data_16098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Apo-form YjaB from Escherichia coli ; _BMRB_accession_number 16098 _BMRB_flat_file_name bmr16098.str _Entry_type original _Submission_date 2008-12-30 _Accession_date 2008-12-30 _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 Lu Jie . . 2 Wang Xu . . 3 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 825 "13C chemical shifts" 622 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-05 update BMRB 'complete entry citation' 2009-04-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Apo-YjaB form Escherichia coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19343803 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Jie . . 2 Wang Xu . . 3 Xia Bin . . 4 Jin Changwen . . stop_ _Journal_abbreviation Proteins _Journal_volume 76 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 261 _Page_last 265 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Apo-form YjaB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Apo-form YjaB' $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 'Apo-form YjaB' _Molecular_mass 16464.789 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MVISIRRSRHEEGEELVAIW CRSVDATHDFLSAEYRTELE DLVRSFLPEAPLWVAVNERD QPVGFMLLSGQHMDALFIDP DVRGCGVGRVLVEHALSMAP ELTTNVNEQNEQAVGFYKKV GFKVTGRSEVDDLGKPYPLL NLAYVGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ILE 4 SER 5 ILE 6 ARG 7 ARG 8 SER 9 ARG 10 HIS 11 GLU 12 GLU 13 GLY 14 GLU 15 GLU 16 LEU 17 VAL 18 ALA 19 ILE 20 TRP 21 CYS 22 ARG 23 SER 24 VAL 25 ASP 26 ALA 27 THR 28 HIS 29 ASP 30 PHE 31 LEU 32 SER 33 ALA 34 GLU 35 TYR 36 ARG 37 THR 38 GLU 39 LEU 40 GLU 41 ASP 42 LEU 43 VAL 44 ARG 45 SER 46 PHE 47 LEU 48 PRO 49 GLU 50 ALA 51 PRO 52 LEU 53 TRP 54 VAL 55 ALA 56 VAL 57 ASN 58 GLU 59 ARG 60 ASP 61 GLN 62 PRO 63 VAL 64 GLY 65 PHE 66 MET 67 LEU 68 LEU 69 SER 70 GLY 71 GLN 72 HIS 73 MET 74 ASP 75 ALA 76 LEU 77 PHE 78 ILE 79 ASP 80 PRO 81 ASP 82 VAL 83 ARG 84 GLY 85 CYS 86 GLY 87 VAL 88 GLY 89 ARG 90 VAL 91 LEU 92 VAL 93 GLU 94 HIS 95 ALA 96 LEU 97 SER 98 MET 99 ALA 100 PRO 101 GLU 102 LEU 103 THR 104 THR 105 ASN 106 VAL 107 ASN 108 GLU 109 GLN 110 ASN 111 GLU 112 GLN 113 ALA 114 VAL 115 GLY 116 PHE 117 TYR 118 LYS 119 LYS 120 VAL 121 GLY 122 PHE 123 LYS 124 VAL 125 THR 126 GLY 127 ARG 128 SER 129 GLU 130 VAL 131 ASP 132 ASP 133 LEU 134 GLY 135 LYS 136 PRO 137 TYR 138 PRO 139 LEU 140 LEU 141 ASN 142 LEU 143 ALA 144 TYR 145 VAL 146 GLY 147 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 2KCW "Solution Structure Of Apo-Form Yjab From Escherichia Coli" 100.00 147 100.00 100.00 3.86e-103 DBJ BAE78014 "predicted acetyltransferase [Escherichia coli str. K12 substr. W3110]" 100.00 147 100.00 100.00 3.86e-103 DBJ BAI28268 "predicted acetyltransferase [Escherichia coli O26:H11 str. 11368]" 99.32 147 97.26 99.32 5.58e-100 DBJ BAI33451 "predicted acetyltransferase [Escherichia coli O103:H2 str. 12009]" 99.32 147 97.26 99.32 5.58e-100 DBJ BAI38569 "predicted acetyltransferase [Escherichia coli O111:H- str. 11128]" 99.32 147 97.26 99.32 5.58e-100 DBJ BAJ45724 "hypothetical protein ECDH1ME8569_3868 [Escherichia coli DH1]" 100.00 147 100.00 100.00 3.86e-103 EMBL CAA26570 "unnamed protein product [Escherichia coli]" 100.00 147 100.00 100.00 3.86e-103 EMBL CAQ34361 "predicted acetyltransferase [Escherichia coli BL21(DE3)]" 99.32 147 100.00 100.00 2.03e-102 EMBL CAR00982 "putative acetyltransferase [Escherichia coli IAI1]" 99.32 147 97.95 99.32 1.32e-100 EMBL CAV01265 "putative acetyltransferase [Escherichia coli 55989]" 99.32 147 97.26 99.32 5.58e-100 EMBL CBJ03773 "putative acetyltransferase [Escherichia coli ETEC H10407]" 100.00 147 100.00 100.00 3.86e-103 GB AAC43106 "ORF_f147 [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 3.86e-103 GB AAC76982 "GNAT-family putative N-acetyltransferase; acetyl coenzyme A-binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 3.86e-103 GB AAZ90685 "conserved hypothetical protein [Shigella sonnei Ss046]" 98.64 147 97.24 97.93 1.22e-97 GB ABB64225 "conserved hypothetical protein [Shigella dysenteriae Sd197]" 100.00 147 97.28 98.64 7.33e-100 GB ABV08412 "acetyltransferase, GNAT family [Escherichia coli HS]" 99.32 147 97.26 99.32 5.58e-100 REF NP_418436 "GNAT-family putative N-acetyltransferase; acetyl coenzyme A-binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 3.86e-103 REF WP_000236960 "MULTISPECIES: acetyltransferase [Enterobacteriaceae]" 99.32 147 97.26 99.32 5.58e-100 REF WP_000236962 "acetyltransferase [Escherichia coli]" 100.00 147 99.32 99.32 4.76e-102 REF WP_000236972 "acetyltransferase [Shigella boydii]" 98.64 147 97.24 98.62 2.17e-98 REF WP_000236973 "MULTISPECIES: acetyltransferase [Enterobacteriaceae]" 100.00 147 97.28 98.64 7.33e-100 SP P09163 "RecName: Full=Uncharacterized N-acetyltransferase YjaB" 100.00 147 100.00 100.00 3.86e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity 'E. coli' 562 Bacteria . Escherichia coli K12 yjaB 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 BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 30 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' $entity 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure refinement' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 130 . mM pH 7.5 . pH pressure 1 . 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_ _Software_label $NMRPipe $NMRView $xwinnmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '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 'Apo-form YjaB' _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 4.225 0.03 1 2 1 1 MET HB2 H 2.179 0.03 2 3 1 1 MET HB3 H 2.315 0.03 2 4 1 1 MET HE H 2.280 0.03 1 5 1 1 MET HG2 H 2.577 0.03 2 6 1 1 MET HG3 H 2.710 0.03 2 7 1 1 MET CA C 55.683 0.3 1 8 1 1 MET CB C 35.455 0.3 1 9 1 1 MET CE C 17.348 0.3 1 10 1 1 MET CG C 31.205 0.3 1 11 2 2 VAL HA H 4.232 0.03 1 12 2 2 VAL HB H 2.106 0.03 1 13 2 2 VAL HG1 H 1.123 0.03 2 14 2 2 VAL HG2 H 1.034 0.03 2 15 2 2 VAL C C 175.217 0.3 1 16 2 2 VAL CA C 63.185 0.3 1 17 2 2 VAL CB C 32.762 0.3 1 18 2 2 VAL CG1 C 21.378 0.3 1 19 2 2 VAL CG2 C 21.378 0.3 1 20 3 3 ILE H H 8.394 0.03 1 21 3 3 ILE HA H 5.140 0.03 1 22 3 3 ILE HB H 1.929 0.03 1 23 3 3 ILE HD1 H 0.859 0.03 1 24 3 3 ILE HG12 H 1.273 0.03 1 25 3 3 ILE HG13 H 1.532 0.03 1 26 3 3 ILE HG2 H 0.958 0.03 1 27 3 3 ILE C C 176.268 0.3 1 28 3 3 ILE CA C 58.702 0.3 1 29 3 3 ILE CB C 39.971 0.3 1 30 3 3 ILE CD1 C 12.982 0.3 1 31 3 3 ILE CG1 C 27.357 0.3 1 32 3 3 ILE CG2 C 19.252 0.3 1 33 3 3 ILE N N 127.166 0.3 1 34 4 4 SER H H 8.846 0.03 1 35 4 4 SER HA H 4.950 0.03 1 36 4 4 SER HB2 H 3.808 0.03 2 37 4 4 SER HB3 H 3.904 0.03 2 38 4 4 SER C C 171.848 0.3 1 39 4 4 SER CA C 56.951 0.3 1 40 4 4 SER CB C 65.081 0.3 1 41 4 4 SER N N 121.483 0.3 1 42 5 5 ILE H H 8.527 0.03 1 43 5 5 ILE HA H 5.480 0.03 1 44 5 5 ILE HB H 1.521 0.03 1 45 5 5 ILE HD1 H 0.646 0.03 1 46 5 5 ILE HG12 H 1.033 0.03 1 47 5 5 ILE HG13 H 1.279 0.03 1 48 5 5 ILE HG2 H 0.415 0.03 1 49 5 5 ILE C C 176.125 0.3 1 50 5 5 ILE CA C 58.933 0.3 1 51 5 5 ILE CB C 39.971 0.3 1 52 5 5 ILE CD1 C 13.143 0.3 1 53 5 5 ILE CG1 C 27.127 0.3 1 54 5 5 ILE CG2 C 17.659 0.3 1 55 5 5 ILE N N 121.449 0.3 1 56 6 6 ARG H H 9.250 0.03 1 57 6 6 ARG HA H 5.196 0.03 1 58 6 6 ARG HB2 H 1.903 0.03 2 59 6 6 ARG HB3 H 2.363 0.03 2 60 6 6 ARG HD2 H 3.215 0.03 2 61 6 6 ARG HD3 H 3.215 