 51 51 GLY HA2 H 3.564 0.003 2 507 51 51 GLY HA3 H 4.250 0.013 2 508 51 51 GLY C C 173.969 0.005 1 509 51 51 GLY CA C 45.514 0.005 1 510 51 51 GLY N N 112.890 0.005 1 511 52 52 HIS H H 7.780 0.005 1 512 52 52 HIS HA H 4.381 0.001 1 513 52 52 HIS HB2 H 3.256 0.003 2 514 52 52 HIS HB3 H 3.453 0.002 2 515 52 52 HIS HD2 H 7.372 0.005 1 516 52 52 HIS C C 172.854 0.005 1 517 52 52 HIS CA C 57.700 0.005 1 518 52 52 HIS CB C 28.952 0.005 1 519 52 52 HIS CD2 C 120.667 0.005 1 520 52 52 HIS N N 116.486 0.005 1 521 53 53 GLU H H 8.407 0.005 1 522 53 53 GLU HA H 4.757 0.005 1 523 53 53 GLU HB2 H 1.928 0.191 2 524 53 53 GLU HB3 H 2.150 0.002 2 525 53 53 GLU C C 176.270 0.005 1 526 53 53 GLU CA C 54.790 0.005 1 527 53 53 GLU CB C 33.639 0.005 1 528 53 53 GLU N N 118.541 0.005 1 529 54 54 VAL H H 8.537 0.005 1 530 54 54 VAL HA H 3.295 0.002 1 531 54 54 VAL HB H 1.898 0.001 1 532 54 54 VAL HG1 H 0.745 0.005 2 533 54 54 VAL HG2 H 0.995 0.003 2 534 54 54 VAL C C 177.176 0.005 1 535 54 54 VAL CA C 65.825 0.005 1 536 54 54 VAL CB C 31.452 0.005 1 537 54 54 VAL CG1 C 22.078 0.005 2 538 54 54 VAL CG2 C 23.328 0.005 2 539 54 54 VAL N N 119.311 0.005 1 540 55 55 GLY H H 9.002 0.005 1 541 55 55 GLY HA2 H 3.935 0.003 2 542 55 55 GLY HA3 H 4.523 0.001 2 543 55 55 GLY C C 174.922 0.005 1 544 55 55 GLY CA C 44.576 0.005 1 545 55 55 GLY N N 117.513 0.005 1 546 56 56 ASP H H 8.224 0.005 1 547 56 56 ASP HA H 4.598 0.005 1 548 56 56 ASP HB2 H 2.895 0.005 2 549 56 56 ASP HB3 H 3.095 0.003 2 550 56 56 ASP C C 174.982 0.005 1 551 56 56 ASP CA C 55.766 0.005 1 552 56 56 ASP CB C 40.827 0.005 1 553 56 56 ASP N N 122.651 0.005 1 554 57 57 LYS H H 8.240 0.005 1 555 57 57 LYS HA H 5.530 0.461 1 556 57 57 LYS HB2 H 1.627 0.005 2 557 57 57 LYS HB3 H 1.833 0.005 2 558 57 57 LYS HD2 H 1.637 0.001 2 559 57 57 LYS HE2 H 2.924 0.005 2 560 57 57 LYS C C 174.279 0.005 1 561 57 57 LYS CA C 55.201 0.312 1 562 57 57 LYS CB C 35.514 0.005 1 563 57 57 LYS CD C 29.308 0.005 1 564 57 57 LYS CE C 41.626 0.005 1 565 57 57 LYS N N 121.880 0.005 1 566 58 58 PHE H H 8.443 0.005 1 567 58 58 PHE HA H 4.945 0.003 1 568 58 58 PHE HB2 H 3.081 0.001 2 569 58 58 PHE HB3 H 3.326 0.002 2 570 58 58 PHE HD1 H 6.658 0.005 3 571 58 58 PHE HE1 H 6.404 0.005 3 572 58 58 PHE HZ H 6.446 0.005 1 573 58 58 PHE C C 171.598 0.005 1 574 58 58 PHE CA C 56.138 0.005 1 575 58 58 PHE CB C 39.264 0.005 1 576 58 58 PHE CD1 C 131.820 0.005 3 577 58 58 PHE CE1 C 128.657 0.005 3 578 58 58 PHE CZ C 128.324 0.005 1 579 58 58 PHE N N 120.596 0.005 1 580 59 59 ASP H H 8.493 0.005 1 581 59 59 ASP HA H 5.821 0.003 1 582 59 59 ASP HB2 H 2.602 0.013 2 583 59 59 ASP HB3 H 2.664 0.003 2 584 59 59 ASP C C 176.340 0.005 1 585 59 59 ASP CA C 52.701 0.005 1 586 59 59 ASP CB C 43.951 0.005 1 587 59 59 ASP N N 118.541 0.005 1 588 60 60 VAL H H 9.001 0.005 1 589 60 60 VAL HA H 4.456 0.003 1 590 60 60 VAL HB H 1.967 0.002 1 591 60 60 VAL HG1 H 0.768 0.001 2 592 60 60 VAL HG2 H 0.883 0.002 2 593 60 60 VAL C C 173.225 0.005 1 594 60 60 VAL CA C 61.450 0.005 1 595 60 60 VAL CB C 35.514 0.005 1 596 60 60 VAL CG1 C 20.515 0.005 2 597 60 60 VAL CG2 C 21.765 0.005 2 598 60 60 VAL N N 119.311 0.005 1 599 61 61 ALA H H 8.835 0.005 1 600 61 61 ALA HA H 5.180 0.001 1 601 61 61 ALA HB H 1.404 0.002 1 602 61 61 ALA C C 176.544 0.005 1 603 61 61 ALA CA C 51.138 0.005 1 604 61 61 ALA CB C 19.578 0.005 1 605 61 61 ALA N N 132.669 0.005 1 606 62 62 VAL H H 9.035 0.005 1 607 62 62 VAL HA H 4.313 0.001 1 608 62 62 VAL HB H 1.908 0.001 1 609 62 62 VAL HG1 H 0.657 0.001 2 610 62 62 VAL HG2 H 0.927 0.002 2 611 62 62 VAL C C 174.785 0.005 1 612 62 62 VAL CA C 61.138 0.005 1 613 62 62 VAL CB C 34.577 0.005 1 614 62 62 VAL CG1 C 21.453 0.005 2 615 62 62 VAL CG2 C 23.640 0.005 2 616 62 62 VAL N N 123.550 0.005 1 617 63 63 GLY H H 9.084 0.005 1 618 63 63 GLY HA2 H 3.705 0.002 2 619 63 63 GLY HA3 H 4.309 0.001 2 620 63 63 GLY C C 175.291 0.005 1 621 63 63 GLY CA C 44.576 0.005 1 622 63 63 GLY N N 114.945 0.005 1 623 64 64 ALA H H 8.228 0.005 1 624 64 64 ALA HA H 4.092 0.003 1 625 64 64 ALA HB H 1.106 0.005 1 626 64 64 ALA C C 180.270 0.005 1 627 64 64 ALA CA C 55.826 0.005 1 628 64 64 ALA CB C 18.328 0.005 1 629 64 64 ALA N N 122.651 0.005 1 630 65 65 ASN H H 8.829 0.005 1 631 65 65 ASN HA H 4.306 0.004 1 632 65 65 ASN HB2 H 2.663 0.002 2 633 65 65 ASN HB3 H 2.727 0.001 2 634 65 65 ASN C C 176.107 