data_16563 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112 ; _BMRB_accession_number 16563 _BMRB_flat_file_name bmr16563.str _Entry_type original _Submission_date 2009-10-18 _Accession_date 2009-10-18 _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 Tang Yuefeng . . 2 Montelione Gaetano T. . 3 Ciccosanti Colleen . . 4 Lee Dan . . 5 Janjua Haleema . . 6 Everett John K. . 7 Swapna G.V.T. . . 8 Acton Thomas B. . 9 Rose Burkhard . . 10 Xiao Rong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 661 "13C chemical shifts" 474 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2009-11-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tang Yuefeng . . 2 Montelione Gaetano . . 3 Ciccosanti Colleen . . 4 Lee Dan . . 5 Janjua Haleema . . 6 Everett John . . 7 Swapna G.V.T. . . 8 Acton Thomas . . 9 Rose Burkhard . . 10 Xiao Rong . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Lin0431 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LkR112 $LkR112 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_LkR112 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LkR112 _Molecular_mass 12784.5 _Mol_thiol_state 'all free' _Details 'residue 106 to 114 represent a non native purification tag NLEHHHHHH' ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MKNTGDEVVAIISQNGKVIR EIPLTGHKGNEQFTIKGKGA QYNLMEVDGERIRIKEDNSP DQVGVKMGWKSKAGDTIVCL PHKVFVEIKSTQKDSKDPDT DLIVPNLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ASN 4 THR 5 GLY 6 ASP 7 GLU 8 VAL 9 VAL 10 ALA 11 ILE 12 ILE 13 SER 14 GLN 15 ASN 16 GLY 17 LYS 18 VAL 19 ILE 20 ARG 21 GLU 22 ILE 23 PRO 24 LEU 25 THR 26 GLY 27 HIS 28 LYS 29 GLY 30 ASN 31 GLU 32 GLN 33 PHE 34 THR 35 ILE 36 LYS 37 GLY 38 LYS 39 GLY 40 ALA 41 GLN 42 TYR 43 ASN 44 LEU 45 MET 46 GLU 47 VAL 48 ASP 49 GLY 50 GLU 51 ARG 52 ILE 53 ARG 54 ILE 55 LYS 56 GLU 57 ASP 58 ASN 59 SER 60 PRO 61 ASP 62 GLN 63 VAL 64 GLY 65 VAL 66 LYS 67 MET 68 GLY 69 TRP 70 LYS 71 SER 72 LYS 73 ALA 74 GLY 75 ASP 76 THR 77 ILE 78 VAL 79 CYS 80 LEU 81 PRO 82 HIS 83 LYS 84 VAL 85 PHE 86 VAL 87 GLU 88 ILE 89 LYS 90 SER 91 THR 92 GLN 93 LYS 94 ASP 95 SER 96 LYS 97 ASP 98 PRO 99 ASP 100 THR 101 ASP 102 LEU 103 ILE 104 VAL 105 PRO 106 ASN 107 LEU 108 GLU 109 HIS 110 HIS 111 HIS 112 HIS 113 HIS 114 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2KPP "Solution Nmr Structure Of Lin0431 Protein From Listeria Innocua. Northeast Structural Genomics Consortium Target