0.03 2 62 6 6 ARG HE H 9.131 0.03 1 63 6 6 ARG HG2 H 1.408 0.03 2 64 6 6 ARG HG3 H 1.530 0.03 2 65 6 6 ARG HH11 H 6.110 0.03 1 66 6 6 ARG C C 175.118 0.3 1 67 6 6 ARG CA C 54.835 0.3 1 68 6 6 ARG CB C 32.606 0.3 1 69 6 6 ARG CD C 42.965 0.3 1 70 6 6 ARG CG C 25.427 0.3 1 71 6 6 ARG N N 122.280 0.3 1 72 6 6 ARG NE N 117.001 0.3 1 73 7 7 ARG H H 8.769 0.03 1 74 7 7 ARG HA H 4.660 0.03 1 75 7 7 ARG HB2 H 1.758 0.03 2 76 7 7 ARG HB3 H 1.958 0.03 2 77 7 7 ARG HD2 H 2.352 0.03 2 78 7 7 ARG HD3 H 2.518 0.03 2 79 7 7 ARG HG2 H 1.018 0.03 2 80 7 7 ARG HG3 H 1.526 0.03 2 81 7 7 ARG C C 178.564 0.3 1 82 7 7 ARG CA C 55.347 0.3 1 83 7 7 ARG CB C 30.208 0.3 1 84 7 7 ARG CD C 41.830 0.3 1 85 7 7 ARG CG C 26.955 0.3 1 86 7 7 ARG N N 119.680 0.3 1 87 8 8 SER H H 8.112 0.03 1 88 8 8 SER HA H 4.287 0.03 1 89 8 8 SER HB2 H 3.722 0.03 2 90 8 8 SER HB3 H 4.028 0.03 2 91 8 8 SER C C 173.826 0.3 1 92 8 8 SER CA C 58.250 0.3 1 93 8 8 SER CB C 64.056 0.3 1 94 8 8 SER N N 116.617 0.3 1 95 9 9 ARG H H 9.438 0.03 1 96 9 9 ARG HA H 4.860 0.03 1 97 9 9 ARG HB2 H 1.701 0.03 2 98 9 9 ARG HB3 H 2.231 0.03 2 99 9 9 ARG HD2 H 3.297 0.03 2 100 9 9 ARG HD3 H 3.421 0.03 2 101 9 9 ARG HG2 H 1.713 0.03 2 102 9 9 ARG HG3 H 1.713 0.03 2 103 9 9 ARG C C 178.441 0.3 1 104 9 9 ARG CA C 54.663 0.3 1 105 9 9 ARG CB C 33.000 0.3 1 106 9 9 ARG CD C 43.689 0.3 1 107 9 9 ARG CG C 28.283 0.3 1 108 9 9 ARG N N 120.249 0.3 1 109 10 10 HIS HA H 4.444 0.03 1 110 10 10 HIS HB2 H 3.231 0.03 2 111 10 10 HIS HB3 H 3.378 0.03 2 112 10 10 HIS HD2 H 7.214 0.03 1 113 10 10 HIS C C 178.154 0.3 1 114 10 10 HIS CA C 59.892 0.3 1 115 10 10 HIS CB C 30.203 0.3 1 116 10 10 HIS CD2 C 119.662 0.3 1 117 11 11 GLU H H 9.713 0.03 1 118 11 11 GLU HA H 4.371 0.03 1 119 11 11 GLU HB2 H 2.254 0.03 2 120 11 11 GLU HB3 H 2.254 0.03 2 121 11 11 GLU HG2 H 2.460 0.03 2 122 11 11 GLU HG3 H 2.460 0.03 2 123 11 11 GLU C C 177.053 0.3 1 124 11 11 GLU CA C 58.830 0.3 1 125 11 11 GLU CB C 28.549 0.3 1 126 11 11 GLU CG C 36.518 0.3 1 127 11 11 GLU N N 116.340 0.3 1 128 12 12 GLU H H 7.667 0.03 1 129 12 12 GLU HA H 5.043 0.03 1 130 12 12 GLU HB2 H 2.016 0.03 2 131 12 12 GLU HB3 H 2.469 0.03 2 132 12 12 GLU HG2 H 2.334 0.03 2 133 12 12 GLU HG3 H 2.744 0.03 2 134 12 12 GLU C C 176.288 0.3 1 135 12 12 GLU CA C 55.518 0.3 1 136 12 12 GLU CB C 29.877 0.3 1 137 12 12 GLU CG C 35.721 0.3 1 138 12 12 GLU N N 118.510 0.3 1 139 13 13 GLY H H 7.813 0.03 1 140 13 13 GLY HA2 H 3.610 0.03 2 141 13 13 GLY HA3 H 4.017 0.03 2 142 13 13 GLY C C 175.043 0.3 1 143 13 13 GLY CA C 49.029 0.3 1 144 13 13 GLY N N 108.078 0.3 1 145 14 14 GLU H H 8.755 0.03 1 146 14 14 GLU HA H 4.104 0.03 1 147 14 14 GLU HB2 H 2.157 0.03 2 148 14 14 GLU HB3 H 2.157 0.03 2 149 14 14 GLU HG2 H 2.420 0.03 2 150 14 14 GLU HG3 H 2.488 0.03 2 151 14 14 GLU C C 179.632 0.3 1 152 14 14 GLU CA C 59.868 0.3 1 153 14 14 GLU CB C 29.050 0.3 1 154 14 14 GLU CG C 36.518 0.3 1 155 14 14 GLU N N 119.636 0.3 1 156 15 15 GLU H H 8.249 0.03 1 157 15 15 GLU HA H 4.305 0.03 1 158 15 15 GLU HB2 H 2.177 0.03 2 159 15 15 GLU HB3 H 2.406 0.03 2 160 15 15 GLU HG2 H 2.471 0.03 2 161 15 15 GLU HG3 H 2.573 0.03 2 162 15 15 GLU C C 179.712 0.3 1 163 15 15 GLU CA C 59.574 0.3 1 164 15 15 GLU CB C 29.384 0.3 1 165 15 15 GLU CG C 37.049 0.3 1 166 15 15 GLU N N 121.304 0.3 1 167 16 16 LEU H H 8.015 0.03 1 168 16 16 LEU HA H 4.194 0.03 1 169 16 16 LEU HB2 H 0.845 0.03 2 170 16 16 LEU HB3 H 1.878 0.03 2 171 16 16 LEU HD1 H 0.804 0.03 2 172 16 16 LEU HD2 H 0.789 0.03 2 173 16 16 LEU HG H 1.955 0.03 1 174 16 16 LEU C C 178.611 0.3 1 175 16 16 LEU CA C 57.941 0.3 1 176 16 16 LEU CB C 40.150 0.3 1 177 16 16 LEU CD1 C 23.237 0.3 1 178 16 16 LEU CD2 C 26.393 0.3 1 179 16 16 LEU CG C 26.496 0.3 1 180 16 16 LEU N N 119.906 0.3 1 181 17 17 VAL H H 8.328 0.03 1 182 17 17 VAL HA H 3.535 0.03 1 183 17 17 VAL HB H 2.314 0.03 1 184 17 17 VAL HG1 H 1.049 0.03 2 185 17 17 VAL HG2 H 1.025 0.03 2 186 17 17 VAL C C 178.489 0.3 1 187 17 17 VAL CA C 66.788 0.3 1 188 17 17 VAL CB C 31.953 0.3 1 189 17 17 VAL CG1 C 23.686 0.3 1 190 17 17 VAL CG2 C 21.794 0.3 1 191 17 17 VAL N N 120.165 0.3 1 192 18 18 ALA H H 8.163 0.03 1 193 18 18 ALA HA H 4.319 0.03 1 194 18 18 ALA HB H 1.703 0.03 1 195 18 18 ALA C C 180.259 0.3 1 196 18 18 ALA CA C 56.074 0.3 1 197 18 18 ALA CB C 18.025 0.3 1 198 18 18 ALA N N 122.241 0.3 1 199 19 19 ILE H H 7.745 0.03 1 200 19 19 ILE HA H 3.716 0.03 1 201 19 19 ILE HB H 2.372 0.03 1 202 19 19 ILE HD1 H 0.917 0.03 1 203 19 19 ILE HG12 H 2.245 0.03 1 204 19 19 ILE HG13 H 1.134 0.03 1 205 19 19 ILE HG2 H 0.859 0.03 1 206 19 19 ILE C C 177.271 0.3 1 207 19 19 ILE CA C 66.447 0.3 1 208 19 19 ILE CB C 38.271 0.3 1 209 19 19 ILE CD1 C 14.205 0.3 1 210 19 19 ILE CG1 C 29.959 0.3 1 211 19 19 ILE CG2 C 16.863 0.3 1 212 19 19 ILE N N 118.057 0.3 1 213 20 20 TRP H H 8.257 0.03 1 214 20 20 TRP HA H 3.527 0.03 1 215 20 20 TRP HB2 H 3.001 0.03 2 216 20 20 TRP HB3 H 3.895 0.03 2 217 20 20 TRP HD1 H 7.488 0.03 1 218 20 20 TRP HE3 H 7.189 0.03 1 219 20 20 TRP HH2 H 6.926 0.03 1 220 20 20 TRP HZ2 H 7.120 0.03 1 221 20 20 TRP HZ3 H 7.906 0.03 1 222 20 20 TRP C C 176.506 0.3 1 223 20 20 TRP CA C 63.877 0.3 1 224 20 20 TRP CB C 28.502 0.3 1 225 20 20 TRP CH2 C 122.495 0.3 1 226 20 20 TRP CZ2 C 114.334 0.3 1 227 20 20 TRP N N 121.088 0.3 1 228 21 21 CYS H H 9.090 0.03 1 229 21 21 CYS HA H 3.568 0.03 1 230 21 21 CYS HB2 H 2.929 0.03 2 231 21 21 CYS HB3 H 3.286 0.03 2 232 21 21 CYS C C 176.506 0.3 1 233 21 21 CYS CA C 63.611 0.3 1 234 21 21 CYS CB C 27.487 0.3 1 235 21 21 CYS N N 115.906 0.3 1 236 22 22 ARG H H 8.333 0.03 1 237 22 22 ARG HA H 4.102 0.03 1 238 22 22 ARG HB2 H 1.751 0.03 2 239 22 22 ARG HB3 H 1.902 0.03 2 240 22 22 ARG HD2 H 3.359 0.03 2 241 22 22 ARG HE H 8.590 0.03 1 242 22 22 ARG HG2 H 1.791 0.03 2 243 22 22 ARG HG3 H 2.028 0.03 2 244 22 22 ARG C C 179.927 0.3 1 245 22 22 ARG CA C 59.728 0.3 1 246 22 22 ARG CB C 31.166 0.3 1 247 22 22 ARG CD C 43.615 0.3 1 248 22 22 ARG CG C 29.300 0.3 1 249 22 22 ARG N N 116.520 0.3 1 250 22 22 ARG NE N 113.218 0.3 1 251 23 23 SER H H 8.710 0.03 1 252 23 23 SER HA H 4.286 0.03 1 253 23 23 SER HB2 H 4.075 0.03 2 254 23 23 SER HB3 H 4.216 0.03 2 255 23 23 SER C C 179.927 0.3 1 256 23 23 SER CA C 62.343 0.3 1 257 23 23 SER CB C 64.142 0.3 1 258 23 23 SER N N 114.634 0.3 1 259 24 24 VAL H H 8.033 0.03 1 260 24 24 VAL HA H 3.565 0.03 1 261 24 24 VAL HB H 1.105 0.03 1 262 24 24 VAL HG1 H 0.025 0.03 2 263 24 24 VAL HG2 H -0.383 0.03 2 264 24 24 VAL CA C 65.866 0.3 1 265 24 24 VAL CB C 30.818 0.3 1 266 24 24 VAL CG1 C 20.540 0.3 1 267 24 24 VAL CG2 C 21.090 0.3 1 268 25 25 ASP H H 8.145 0.03 1 269 25 25 ASP HA H 4.485 0.03 1 270 25 25 ASP HB2 H 2.703 0.03 2 271 25 25 ASP HB3 H 2.747 0.03 2 272 25 25 ASP CA C 57.054 0.3 1 273 25 25 ASP CB C 39.785 0.3 1 274 26 26 ALA H H 7.583 0.03 1 275 26 26 ALA HA H 4.583 0.03 1 276 26 26 ALA HB H 1.765 0.03 1 277 26 26 ALA CA C 54.225 0.3 1 278 26 26 ALA CB C 20.001 0.3 1 279 26 26 ALA N N 119.259 0.3 1 280 27 27 THR H H 8.250 0.03 1 281 27 27 THR HA H 4.925 0.03 1 282 27 27 THR HB H 4.753 0.03 1 283 27 27 THR HG2 H 1.378 0.03 1 284 27 27 THR CA C 62.543 0.3 1 285 27 27 THR CB C 72.275 0.3 1 286 27 27 THR CG2 C 21.725 0.3 1 287 28 28 HIS H H 8.945 0.03 1 288 28 28 HIS HA H 4.826 0.03 1 289 28 28 HIS HB2 H 3.133 0.03 2 290 28 28 HIS HB3 H 2.664 0.03 2 291 28 28 HIS HE1 H 7.853 