0.005 1 635 65 65 ASN CA C 56.138 0.005 1 636 65 65 ASN CB C 37.702 0.005 1 637 65 65 ASN N N 114.174 0.005 1 638 66 66 ASP H H 7.708 0.005 1 639 66 66 ASP HA H 4.757 0.005 1 640 66 66 ASP HB2 H 2.441 0.001 2 641 66 66 ASP HB3 H 2.670 0.005 2 642 66 66 ASP C C 173.182 0.005 1 643 66 66 ASP CA C 53.732 0.005 1 644 66 66 ASP CB C 42.076 0.005 1 645 66 66 ASP N N 117.513 0.005 1 646 67 67 ALA H H 7.542 0.005 1 647 67 67 ALA HA H 4.377 0.006 1 648 67 67 ALA HB H 1.264 0.002 1 649 67 67 ALA C C 175.769 0.005 1 650 67 67 ALA CA C 50.826 0.005 1 651 67 67 ALA CB C 18.640 0.005 1 652 67 67 ALA N N 124.192 0.005 1 653 68 68 TYR H H 8.477 0.005 1 654 68 68 TYR HA H 4.278 0.005 1 655 68 68 TYR HB2 H 2.811 0.004 2 656 68 68 TYR HD1 H 6.741 0.005 3 657 68 68 TYR HE1 H 6.484 0.005 3 658 68 68 TYR C C 176.726 0.005 1 659 68 68 TYR CA C 59.575 0.005 1 660 68 68 TYR CB C 37.077 0.005 1 661 68 68 TYR CD1 C 132.485 0.005 3 662 68 68 TYR CE1 C 117.504 0.005 3 663 68 68 TYR N N 120.339 0.005 1 664 69 69 GLY H H 8.234 0.005 1 665 69 69 GLY HA2 H 4.345 0.002 2 666 69 69 GLY HA3 H 3.719 0.002 2 667 69 69 GLY C C 173.210 0.005 1 668 69 69 GLY CA C 44.889 0.005 1 669 69 69 GLY N N 108.266 0.005 1 670 70 70 GLN H H 8.525 0.005 1 671 70 70 GLN HA H 4.229 0.005 1 672 70 70 GLN HB2 H 1.841 0.005 2 673 70 70 GLN HB3 H 2.187 0.001 2 674 70 70 GLN HG2 H 2.475 0.001 2 675 70 70 GLN CA C 54.888 0.005 1 676 70 70 GLN CB C 28.952 0.005 1 677 70 70 GLN CG C 33.015 0.005 1 678 70 70 GLN N N 116.486 0.005 1 679 71 71 TYR H H 9.050 0.005 1 680 71 71 TYR HA H 3.852 0.003 1 681 71 71 TYR HB2 H 2.597 0.001 2 682 71 71 TYR HB3 H 2.883 0.001 2 683 71 71 TYR HD1 H 6.849 0.005 3 684 71 71 TYR HE1 H 6.733 0.005 3 685 71 71 TYR CA C 59.888 0.005 1 686 71 71 TYR CB C 38.952 0.005 1 687 71 71 TYR CD1 C 132.652 0.005 3 688 71 71 TYR CE1 C 118.669 0.005 3 689 71 71 TYR N N 124.538 0.005 1 690 72 72 ASP H H 8.904 0.005 1 691 72 72 ASP HA H 4.844 0.005 1 692 72 72 ASP HB2 H 2.374 0.002 2 693 72 72 ASP HB3 H 2.851 0.001 2 694 72 72 ASP CA C 52.477 0.005 1 695 72 72 ASP CB C 42.389 0.005 1 696 72 72 ASP N N 129.422 0.005 1 697 73 73 GLU H H 9.484 0.005 1 698 73 73 GLU HA H 4.007 0.002 1 699 73 73 GLU HB2 H 2.125 0.005 2 700 73 73 GLU HB3 H 2.224 0.002 2 701 73 73 GLU HG2 H 2.430 0.002 2 702 73 73 GLU C C 177.626 0.005 1 703 73 73 GLU CA C 59.263 0.005 1 704 73 73 GLU CB C 29.265 0.005 1 705 73 73 GLU CG C 36.452 0.005 1 706 73 73 GLU N N 129.165 0.005 1 707 74 74 ASN H H 8.796 0.005 1 708 74 74 ASN HA H 4.609 0.005 1 709 74 74 ASN HB2 H 2.767 0.002 2 710 74 74 ASN HB3 H 2.916 0.001 2 711 74 74 ASN C C 176.247 0.005 1 712 74 74 ASN CA C 54.971 0.005 1 713 74 74 ASN CB C 38.014 0.005 1 714 74 74 ASN N N 116.229 0.005 1 715 75 75 LEU H H 7.387 0.005 1 716 75 75 LEU HA H 4.370 0.003 1 717 75 75 LEU HB2 H 1.384 0.003 2 718 75 75 LEU HB3 H 1.711 0.002 2 719 75 75 LEU HD1 H 0.704 0.004 2 720 75 75 LEU HD2 H 0.763 0.001 2 721 75 75 LEU HG H 1.395 0.002 1 722 75 75 LEU C C 175.826 0.005 1 723 75 75 LEU CA C 53.951 0.005 1 724 75 75 LEU CB C 41.451 0.005 1 725 75 75 LEU CD1 C 22.390 0.005 2 726 75 75 LEU CD2 C 25.203 0.005 2 727 75 75 LEU CG C 26.452 0.005 1 728 75 75 LEU N N 116.743 0.005 1 729 76 76 VAL H H 7.281 0.005 1 730 76 76 VAL HA H 5.056 0.001 1 731 76 76 VAL HB H 2.147 0.001 1 732 76 76 VAL HG1 H 0.867 0.001 2 733 76 76 VAL C C 175.782 0.005 1 734 76 76 VAL CA C 61.763 0.005 1 735 76 76 VAL CB C 31.765 0.005 1 736 76 76 VAL CG1 C 21.140 0.005 2 737 76 76 VAL N N 124.192 0.005 1 738 77 77 GLN H H 8.892 0.005 1 739 77 77 GLN HA H 4.757 0.005 1 740 77 77 GLN HB2 H 1.748 0.005 2 741 77 77 GLN HB3 H 2.153 0.001 2 742 77 77 GLN C C 173.621 0.005 1 743 77 77 GLN CA C 54.139 0.005 1 744 77 77 GLN CB C 33.327 0.005 1 745 77 77 GLN N N 124.192 0.005 1 746 78 78 ARG H H 8.617 0.005 1 747 78 78 ARG HA H 5.182 0.005 1 748 78 78 ARG HB2 H 1.526 0.005 2 749 78 78 ARG HB3 H 1.581 0.005 2 750 78 78 ARG HD2 H 2.756 0.001 2 751 78 78 ARG HD3 H 2.885 0.002 2 752 78 78 ARG HG2 H 1.317 0.001 2 753 78 78 ARG HG3 H 1.471 0.001 2 754 78 78 ARG C C 176.247 0.005 1 755 78 78 ARG CA C 55.513 0.005 1 756 78 78 ARG CB C 31.140 0.005 1 757 78 78 ARG CD C 42.791 0.005 1 758 78 78 ARG CG C 28.640 0.005 1 759 78 78 ARG N N 122.908 0.005 1 760 79 79 VAL H H 9.384 0.005 1 761 79 79 VAL HA H 4.885 0.005 1 762 79 79 VAL HB H 2.144 0.006 1 763 79 79 VAL HG1 