Lkr112" 100.00 114 100.00 100.00 1.69e-76 EMBL CAC95664 "lin0431 [Listeria innocua Clip11262]" 92.11 140 100.00 100.00 2.98e-69 GB EFR91908 "putative secreted protein [Listeria innocua FSL S4-378]" 92.11 140 100.00 100.00 2.98e-69 GB EFR94989 "putative secreted protein [Listeria innocua FSL J1-023]" 92.11 140 100.00 100.00 2.98e-69 GB EHN61892 "hypothetical protein HMPREF0557_01051 [Listeria innocua ATCC 33091]" 92.11 136 100.00 100.00 3.49e-69 GB KJR52371 "hypothetical protein VC38_10020 [Listeria innocua]" 92.11 140 100.00 100.00 2.98e-69 GB KJR53096 "hypothetical protein VC41_08950 [Listeria innocua]" 92.11 140 100.00 100.00 2.98e-69 REF WP_003760402 "hypothetical protein [Listeria innocua]" 92.11 140 100.00 100.00 2.98e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LkR112 'Listeria innocua' 1642 Eubacteria . Listeria innocua 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 $LkR112 'recombinant technology' . Escherichia coli . LkR112-36-140-21.21 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 $LkR112 0.851 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' CaCl2 5 mM 'natural abundance' DTT 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LkR112 0.887 mM '[U-5% 13C; U-100% 15N]' MES 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' CaCl2 5 mM 'natural abundance' DTT 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_Pdbstat _Saveframe_category software _Name PDBStat _Version 5.1 loop_ _Vendor _Address _Electronic_address 'Tejero and Montelione' . . stop_ loop_ _Task 'PDB analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details cryoprobe 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_2D_High_Resolution_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D High Resolution 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_aromatic_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D aromatic 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_aliphatic_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aliphatic NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_aromatic_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aromatic NOESY' _Sample_label $sample_1 save_ save_3D_simutaeous_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaeous 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' 200 . mM pH 6.5 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal 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' '2D aromatic 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D HN(CO)CACB' '3D 1H-13C aliphatic NOESY' '3D 1H-13C aromatic NOESY' '3D simutaeous 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 LkR112 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LYS HA H 4.372 . 