0.03 1 292 28 28 HIS C C 176.670 0.3 1 293 28 28 HIS CA C 54.198 0.3 1 294 28 28 HIS CB C 27.400 0.3 1 295 28 28 HIS CE1 C 138.775 0.3 1 296 28 28 HIS N N 124.140 0.3 1 297 29 29 ASP H H 8.405 0.03 1 298 29 29 ASP HA H 4.420 0.03 1 299 29 29 ASP HB2 H 2.815 0.03 2 300 29 29 ASP HB3 H 3.022 0.03 2 301 29 29 ASP C C 175.187 0.3 1 302 29 29 ASP CA C 55.908 0.3 1 303 29 29 ASP CB C 39.705 0.3 1 304 29 29 ASP N N 119.745 0.3 1 305 30 30 PHE H H 6.746 0.03 1 306 30 30 PHE HA H 4.782 0.03 1 307 30 30 PHE HB2 H 3.260 0.03 2 308 30 30 PHE HB3 H 3.640 0.03 2 309 30 30 PHE HD1 H 7.365 0.03 3 310 30 30 PHE HE1 H 7.249 0.03 3 311 30 30 PHE C C 176.048 0.3 1 312 30 30 PHE CA C 55.377 0.3 1 313 30 30 PHE CB C 38.954 0.3 1 314 30 30 PHE CD1 C 133.050 0.3 3 315 30 30 PHE CE1 C 133.369 0.3 3 316 30 30 PHE N N 112.900 0.3 1 317 31 31 LEU H H 6.870 0.03 1 318 31 31 LEU HA H 4.260 0.03 1 319 31 31 LEU HB2 H 1.387 0.03 2 320 31 31 LEU HB3 H 1.741 0.03 2 321 31 31 LEU HD1 H 0.499 0.03 2 322 31 31 LEU HD2 H 0.710 0.03 2 323 31 31 LEU HG H 1.230 0.03 1 324 31 31 LEU C C 177.819 0.3 1 325 31 31 LEU CA C 55.347 0.3 1 326 31 31 LEU CB C 43.424 0.3 1 327 31 31 LEU CD1 C 22.174 0.3 1 328 31 31 LEU CD2 C 25.893 0.3 1 329 31 31 LEU CG C 25.820 0.3 1 330 31 31 LEU N N 122.045 0.3 1 331 32 32 SER H H 7.950 0.03 1 332 32 32 SER HA H 4.687 0.03 1 333 32 32 SER HB2 H 4.386 0.03 2 334 32 32 SER HB3 H 4.639 0.03 2 335 32 32 SER C C 174.620 0.3 1 336 32 32 SER CA C 57.909 0.3 1 337 32 32 SER CB C 64.408 0.3 1 338 32 32 SER N N 117.995 0.3 1 339 33 33 ALA H H 9.140 0.03 1 340 33 33 ALA HA H 4.240 0.03 1 341 33 33 ALA HB H 1.637 0.03 1 342 33 33 ALA C C 180.920 0.3 1 343 33 33 ALA CA C 55.642 0.3 1 344 33 33 ALA CB C 18.463 0.3 1 345 33 33 ALA N N 126.117 0.3 1 346 34 34 GLU H H 9.192 0.03 1 347 34 34 GLU HA H 4.286 0.03 1 348 34 34 GLU HB2 H 2.221 0.03 2 349 34 34 GLU HB3 H 2.287 0.03 2 350 34 34 GLU HG2 H 2.533 0.03 2 351 34 34 GLU HG3 H 2.609 0.03 2 352 34 34 GLU C C 179.003 0.3 1 353 34 34 GLU CA C 59.928 0.3 1 354 34 34 GLU CB C 29.221 0.3 1 355 34 34 GLU CG C 37.049 0.3 1 356 34 34 GLU N N 117.202 0.3 1 357 35 35 TYR H H 8.100 0.03 1 358 35 35 TYR HA H 5.250 0.03 1 359 35 35 TYR HB2 H 3.219 0.03 2 360 35 35 TYR HB3 H 3.523 0.03 2 361 35 35 TYR HD1 H 7.355 0.03 3 362 35 35 TYR HE1 H 6.951 0.03 3 363 35 35 TYR C C 177.401 0.3 1 364 35 35 TYR CA C 57.236 0.3 1 365 35 35 TYR CB C 38.954 0.3 1 366 35 35 TYR CD1 C 132.726 0.3 3 367 35 35 TYR CE1 C 119.666 0.3 3 368 35 35 TYR N N 123.071 0.3 1 369 36 36 ARG H H 8.696 0.03 1 370 36 36 ARG HA H 4.014 0.03 1 371 36 36 ARG HB2 H 2.295 0.03 2 372 36 36 ARG HB3 H 1.938 0.03 2 373 36 36 ARG HD2 H 3.034 0.03 2 374 36 36 ARG HD3 H 3.418 0.03 2 375 36 36 ARG HE H 8.120 0.03 1 376 36 36 ARG HG2 H 1.820 0.03 2 377 36 36 ARG HG3 H 1.820 0.03 2 378 36 36 ARG C C 179.301 0.3 1 379 36 36 ARG CA C 59.445 0.3 1 380 36 36 ARG CB C 29.221 0.3 1 381 36 36 ARG CD C 41.830 0.3 1 382 36 36 ARG CG C 27.487 0.3 1 383 36 36 ARG N N 119.753 0.3 1 384 36 36 ARG NE N 115.562 0.3 1 385 37 37 THR H H 8.087 0.03 1 386 37 37 THR HA H 4.261 0.03 1 387 37 37 THR HB H 4.448 0.03 1 388 37 37 THR HG2 H 1.440 0.03 1 389 37 37 THR C C 175.740 0.3 1 390 37 37 THR CA C 66.964 0.3 1 391 37 37 THR CB C 69.098 0.3 1 392 37 37 THR CG2 C 21.944 0.3 1 393 37 37 THR N N 116.751 0.3 1 394 38 38 GLU H H 8.007 0.03 1 395 38 38 GLU HA H 4.272 0.03 1 396 38 38 GLU HB2 H 2.447 0.03 2 397 38 38 GLU HB3 H 2.560 0.03 2 398 38 38 GLU HG2 H 2.420 0.03 2 399 38 38 GLU HG3 H 2.685 0.03 2 400 38 38 GLU C C 180.218 0.3 1 401 38 38 GLU CA C 59.787 0.3 1 402 38 38 GLU CB C 30.408 0.3 1 403 38 38 GLU CD C 179.780 0.3 1 404 38 38 GLU CG C 36.133 0.3 1 405 38 38 GLU N N 124.349 0.3 1 406 39 39 LEU H H 9.208 0.03 1 407 39 39 LEU HA H 4.050 0.03 1 408 39 39 LEU HB2 H 1.587 0.03 2 409 39 39 LEU HB3 H 1.998 0.03 2 410 39 39 LEU HD1 H 0.920 0.03 2 411 39 39 LEU HD2 H 0.519 0.03 2 412 39 39 LEU HG H 1.429 0.03 1 413 39 39 LEU C C 178.010 0.3 1 414 39 39 LEU CA C 57.738 0.3 1 415 39 39 LEU CB C 42.893 0.3 1 416 39 39 LEU CD1 C 23.237 0.3 1 417 39 39 LEU CD2 C 25.627 0.3 1 418 39 39 LEU CG C 26.955 0.3 1 419 39 39 LEU N N 119.594 0.3 1 420 40 40 GLU H H 7.830 0.03 1 421 40 40 GLU HA H 3.475 0.03 1 422 40 40 GLU HB2 H 2.352 0.03 2 423 40 40 GLU HB3 H 2.352 0.03 2 424 40 40 GLU HG2 H 2.335 0.03 2 425 40 40 GLU HG3 H 2.302 0.03 2 426 40 40 GLU C C 177.740 0.3 1 427 40 40 GLU CA C 59.557 0.3 1 428 40 40 GLU CB C 29.164 0.3 1 429 40 40 GLU CG C 36.518 0.3 1 430 40 40 GLU N N 119.976 0.3 1 431 41 41 ASP H H 7.680 0.03 1 432 41 41 ASP HA H 4.438 0.03 1 433 41 41 ASP HB2 H 2.778 0.03 2 434 41 41 ASP HB3 H 2.906 0.03 2 435 41 41 ASP C C 179.266 0.3 1 436 41 41 ASP CA C 57.738 0.3 1 437 41 41 ASP CB C 40.833 0.3 1 438 41 41 ASP N N 118.527 0.3 1 439 42 42 LEU H H 7.689 0.03 1 440 42 42 LEU HA H 4.200 0.03 1 441 42 42 LEU HB2 H 1.815 0.03 2 442 42 42 LEU HB3 H 2.001 0.03 2 443 42 42 LEU HD1 H 1.078 0.03 2 444 42 42 LEU HD2 H 1.024 0.03 2 445 42 42 LEU HG H 1.844 0.03 1 446 42 42 LEU C C 180.141 0.3 1 447 42 42 LEU CA C 58.250 0.3 1 448 42 42 LEU CB C 42.159 0.3 1 449 42 42 LEU CD1 C 25.350 0.3 1 450 42 42 LEU CD2 C 24.027 0.3 1 451 42 42 LEU CG C 27.227 0.3 1 452 42 42 LEU N N 121.063 0.3 1 453 43 43 VAL H H 8.716 0.03 1 454 43 43 VAL HA H 3.435 0.03 1 455 43 43 VAL HB H 1.337 0.03 1 456 43 43 VAL HG1 H -0.001 0.03 2 457 43 43 VAL HG2 H 0.221 0.03 2 458 43 43 VAL C C 178.501 0.3 1 459 43 43 VAL CA C 67.130 0.3 1 460 43 43 VAL CB C 31.371 0.3 1 461 43 43 VAL CG1 C 21.713 0.3 1 462 43 43 VAL CG2 C 20.846 0.3 1 463 43 43 VAL N N 121.194 0.3 1 464 44 44 ARG H H 8.565 0.03 1 465 44 44 ARG HA H 3.817 0.03 1 466 44 44 ARG HB2 H 1.862 0.03 2 467 44 44 ARG HB3 H 1.900 0.03 2 468 44 44 ARG HD2 H 3.343 0.03 2 469 44 44 ARG HD3 H 3.343 0.03 2 470 44 44 ARG HE H 8.257 0.03 1 471 44 44 ARG HG2 H 1.728 0.03 2 472 44 44 ARG HG3 H 1.728 0.03 2 473 44 44 ARG C C 177.741 0.3 1 474 44 44 ARG CA C 60.129 0.3 1 475 44 44 ARG CB C 29.918 0.3 1 476 44 44 ARG CD C 42.992 0.3 1 477 44 44 ARG CG C 30.315 0.3 1 478 44 44 ARG N N 119.263 0.3 1 479 44 44 ARG NE N 114.992 0.3 1 480 45 45 SER H H 7.374 0.03 1 481 45 45 SER HA H 4.469 0.03 1 482 45 45 SER HB2 H 3.986 0.03 2 483 45 45 SER HB3 H 4.067 0.03 2 484 45 45 SER CA C 60.424 0.3 1 485 45 45 SER CB C 64.142 0.3 1 486 45 45 SER N N 110.872 0.3 1 487 46 46 PHE H H 7.952 0.03 1 488 46 46 PHE HA H 4.793 0.03 1 489 46 46 PHE HB2 H 2.945 0.03 2 490 46 46 PHE HB3 H 3.337 0.03 2 491 46 46 PHE HD1 H 7.246 0.03 3 492 46 46 PHE HE1 H 7.344 0.03 3 493 46 46 PHE C C 176.257 0.3 1 494 46 46 PHE CA C 59.275 0.3 1 495 46 46 PHE CB C 42.359 0.3 1 496 46 46 PHE CD1 C 132.208 0.3 3 497 46 46 PHE N N 120.778 0.3 1 498 47 47 LEU H H 8.726 0.03 1 499 47 47 LEU HA H 3.820 0.03 1 500 47 47 LEU HB2 H 1.288 0.03 2 501 47 47 LEU HB3 H 1.560 0.03 2 502 47 47 LEU HD1 H 0.538 0.03 2 503 47 47 LEU HD2 H 0.585 0.03 2 504 47 47 LEU HG H 1.633 0.03 1 505 47 47 LEU C C 174.118 0.3 1 506 47 47 LEU CA C 59.361 0.3 1 507 47 47 LEU CB C 40.236 0.3 1 508 47 47 LEU CD1 C 24.428 0.3 1 509 47 47 LEU CD2 C 25.757 0.3 1 510 47 47 LEU CG C 26.654 0.3 1 511 47 47 LEU N N 121.038 0.3 1 512 48 48 PRO HA H 4.158 0.03 1 513 48 48 PRO HB2 H 1.875 0.03 2 514 48 48 PRO HB3 H 2.415 0.03 2 515 48 48 PRO HD2 H 3.241 0.03 2 516 48 48 PRO HD3 H 3.569 0.03 2 517 48 48 PRO