H 0.897 0.001 2 764 79 79 VAL HG2 H 0.975 0.002 2 765 79 79 VAL CA C 58.425 0.005 1 766 79 79 VAL CB C 34.889 0.005 1 767 79 79 VAL CG1 C 20.828 0.005 2 768 79 79 VAL CG2 C 21.453 0.005 2 769 79 79 VAL N N 124.706 0.005 1 770 80 80 PRO HA H 4.416 0.001 1 771 80 80 PRO HB2 H 2.013 0.008 2 772 80 80 PRO HB3 H 2.392 0.005 2 773 80 80 PRO HD2 H 3.702 0.005 2 774 80 80 PRO HD3 H 3.983 0.003 2 775 80 80 PRO HG2 H 1.998 0.001 2 776 80 80 PRO HG3 H 2.138 0.002 2 777 80 80 PRO C C 174.434 0.005 1 778 80 80 PRO CA C 63.013 0.005 1 779 80 80 PRO CB C 32.390 0.005 1 780 80 80 PRO CD C 51.451 0.005 1 781 80 80 PRO CG C 27.810 0.005 1 782 81 81 LYS H H 7.909 0.005 1 783 81 81 LYS HA H 3.866 0.005 1 784 81 81 LYS HB2 H 1.810 0.009 2 785 81 81 LYS HB3 H 1.545 0.002 2 786 81 81 LYS HD2 H 1.602 0.002 2 787 81 81 LYS HE2 H 2.719 0.005 2 788 81 81 LYS HE3 H 2.776 0.005 2 789 81 81 LYS HG2 H 1.143 0.004 2 790 81 81 LYS HG3 H 1.206 0.005 2 791 81 81 LYS C C 177.851 0.005 1 792 81 81 LYS CA C 59.888 0.005 1 793 81 81 LYS CB C 32.702 0.005 1 794 81 81 LYS CD C 29.577 0.005 1 795 81 81 LYS CE C 41.959 0.005 1 796 81 81 LYS CG C 27.077 0.005 1 797 81 81 LYS N N 120.082 0.005 1 798 82 82 ASP H H 8.179 0.005 1 799 82 82 ASP HA H 4.314 0.005 1 800 82 82 ASP HB2 H 2.599 0.005 2 801 82 82 ASP HB3 H 2.695 0.005 2 802 82 82 ASP C C 177.204 0.005 1 803 82 82 ASP CA C 55.201 0.005 1 804 82 82 ASP CB C 39.889 0.005 1 805 82 82 ASP N N 115.458 0.005 1 806 83 83 VAL H H 7.239 0.005 1 807 83 83 VAL HA H 3.790 0.001 1 808 83 83 VAL HB H 1.826 0.005 1 809 83 83 VAL HG1 H 0.465 0.001 2 810 83 83 VAL HG2 H 0.642 0.002 2 811 83 83 VAL C C 175.713 0.005 1 812 83 83 VAL CA C 63.950 0.005 1 813 83 83 VAL CB C 31.452 0.005 1 814 83 83 VAL CG1 C 20.828 0.005 2 815 83 83 VAL CG2 C 21.318 0.005 2 816 83 83 VAL N N 116.486 0.005 1 817 84 84 PHE H H 7.438 0.005 1 818 84 84 PHE HA H 4.472 0.003 1 819 84 84 PHE HB2 H 2.715 0.001 2 820 84 84 PHE HB3 H 2.923 0.001 2 821 84 84 PHE HD1 H 6.905 0.005 3 822 84 84 PHE HE1 H 6.727 0.005 3 823 84 84 PHE C C 175.387 0.005 1 824 84 84 PHE CA C 57.076 0.005 1 825 84 84 PHE CB C 38.952 0.005 1 826 84 84 PHE CD1 C 131.487 0.005 3 827 84 84 PHE CE1 C 131.154 0.005 3 828 84 84 PHE N N 119.311 0.005 1 829 85 85 MET H H 7.844 0.005 1 830 85 85 MET HA H 4.348 0.001 1 831 85 85 MET HB2 H 2.042 0.004 2 832 85 85 MET HE H 2.059 0.005 1 833 85 85 MET HG2 H 2.501 0.005 2 834 85 85 MET HG3 H 2.567 0.002 2 835 85 85 MET C C 176.866 0.005 1 836 85 85 MET CA C 56.451 0.005 1 837 85 85 MET CB C 32.702 0.005 1 838 85 85 MET CE C 16.766 0.005 1 839 85 85 MET CG C 31.452 0.005 1 840 85 85 MET N N 120.596 0.005 1 841 86 86 GLY H H 8.576 0.005 1 842 86 86 GLY HA2 H 3.873 0.001 2 843 86 86 GLY HA3 H 4.007 0.001 2 844 86 86 GLY C C 174.279 0.005 1 845 86 86 GLY CA C 45.826 0.005 1 846 86 86 GLY N N 110.578 0.005 1 847 87 87 VAL H H 7.633 0.005 1 848 87 87 VAL HA H 4.161 0.002 1 849 87 87 VAL HB H 2.105 0.001 1 850 87 87 VAL HG1 H 0.844 0.005 2 851 87 87 VAL HG2 H 0.851 0.001 2 852 87 87 VAL C C 175.685 0.005 1 853 87 87 VAL CA C 61.763 0.005 1 854 87 87 VAL CB C 32.390 0.005 1 855 87 87 VAL CG1 C 20.515 0.005 2 856 87 87 VAL CG2 C 21.765 0.005 2 857 87 87 VAL N N 118.541 0.005 1 858 88 88 ASP H H 8.350 0.005 1 859 88 88 ASP HA H 4.490 0.003 1 860 88 88 ASP HB2 H 2.572 0.005 2 861 88 88 ASP HB3 H 2.669 0.001 2 862 88 88 ASP C C 176.051 0.005 1 863 88 88 ASP CA C 55.513 0.005 1 864 88 88 ASP CB C 41.451 0.005 1 865 88 88 ASP N N 123.935 0.005 1 866 89 89 GLU H H 7.904 0.005 1 867 89 89 GLU HA H 4.315 0.003 1 868 89 89 GLU HB2 H 1.853 0.003 2 869 89 89 GLU HB3 H 1.909 0.005 2 870 89 89 GLU HG2 H 2.102 0.004 2 871 89 89 GLU HG3 H 2.145 0.004 2 872 89 89 GLU C C 174.969 0.005 1 873 89 89 GLU CA C 55.513 0.005 1 874 89 89 GLU CB C 30.515 0.005 1 875 89 89 GLU CG C 36.139 0.005 1 876 89 89 GLU N N 118.798 0.005 1 877 90 90 LEU H H 8.127 0.005 1 878 90 90 LEU HA H 4.203 0.002 1 879 90 90 LEU HB2 H 1.067 0.002 2 880 90 90 LEU HB3 H 1.558 0.005 2 881 90 90 LEU HD1 H 0.453 0.004 2 882 90 90 LEU HD2 H 0.610 0.005 2 883 90 90 LEU HG H 1.456 0.002 1 884 90 90 LEU C C 175.769 0.005 1 885 90 90 LEU CA C 54.888 0.005 1 886 90 90 LEU CB C 42.701 0.005 1 887 90 90 LEU CD1 C 23.640 0.005 2 888 90 90 LEU CD2 C 25.827 0.005 2 889 90 90 LEU CG C 26.765 0.005 1 890 90 90 LEU N N 123.935 0.005 1 891 91 91 GLN H H 7.422 0.005 