1 2 2 2 LYS HB2 H 1.839 . 2 3 2 2 LYS HB3 H 1.756 . 2 4 2 2 LYS HD2 H 1.683 . 2 5 2 2 LYS HD3 H 1.683 . 2 6 2 2 LYS HE2 H 2.996 . 2 7 2 2 LYS HE3 H 2.996 . 2 8 2 2 LYS HG2 H 1.424 . 2 9 2 2 LYS HG3 H 1.424 . 2 10 2 2 LYS C C 175.901 . 1 11 2 2 LYS CA C 56.443 . 1 12 2 2 LYS CB C 33.232 . 1 13 2 2 LYS CD C 29.146 . 1 14 2 2 LYS CE C 42.154 . 1 15 2 2 LYS CG C 24.647 . 1 16 3 3 ASN H H 8.716 . 1 17 3 3 ASN HA H 4.791 . 1 18 3 3 ASN HB2 H 2.875 . 2 19 3 3 ASN HB3 H 2.797 . 2 20 3 3 ASN HD21 H 7.681 . 2 21 3 3 ASN HD22 H 6.938 . 2 22 3 3 ASN C C 175.507 . 1 23 3 3 ASN CA C 53.433 . 1 24 3 3 ASN CB C 38.855 . 1 25 3 3 ASN N N 121.115 . 1 26 3 3 ASN ND2 N 113.089 . 1 27 4 4 THR H H 8.317 . 1 28 4 4 THR HA H 4.343 . 1 29 4 4 THR HB H 4.248 . 1 30 4 4 THR HG2 H 1.200 . 1 31 4 4 THR C C 175.135 . 1 32 4 4 THR CA C 62.153 . 1 33 4 4 THR CB C 69.807 . 1 34 4 4 THR CG2 C 21.580 . 1 35 4 4 THR N N 114.087 . 1 36 5 5 GLY H H 8.469 . 1 37 5 5 GLY HA2 H 4.010 . 2 38 5 5 GLY HA3 H 4.010 . 2 39 5 5 GLY C C 173.544 . 1 40 5 5 GLY CA C 45.216 . 1 41 5 5 GLY N N 111.153 . 1 42 6 6 ASP H H 8.198 . 1 43 6 6 ASP HA H 4.688 . 1 44 6 6 ASP HB2 H 2.647 . 2 45 6 6 ASP HB3 H 2.569 . 2 46 6 6 ASP C C 175.812 . 1 47 6 6 ASP CA C 54.132 . 1 48 6 6 ASP CB C 41.695 . 1 49 6 6 ASP N N 120.242 . 1 50 7 7 GLU H H 8.484 . 1 51 7 7 GLU HA H 4.683 . 1 52 7 7 GLU HB2 H 2.050 . 2 53 7 7 GLU HB3 H 1.952 . 2 54 7 7 GLU HG2 H 2.227 . 2 55 7 7 GLU HG3 H 2.184 . 2 56 7 7 GLU C C 176.006 . 1 57 7 7 GLU CA C 56.192 . 1 58 7 7 GLU CB C 31.521 . 1 59 7 7 GLU CG C 36.879 . 1 60 7 7 GLU N N 122.312 . 1 61 8 8 VAL H H 8.859 . 1 62 8 8 VAL HA H 5.305 . 1 63 8 8 VAL HB H 1.869 . 1 64 8 8 VAL HG1 H 0.776 . 2 65 8 8 VAL HG2 H 0.831 . 2 66 8 8 VAL C C 176.153 . 1 67 8 8 VAL CA C 59.279 . 1 68 8 8 VAL CB C 35.441 . 1 69 8 8 VAL CG1 C 22.337 . 2 70 8 8 VAL CG2 C 19.645 . 2 71 8 8 VAL N N 115.566 . 1 72 9 9 VAL H H 9.114 . 1 73 9 9 VAL HA H 4.685 . 1 74 9 9 VAL HB H 1.798 . 1 75 9 9 VAL HG1 H 0.781 . 2 76 9 9 VAL HG2 H 0.767 . 2 77 9 9 VAL C C 172.764 . 1 78 9 9 VAL CA C 59.269 . 1 79 9 9 VAL CB C 36.043 . 1 80 9 9 VAL CG1 C 20.436 . 