HG2 H 1.652 0.03 2 518 48 48 PRO HG3 H 2.243 0.03 2 519 48 48 PRO C C 176.826 0.3 1 520 48 48 PRO CA C 66.267 0.3 1 521 48 48 PRO CB C 31.782 0.3 1 522 48 48 PRO CD C 51.127 0.3 1 523 48 48 PRO CG C 28.815 0.3 1 524 49 49 GLU H H 7.118 0.03 1 525 49 49 GLU HA H 4.530 0.03 1 526 49 49 GLU HB2 H 1.896 0.03 2 527 49 49 GLU HB3 H 2.327 0.03 2 528 49 49 GLU HG2 H 2.207 0.03 2 529 49 49 GLU HG3 H 2.323 0.03 2 530 49 49 GLU C C 175.939 0.3 1 531 49 49 GLU CA C 55.006 0.3 1 532 49 49 GLU CB C 30.587 0.3 1 533 49 49 GLU CG C 36.518 0.3 1 534 49 49 GLU N N 110.936 0.3 1 535 50 50 ALA H H 7.582 0.03 1 536 50 50 ALA HA H 4.476 0.03 1 537 50 50 ALA HB H 1.131 0.03 1 538 50 50 ALA C C 176.588 0.3 1 539 50 50 ALA CA C 50.486 0.3 1 540 50 50 ALA CB C 18.634 0.3 1 541 50 50 ALA N N 125.318 0.3 1 542 51 51 PRO HA H 4.829 0.03 1 543 51 51 PRO HB2 H 1.957 0.03 2 544 51 51 PRO HB3 H 2.290 0.03 2 545 51 51 PRO HD2 H 3.649 0.03 2 546 51 51 PRO HD3 H 3.834 0.03 2 547 51 51 PRO HG2 H 2.284 0.03 2 548 51 51 PRO HG3 H 2.284 0.03 2 549 51 51 PRO CA C 62.007 0.3 1 550 51 51 PRO CB C 28.335 0.3 1 551 51 51 PRO CD C 50.064 0.3 1 552 51 51 PRO CG C 28.050 0.3 1 553 52 52 LEU H H 7.849 0.03 1 554 52 52 LEU HA H 4.725 0.03 1 555 52 52 LEU HB2 H 1.554 0.03 2 556 52 52 LEU HB3 H 1.844 0.03 2 557 52 52 LEU HD1 H 0.909 0.03 2 558 52 52 LEU HD2 H 0.645 0.03 2 559 52 52 LEU HG H 1.670 0.03 1 560 52 52 LEU C C 177.936 0.3 1 561 52 52 LEU CA C 55.111 0.3 1 562 52 52 LEU CB C 44.221 0.3 1 563 52 52 LEU CD1 C 25.096 0.3 1 564 52 52 LEU CD2 C 26.670 0.3 1 565 52 52 LEU CG C 26.524 0.3 1 566 52 52 LEU N N 122.957 0.3 1 567 53 53 TRP H H 9.041 0.03 1 568 53 53 TRP HA H 5.122 0.03 1 569 53 53 TRP HB2 H 3.098 0.03 2 570 53 53 TRP HB3 H 3.310 0.03 2 571 53 53 TRP HD1 H 7.555 0.03 1 572 53 53 TRP HE1 H 10.758 0.03 1 573 53 53 TRP HE3 H 7.424 0.03 1 574 53 53 TRP HH2 H 7.558 0.03 1 575 53 53 TRP HZ2 H 7.779 0.03 1 576 53 53 TRP HZ3 H 7.342 0.03 1 577 53 53 TRP C C 175.422 0.3 1 578 53 53 TRP CA C 56.543 0.3 1 579 53 53 TRP CB C 31.667 0.3 1 580 53 53 TRP CD1 C 128.197 0.3 1 581 53 53 TRP CH2 C 125.183 0.3 1 582 53 53 TRP CZ2 C 115.439 0.3 1 583 53 53 TRP CZ3 C 122.464 0.3 1 584 53 53 TRP N N 121.171 0.3 1 585 53 53 TRP NE1 N 130.269 0.3 1 586 54 54 VAL H H 9.930 0.03 1 587 54 54 VAL HA H 5.244 0.03 1 588 54 54 VAL HB H 2.180 0.03 1 589 54 54 VAL HG1 H 0.943 0.03 2 590 54 54 VAL HG2 H 1.154 0.03 2 591 54 54 VAL C C 174.735 0.3 1 592 54 54 VAL CA C 59.958 0.3 1 593 54 54 VAL CB C 34.814 0.3 1 594 54 54 VAL CG1 C 21.858 0.3 1 595 54 54 VAL CG2 C 23.502 0.3 1 596 54 54 VAL N N 118.793 0.3 1 597 55 55 ALA H H 8.257 0.03 1 598 55 55 ALA HA H 5.428 0.03 1 599 55 55 ALA HB H 1.137 0.03 1 600 55 55 ALA C C 176.742 0.3 1 601 55 55 ALA CA C 49.799 0.3 1 602 55 55 ALA CB C 20.640 0.3 1 603 55 55 ALA N N 125.519 0.3 1 604 56 56 VAL H H 9.573 0.03 1 605 56 56 VAL HA H 5.530 0.03 1 606 56 56 VAL HB H 1.975 0.03 1 607 56 56 VAL HG1 H 1.049 0.03 2 608 56 56 VAL HG2 H 0.727 0.03 2 609 56 56 VAL C C 175.202 0.3 1 610 56 56 VAL CA C 58.033 0.3 1 611 56 56 VAL CB C 35.710 0.3 1 612 56 56 VAL CG1 C 18.813 0.3 1 613 56 56 VAL CG2 C 21.643 0.3 1 614 56 56 VAL N N 116.942 0.3 1 615 57 57 ASN H H 7.903 0.03 1 616 57 57 ASN HA H 5.315 0.03 1 617 57 57 ASN HB2 H 2.898 0.03 2 618 57 57 ASN HB3 H 3.790 0.03 2 619 57 57 ASN HD21 H 8.018 0.03 2 620 57 57 ASN HD22 H 7.569 0.03 2 621 57 57 ASN C C 178.186 0.3 1 622 57 57 ASN CA C 50.907 0.3 1 623 57 57 ASN CB C 39.296 0.3 1 624 57 57 ASN N N 117.004 0.3 1 625 57 57 ASN ND2 N 113.227 0.3 1 626 58 58 GLU H H 9.906 0.03 1 627 58 58 GLU HA H 4.344 0.03 1 628 58 58 GLU HB2 H 2.299 0.03 2 629 58 58 GLU HB3 H 2.299 0.03 2 630 58 58 GLU HG2 H 2.436 0.03 2 631 58 58 GLU HG3 H 2.595 0.03 2 632 58 58 GLU C C 177.181 0.3 1 633 58 58 GLU CA C 59.095 0.3 1 634 58 58 GLU CB C 28.879 0.3 1 635 58 58 GLU CG C 36.518 0.3 1 636 58 58 GLU N N 118.207 0.3 1 637 59 59 ARG H H 7.848 0.03 1 638 59 59 ARG HA H 4.619 0.03 1 639 59 59 ARG HB2 H 1.792 0.03 2 640 59 59 ARG HB3 H 2.238 0.03 2 641 59 59 ARG HD2 H 3.313 0.03 2 642 59 59 ARG HD3 H 3.351 0.03 2 643 59 59 ARG HG2 H 1.722 0.03 2 644 59 59 ARG HG3 H 1.722 0.03 2 645 59 59 ARG C C 175.368 0.3 1 646 59 59 ARG CA C 55.392 0.3 1 647 59 59 ARG CB C 29.877 0.3 1 648 59 59 ARG CD C 43.566 0.3 1 649 59 59 ARG CG C 27.828 0.3 1 650 59 59 ARG N N 119.660 0.3 1 651 60 60 ASP H H 8.640 0.03 1 652 60 60 ASP HA H 4.505 0.03 1 653 60 60 ASP HB2 H 2.491 0.03 2 654 60 60 ASP HB3 H 3.361 0.03 2 655 60 60 ASP C C 175.368 0.3 1 656 60 60 ASP CA C 55.860 0.3 1 657 60 60 ASP CB C 41.516 0.3 1 658 60 60 ASP N N 118.480 0.3 1 659 61 61 GLN H H 7.753 0.03 1 660 61 61 GLN HA H 4.862 0.03 1 661 61 61 GLN HB2 H 2.107 0.03 2 662 61 61 GLN HB3 H 2.107 0.03 2 663 61 61 GLN HE21 H 7.778 0.03 2 664 61 61 GLN HE22 H 6.970 0.03 2 665 61 61 GLN HG2 H 2.445 0.03 2 666 61 61 GLN HG3 H 2.445 0.03 2 667 61 61 GLN C C 174.641 0.3 1 668 61 61 GLN CA C 52.274 0.3 1 669 61 61 GLN CB C 29.221 0.3 1 670 61 61 GLN CG C 33.391 0.3 1 671 61 61 GLN N N 118.435 0.3 1 672 61 61 GLN NE2 N 112.624 0.3 1 673 62 62 PRO HA H 4.940 0.03 1 674 62 62 PRO HB2 H 1.915 0.03 2 675 62 62 PRO HB3 H 2.095 0.03 2 676 62 62 PRO HD2 H 3.947 0.03 2 677 62 62 PRO HD3 H 4.155 0.03 2 678 62 62 PRO HG2 H 1.964 0.03 2 679 62 62 PRO HG3 H 2.103 0.03 2 680 62 62 PRO C C 177.029 0.3 1 681 62 62 PRO CA C 63.178 0.3 1 682 62 62 PRO CB C 32.769 0.3 1 683 62 62 PRO CD C 51.392 0.3 1 684 62 62 PRO CG C 27.987 0.3 1 685 63 63 VAL H H 9.632 0.03 1 686 63 63 VAL HA H 4.781 0.03 1 687 63 63 VAL HB H 2.695 0.03 1 688 63 63 VAL HG1 H 0.806 0.03 2 689 63 63 VAL HG2 H 1.138 0.03 2 690 63 63 VAL C C 174.835 0.3 1 691 63 63 VAL CA C 61.082 0.3 1 692 63 63 VAL CB C 33.412 0.3 1 693 63 63 VAL CG1 C 19.384 0.3 1 694 63 63 VAL CG2 C 21.643 0.3 1 695 63 63 VAL N N 113.955 0.3 1 696 64 64 GLY H H 8.068 0.03 1 697 64 64 GLY HA2 H 4.019 0.03 2 698 64 64 GLY HA3 H 4.695 0.03 2 699 64 64 GLY C C 170.950 0.3 1 700 64 64 GLY CA C 46.638 0.3 1 701 64 64 GLY N N 107.074 0.3 1 702 65 65 PHE H H 9.546 0.03 1 703 65 65 PHE HA H 6.130 0.03 1 704 65 65 PHE HB2 H 3.320 0.03 2 705 65 65 PHE HB3 H 3.475 0.03 2 706 65 65 PHE HD1 H 7.137 0.03 3 707 65 65 PHE HE1 H 7.145 0.03 3 708 65 65 PHE C C 171.798 0.3 1 709 65 65 PHE CA C 57.066 0.3 1 710 65 65 PHE CB C 43.022 0.3 1 711 65 65 PHE CD1 C 132.538 0.3 3 712 65 65 PHE N N 116.416 0.3 1 713 66 66 MET H H 9.860 0.03 1 714 66 66 MET HA H 5.555 0.03 1 715 66 66 MET HB2 H 2.350 0.03 2 716 66 66 MET HB3 H 2.400 0.03 2 717 66 66 MET HE H 2.084 0.03 1 718 66 66 MET HG2 H 2.758 0.03 2 719 66 66 MET HG3 H 2.890 0.03 2 720 66 66 MET C C 173.076 0.3 1 721 66 66 MET CA C 54.493 0.3 1 722 66 66 MET CB C 38.200 0.3 1 723 66 66 MET CE C 17.887 0.3 1 724 66 66 MET CG C 32.201 0.3 1 725 66 66 MET N N 119.322 0.3 1 726 67 67 LEU H H 8.890 0.03 1 727 67 67 LEU HA H 5.271 0.03 1 728 67 67 LEU HB2 H 1.610 0.03 2 729 67 67 LEU HB3 H 2.187 0.03 2 730 67 67 LEU HD1 H 1.239 0.03 2 731 67 67 LEU HD2 H 1.247 0.03 2 732 67 67 LEU HG H 2.043 0.03 1 733 67 67 LEU C C 174.061 0.3 1 734 67 67 LEU CA C 54.323 0.3 1 735 67 67 LEU CB C 46.611 0.3 1 736 67 67 LEU CD1 C 23.768 0.3 1 737 67 67 LEU CD2 C 26.690 0.3 1 738 67 67 LEU CG C 27.607 0.3 1 739 67 67 LEU N N 126.817 0.3 1 740 68 68 LEU H H 9.442 0.03 1 741 68 68 LEU HA H 5.329 0.03 1 742 68 68 LEU HB2 H 1.715 