1 892 91 91 GLN HA H 4.622 0.002 1 893 91 91 GLN HB2 H 1.752 0.001 2 894 91 91 GLN HB3 H 2.097 0.004 2 895 91 91 GLN HG2 H 2.257 0.005 2 896 91 91 GLN HG3 H 2.291 0.007 2 897 91 91 GLN C C 175.404 0.005 1 898 91 91 GLN CA C 53.638 0.005 1 899 91 91 GLN CB C 32.702 0.005 1 900 91 91 GLN CG C 32.804 0.005 1 901 91 91 GLN N N 119.825 0.005 1 902 92 92 VAL H H 8.512 0.005 1 903 92 92 VAL HA H 3.371 0.001 1 904 92 92 VAL HB H 1.916 0.002 1 905 92 92 VAL HG1 H 0.925 0.002 2 906 92 92 VAL C C 177.147 0.005 1 907 92 92 VAL CA C 64.888 0.005 1 908 92 92 VAL CB C 31.765 0.005 1 909 92 92 VAL CG1 C 21.765 0.005 2 910 92 92 VAL N N 121.109 0.005 1 911 93 93 GLY H H 9.104 0.005 1 912 93 93 GLY HA2 H 3.844 0.002 2 913 93 93 GLY HA3 H 4.401 0.005 2 914 93 93 GLY C C 174.672 0.005 1 915 93 93 GLY CA C 44.576 0.005 1 916 93 93 GLY N N 115.972 0.005 1 917 94 94 MET H H 7.546 0.005 1 918 94 94 MET HA H 4.315 0.002 1 919 94 94 MET HB2 H 1.815 0.001 2 920 94 94 MET HB3 H 1.899 0.003 2 921 94 94 MET HE H 2.111 0.001 1 922 94 94 MET HG2 H 2.451 0.005 2 923 94 94 MET HG3 H 2.528 0.005 2 924 94 94 MET C C 174.729 0.005 1 925 94 94 MET CA C 56.451 0.005 1 926 94 94 MET CB C 33.639 0.005 1 927 94 94 MET CE C 17.703 0.005 1 928 94 94 MET CG C 32.304 0.005 1 929 94 94 MET N N 119.825 0.005 1 930 95 95 ARG H H 8.250 0.005 1 931 95 95 ARG HA H 5.417 0.020 1 932 95 95 ARG HB2 H 1.545 0.019 2 933 95 95 ARG HB3 H 1.744 0.004 2 934 95 95 ARG HD2 H 3.043 0.001 2 935 95 95 ARG HD3 H 3.135 0.005 2 936 95 95 ARG HG2 H 1.678 0.006 2 937 95 95 ARG HG3 H 1.444 0.002 2 938 95 95 ARG C C 175.506 0.005 1 939 95 95 ARG CA C 54.888 0.005 1 940 95 95 ARG CB C 32.637 0.005 1 941 95 95 ARG CD C 43.124 0.005 1 942 95 95 ARG CG C 28.015 0.005 1 943 95 95 ARG N N 121.880 0.005 1 944 96 96 PHE H H 8.562 0.005 1 945 96 96 PHE HA H 4.804 0.005 1 946 96 96 PHE HB2 H 2.730 0.005 2 947 96 96 PHE HB3 H 3.219 0.001 2 948 96 96 PHE HD1 H 6.980 0.005 3 949 96 96 PHE HE1 H 6.997 0.005 3 950 96 96 PHE HZ H 7.091 0.005 1 951 96 96 PHE CA C 55.928 0.005 1 952 96 96 PHE CB C 42.389 0.005 1 953 96 96 PHE CD1 C 131.820 0.005 3 954 96 96 PHE CE1 C 129.156 0.005 3 955 96 96 PHE CZ C 130.654 0.005 1 956 96 96 PHE N N 119.311 0.005 1 957 97 97 LEU HA H 4.696 0.005 1 958 97 97 LEU C C 175.712 0.005 1 959 97 97 LEU CA C 54.248 0.005 1 960 98 98 ALA H H 8.917 0.005 1 961 98 98 ALA HA H 4.745 0.005 1 962 98 98 ALA HB H 1.246 0.001 1 963 98 98 ALA C C 176.472 0.005 1 964 98 98 ALA CA C 50.669 0.005 1 965 98 98 ALA CB C 21.453 0.005 1 966 98 98 ALA N N 128.816 0.005 1 967 99 99 GLU H H 8.582 0.005 1 968 99 99 GLU HA H 4.232 0.002 1 969 99 99 GLU HB2 H 1.951 0.003 2 970 99 99 GLU HG2 H 2.155 0.002 2 971 99 99 GLU HG3 H 2.235 0.002 2 972 99 99 GLU C C 176.388 0.005 1 973 99 99 GLU CA C 56.763 0.005 1 974 99 99 GLU CB C 29.577 0.005 1 975 99 99 GLU CG C 35.827 0.005 1 976 99 99 GLU N N 121.623 0.005 1 977 100 100 THR H H 7.488 0.005 1 978 100 100 THR HA H 4.885 0.005 1 979 100 100 THR HB H 4.477 0.001 1 980 100 100 THR HG1 H 1.132 0.005 1 981 100 100 THR HG2 H 1.140 0.005 1 982 100 100 THR C C 175.991 0.005 1 983 100 100 THR CA C 60.395 0.005 1 984 100 100 THR CB C 73.949 0.005 1 985 100 100 THR CG2 C 21.140 0.005 1 986 100 100 THR N N 114.945 0.005 1 987 101 101 ASP H H 9.070 0.005 1 988 101 101 ASP HA H 4.431 0.002 1 989 101 101 ASP HB2 H 2.730 0.003 2 990 101 101 ASP C C 176.866 0.005 1 991 101 101 ASP CA C 56.763 0.005 1 992 101 101 ASP CB C 39.889 0.005 1 993 101 101 ASP N N 120.853 0.005 1 994 102 102 GLN H H 8.053 0.005 1 995 102 102 GLN HA H 4.504 0.002 1 996 102 102 GLN HB2 H 1.766 0.002 2 997 102 102 GLN HB3 H 2.277 0.004 2 998 102 102 GLN HG2 H 2.288 0.004 2 999 102 102 GLN HG3 H 2.319 0.005 2 1000 102 102 GLN C C 175.319 0.005 1 1001 102 102 GLN CA C 55.201 0.005 1 1002 102 102 GLN CB C 29.265 0.005 1 1003 102 102 GLN CG C 33.952 0.005 1 1004 102 102 GLN N N 116.486 0.005 1 1005 103 103 GLY H H 7.533 0.005 1 1006 103 103 GLY HA2 H 3.944 0.001 2 1007 103 103 GLY HA3 H 4.583 0.001 2 1008 103 103 GLY CA C 43.951 0.005 1 1009 103 103 GLY N N 109.550 0.005 1 1010 104 104 PRO HA H 5.144 0.002 1 1011 104 104 PRO HB2 H 1.770 0.006 2 1012 104 104 PRO HB3 H 2.152 0.005 2 1013 104 104 PRO HD2 H 3.635 0.003 2 1014 104 104 PRO HD3 H 3.690 0.002 2 1015 104 104 PRO HG2 H 2.061 0.003 2 1016 104 104 PRO HG3 H 2.143 0.001 2 1017 104 104 PRO C C 