2 81 9 9 VAL CG2 C 20.681 . 2 82 9 9 VAL N N 121.967 . 1 83 10 10 ALA H H 8.902 . 1 84 10 10 ALA HA H 4.916 . 1 85 10 10 ALA HB H 1.118 . 1 86 10 10 ALA C C 174.990 . 1 87 10 10 ALA CA C 50.208 . 1 88 10 10 ALA CB C 19.912 . 1 89 10 10 ALA N N 126.115 . 1 90 11 11 ILE H H 9.392 . 1 91 11 11 ILE HA H 4.443 . 1 92 11 11 ILE HB H 2.045 . 1 93 11 11 ILE HD1 H 0.779 . 1 94 11 11 ILE HG12 H 1.468 . 2 95 11 11 ILE HG13 H 1.183 . 2 96 11 11 ILE HG2 H 0.954 . 1 97 11 11 ILE C C 176.229 . 1 98 11 11 ILE CA C 60.773 . 1 99 11 11 ILE CB C 38.268 . 1 100 11 11 ILE CD1 C 13.000 . 1 101 11 11 ILE CG1 C 27.277 . 1 102 11 11 ILE CG2 C 19.323 . 1 103 11 11 ILE N N 125.088 . 1 104 12 12 ILE H H 9.146 . 1 105 12 12 ILE HA H 4.839 . 1 106 12 12 ILE HB H 2.011 . 1 107 12 12 ILE HD1 H 0.872 . 1 108 12 12 ILE HG12 H 1.541 . 2 109 12 12 ILE HG13 H 1.077 . 2 110 12 12 ILE HG2 H 0.891 . 1 111 12 12 ILE C C 174.593 . 1 112 12 12 ILE CA C 60.970 . 1 113 12 12 ILE CB C 38.824 . 1 114 12 12 ILE CD1 C 15.014 . 1 115 12 12 ILE CG1 C 28.479 . 1 116 12 12 ILE CG2 C 18.297 . 1 117 12 12 ILE N N 129.268 . 1 118 13 13 SER H H 9.694 . 1 119 13 13 SER HA H 5.607 . 1 120 13 13 SER HB2 H 3.679 . 2 121 13 13 SER HB3 H 3.475 . 2 122 13 13 SER C C 172.389 . 1 123 13 13 SER CA C 57.263 . 1 124 13 13 SER CB C 66.255 . 1 125 13 13 SER N N 123.583 . 1 126 14 14 GLN H H 9.099 . 1 127 14 14 GLN HA H 5.443 . 1 128 14 14 GLN HB2 H 2.275 . 2 129 14 14 GLN HB3 H 1.577 . 2 130 14 14 GLN HE21 H 8.065 . 2 131 14 14 GLN HE22 H 6.620 . 2 132 14 14 GLN HG2 H 2.137 . 2 133 14 14 GLN HG3 H 2.274 . 2 134 14 14 GLN C C 176.779 . 1 135 14 14 GLN CA C 54.059 . 1 136 14 14 GLN CB C 32.306 . 1 137 14 14 GLN CG C 33.434 . 1 138 14 14 GLN N N 122.086 . 1 139 14 14 GLN NE2 N 112.982 . 1 140 15 15 ASN H H 9.754 . 1 141 15 15 ASN HA H 4.445 . 1 142 15 15 ASN HB2 H 3.236 . 2 143 15 15 ASN HB3 H 2.726 . 2 144 15 15 ASN HD21 H 7.617 . 2 145 15 15 ASN HD22 H 6.921 . 2 146 15 15 ASN C C 175.105 . 1 147 15 15 ASN CA C 54.640 . 1 148 15 15 ASN CB C 37.567 . 1 149 15 15 ASN N N 126.177 . 1 150 15 15 ASN ND2 N 111.599 . 1 151 16 16 GLY H H 9.072 . 1 152 16 16 GLY HA2 H 4.131 . 2 153 16 16 GLY HA3 H 3.624 . 2 154 16 16 GLY C C 173.448 . 1 155 16 16 GLY CA C 45.397 . 1 156 16 16 GLY N N 103.457 . 1 157 17 17 LYS H H 7.612 . 1 158 17 17 LYS HA H 4.683 . 1 159 17 17 LYS HB2 H 1.866 . 2 160 17 17 LYS HB3 H 1.773 . 2 161 17 17 LYS HD2 H 1.703 . 2 162 17 17 LYS HD3 H 1.492 . 