0.03 2 743 68 68 LEU HB3 H 2.119 0.03 2 744 68 68 LEU HD1 H 0.930 0.03 2 745 68 68 LEU HD2 H 1.078 0.03 2 746 68 68 LEU HG H 1.751 0.03 1 747 68 68 LEU C C 175.935 0.3 1 748 68 68 LEU CA C 54.493 0.3 1 749 68 68 LEU CB C 45.814 0.3 1 750 68 68 LEU CD1 C 24.830 0.3 1 751 68 68 LEU CD2 C 26.424 0.3 1 752 68 68 LEU CG C 27.807 0.3 1 753 68 68 LEU N N 129.190 0.3 1 754 69 69 SER H H 9.460 0.03 1 755 69 69 SER HA H 4.942 0.03 1 756 69 69 SER HB2 H 4.060 0.03 2 757 69 69 SER HB3 H 4.215 0.03 2 758 69 69 SER C C 175.225 0.3 1 759 69 69 SER CA C 56.889 0.3 1 760 69 69 SER CB C 63.417 0.3 1 761 69 69 SER N N 124.219 0.3 1 762 70 70 GLY H H 9.179 0.03 1 763 70 70 GLY HA2 H 3.823 0.03 2 764 70 70 GLY HA3 H 4.204 0.03 2 765 70 70 GLY C C 174.138 0.3 1 766 70 70 GLY CA C 47.574 0.3 1 767 70 70 GLY N N 117.848 0.3 1 768 71 71 GLN H H 8.912 0.03 1 769 71 71 GLN HA H 4.656 0.03 1 770 71 71 GLN HB2 H 2.032 0.03 2 771 71 71 GLN HB3 H 2.653 0.03 2 772 71 71 GLN HE21 H 7.481 0.03 2 773 71 71 GLN HE22 H 6.922 0.03 2 774 71 71 GLN HG2 H 2.304 0.03 2 775 71 71 GLN HG3 H 2.557 0.03 2 776 71 71 GLN C C 172.431 0.3 1 777 71 71 GLN CA C 55.642 0.3 1 778 71 71 GLN CB C 29.250 0.3 1 779 71 71 GLN CD C 179.461 0.3 1 780 71 71 GLN CG C 34.924 0.3 1 781 71 71 GLN N N 125.926 0.3 1 782 71 71 GLN NE2 N 110.841 0.3 1 783 72 72 HIS H H 8.166 0.03 1 784 72 72 HIS HA H 5.320 0.03 1 785 72 72 HIS HB2 H 2.797 0.03 2 786 72 72 HIS HB3 H 3.473 0.03 2 787 72 72 HIS HD2 H 7.391 0.03 1 788 72 72 HIS HE2 H 7.550 0.03 1 789 72 72 HIS C C 174.215 0.3 1 790 72 72 HIS CA C 54.920 0.3 1 791 72 72 HIS CB C 34.167 0.3 1 792 72 72 HIS CD2 C 119.821 0.3 1 793 72 72 HIS N N 118.423 0.3 1 794 73 73 MET H H 9.139 0.03 1 795 73 73 MET HA H 5.070 0.03 1 796 73 73 MET HB2 H 1.932 0.03 2 797 73 73 MET HB3 H 2.322 0.03 2 798 73 73 MET HE H 2.122 0.03 1 799 73 73 MET HG2 H 2.460 0.03 2 800 73 73 MET HG3 H 2.257 0.03 2 801 73 73 MET C C 174.542 0.3 1 802 73 73 MET CA C 54.493 0.3 1 803 73 73 MET CB C 34.568 0.3 1 804 73 73 MET CE C 16.963 0.3 1 805 73 73 MET CG C 31.175 0.3 1 806 73 73 MET N N 128.512 0.3 1 807 74 74 ASP H H 8.610 0.03 1 808 74 74 ASP HA H 4.668 0.03 1 809 74 74 ASP HB2 H 2.550 0.03 2 810 74 74 ASP HB3 H 2.955 0.03 2 811 74 74 ASP C C 176.210 0.3 1 812 74 74 ASP CA C 56.971 0.3 1 813 74 74 ASP CB C 43.158 0.3 1 814 74 74 ASP N N 131.813 0.3 1 815 75 75 ALA H H 7.794 0.03 1 816 75 75 ALA HA H 4.911 0.03 1 817 75 75 ALA HB H 1.887 0.03 1 818 75 75 ALA C C 174.882 0.3 1 819 75 75 ALA CA C 51.932 0.3 1 820 75 75 ALA CB C 23.883 0.3 1 821 75 75 ALA N N 115.198 0.3 1 822 76 76 LEU H H 7.823 0.03 1 823 76 76 LEU HA H 4.946 0.03 1 824 76 76 LEU HB2 H 1.778 0.03 2 825 76 76 LEU HB3 H 1.974 0.03 2 826 76 76 LEU HD1 H 0.873 0.03 2 827 76 76 LEU HD2 H 1.084 0.03 2 828 76 76 LEU HG H 1.366 0.03 1 829 76 76 LEU C C 173.941 0.3 1 830 76 76 LEU CA C 56.426 0.3 1 831 76 76 LEU CB C 42.893 0.3 1 832 76 76 LEU CD1 C 26.258 0.3 1 833 76 76 LEU CD2 C 26.444 0.3 1 834 76 76 LEU CG C 28.549 0.3 1 835 76 76 LEU N N 123.401 0.3 1 836 77 77 PHE H H 8.470 0.03 1 837 77 77 PHE HA H 4.610 0.03 1 838 77 77 PHE HB2 H 1.660 0.03 2 839 77 77 PHE HB3 H 2.527 0.03 2 840 77 77 PHE HD1 H 7.252 0.03 3 841 77 77 PHE HE1 H 7.359 0.03 3 842 77 77 PHE C C 173.280 0.3 1 843 77 77 PHE CA C 57.789 0.3 1 844 77 77 PHE CB C 42.839 0.3 1 845 77 77 PHE CD1 C 131.132 0.3 3 846 77 77 PHE N N 123.000 0.3 1 847 78 78 ILE H H 7.801 0.03 1 848 78 78 ILE HA H 4.608 0.03 1 849 78 78 ILE HB H 1.705 0.03 1 850 78 78 ILE HD1 H 0.668 0.03 1 851 78 78 ILE HG12 H 1.001 0.03 1 852 78 78 ILE HG13 H 1.215 0.03 1 853 78 78 ILE HG2 H 0.883 0.03 1 854 78 78 ILE C C 174.657 0.3 1 855 78 78 ILE CA C 58.564 0.3 1 856 78 78 ILE CB C 40.768 0.3 1 857 78 78 ILE CD1 C 13.674 0.3 1 858 78 78 ILE CG1 C 27.221 0.3 1 859 78 78 ILE CG2 C 17.924 0.3 1 860 78 78 ILE N N 118.390 0.3 1 861 79 79 ASP H H 8.627 0.03 1 862 79 79 ASP HA H 4.630 0.03 1 863 79 79 ASP HB2 H 2.670 0.03 2 864 79 79 ASP HB3 H 2.990 0.03 2 865 79 79 ASP C C 175.888 0.3 1 866 79 79 ASP CA C 53.517 0.3 1 867 79 79 ASP CB C 43.334 0.3 1 868 79 79 ASP N N 127.276 0.3 1 869 80 80 PRO HA H 4.366 0.03 1 870 80 80 PRO HB2 H 2.173 0.03 2 871 80 80 PRO HB3 H 2.403 0.03 2 872 80 80 PRO HD2 H 3.825 0.03 2 873 80 80 PRO HD3 H 3.998 0.03 2 874 80 80 PRO HG2 H 2.088 0.03 2 875 80 80 PRO HG3 H 2.088 0.03 2 876 80 80 PRO C C 178.192 0.3 1 877 80 80 PRO CA C 65.081 0.3 1 878 80 80 PRO CB C 31.906 0.3 1 879 80 80 PRO CD C 50.861 0.3 1 880 80 80 PRO CG C 28.148 0.3 1 881 81 81 ASP H H 9.026 0.03 1 882 81 81 ASP HA H 4.701 0.03 1 883 81 81 ASP HB2 H 2.792 0.03 2 884 81 81 ASP HB3 H 2.830 0.03 2 885 81 81 ASP C C 177.894 0.3 1 886 81 81 ASP CA C 56.439 0.3 1 887 81 81 ASP CB C 40.500 0.3 1 888 81 81 ASP N N 118.071 0.3 1 889 82 82 VAL H H 7.996 0.03 1 890 82 82 VAL HA H 4.805 0.03 1 891 82 82 VAL HB H 2.546 0.03 1 892 82 82 VAL HG1 H 1.049 0.03 2 893 82 82 VAL HG2 H 1.147 0.03 2 894 82 82 VAL C C 176.522 0.3 1 895 82 82 VAL CA C 60.424 0.3 1 896 82 82 VAL CB C 31.441 0.3 1 897 82 82 VAL CG1 C 21.643 0.3 1 898 82 82 VAL CG2 C 20.580 0.3 1 899 82 82 VAL N N 111.350 0.3 1 900 83 83 ARG H H 7.531 0.03 1 901 83 83 ARG HA H 4.230 0.03 1 902 83 83 ARG HB2 H 1.988 0.03 2 903 83 83 ARG HB3 H 2.025 0.03 2 904 83 83 ARG HD2 H 3.359 0.03 2 905 83 83 ARG HD3 H 3.359 0.03 2 906 83 83 ARG HG2 H 1.806 0.03 2 907 83 83 ARG HG3 H 1.806 0.03 2 908 83 83 ARG C C 177.255 0.3 1 909 83 83 ARG CA C 57.909 0.3 1 910 83 83 ARG CB C 30.245 0.3 1 911 83 83 ARG CD C 43.517 0.3 1 912 83 83 ARG CG C 27.161 0.3 1 913 83 83 ARG N N 124.309 0.3 1 914 84 84 GLY HA2 H 4.380 0.03 2 915 84 84 GLY HA3 H 4.094 0.03 2 916 84 84 GLY CA C 45.933 0.3 1 917 85 85 CYS HA H 4.802 0.03 1 918 85 85 CYS HB2 H 3.078 0.03 2 919 85 85 CYS HB3 H 3.295 0.03 2 920 85 85 CYS CA C 59.529 0.3 1 921 85 85 CYS CB C 29.067 0.3 1 922 86 86 GLY HA2 H 4.173 0.03 2 923 86 86 GLY HA3 H 4.283 0.03 2 924 86 86 GLY C C 175.283 0.3 1 925 86 86 GLY CA C 46.465 0.3 1 926 87 87 VAL H H 8.619 0.03 1 927 87 87 VAL HA H 3.497 0.03 1 928 87 87 VAL HB H 2.105 0.03 1 929 87 87 VAL HG1 H 1.027 0.03 2 930 87 87 VAL HG2 H 0.830 0.03 2 931 87 87 VAL C C 177.425 0.3 1 932 87 87 VAL CA C 66.447 0.3 1 933 87 87 VAL CB C 31.682 0.3 1 934 87 87 VAL CG1 C 23.237 0.3 1 935 87 87 VAL CG2 C 22.440 0.3 1 936 87 87 VAL N N 120.997 0.3 1 937 88 88 GLY H H 8.248 0.03 1 938 88 88 GLY HA2 H 3.537 0.03 2 939 88 88 GLY HA3 H 3.613 0.03 2 940 88 88 GLY C C 175.052 0.3 1 941 88 88 GLY CA C 47.940 0.3 1 942 88 88 GLY N N 106.000 0.3 1 943 89 89 ARG H H 8.250 0.03 1 944 89 89 ARG HA H 4.118 0.03 1 945 89 89 ARG HB2 H 2.082 0.03 2 946 89 89 ARG HB3 H 2.082 0.03 2 947 89 89 ARG HD2 H 3.356 0.03 2 948 89 89 ARG HD3 H 3.356 0.03 2 949 89 89 ARG HG2 H 1.784 0.03 2 950 89 89 ARG HG3 H 1.852 0.03 2 951 89 89 ARG C C 177.608 0.3 1 952 89 89 ARG CA C 60.424 0.3 1 953 89 89 ARG CB C 29.757 0.3 1 954 89 89 ARG CD C 43.508 0.3 1 955 89 89 ARG CG C 28.265 0.3 1 956 89 89 ARG N N 121.065 0.3 1 957 90 90 VAL H H 7.853 0.03 1 958 90 90 VAL HA H 3.944 0.03 1 959 90 90 VAL HB H 2.270 0.03 1 960 90 90 VAL HG1 H 1.215 0.03 2 961 90 90 VAL HG2 H 1.063 0.03 2 962 90 90 VAL C C 179.692 0.3 1 963 90 90 VAL CA C 66.533 0.3 1 964 90 90 VAL CB C 31.736 0.3 1 965 90 90 VAL CG1 C 22.971 0.3 1 966 90 90 VAL CG2 C 21.643 0.3 1 967 90 90 VAL N N 117.956 0.3 1 968 91 91 LEU H