177.897 0.005 1 1018 104 104 PRO CA C 62.388 0.005 1 1019 104 104 PRO CB C 31.765 0.005 1 1020 104 104 PRO CD C 49.576 0.005 1 1021 104 104 PRO CG C 27.390 0.005 1 1022 105 105 VAL H H 9.063 0.005 1 1023 105 105 VAL HA H 4.748 0.005 1 1024 105 105 VAL HB H 2.135 0.005 1 1025 105 105 VAL HG1 H 0.845 0.002 2 1026 105 105 VAL CA C 58.258 0.005 1 1027 105 105 VAL CB C 31.765 0.005 1 1028 105 105 VAL CG1 C 20.203 0.005 2 1029 105 105 VAL N N 122.908 0.005 1 1030 106 106 PRO HA H 4.851 0.005 1 1031 106 106 PRO HB2 H 1.848 0.001 2 1032 106 106 PRO HB3 H 2.103 0.005 2 1033 106 106 PRO HD2 H 3.727 0.002 2 1034 106 106 PRO HG2 H 1.897 0.002 2 1035 106 106 PRO HG3 H 2.148 0.005 2 1036 106 106 PRO C C 176.866 0.005 1 1037 106 106 PRO CA C 62.384 0.005 1 1038 106 106 PRO CB C 31.452 0.005 1 1039 106 106 PRO CD C 50.513 0.005 1 1040 106 106 PRO CG C 27.702 0.005 1 1041 107 107 VAL H H 8.939 0.005 1 1042 107 107 VAL HA H 4.831 0.005 1 1043 107 107 VAL HB H 1.726 0.005 1 1044 107 107 VAL HG1 H 0.461 0.005 2 1045 107 107 VAL HG2 H 0.756 0.002 2 1046 107 107 VAL C C 173.806 0.005 1 1047 107 107 VAL CA C 59.068 0.005 1 1048 107 107 VAL CB C 36.452 0.005 1 1049 107 107 VAL CG1 C 19.265 0.005 2 1050 107 107 VAL CG2 C 21.453 0.005 2 1051 107 107 VAL N N 117.000 0.005 1 1052 108 108 GLU H H 7.811 0.005 1 1053 108 108 GLU HA H 5.212 0.005 1 1054 108 108 GLU HB2 H 1.898 0.002 2 1055 108 108 GLU HG2 H 1.967 0.002 2 1056 108 108 GLU C C 176.526 0.005 1 1057 108 108 GLU CA C 53.951 0.005 1 1058 108 108 GLU CB C 33.952 0.005 1 1059 108 108 GLU CG C 36.139 0.005 1 1060 108 108 GLU N N 120.082 0.005 1 1061 109 109 ILE H H 8.791 0.005 1 1062 109 109 ILE HA H 4.548 0.010 1 1063 109 109 ILE HB H 2.167 0.002 1 1064 109 109 ILE HD1 H 0.663 0.005 1 1065 109 109 ILE HG12 H 1.119 0.001 2 1066 109 109 ILE HG13 H 1.687 0.002 2 1067 109 109 ILE HG2 H 0.711 0.003 1 1068 109 109 ILE C C 177.339 0.005 1 1069 109 109 ILE CA C 61.763 0.005 1 1070 109 109 ILE CB C 37.077 0.005 1 1071 109 109 ILE CD1 C 13.328 0.005 1 1072 109 109 ILE CG1 C 28.015 0.005 1 1073 109 109 ILE CG2 C 18.328 0.005 1 1074 109 109 ILE N N 124.192 0.005 1 1075 110 110 THR H H 9.392 0.005 1 1076 110 110 THR HA H 4.617 0.003 1 1077 110 110 THR HB H 4.332 0.001 1 1078 110 110 THR HG2 H 1.238 0.005 1 1079 110 110 THR C C 174.982 0.005 1 1080 110 110 THR CA C 62.075 0.005 1 1081 110 110 THR CB C 68.950 0.005 1 1082 110 110 THR CG2 C 23.015 0.005 1 1083 110 110 THR N N 121.880 0.005 1 1084 111 111 ALA H H 7.768 0.005 1 1085 111 111 ALA HA H 4.441 0.002 1 1086 111 111 ALA HB H 1.388 0.002 1 1087 111 111 ALA C C 174.982 0.005 1 1088 111 111 ALA CA C 53.326 0.005 1 1089 111 111 ALA CB C 21.453 0.005 1 1090 111 111 ALA N N 122.651 0.005 1 1091 112 112 VAL H H 8.790 0.005 1 1092 112 112 VAL HA H 4.202 0.001 1 1093 112 112 VAL HB H 1.931 0.007 1 1094 112 112 VAL HG1 H 0.701 0.005 2 1095 112 112 VAL HG2 H 0.877 0.002 2 1096 112 112 VAL C C 174.829 0.005 1 1097 112 112 VAL CA C 63.013 0.005 1 1098 112 112 VAL CB C 33.327 0.005 1 1099 112 112 VAL CG1 C 20.828 0.005 2 1100 112 112 VAL CG2 C 21.453 0.005 2 1101 112 112 VAL N N 121.880 0.005 1 1102 113 113 GLU H H 8.237 0.005 1 1103 113 113 GLU HA H 4.708 0.005 1 1104 113 113 GLU HB2 H 1.956 0.003 2 1105 113 113 GLU C C 176.293 0.005 1 1106 113 113 GLU CA C 54.048 0.005 1 1107 113 113 GLU CB C 33.327 0.005 1 1108 113 113 GLU N N 126.761 0.005 1 1109 114 114 ASP H H 8.538 0.005 1 1110 114 114 ASP HB2 H 3.068 0.006 2 1111 114 114 ASP HB3 H 3.173 0.001 2 1112 114 114 ASP C C 174.729 0.005 1 1113 114 114 ASP CA C 56.226 0.005 1 1114 114 114 ASP CB C 43.639 0.005 1 1115 114 114 ASP N N 119.825 0.005 1 1116 115 115 ASP H H 8.519 0.005 1 1117 115 115 ASP HB2 H 2.735 0.005 2 1118 115 115 ASP HB3 H 3.241 0.005 2 1119 115 115 ASP C C 176.051 0.005 1 1120 115 115 ASP CA C 53.353 0.005 1 1121 115 115 ASP CB C 41.965 0.005 1 1122 115 115 ASP N N 121.366 0.005 1 1123 116 116 HIS H H 7.306 0.005 1 1124 116 116 HIS HA H 5.201 0.002 1 1125 116 116 HIS HB2 H 2.805 0.002 2 1126 116 116 HIS HB3 H 2.993 0.005 2 1127 116 116 HIS C C 172.478 0.005 1 1128 116 116 HIS CA C 56.138 0.005 1 1129 116 116 HIS CB C 33.327 0.005 1 1130 116 116 HIS N N 116.743 0.005 1 1131 117 117 VAL H H 9.242 0.005 1 1132 117 117 VAL HA H 4.719 0.005 1 1133 117 117 VAL HB H 2.193 0.005 1 1134 117 117 VAL HG1 H 0.844 0.056 2 1135 117 117 VAL HG2 H 0.896 