2 163 17 17 LYS HE2 H 3.037 . 2 164 17 17 LYS HE3 H 3.037 . 2 165 17 17 LYS HG2 H 1.438 . 2 166 17 17 LYS HG3 H 1.366 . 2 167 17 17 LYS C C 175.446 . 1 168 17 17 LYS CA C 54.244 . 1 169 17 17 LYS CB C 34.798 . 1 170 17 17 LYS CD C 29.053 . 1 171 17 17 LYS CE C 42.406 . 1 172 17 17 LYS CG C 24.498 . 1 173 17 17 LYS N N 120.793 . 1 174 18 18 VAL H H 8.757 . 1 175 18 18 VAL HA H 3.993 . 1 176 18 18 VAL HB H 1.933 . 1 177 18 18 VAL HG1 H 0.858 . 2 178 18 18 VAL HG2 H 0.939 . 2 179 18 18 VAL C C 177.381 . 1 180 18 18 VAL CA C 64.826 . 1 181 18 18 VAL CB C 31.840 . 1 182 18 18 VAL CG1 C 21.456 . 2 183 18 18 VAL CG2 C 21.818 . 2 184 18 18 VAL N N 125.259 . 1 185 19 19 ILE H H 9.442 . 1 186 19 19 ILE HA H 4.598 . 1 187 19 19 ILE HB H 1.998 . 1 188 19 19 ILE HD1 H 0.947 . 1 189 19 19 ILE HG12 H 1.363 . 2 190 19 19 ILE HG13 H 1.173 . 2 191 19 19 ILE HG2 H 1.093 . 1 192 19 19 ILE C C 176.488 . 1 193 19 19 ILE CA C 61.112 . 1 194 19 19 ILE CB C 39.942 . 1 195 19 19 ILE CD1 C 13.826 . 1 196 19 19 ILE CG1 C 26.938 . 1 197 19 19 ILE CG2 C 18.501 . 1 198 19 19 ILE N N 123.467 . 1 199 20 20 ARG H H 7.777 . 1 200 20 20 ARG HA H 4.498 . 1 201 20 20 ARG HB2 H 1.715 . 2 202 20 20 ARG HB3 H 1.484 . 2 203 20 20 ARG HD2 H 2.858 . 2 204 20 20 ARG HD3 H 2.628 . 2 205 20 20 ARG HE H 6.939 . 1 206 20 20 ARG HG2 H 1.416 . 2 207 20 20 ARG HG3 H 1.333 . 2 208 20 20 ARG C C 172.981 . 1 209 20 20 ARG CA C 55.983 . 1 210 20 20 ARG CB C 34.488 . 1 211 20 20 ARG CD C 42.532 . 1 212 20 20 ARG CG C 27.325 . 1 213 20 20 ARG N N 120.297 . 1 214 20 20 ARG NE N 82.347 . 1 215 21 21 GLU H H 8.534 . 1 216 21 21 GLU HA H 5.123 . 1 217 21 21 GLU HB2 H 1.861 . 2 218 21 21 GLU HB3 H 1.735 . 2 219 21 21 GLU HG2 H 2.071 . 2 220 21 21 GLU HG3 H 2.002 . 2 221 21 21 GLU C C 175.719 . 1 222 21 21 GLU CA C 55.166 . 1 223 21 21 GLU CB C 31.761 . 1 224 21 21 GLU CG C 36.861 . 1 225 21 21 GLU N N 123.704 . 1 226 22 22 ILE H H 9.366 . 1 227 22 22 ILE HA H 4.602 . 1 228 22 22 ILE HB H 1.716 . 1 229 22 22 ILE HD1 H 0.650 . 1 230 22 22 ILE HG12 H 1.303 . 2 231 22 22 ILE HG13 H 0.945 . 2 232 22 22 ILE HG2 H 0.661 . 1 233 22 22 ILE CA C 57.976 . 1 234 22 22 ILE CB C 41.771 . 1 235 22 22 ILE CD1 C 14.820 . 1 236 22 22 ILE CG1 C 27.189 . 1 237 22 22 ILE CG2 C 16.168 . 1 238 22 22 ILE N N 124.604 . 1 239 23 23 PRO HA H 4.464 . 1 240 23 23 PRO HB2 H 2.391 . 2 241 23 23 PRO HB3 H 2.065 . 2 242 23 23 PRO HD2 H 3.878 . 