H 7.921 0.03 1 969 91 91 LEU HA H 4.144 0.03 1 970 91 91 LEU HB2 H 1.785 0.03 2 971 91 91 LEU HB3 H 2.122 0.03 2 972 91 91 LEU HD1 H 0.918 0.03 2 973 91 91 LEU HD2 H 0.748 0.03 2 974 91 91 LEU HG H 1.661 0.03 1 975 91 91 LEU C C 178.441 0.3 1 976 91 91 LEU CA C 58.856 0.3 1 977 91 91 LEU CB C 41.727 0.3 1 978 91 91 LEU CD1 C 22.971 0.3 1 979 91 91 LEU CD2 C 26.127 0.3 1 980 91 91 LEU CG C 27.752 0.3 1 981 91 91 LEU N N 121.226 0.3 1 982 92 92 VAL H H 8.540 0.03 1 983 92 92 VAL HA H 3.722 0.03 1 984 92 92 VAL HB H 2.397 0.03 1 985 92 92 VAL HG1 H 1.378 0.03 2 986 92 92 VAL HG2 H 1.089 0.03 2 987 92 92 VAL C C 177.548 0.3 1 988 92 92 VAL CA C 67.595 0.3 1 989 92 92 VAL CB C 31.782 0.3 1 990 92 92 VAL CG1 C 24.635 0.3 1 991 92 92 VAL CG2 C 21.643 0.3 1 992 92 92 VAL N N 120.263 0.3 1 993 93 93 GLU H H 8.865 0.03 1 994 93 93 GLU HA H 3.937 0.03 1 995 93 93 GLU HB2 H 2.120 0.03 2 996 93 93 GLU HB3 H 2.272 0.03 2 997 93 93 GLU HG2 H 2.335 0.03 2 998 93 93 GLU HG3 H 2.657 0.03 2 999 93 93 GLU C C 179.643 0.3 1 1000 93 93 GLU CA C 60.158 0.3 1 1001 93 93 GLU CB C 29.137 0.3 1 1002 93 93 GLU CG C 37.580 0.3 1 1003 93 93 GLU N N 118.928 0.3 1 1004 94 94 HIS H H 8.114 0.03 1 1005 94 94 HIS HA H 4.357 0.03 1 1006 94 94 HIS HB2 H 3.053 0.03 2 1007 94 94 HIS HB3 H 3.217 0.03 2 1008 94 94 HIS HD2 H 5.544 0.03 1 1009 94 94 HIS HE1 H 7.516 0.03 1 1010 94 94 HIS C C 178.842 0.3 1 1011 94 94 HIS CA C 59.958 0.3 1 1012 94 94 HIS CB C 31.384 0.3 1 1013 94 94 HIS CD2 C 115.083 0.3 1 1014 94 94 HIS CE1 C 137.003 0.3 1 1015 94 94 HIS N N 120.883 0.3 1 1016 95 95 ALA H H 8.425 0.03 1 1017 95 95 ALA HA H 3.757 0.03 1 1018 95 95 ALA HB H 1.756 0.03 1 1019 95 95 ALA C C 179.471 0.3 1 1020 95 95 ALA CA C 56.174 0.3 1 1021 95 95 ALA CB C 19.252 0.3 1 1022 95 95 ALA N N 123.788 0.3 1 1023 96 96 LEU H H 8.645 0.03 1 1024 96 96 LEU HA H 4.146 0.03 1 1025 96 96 LEU HB2 H 1.283 0.03 2 1026 96 96 LEU HB3 H 1.687 0.03 2 1027 96 96 LEU HD1 H 0.328 0.03 2 1028 96 96 LEU HD2 H 0.313 0.03 2 1029 96 96 LEU HG H 1.508 0.03 1 1030 96 96 LEU C C 179.234 0.3 1 1031 96 96 LEU CA C 56.716 0.3 1 1032 96 96 LEU CB C 42.369 0.3 1 1033 96 96 LEU CD1 C 25.162 0.3 1 1034 96 96 LEU CD2 C 23.768 0.3 1 1035 96 96 LEU CG C 26.424 0.3 1 1036 96 96 LEU N N 117.727 0.3 1 1037 97 97 SER H H 7.588 0.03 1 1038 97 97 SER HA H 4.226 0.03 1 1039 97 97 SER HB2 H 3.999 0.03 2 1040 97 97 SER HB3 H 3.999 0.03 2 1041 97 97 SER C C 175.022 0.3 1 1042 97 97 SER CA C 61.080 0.3 1 1043 97 97 SER CB C 63.031 0.3 1 1044 97 97 SER N N 114.376 0.3 1 1045 98 98 MET H H 7.254 0.03 1 1046 98 98 MET HA H 4.521 0.03 1 1047 98 98 MET HB2 H 1.997 0.03 2 1048 98 98 MET HB3 H 2.128 0.03 2 1049 98 98 MET HE H 1.451 0.03 1 1050 98 98 MET HG2 H 2.249 0.03 2 1051 98 98 MET HG3 H 2.409 0.03 2 1052 98 98 MET C C 175.642 0.3 1 1053 98 98 MET CA C 56.174 0.3 1 1054 98 98 MET CB C 34.685 0.3 1 1055 98 98 MET CE C 16.559 0.3 1 1056 98 98 MET CG C 31.736 0.3 1 1057 98 98 MET N N 119.785 0.3 1 1058 99 99 ALA H H 8.156 0.03 1 1059 99 99 ALA HA H 4.892 0.03 1 1060 99 99 ALA HB H 1.421 0.03 1 1061 99 99 ALA C C 172.368 0.3 1 1062 99 99 ALA CA C 50.054 0.3 1 1063 99 99 ALA CB C 20.049 0.3 1 1064 99 99 ALA N N 125.177 0.3 1 1065 100 100 PRO HA H 4.506 0.03 1 1066 100 100 PRO HB2 H 2.114 0.03 2 1067 100 100 PRO HB3 H 2.507 0.03 2 1068 100 100 PRO HD2 H 3.526 0.03 2 1069 100 100 PRO HD3 H 3.853 0.03 2 1070 100 100 PRO HG2 H 2.157 0.03 2 1071 100 100 PRO HG3 H 2.130 0.03 2 1072 100 100 PRO C C 178.105 0.3 1 1073 100 100 PRO CA C 64.408 0.3 1 1074 100 100 PRO CB C 32.533 0.3 1 1075 100 100 PRO CD C 49.929 0.3 1 1076 100 100 PRO CG C 27.498 0.3 1 1077 101 101 GLU H H 8.308 0.03 1 1078 101 101 GLU HA H 4.837 0.03 1 1079 101 101 GLU HB2 H 1.941 0.03 2 1080 101 101 GLU HB3 H 2.290 0.03 2 1081 101 101 GLU HG2 H 2.288 0.03 2 1082 101 101 GLU HG3 H 2.351 0.03 2 1083 101 101 GLU C C 175.088 0.3 1 1084 101 101 GLU CA C 54.580 0.3 1 1085 101 101 GLU CB C 28.549 0.3 1 1086 101 101 GLU CG C 36.882 0.3 1 1087 101 101 GLU N N 117.905 0.3 1 1088 102 102 LEU H H 6.848 0.03 1 1089 102 102 LEU HA H 4.994 0.03 1 1090 102 102 LEU HB2 H 1.660 0.03 2 1091 102 102 LEU HB3 H 2.111 0.03 2 1092 102 102 LEU HD1 H 1.146 0.03 2 1093 102 102 LEU HD2 H 1.033 0.03 2 1094 102 102 LEU HG H 1.749 0.03 1 1095 102 102 LEU C C 176.422 0.3 1 1096 102 102 LEU CA C 55.860 0.3 1 1097 102 102 LEU CB C 45.283 0.3 1 1098 102 102 LEU CD1 C 25.362 0.3 1 1099 102 102 LEU CD2 C 28.283 0.3 1 1100 102 102 LEU CG C 26.960 0.3 1 1101 102 102 LEU N N 121.157 0.3 1 1102 103 103 THR H H 8.902 0.03 1 1103 103 103 THR HA H 5.488 0.03 1 1104 103 103 THR HB H 4.993 0.03 1 1105 103 103 THR HG2 H 1.537 0.03 1 1106 103 103 THR C C 174.296 0.3 1 1107 103 103 THR CA C 59.892 0.3 1 1108 103 103 THR CB C 72.209 0.3 1 1109 103 103 THR CG2 C 22.015 0.3 1 1110 103 103 THR N N 116.086 0.3 1 1111 104 104 THR H H 8.596 0.03 1 1112 104 104 THR HA H 3.877 0.03 1 1113 104 104 THR HB H 3.994 0.03 1 1114 104 104 THR HG2 H -0.099 0.03 1 1115 104 104 THR C C 170.076 0.3 1 1116 104 104 THR CA C 62.814 0.3 1 1117 104 104 THR CB C 69.189 0.3 1 1118 104 104 THR CG2 C 17.290 0.3 1 1119 104 104 THR N N 111.995 0.3 1 1120 105 105 ASN H H 8.483 0.03 1 1121 105 105 ASN HA H 6.200 0.03 1 1122 105 105 ASN HB2 H 2.775 0.03 2 1123 105 105 ASN HB3 H 3.166 0.03 2 1124 105 105 ASN HD21 H 8.250 0.03 2 1125 105 105 ASN HD22 H 7.406 0.03 2 1126 105 105 ASN C C 174.176 0.3 1 1127 105 105 ASN CA C 51.500 0.3 1 1128 105 105 ASN CB C 42.096 0.3 1 1129 105 105 ASN N N 121.187 0.3 1 1130 105 105 ASN ND2 N 115.560 0.3 1 1131 106 106 VAL H H 8.855 0.03 1 1132 106 106 VAL HA H 4.880 0.03 1 1133 106 106 VAL HB H 2.041 0.03 1 1134 106 106 VAL HG1 H 1.032 0.03 2 1135 106 106 VAL HG2 H 1.288 0.03 2 1136 106 106 VAL C C 173.443 0.3 1 1137 106 106 VAL CA C 59.445 0.3 1 1138 106 106 VAL CB C 35.986 0.3 1 1139 106 106 VAL CG1 C 22.440 0.3 1 1140 106 106 VAL CG2 C 22.971 0.3 1 1141 106 106 VAL N N 117.635 0.3 1 1142 107 107 ASN H H 9.042 0.03 1 1143 107 107 ASN HA H 5.034 0.03 1 1144 107 107 ASN HB2 H 2.436 0.03 2 1145 107 107 ASN HB3 H 3.280 0.03 2 1146 107 107 ASN HD21 H 8.861 0.03 2 1147 107 107 ASN HD22 H 7.025 0.03 2 1148 107 107 ASN C C 175.859 0.3 1 1149 107 107 ASN CA C 56.372 0.3 1 1150 107 107 ASN CB C 39.466 0.3 1 1151 107 107 ASN N N 125.398 0.3 1 1152 107 107 ASN ND2 N 112.780 0.3 1 1153 108 108 GLU H H 8.826 0.03 1 1154 108 108 GLU HA H 3.780 0.03 1 1155 108 108 GLU HB2 H 1.822 0.03 2 1156 108 108 GLU HB3 H 2.090 0.03 2 1157 108 108 GLU HG2 H 2.215 0.03 2 1158 108 108 GLU HG3 H 2.335 0.03 2 1159 108 108 GLU C C 176.571 0.3 1 1160 108 108 GLU CA C 59.095 0.3 1 1161 108 108 GLU CB C 31.582 0.3 1 1162 108 108 GLU CG C 36.889 0.3 1 1163 108 108 GLU N N 127.326 0.3 1 1164 109 109 GLN H H 8.228 0.03 1 1165 109 109 GLN HA H 4.103 0.03 1 1166 109 109 GLN HB2 H 0.491 0.03 2 1167 109 109 GLN HB3 H 1.732 0.03 2 1168 109 109 GLN HE21 H 7.908 0.03 2 1169 109 109 GLN HE22 H 7.214 0.03 2 1170 109 109 GLN HG2 H 2.269 0.03 2 1171 109 109 GLN HG3 H 2.462 0.03 2 1172 109 109 GLN C C 175.495 0.3 1 1173 109 109 GLN CA C 56.372 0.3 1 1174 109 109 GLN CB C 29.877 0.3 1 1175 109 109 GLN CG C 36.252 0.3 1 1176 109 109 GLN N N 111.281 0.3 1 1177 109 109 GLN NE2 N 111.848 0.3 1 1178 110 110 ASN H H 7.579 0.03 1 1179 110 110 ASN HA H 5.143 0.03 1 1180 110 110 ASN HB2 H 2.381 0.03 2 1181 110 110 