0.005 2 1136 117 117 VAL C C 173.946 0.005 1 1137 117 117 VAL CA C 59.605 0.005 1 1138 117 117 VAL CB C 34.577 0.005 1 1139 117 117 VAL CG1 C 20.046 0.469 2 1140 117 117 VAL CG2 C 23.328 0.005 2 1141 117 117 VAL N N 113.660 0.005 1 1142 118 118 VAL H H 8.783 0.005 1 1143 118 118 VAL HA H 4.807 0.005 1 1144 118 118 VAL HB H 1.970 0.001 1 1145 118 118 VAL C C 175.875 0.005 1 1146 118 118 VAL CA C 62.195 0.005 1 1147 118 118 VAL CB C 32.077 0.005 1 1148 118 118 VAL N N 124.706 0.005 1 1149 119 119 VAL H H 9.157 0.005 1 1150 119 119 VAL HA H 5.316 0.001 1 1151 119 119 VAL HB H 1.885 0.001 1 1152 119 119 VAL HG1 H 0.900 0.002 2 1153 119 119 VAL C C 173.913 0.005 1 1154 119 119 VAL CA C 58.325 0.005 1 1155 119 119 VAL CB C 33.952 0.005 1 1156 119 119 VAL CG1 C 22.390 0.005 2 1157 119 119 VAL N N 121.109 0.005 1 1158 120 120 ASP H H 9.016 0.005 1 1159 120 120 ASP HA H 5.252 0.005 1 1160 120 120 ASP HB2 H 2.498 0.001 2 1161 120 120 ASP HB3 H 3.066 0.001 2 1162 120 120 ASP CA C 53.013 0.005 1 1163 120 120 ASP CB C 44.576 0.005 1 1164 120 120 ASP N N 121.109 0.005 1 1165 121 121 GLY C C 174.504 0.005 1 1166 121 121 GLY CA C 45.458 0.005 1 1167 122 122 ASN H H 8.866 0.005 1 1168 122 122 ASN HA H 4.259 0.005 1 1169 122 122 ASN HB2 H 2.259 0.001 2 1170 122 122 ASN HB3 H 2.868 0.003 2 1171 122 122 ASN C C 175.480 0.005 1 1172 122 122 ASN CA C 54.888 0.005 1 1173 122 122 ASN CB C 40.202 0.005 1 1174 122 122 ASN N N 120.596 0.005 1 1175 123 123 HIS H H 9.025 0.005 1 1176 123 123 HIS HA H 4.092 0.005 1 1177 123 123 HIS HB2 H 2.677 0.007 2 1178 123 123 HIS HB3 H 3.283 0.005 2 1179 123 123 HIS HD2 H 7.069 0.005 1 1180 123 123 HIS C C 177.372 0.005 1 1181 123 123 HIS CA C 58.950 0.005 1 1182 123 123 HIS CB C 31.140 0.005 1 1183 123 123 HIS CD2 C 118.004 0.005 1 1184 123 123 HIS N N 123.421 0.005 1 1185 124 124 MET H H 8.344 0.005 1 1186 124 124 MET HA H 4.117 0.004 1 1187 124 124 MET HB2 H 1.791 0.009 2 1188 124 124 MET HB3 H 1.940 0.002 2 1189 124 124 MET HE H 1.974 0.001 1 1190 124 124 MET HG2 H 2.285 0.002 2 1191 124 124 MET HG3 H 2.407 0.002 2 1192 124 124 MET CA C 58.950 0.005 1 1193 124 124 MET CB C 32.702 0.312 1 1194 124 124 MET CE C 17.078 0.005 1 1195 124 124 MET CG C 31.452 0.005 1 1196 124 124 MET N N 128.816 0.005 1 1197 125 125 LEU HB2 H 1.546 0.002 2 1198 125 125 LEU HB3 H 1.664 0.005 2 1199 125 125 LEU HD1 H 0.714 0.004 2 1200 125 125 LEU HD2 H 0.768 0.002 2 1201 125 125 LEU C C 177.920 0.005 1 1202 125 125 LEU CA C 53.511 0.005 1 1203 125 125 LEU CB C 41.139 0.005 1 1204 125 125 LEU CD1 C 22.703 0.005 2 1205 125 125 LEU CD2 C 25.827 0.005 2 1206 126 126 ALA H H 8.190 0.005 1 1207 126 126 ALA HA H 4.038 0.004 1 1208 126 126 ALA HB H 1.492 0.005 1 1209 126 126 ALA C C 179.088 0.005 1 1210 126 126 ALA CA C 54.263 0.005 1 1211 126 126 ALA CB C 18.640 0.005 1 1212 126 126 ALA N N 125.476 0.005 1 1213 127 127 GLY H H 9.586 0.005 1 1214 127 127 GLY HA2 H 3.678 0.003 2 1215 127 127 GLY HA3 H 4.295 0.007 2 1216 127 127 GLY C C 173.660 0.005 1 1217 127 127 GLY CA C 45.826 0.005 1 1218 127 127 GLY N N 109.550 0.005 1 1219 128 128 GLN H H 7.626 0.005 1 1220 128 128 GLN HA H 4.498 0.005 1 1221 128 128 GLN HB2 H 1.556 0.005 2 1222 128 128 GLN HG2 H 1.823 0.005 2 1223 128 128 GLN C C 174.945 0.005 1 1224 128 128 GLN CA C 54.971 0.005 1 1225 128 128 GLN CB C 27.643 0.005 1 1226 128 128 GLN CG C 26.811 0.005 1 1227 128 128 GLN N N 117.256 0.005 1 1228 129 129 ASN H H 8.777 0.005 1 1229 129 129 ASN HA H 4.951 0.008 1 1230 129 129 ASN HB2 H 2.685 0.005 2 1231 129 129 ASN HB3 H 3.057 0.001 2 1232 129 129 ASN C C 175.131 0.005 1 1233 129 129 ASN CA C 52.701 0.005 1 1234 129 129 ASN CB C 38.014 0.005 1 1235 129 129 ASN N N 122.137 0.005 1 1236 130 130 LEU H H 8.836 0.005 1 1237 130 130 LEU HA H 4.988 0.005 1 1238 130 130 LEU HB2 H 1.013 0.001 2 1239 130 130 LEU HB3 H 1.582 0.005 2 1240 130 130 LEU HD1 H 0.706 0.001 2 1241 130 130 LEU HD2 H 1.011 0.004 2 1242 130 130 LEU HG H 1.123 0.005 1 1243 130 130 LEU C C 176.135 0.005 1 1244 130 130 LEU CA C 53.638 0.005 1 1245 130 130 LEU CB C 46.764 0.005 1 1246 130 130 LEU CD1 C 23.328 0.005 2 1247 130 130 LEU CD2 C 26.765 0.005 2 1248 130 130 LEU N N 120.596 0.005 1 1249 131 131 LYS H H 8.927 0.005 1 1250 131 131 LYS HA H 5.003 0.001 1 1251 131 131 LYS HB2 H 1.546 0.001 2 1252 131 131 LYS HB3 H 1.776 0.002 2 1253 131 131 LYS HG2 H 1.621 0.005 2 