2 243 23 23 PRO HD3 H 3.818 . 2 244 23 23 PRO HG2 H 2.243 . 2 245 23 23 PRO HG3 H 1.940 . 2 246 23 23 PRO C C 175.669 . 1 247 23 23 PRO CA C 63.528 . 1 248 23 23 PRO CB C 31.306 . 1 249 23 23 PRO CD C 51.472 . 1 250 23 23 PRO CG C 27.805 . 1 251 24 24 LEU H H 8.346 . 1 252 24 24 LEU HA H 4.345 . 1 253 24 24 LEU HB2 H 1.616 . 2 254 24 24 LEU HB3 H 1.388 . 2 255 24 24 LEU HD1 H 0.740 . 2 256 24 24 LEU HD2 H 0.490 . 2 257 24 24 LEU HG H 1.669 . 1 258 24 24 LEU C C 178.147 . 1 259 24 24 LEU CA C 55.620 . 1 260 24 24 LEU CB C 42.544 . 1 261 24 24 LEU CD1 C 25.885 . 2 262 24 24 LEU CD2 C 22.938 . 2 263 24 24 LEU CG C 26.232 . 1 264 24 24 LEU N N 125.963 . 1 265 25 25 THR H H 7.333 . 1 266 25 25 THR HA H 3.994 . 1 267 25 25 THR HB H 3.994 . 1 268 25 25 THR HG2 H 1.406 . 1 269 25 25 THR C C 176.102 . 1 270 25 25 THR CA C 65.305 . 1 271 25 25 THR CB C 68.646 . 1 272 25 25 THR CG2 C 22.733 . 1 273 25 25 THR N N 115.493 . 1 274 26 26 GLY H H 9.718 . 1 275 26 26 GLY HA2 H 4.222 . 2 276 26 26 GLY HA3 H 3.649 . 2 277 26 26 GLY C C 173.653 . 1 278 26 26 GLY CA C 45.323 . 1 279 26 26 GLY N N 117.796 . 1 280 27 27 HIS H H 8.120 . 1 281 27 27 HIS HA H 4.271 . 1 282 27 27 HIS HB2 H 3.493 . 2 283 27 27 HIS HB3 H 3.355 . 2 284 27 27 HIS HD2 H 7.527 . 1 285 27 27 HIS HE1 H 7.981 . 1 286 27 27 HIS C C 174.139 . 1 287 27 27 HIS CA C 58.235 . 1 288 27 27 HIS CB C 27.172 . 1 289 27 27 HIS CD2 C 121.194 . 1 290 27 27 HIS CE1 C 134.530 . 1 291 27 27 HIS N N 120.928 . 1 292 28 28 LYS H H 8.052 . 1 293 28 28 LYS HA H 4.534 . 1 294 28 28 LYS HB2 H 1.653 . 2 295 28 28 LYS HB3 H 1.581 . 2 296 28 28 LYS HD2 H 1.591 . 2 297 28 28 LYS HD3 H 1.591 . 2 298 28 28 LYS HE2 H 2.952 . 2 299 28 28 LYS HE3 H 2.952 . 2 300 28 28 LYS HG2 H 1.388 . 2 301 28 28 LYS HG3 H 1.308 . 2 302 28 28 LYS C C 176.063 . 1 303 28 28 LYS CA C 54.367 . 1 304 28 28 LYS CB C 35.012 . 1 305 28 28 LYS CD C 28.696 . 1 306 28 28 LYS CE C 42.299 . 1 307 28 28 LYS CG C 24.404 . 1 308 28 28 LYS N N 127.192 . 1 309 29 29 GLY H H 8.559 . 1 310 29 29 GLY HA2 H 4.058 . 2 311 29 29 GLY HA3 H 3.777 . 2 312 29 29 GLY C C 172.245 . 1 313 29 29 GLY CA C 44.450 . 1 314 29 29 GLY N N 108.577 . 1 315 30 30 ASN H H 8.532 . 1 316 30 30 ASN HA H 5.940 . 1 317 30 30 ASN HB2 H 2.677 . 2 318 30 30 ASN HB3 H 2.677 . 2 319 30 30 ASN HD21 H 9.236 . 2 320 30 30 ASN HD22 H 8.437 . 2 321 30 30 ASN C C 174.636 . 1 322 30 30 ASN CA C 53.456 . 1 323 30 30 ASN CB C 43.365 . 