ASN HB3 H 3.729 0.03 2 1182 110 110 ASN HD21 H 6.659 0.03 2 1183 110 110 ASN HD22 H 6.735 0.03 2 1184 110 110 ASN C C 174.113 0.3 1 1185 110 110 ASN CA C 50.566 0.3 1 1186 110 110 ASN CB C 37.247 0.3 1 1187 110 110 ASN N N 118.265 0.3 1 1188 110 110 ASN ND2 N 110.658 0.3 1 1189 111 111 GLU H H 7.912 0.03 1 1190 111 111 GLU HA H 4.029 0.03 1 1191 111 111 GLU HB2 H 2.259 0.03 2 1192 111 111 GLU HB3 H 2.259 0.03 2 1193 111 111 GLU HG2 H 2.426 0.03 2 1194 111 111 GLU HG3 H 2.515 0.03 2 1195 111 111 GLU C C 179.868 0.3 1 1196 111 111 GLU CA C 60.129 0.3 1 1197 111 111 GLU CB C 30.143 0.3 1 1198 111 111 GLU CG C 36.518 0.3 1 1199 111 111 GLU N N 123.287 0.3 1 1200 112 112 GLN H H 9.353 0.03 1 1201 112 112 GLN HA H 4.244 0.03 1 1202 112 112 GLN HB2 H 2.280 0.03 2 1203 112 112 GLN HB3 H 2.280 0.03 2 1204 112 112 GLN HE21 H 7.944 0.03 2 1205 112 112 GLN HE22 H 6.934 0.03 2 1206 112 112 GLN HG2 H 2.522 0.03 2 1207 112 112 GLN HG3 H 2.756 0.03 2 1208 112 112 GLN C C 178.845 0.3 1 1209 112 112 GLN CA C 59.361 0.3 1 1210 112 112 GLN CB C 29.080 0.3 1 1211 112 112 GLN CG C 34.926 0.3 1 1212 112 112 GLN N N 118.940 0.3 1 1213 112 112 GLN NE2 N 112.860 0.3 1 1214 113 113 ALA H H 7.512 0.03 1 1215 113 113 ALA HA H 4.204 0.03 1 1216 113 113 ALA HB H 1.528 0.03 1 1217 113 113 ALA CA C 54.846 0.3 1 1218 113 113 ALA CB C 20.155 0.3 1 1219 113 113 ALA N N 122.918 0.3 1 1220 114 114 VAL H H 8.472 0.03 1 1221 114 114 VAL HA H 3.556 0.03 1 1222 114 114 VAL HB H 2.193 0.03 1 1223 114 114 VAL HG1 H 1.187 0.03 2 1224 114 114 VAL HG2 H 1.032 0.03 2 1225 114 114 VAL C C 178.474 0.3 1 1226 114 114 VAL CA C 68.392 0.3 1 1227 114 114 VAL CB C 32.268 0.3 1 1228 114 114 VAL CG1 C 24.565 0.3 1 1229 114 114 VAL CG2 C 21.643 0.3 1 1230 114 114 VAL N N 118.686 0.3 1 1231 115 115 GLY H H 8.141 0.03 1 1232 115 115 GLY HA2 H 3.957 0.03 2 1233 115 115 GLY HA3 H 4.097 0.03 2 1234 115 115 GLY C C 176.668 0.3 1 1235 115 115 GLY CA C 47.408 0.3 1 1236 115 115 GLY N N 103.537 0.3 1 1237 116 116 PHE H H 7.852 0.03 1 1238 116 116 PHE HA H 4.407 0.03 1 1239 116 116 PHE HB2 H 3.010 0.03 2 1240 116 116 PHE HB3 H 3.323 0.03 2 1241 116 116 PHE HD1 H 6.720 0.03 3 1242 116 116 PHE HE1 H 7.084 0.03 3 1243 116 116 PHE HZ H 6.802 0.03 1 1244 116 116 PHE C C 176.668 0.3 1 1245 116 116 PHE CA C 61.220 0.3 1 1246 116 116 PHE CB C 39.150 0.3 1 1247 116 116 PHE CD1 C 132.643 0.3 3 1248 116 116 PHE CE1 C 131.209 0.3 3 1249 116 116 PHE CZ C 128.137 0.3 1 1250 116 116 PHE N N 123.407 0.3 1 1251 117 117 TYR H H 8.714 0.03 1 1252 117 117 TYR HA H 4.096 0.03 1 1253 117 117 TYR HB2 H 2.660 0.03 2 1254 117 117 TYR HB3 H 2.660 0.03 2 1255 117 117 TYR HD1 H 6.609 0.03 3 1256 117 117 TYR HE1 H 6.559 0.03 3 1257 117 117 TYR C C 179.454 0.3 1 1258 117 117 TYR CA C 61.752 0.3 1 1259 117 117 TYR CB C 37.149 0.3 1 1260 117 117 TYR CD1 C 132.363 0.3 3 1261 117 117 TYR CE1 C 117.900 0.3 3 1262 117 117 TYR N N 117.405 0.3 1 1263 118 118 LYS H H 8.480 0.03 1 1264 118 118 LYS HA H 4.690 0.03 1 1265 118 118 LYS HB2 H 2.093 0.03 2 1266 118 118 LYS HB3 H 2.093 0.03 2 1267 118 118 LYS HD2 H 1.845 0.03 2 1268 118 118 LYS HE2 H 2.951 0.03 2 1269 118 118 LYS HE3 H 3.118 0.03 2 1270 118 118 LYS HG2 H 1.562 0.03 2 1271 118 118 LYS HG3 H 1.858 0.03 2 1272 118 118 LYS C C 180.333 0.3 1 1273 118 118 LYS CA C 60.158 0.3 1 1274 118 118 LYS CB C 32.599 0.3 1 1275 118 118 LYS CD C 30.072 0.3 1 1276 118 118 LYS CE C 42.096 0.3 1 1277 118 118 LYS CG C 25.893 0.3 1 1278 118 118 LYS N N 119.309 0.3 1 1279 119 119 LYS H H 7.973 0.03 1 1280 119 119 LYS HA H 4.238 0.03 1 1281 119 119 LYS HB2 H 2.130 0.03 2 1282 119 119 LYS HB3 H 2.130 0.03 2 1283 119 119 LYS HD2 H 1.850 0.03 2 1284 119 119 LYS HE2 H 3.121 0.03 2 1285 119 119 LYS HG2 H 1.590 0.03 2 1286 119 119 LYS HG3 H 1.668 0.03 2 1287 119 119 LYS C C 178.914 0.3 1 1288 119 119 LYS CA C 59.295 0.3 1 1289 119 119 LYS CB C 32.465 0.3 1 1290 119 119 LYS CD C 29.611 0.3 1 1291 119 119 LYS CE C 42.361 0.3 1 1292 119 119 LYS CG C 25.362 0.3 1 1293 119 119 LYS N N 121.028 0.3 1 1294 120 120 VAL H H 7.835 0.03 1 1295 120 120 VAL HA H 4.356 0.03 1 1296 120 120 VAL HB H 2.431 0.03 1 1297 120 120 VAL HG1 H 0.926 0.03 2 1298 120 120 VAL HG2 H 0.901 0.03 2 1299 120 120 VAL C C 175.569 0.3 1 1300 120 120 VAL CA C 62.590 0.3 1 1301 120 120 VAL CB C 31.736 0.3 1 1302 120 120 VAL CG1 C 20.896 0.3 1 1303 120 120 VAL CG2 C 21.874 0.3 1 1304 120 120 VAL N N 112.751 0.3 1 1305 121 121 GLY H H 7.444 0.03 1 1306 121 121 GLY HA2 H 3.719 0.03 2 1307 121 121 GLY HA3 H 4.463 0.03 2 1308 121 121 GLY C C 174.396 0.3 1 1309 121 121 GLY CA C 46.080 0.3 1 1310 121 121 GLY N N 103.909 0.3 1 1311 122 122 PHE H H 8.604 0.03 1 1312 122 122 PHE HA H 5.075 0.03 1 1313 122 122 PHE HB2 H 2.827 0.03 2 1314 122 122 PHE HB3 H 2.964 0.03 2 1315 122 122 PHE HD1 H 7.436 0.03 3 1316 122 122 PHE HE1 H 7.156 0.03 3 1317 122 122 PHE C C 175.375 0.3 1 1318 122 122 PHE CA C 58.421 0.3 1 1319 122 122 PHE CB C 40.768 0.3 1 1320 122 122 PHE CD1 C 132.783 0.3 3 1321 122 122 PHE CE1 C 130.836 0.3 3 1322 122 122 PHE N N 119.216 0.3 1 1323 123 123 LYS H H 9.287 0.03 1 1324 123 123 LYS HA H 4.943 0.03 1 1325 123 123 LYS HB2 H 1.919 0.03 2 1326 123 123 LYS HB3 H 1.919 0.03 2 1327 123 123 LYS HD2 H 1.758 0.03 2 1328 123 123 LYS HE2 H 3.022 0.03 2 1329 123 123 LYS HG2 H 1.530 0.03 2 1330 123 123 LYS HG3 H 1.450 0.03 2 1331 123 123 LYS C C 175.422 0.3 1 1332 123 123 LYS CA C 53.981 0.3 1 1333 123 123 LYS CB C 36.252 0.3 1 1334 123 123 LYS CD C 29.611 0.3 1 1335 123 123 LYS CE C 42.361 0.3 1 1336 123 123 LYS CG C 25.096 0.3 1 1337 123 123 LYS N N 120.156 0.3 1 1338 124 124 VAL H H 8.858 0.03 1 1339 124 124 VAL HA H 4.595 0.03 1 1340 124 124 VAL HB H 2.211 0.03 1 1341 124 124 VAL HG1 H 1.267 0.03 2 1342 124 124 VAL HG2 H 1.168 0.03 2 1343 124 124 VAL C C 177.988 0.3 1 1344 124 124 VAL CA C 63.194 0.3 1 1345 124 124 VAL CB C 32.533 0.3 1 1346 124 124 VAL CG1 C 22.539 0.3 1 1347 124 124 VAL CG2 C 22.174 0.3 1 1348 124 124 VAL N N 123.022 0.3 1 1349 125 125 THR H H 9.782 0.03 1 1350 125 125 THR HA H 4.688 0.03 1 1351 125 125 THR HB H 4.526 0.03 1 1352 125 125 THR HG2 H 1.273 0.03 1 1353 125 125 THR C C 174.974 0.3 1 1354 125 125 THR CA C 61.752 0.3 1 1355 125 125 THR CB C 69.720 0.3 1 1356 125 125 THR CG2 C 22.500 0.3 1 1357 125 125 THR N N 119.765 0.3 1 1358 126 126 GLY H H 7.923 0.03 1 1359 126 126 GLY HA2 H 4.276 0.03 2 1360 126 126 GLY HA3 H 4.378 0.03 2 1361 126 126 GLY C C 170.510 0.3 1 1362 126 126 GLY CA C 45.814 0.3 1 1363 126 126 GLY N N 110.826 0.3 1 1364 127 127 ARG H H 8.395 0.03 1 1365 127 127 ARG HA H 5.425 0.03 1 1366 127 127 ARG HB2 H 1.714 0.03 2 1367 127 127 ARG HB3 H 1.829 0.03 2 1368 127 127 ARG HD2 H 3.047 0.03 2 1369 127 127 ARG HD3 H 3.222 0.03 2 1370 127 127 ARG HE H 8.639 0.03 1 1371 127 127 ARG HG2 H 1.467 0.03 2 1372 127 127 ARG HG3 H 1.514 0.03 2 1373 127 127 ARG C C 174.909 0.3 1 1374 127 127 ARG CA C 55.176 0.3 1 1375 127 127 ARG CB C 34.127 0.3 1 1376 127 127 ARG CD C 43.424 0.3 1 1377 127 127 ARG CG C 27.852 0.3 1 1378 127 127 ARG N N 118.840 0.3 1 1379 127 127 ARG NE N 115.906 0.3 1 1380 128 128 SER H H 9.376 0.03 1 1381 128 128 SER HA H 5.011 0.03 1 1382 128 128 SER HB2 H 3.995 0.03 2 1383 128 128 SER HB3 H 4.092 0.03 2 1384 128 128 SER C C 174.400 0.3 1 1385 128 128 SER CA C 56.030 0.3 1 1386 128 128 SER CB C 65.736 0.3 1 1387 128 128 SER N N 119.336 