1254 131 131 LYS C C 175.596 0.005 1 1255 131 131 LYS CA C 55.201 0.005 1 1256 131 131 LYS CB C 34.264 0.005 1 1257 131 131 LYS CG C 28.642 0.005 1 1258 131 131 LYS N N 121.366 0.005 1 1259 132 132 PHE H H 9.541 0.005 1 1260 132 132 PHE HA H 5.517 0.002 1 1261 132 132 PHE HB2 H 2.549 0.001 2 1262 132 132 PHE HB3 H 3.062 0.005 2 1263 132 132 PHE HE1 H 6.891 0.005 3 1264 132 132 PHE C C 175.805 0.005 1 1265 132 132 PHE CA C 56.763 0.005 1 1266 132 132 PHE CB C 42.389 0.005 1 1267 132 132 PHE CE1 C 131.653 0.005 3 1268 132 132 PHE N N 124.706 0.005 1 1269 133 133 ASN H H 8.787 0.005 1 1270 133 133 ASN HA H 5.340 0.007 1 1271 133 133 ASN HB2 H 2.721 0.005 2 1272 133 133 ASN C C 174.504 0.005 1 1273 133 133 ASN CA C 53.951 0.005 1 1274 133 133 ASN CB C 41.451 0.005 1 1275 133 133 ASN N N 121.623 0.005 1 1276 134 134 VAL H H 8.863 0.005 1 1277 134 134 VAL HA H 4.912 0.002 1 1278 134 134 VAL HB H 1.119 0.001 1 1279 134 134 VAL HG1 H 0.238 0.001 2 1280 134 134 VAL HG2 H 0.581 0.002 2 1281 134 134 VAL C C 173.597 0.005 1 1282 134 134 VAL CA C 60.513 0.005 1 1283 134 134 VAL CB C 34.889 0.005 1 1284 134 134 VAL CG1 C 20.828 0.005 2 1285 134 134 VAL CG2 C 22.703 0.005 2 1286 134 134 VAL N N 121.623 0.005 1 1287 135 135 GLU H H 8.964 0.005 1 1288 135 135 GLU HA H 5.315 0.002 1 1289 135 135 GLU HB2 H 1.808 0.002 2 1290 135 135 GLU HG2 H 1.739 0.005 2 1291 135 135 GLU HG3 H 1.959 0.005 2 1292 135 135 GLU C C 175.666 0.005 1 1293 135 135 GLU CA C 54.263 0.005 1 1294 135 135 GLU CB C 33.015 0.005 1 1295 135 135 GLU CG C 35.300 0.005 1 1296 135 135 GLU N N 124.706 0.005 1 1297 136 136 VAL H H 8.354 0.005 1 1298 136 136 VAL HA H 4.142 0.005 1 1299 136 136 VAL HB H 2.503 0.005 1 1300 136 136 VAL HG2 H 0.869 0.002 2 1301 136 136 VAL C C 176.177 0.005 1 1302 136 136 VAL CA C 63.013 0.005 1 1303 136 136 VAL CB C 30.515 0.005 1 1304 136 136 VAL CG2 C 20.828 0.005 2 1305 136 136 VAL N N 125.733 0.005 1 1306 137 137 VAL H H 8.943 0.005 1 1307 137 137 VAL HA H 4.079 0.001 1 1308 137 137 VAL HB H 1.812 0.001 1 1309 137 137 VAL HG1 H 0.937 0.001 2 1310 137 137 VAL C C 175.291 0.005 1 1311 137 137 VAL CA C 64.575 0.005 1 1312 137 137 VAL CB C 33.639 0.005 1 1313 137 137 VAL CG1 C 22.703 0.005 2 1314 137 137 VAL N N 130.357 0.005 1 1315 138 138 ALA H H 7.775 0.005 1 1316 138 138 ALA HA H 4.578 0.002 1 1317 138 138 ALA HB H 1.388 0.002 1 1318 138 138 ALA C C 174.475 0.005 1 1319 138 138 ALA CA C 52.388 0.005 1 1320 138 138 ALA CB C 22.078 0.005 1 1321 138 138 ALA N N 118.541 0.005 1 1322 139 139 ILE H H 8.132 0.005 1 1323 139 139 ILE HA H 4.704 0.005 1 1324 139 139 ILE HB H 1.260 0.005 1 1325 139 139 ILE HD1 H 0.594 0.003 1 1326 139 139 ILE HG12 H 0.822 0.001 2 1327 139 139 ILE HG2 H 0.711 0.001 1 1328 139 139 ILE C C 173.806 0.005 1 1329 139 139 ILE CA C 61.576 0.005 1 1330 139 139 ILE CB C 43.326 0.005 1 1331 139 139 ILE CD1 C 15.203 0.005 1 1332 139 139 ILE CG1 C 24.890 0.005 1 1333 139 139 ILE CG2 C 19.890 0.005 1 1334 139 139 ILE N N 118.798 0.005 1 1335 140 140 ARG H H 9.037 0.005 1 1336 140 140 ARG HA H 4.831 0.005 1 1337 140 140 ARG HB2 H 1.731 0.005 2 1338 140 140 ARG HB3 H 1.832 0.005 2 1339 140 140 ARG C C 174.225 0.005 1 1340 140 140 ARG CA C 54.207 0.005 1 1341 140 140 ARG CB C 32.804 0.005 1 1342 140 140 ARG N N 122.137 0.005 1 1343 141 141 GLU H H 8.623 0.005 1 1344 141 141 GLU HA H 4.343 0.001 1 1345 141 141 GLU HB2 H 2.055 0.002 2 1346 141 141 GLU HG2 H 2.242 0.021 2 1347 141 141 GLU C C 177.339 0.005 1 1348 141 141 GLU CA C 57.076 0.005 1 1349 141 141 GLU CB C 30.202 0.005 1 1350 141 141 GLU CG C 37.702 0.005 1 1351 141 141 GLU N N 119.055 0.005 1 1352 142 142 ALA H H 8.535 0.005 1 1353 142 142 ALA HA H 4.458 0.003 1 1354 142 142 ALA HB H 1.260 0.004 1 1355 142 142 ALA C C 178.498 0.005 1 1356 142 142 ALA CA C 51.138 0.005 1 1357 142 142 ALA CB C 21.140 0.005 1 1358 142 142 ALA N N 126.761 0.005 1 1359 143 143 THR H H 9.600 0.005 1 1360 143 143 THR HA H 4.444 0.002 1 1361 143 143 THR HB H 4.733 0.005 1 1362 143 143 THR HG2 H 1.262 0.005 1 1363 143 143 THR C C 175.317 0.005 1 1364 143 143 THR CA C 60.513 0.005 1 1365 143 143 THR CB C 70.705 0.005 1 1366 143 143 THR CG2 C 21.765 0.005 1 1367 143 143 THR N N 114.174 0.005 1 1368 144 144 GLU H H 8.888 0.005 1 1369 144 144 GLU HA H 3.890 0.005 1 1370 144 144 GLU HB2 H 2.021 0.002 2 1371 144 144 GLU HG2 H 2.253 0.002 2 1372 144 144 