1 324 30 30 ASN N N 120.207 . 1 325 30 30 ASN ND2 N 117.057 . 1 326 31 31 GLU H H 9.531 . 1 327 31 31 GLU HA H 4.896 . 1 328 31 31 GLU HB2 H 2.164 . 2 329 31 31 GLU HB3 H 2.164 . 2 330 31 31 GLU HG2 H 2.396 . 2 331 31 31 GLU HG3 H 2.318 . 2 332 31 31 GLU C C 174.079 . 1 333 31 31 GLU CA C 55.488 . 1 334 31 31 GLU CB C 34.037 . 1 335 31 31 GLU CG C 36.975 . 1 336 31 31 GLU N N 126.516 . 1 337 32 32 GLN H H 8.823 . 1 338 32 32 GLN HA H 5.613 . 1 339 32 32 GLN HB2 H 2.137 . 2 340 32 32 GLN HB3 H 1.780 . 2 341 32 32 GLN HE21 H 7.815 . 2 342 32 32 GLN HE22 H 6.701 . 2 343 32 32 GLN HG2 H 2.205 . 2 344 32 32 GLN HG3 H 2.548 . 2 345 32 32 GLN C C 175.654 . 1 346 32 32 GLN CA C 53.886 . 1 347 32 32 GLN CB C 32.484 . 1 348 32 32 GLN CG C 34.092 . 1 349 32 32 GLN N N 122.567 . 1 350 32 32 GLN NE2 N 111.756 . 1 351 33 33 PHE H H 8.318 . 1 352 33 33 PHE HA H 5.026 . 1 353 33 33 PHE HB2 H 3.334 . 2 354 33 33 PHE HB3 H 3.026 . 2 355 33 33 PHE HD1 H 6.882 . 2 356 33 33 PHE HD2 H 6.880 . 2 357 33 33 PHE HE1 H 6.880 . 2 358 33 33 PHE HE2 H 6.880 . 2 359 33 33 PHE HZ H 6.750 . 1 360 33 33 PHE C C 172.616 . 1 361 33 33 PHE CA C 56.082 . 1 362 33 33 PHE CB C 40.025 . 1 363 33 33 PHE CD1 C 133.229 . 2 364 33 33 PHE CD2 C 133.221 . 2 365 33 33 PHE CE1 C 129.866 . 2 366 33 33 PHE CE2 C 129.866 . 2 367 33 33 PHE CZ C 127.991 . 1 368 33 33 PHE N N 117.447 . 1 369 34 34 THR H H 9.075 . 1 370 34 34 THR HA H 5.021 . 1 371 34 34 THR HB H 3.971 . 1 372 34 34 THR HG2 H 1.120 . 1 373 34 34 THR C C 174.635 . 1 374 34 34 THR CA C 62.404 . 1 375 34 34 THR CB C 70.189 . 1 376 34 34 THR CG2 C 22.656 . 1 377 34 34 THR N N 118.314 . 1 378 35 35 ILE H H 9.081 . 1 379 35 35 ILE HA H 4.400 . 1 380 35 35 ILE HB H 1.815 . 1 381 35 35 ILE HD1 H 0.909 . 1 382 35 35 ILE HG12 H 1.644 . 2 383 35 35 ILE HG13 H 1.241 . 2 384 35 35 ILE HG2 H 0.818 . 1 385 35 35 ILE C C 175.980 . 1 386 35 35 ILE CA C 59.828 . 1 387 35 35 ILE CB C 39.560 . 1 388 35 35 ILE CD1 C 14.495 . 1 389 35 35 ILE CG1 C 26.835 . 1 390 35 35 ILE CG2 C 17.509 . 1 391 35 35 ILE N N 127.131 . 1 392 36 36 LYS H H 9.316 . 1 393 36 36 LYS HA H 4.627 . 1 394 36 36 LYS HB2 H 1.793 . 2 395 36 36 LYS HB3 H 2.012 . 2 396 36 36 LYS HD2 H 1.731 . 2 397 36 36 LYS HD3 H 1.731 . 2 398 36 36 LYS HE2 H 3.023 . 2 399 36 36 LYS HE3 H 3.023 . 2 400 36 36 LYS HG2 H 1.548 . 2 401 36 36 LYS HG3 H 1.443 . 2 402 36 36 LYS C C 176.412 . 1 403 36 36 LYS CA C 56.355 . 1 404 36 36 LYS CB C 33.397 . 