0.3 1 1388 129 129 GLU H H 9.165 0.03 1 1389 129 129 GLU HA H 4.237 0.03 1 1390 129 129 GLU HB2 H 2.046 0.03 2 1391 129 129 GLU HB3 H 2.299 0.03 2 1392 129 129 GLU HG2 H 2.438 0.03 2 1393 129 129 GLU HG3 H 2.542 0.03 2 1394 129 129 GLU C C 175.345 0.3 1 1395 129 129 GLU CA C 58.299 0.3 1 1396 129 129 GLU CB C 30.063 0.3 1 1397 129 129 GLU CG C 36.518 0.3 1 1398 129 129 GLU N N 123.192 0.3 1 1399 130 130 VAL H H 7.309 0.03 1 1400 130 130 VAL HA H 5.041 0.03 1 1401 130 130 VAL HB H 1.958 0.03 1 1402 130 130 VAL HG1 H 0.992 0.03 2 1403 130 130 VAL HG2 H 0.795 0.03 2 1404 130 130 VAL C C 175.619 0.3 1 1405 130 130 VAL CA C 57.738 0.3 1 1406 130 130 VAL CB C 35.455 0.3 1 1407 130 130 VAL CG1 C 17.659 0.3 1 1408 130 130 VAL CG2 C 21.643 0.3 1 1409 130 130 VAL N N 105.927 0.3 1 1410 131 131 ASP H H 8.832 0.03 1 1411 131 131 ASP HA H 4.852 0.03 1 1412 131 131 ASP HB2 H 3.741 0.03 2 1413 131 131 ASP HB3 H 3.842 0.03 2 1414 131 131 ASP C C 178.772 0.3 1 1415 131 131 ASP CA C 52.721 0.3 1 1416 131 131 ASP CB C 40.236 0.3 1 1417 131 131 ASP N N 122.241 0.3 1 1418 132 132 ASP H H 8.606 0.03 1 1419 132 132 ASP HA H 4.570 0.03 1 1420 132 132 ASP HB2 H 2.822 0.03 2 1421 132 132 ASP HB3 H 2.915 0.03 2 1422 132 132 ASP C C 177.330 0.3 1 1423 132 132 ASP CA C 57.502 0.3 1 1424 132 132 ASP CB C 40.768 0.3 1 1425 132 132 ASP N N 115.704 0.3 1 1426 133 133 LEU H H 8.345 0.03 1 1427 133 133 LEU HA H 4.782 0.03 1 1428 133 133 LEU HB2 H 1.962 0.03 2 1429 133 133 LEU HB3 H 2.348 0.03 2 1430 133 133 LEU HD1 H 1.245 0.03 2 1431 133 133 LEU HD2 H 1.064 0.03 2 1432 133 133 LEU HG H 1.806 0.03 1 1433 133 133 LEU C C 177.608 0.3 1 1434 133 133 LEU CA C 54.380 0.3 1 1435 133 133 LEU CB C 41.664 0.3 1 1436 133 133 LEU CD1 C 25.707 0.3 1 1437 133 133 LEU CD2 C 23.502 0.3 1 1438 133 133 LEU CG C 28.018 0.3 1 1439 133 133 LEU N N 119.805 0.3 1 1440 134 134 GLY H H 8.360 0.03 1 1441 134 134 GLY HA2 H 3.659 0.03 2 1442 134 134 GLY HA3 H 4.308 0.03 2 1443 134 134 GLY C C 174.616 0.3 1 1444 134 134 GLY CA C 45.785 0.3 1 1445 134 134 GLY N N 108.987 0.3 1 1446 135 135 LYS H H 8.898 0.03 1 1447 135 135 LYS HA H 4.565 0.03 1 1448 135 135 LYS HB2 H 1.712 0.03 2 1449 135 135 LYS HB3 H 2.514 0.03 2 1450 135 135 LYS HD2 H 1.285 0.03 2 1451 135 135 LYS HD3 H 1.501 0.03 2 1452 135 135 LYS HE2 H 2.890 0.03 2 1453 135 135 LYS HE3 H 2.890 0.03 2 1454 135 135 LYS HG2 H 1.043 0.03 2 1455 135 135 LYS HG3 H 1.076 0.03 2 1456 135 135 LYS C C 176.818 0.3 1 1457 135 135 LYS CA C 53.783 0.3 1 1458 135 135 LYS CB C 30.674 0.3 1 1459 135 135 LYS CD C 28.018 0.3 1 1460 135 135 LYS CE C 42.753 0.3 1 1461 135 135 LYS CG C 24.987 0.3 1 1462 135 135 LYS N N 123.721 0.3 1 1463 136 136 PRO HA H 4.833 0.03 1 1464 136 136 PRO HB2 H 2.103 0.03 2 1465 136 136 PRO HB3 H 2.400 0.03 2 1466 136 136 PRO HD2 H 3.390 0.03 2 1467 136 136 PRO HD3 H 3.718 0.03 2 1468 136 136 PRO HG2 H 1.555 0.03 2 1469 136 136 PRO HG3 H 1.815 0.03 2 1470 136 136 PRO C C 173.506 0.3 1 1471 136 136 PRO CA C 63.877 0.3 1 1472 136 136 PRO CB C 27.841 0.3 1 1473 136 136 PRO CD C 50.064 0.3 1 1474 136 136 PRO CG C 27.752 0.3 1 1475 137 137 TYR H H 8.640 0.03 1 1476 137 137 TYR HA H 5.211 0.03 1 1477 137 137 TYR HB2 H 3.131 0.03 2 1478 137 137 TYR HB3 H 3.131 0.03 2 1479 137 137 TYR HD1 H 7.540 0.03 3 1480 137 137 TYR HE1 H 7.214 0.03 3 1481 137 137 TYR C C 172.281 0.3 1 1482 137 137 TYR CA C 54.830 0.3 1 1483 137 137 TYR CB C 40.174 0.3 1 1484 137 137 TYR CD1 C 134.355 0.3 3 1485 137 137 TYR CE1 C 119.236 0.3 3 1486 137 137 TYR N N 125.687 0.3 1 1487 138 138 PRO HA H 4.234 0.03 1 1488 138 138 PRO HB2 H 1.900 0.03 2 1489 138 138 PRO HB3 H 2.410 0.03 2 1490 138 138 PRO HD2 H 3.738 0.03 2 1491 138 138 PRO HD3 H 3.799 0.03 2 1492 138 138 PRO HG2 H 2.091 0.03 2 1493 138 138 PRO C C 177.707 0.3 1 1494 138 138 PRO CA C 63.877 0.3 1 1495 138 138 PRO CB C 33.330 0.3 1 1496 138 138 PRO CD C 50.861 0.3 1 1497 138 138 PRO CG C 28.018 0.3 1 1498 139 139 LEU H H 8.733 0.03 1 1499 139 139 LEU HA H 5.218 0.03 1 1500 139 139 LEU HB2 H 1.388 0.03 2 1501 139 139 LEU HB3 H 1.828 0.03 2 1502 139 139 LEU HD1 H 1.016 0.03 2 1503 139 139 LEU HD2 H 1.016 0.03 2 1504 139 139 LEU HG H 1.101 0.03 1 1505 139 139 LEU C C 176.205 0.3 1 1506 139 139 LEU CA C 53.268 0.3 1 1507 139 139 LEU CB C 46.297 0.3 1 1508 139 139 LEU CD1 C 24.033 0.3 1 1509 139 139 LEU CD2 C 24.033 0.3 1 1510 139 139 LEU CG C 26.351 0.3 1 1511 139 139 LEU N N 122.620 0.3 1 1512 140 140 LEU H H 9.395 0.03 1 1513 140 140 LEU HA H 5.108 0.03 1 1514 140 140 LEU HB2 H 1.487 0.03 2 1515 140 140 LEU HB3 H 1.909 0.03 2 1516 140 140 LEU HD1 H 1.102 0.03 2 1517 140 140 LEU HD2 H 1.097 0.03 2 1518 140 140 LEU HG H 1.647 0.03 1 1519 140 140 LEU C C 176.228 0.3 1 1520 140 140 LEU CA C 53.252 0.3 1 1521 140 140 LEU CB C 43.158 0.3 1 1522 140 140 LEU CD1 C 26.424 0.3 1 1523 140 140 LEU CD2 C 21.908 0.3 1 1524 140 140 LEU CG C 27.487 0.3 1 1525 140 140 LEU N N 118.606 0.3 1 1526 141 141 ASN H H 8.718 0.03 1 1527 141 141 ASN HA H 5.451 0.03 1 1528 141 141 ASN HB2 H 2.524 0.03 2 1529 141 141 ASN HB3 H 3.055 0.03 2 1530 141 141 ASN HD21 H 7.187 0.03 2 1531 141 141 ASN HD22 H 6.945 0.03 2 1532 141 141 ASN C C 174.143 0.3 1 1533 141 141 ASN CA C 52.957 0.3 1 1534 141 141 ASN CB C 40.612 0.3 1 1535 141 141 ASN N N 121.967 0.3 1 1536 141 141 ASN ND2 N 106.476 0.3 1 1537 142 142 LEU H H 9.259 0.03 1 1538 142 142 LEU HA H 5.837 0.03 1 1539 142 142 LEU HB2 H 1.436 0.03 2 1540 142 142 LEU HB3 H 1.701 0.03 2 1541 142 142 LEU HD1 H 0.780 0.03 2 1542 142 142 LEU HD2 H 0.378 0.03 2 1543 142 142 LEU HG H 1.610 0.03 1 1544 142 142 LEU C C 177.222 0.3 1 1545 142 142 LEU CA C 53.517 0.3 1 1546 142 142 LEU CB C 45.549 0.3 1 1547 142 142 LEU CD1 C 25.627 0.3 1 1548 142 142 LEU CD2 C 26.955 0.3 1 1549 142 142 LEU CG C 27.021 0.3 1 1550 142 142 LEU N N 122.744 0.3 1 1551 143 143 ALA H H 9.331 0.03 1 1552 143 143 ALA HA H 5.345 0.03 1 1553 143 143 ALA HB H 1.548 0.03 1 1554 143 143 ALA C C 176.522 0.3 1 1555 143 143 ALA CA C 51.392 0.3 1 1556 143 143 ALA CB C 23.452 0.3 1 1557 143 143 ALA N N 122.923 0.3 1 1558 144 144 TYR H H 9.025 0.03 1 1559 144 144 TYR HA H 3.575 0.03 1 1560 144 144 TYR HB2 H 2.000 0.03 2 1561 144 144 TYR HB3 H 2.692 0.03 2 1562 144 144 TYR HD1 H 6.306 0.03 3 1563 144 144 TYR HE1 H 6.859 0.03 3 1564 144 144 TYR C C 175.083 0.3 1 1565 144 144 TYR CA C 60.641 0.3 1 1566 144 144 TYR CB C 39.174 0.3 1 1567 144 144 TYR CD1 C 132.957 0.3 3 1568 144 144 TYR CE1 C 118.467 0.3 3 1569 144 144 TYR N N 125.042 0.3 1 1570 145 145 VAL H H 7.630 0.03 1 1571 145 145 VAL HA H 4.245 0.03 1 1572 145 145 VAL HB H 2.069 0.03 1 1573 145 145 VAL HG1 H 0.913 0.03 2 1574 145 145 VAL HG2 H 0.950 0.03 2 1575 145 145 VAL C C 175.338 0.3 1 1576 145 145 VAL CA C 62.153 0.3 1 1577 145 145 VAL CB C 34.127 0.3 1 1578 145 145 VAL CG1 C 20.315 0.3 1 1579 145 145 VAL CG2 C 21.377 0.3 1 1580 145 145 VAL N N 124.988 0.3 1 1581 146 146 GLY H H 7.553 0.03 1 1582 146 146 GLY HA2 H 3.710 0.03 2 1583 146 146 GLY HA3 H 4.104 0.03 2 1584 146 146 GLY C C 172.346 0.3 1 1585 146 146 GLY CA C 45.283 0.3 1 1586 146 146 GLY N N 111.125 0.3 1 1587 147 147 ALA H H 7.957 0.03 1 1588 147 147 ALA HA H 4.223 0.03 1 1589 147 147 ALA HB H 1.420 0.03 1 1590 147 147 ALA C C 182.645 0.3 1 1591 147 147 ALA CA C 53.783 0.3 1 1592 147 147 ALA CB C 20.500 0.3 1 1593 147 147 ALA N N 129.524 0.3 1 stop_ save_