GLU HG3 H 2.352 0.001 2 1373 144 144 GLU C C 179.510 0.005 1 1374 144 144 GLU CA C 60.200 0.005 1 1375 144 144 GLU CB C 29.577 0.005 1 1376 144 144 GLU CG C 36.452 0.005 1 1377 144 144 GLU N N 120.082 0.005 1 1378 145 145 GLU H H 8.406 0.005 1 1379 145 145 GLU HA H 3.972 0.002 1 1380 145 145 GLU HB2 H 1.848 0.001 2 1381 145 145 GLU HB3 H 1.995 0.003 2 1382 145 145 GLU HG2 H 2.158 0.010 2 1383 145 145 GLU C C 178.610 0.005 1 1384 145 145 GLU CA C 59.888 0.005 1 1385 145 145 GLU CB C 29.577 0.005 1 1386 145 145 GLU CG C 36.764 0.005 1 1387 145 145 GLU N N 119.311 0.005 1 1388 146 146 GLU H H 7.603 0.005 1 1389 146 146 GLU HA H 3.934 0.003 1 1390 146 146 GLU HB2 H 1.813 0.005 2 1391 146 146 GLU HB3 H 1.960 0.005 2 1392 146 146 GLU HG2 H 2.375 0.004 2 1393 146 146 GLU C C 179.173 0.005 1 1394 146 146 GLU CA C 59.263 0.005 1 1395 146 146 GLU CB C 29.577 0.005 1 1396 146 146 GLU CG C 38.014 0.005 1 1397 146 146 GLU N N 120.596 0.005 1 1398 147 147 LEU H H 7.936 0.005 1 1399 147 147 LEU HA H 3.741 0.004 1 1400 147 147 LEU HB2 H 1.378 0.005 2 1401 147 147 LEU HB3 H 1.713 0.002 2 1402 147 147 LEU HD1 H 0.829 0.005 2 1403 147 147 LEU HD2 H 0.725 0.003 2 1404 147 147 LEU HG H 1.606 0.002 1 1405 147 147 LEU C C 179.408 0.005 1 1406 147 147 LEU CA C 57.388 0.005 1 1407 147 147 LEU CB C 41.139 0.005 1 1408 147 147 LEU CD1 C 25.515 0.005 2 1409 147 147 LEU CD2 C 22.703 0.005 2 1410 147 147 LEU CG C 26.452 0.005 1 1411 147 147 LEU N N 116.828 0.005 1 1412 148 148 ALA H H 7.902 0.005 1 1413 148 148 ALA HA H 4.030 0.005 1 1414 148 148 ALA HB H 1.300 0.002 1 1415 148 148 ALA C C 179.791 0.005 1 1416 148 148 ALA CA C 54.888 0.005 1 1417 148 148 ALA CB C 18.015 0.005 1 1418 148 148 ALA N N 121.109 0.005 1 1419 149 149 HIS H H 7.815 0.005 1 1420 149 149 HIS HA H 4.568 0.001 1 1421 149 149 HIS HB2 H 2.858 0.005 2 1422 149 149 HIS HB3 H 2.920 0.005 2 1423 149 149 HIS HD2 H 7.105 0.005 1 1424 149 149 HIS HE1 H 8.083 0.005 1 1425 149 149 HIS C C 176.135 0.005 1 1426 149 149 HIS CA C 55.826 0.005 1 1427 149 149 HIS CB C 30.515 0.005 1 1428 149 149 HIS CD2 C 119.502 0.005 1 1429 149 149 HIS CE1 C 137.133 0.005 1 1430 149 149 HIS N N 113.660 0.005 1 1431 150 150 GLY H H 8.176 0.005 1 1432 150 150 GLY HA2 H 3.313 0.005 2 1433 150 150 GLY HA3 H 3.997 0.005 2 1434 150 150 GLY C C 173.378 0.005 1 1435 150 150 GLY CA C 46.139 0.005 1 1436 150 150 GLY N N 109.037 0.005 1 1437 151 151 HIS H H 7.630 0.005 1 1438 151 151 HIS HA H 4.651 0.007 1 1439 151 151 HIS HB2 H 3.040 0.005 2 1440 151 151 HIS HB3 H 3.232 0.001 2 1441 151 151 HIS HD2 H 6.896 0.005 1 1442 151 151 HIS HE1 H 8.009 0.005 1 1443 151 151 HIS C C 173.225 0.005 1 1444 151 151 HIS CA C 54.576 0.005 1 1445 151 151 HIS CB C 31.765 0.005 1 1446 151 151 HIS CD2 C 121.832 0.005 1 1447 151 151 HIS CE1 C 137.466 0.005 1 1448 151 151 HIS N N 114.174 0.005 1 1449 152 152 VAL H H 8.054 0.005 1 1450 152 152 VAL HA H 4.032 0.005 1 1451 152 152 VAL HB H 1.948 0.002 1 1452 152 152 VAL HG1 H 0.758 0.005 2 1453 152 152 VAL C C 175.898 0.005 1 1454 152 152 VAL CA C 62.075 0.005 1 1455 152 152 VAL CB C 32.702 0.005 1 1456 152 152 VAL CG1 C 21.765 0.005 2 1457 152 152 VAL N N 118.284 0.005 1 1458 153 153 HIS H H 9.897 0.005 1 1459 153 153 HIS HA H 4.733 0.005 1 1460 153 153 HIS HB2 H 3.116 0.005 2 1461 153 153 HIS C C 175.713 0.005 1 1462 153 153 HIS CA C 59.587 0.005 1 1463 153 153 HIS CB C 30.515 0.005 1 1464 153 153 HIS N N 126.761 0.005 1 1465 154 154 GLY H H 8.516 0.005 1 1466 154 154 GLY HA2 H 3.885 0.002 2 1467 154 154 GLY C C 173.885 0.005 1 1468 154 154 GLY CA C 45.201 0.005 1 1469 154 154 GLY N N 111.605 0.005 1 1470 155 155 ALA H H 8.191 0.005 1 1471 155 155 ALA HA H 4.181 0.005 1 1472 155 155 ALA HB H 1.259 0.001 1 1473 155 155 ALA C C 177.711 0.005 1 1474 155 155 ALA CA C 52.701 0.005 1 1475 155 155 ALA CB C 19.265 0.005 1 1476 155 155 ALA N N 123.678 0.005 1 1477 156 156 HIS H H 8.323 0.005 1 1478 156 156 HIS HA H 4.540 0.005 1 1479 156 156 HIS HB2 H 3.089 0.005 2 1480 156 156 HIS HB3 H 2.980 0.005 2 1481 156 156 HIS HD2 H 6.977 0.005 1 1482 156 156 HIS HE1 H 8.052 0.005 1 1483 156 156 HIS C C 174.876 0.005 1 1484 156 156 HIS CA C 55.784 0.005 1 1485 156 156 HIS CB C 29.974 0.005 1 1486 156 156 HIS CD2 C 119.002 0.005 1 1487 156 156 HIS CE1 C 137.466 0.005 1 1488 156 156 HIS N N 117.513 0.005 1 1489 157 157 ASP N N 121.109 0.005 1 stop_ save_