1 405 36 36 LYS CD C 28.717 . 1 406 36 36 LYS CE C 41.951 . 1 407 36 36 LYS CG C 25.127 . 1 408 36 36 LYS N N 131.473 . 1 409 37 37 GLY H H 7.971 . 1 410 37 37 GLY HA2 H 4.395 . 2 411 37 37 GLY HA3 H 3.481 . 2 412 37 37 GLY C C 172.865 . 1 413 37 37 GLY CA C 44.206 . 1 414 37 37 GLY N N 113.290 . 1 415 38 38 LYS H H 7.977 . 1 416 38 38 LYS HA H 4.256 . 1 417 38 38 LYS HB2 H 1.649 . 2 418 38 38 LYS HB3 H 1.649 . 2 419 38 38 LYS HD2 H 1.667 . 2 420 38 38 LYS HD3 H 1.667 . 2 421 38 38 LYS HE2 H 2.987 . 2 422 38 38 LYS HE3 H 2.987 . 2 423 38 38 LYS HG2 H 1.437 . 2 424 38 38 LYS HG3 H 1.361 . 2 425 38 38 LYS C C 177.854 . 1 426 38 38 LYS CA C 55.703 . 1 427 38 38 LYS CB C 33.109 . 1 428 38 38 LYS CD C 29.116 . 1 429 38 38 LYS CE C 42.225 . 1 430 38 38 LYS CG C 24.697 . 1 431 38 38 LYS N N 123.418 . 1 432 39 39 GLY H H 8.789 . 1 433 39 39 GLY HA2 H 3.703 . 2 434 39 39 GLY HA3 H 3.794 . 2 435 39 39 GLY C C 174.770 . 1 436 39 39 GLY CA C 47.287 . 1 437 39 39 GLY N N 113.099 . 1 438 40 40 ALA H H 8.881 . 1 439 40 40 ALA HA H 4.399 . 1 440 40 40 ALA HB H 1.407 . 1 441 40 40 ALA C C 178.801 . 1 442 40 40 ALA CA C 51.658 . 1 443 40 40 ALA CB C 19.137 . 1 444 40 40 ALA N N 129.184 . 1 445 41 41 GLN H H 7.959 . 1 446 41 41 GLN HA H 3.954 . 1 447 41 41 GLN HB2 H 0.116 . 2 448 41 41 GLN HB3 H 1.654 . 2 449 41 41 GLN HE21 H 7.603 . 2 450 41 41 GLN HE22 H 6.454 . 2 451 41 41 GLN HG2 H 2.525 . 2 452 41 41 GLN HG3 H 2.011 . 2 453 41 41 GLN C C 177.363 . 1 454 41 41 GLN CA C 57.174 . 1 455 41 41 GLN CB C 28.718 . 1 456 41 41 GLN CG C 33.242 . 1 457 41 41 GLN N N 120.540 . 1 458 41 41 GLN NE2 N 109.490 . 1 459 42 42 TYR H H 8.758 . 1 460 42 42 TYR HA H 5.436 . 1 461 42 42 TYR HB2 H 2.886 . 2 462 42 42 TYR HB3 H 2.691 . 2 463 42 42 TYR HD1 H 6.932 . 2 464 42 42 TYR HD2 H 6.932 . 2 465 42 42 TYR HE1 H 6.629 . 2 466 42 42 TYR HE2 H 6.629 . 2 467 42 42 TYR C C 173.668 . 1 468 42 42 TYR CA C 57.134 . 1 469 42 42 TYR CB C 41.359 . 1 470 42 42 TYR CD1 C 133.373 . 2 471 42 42 TYR CD2 C 133.373 . 2 472 42 42 TYR CE1 C 117.627 . 2 473 42 42 TYR CE2 C 117.627 . 2 474 42 42 TYR N N 121.537 . 1 475 43 43 ASN H H 8.417 . 1 476 43 43 ASN HA H 4.779 . 1 477 43 43 ASN HB2 H 2.369 . 2 478 43 43 ASN HB3 H 2.369 . 2 479 43 43 ASN HD21 H 6.845 . 2 480 43 43 ASN HD22 H 6.565 . 2 481 43 43 ASN C C 171.910 . 1 482 43 43 ASN CA C 54.162 . 1 483 43 43 ASN CB C 42.431 . 1 484 43 43 ASN N N 112.825 . 1 485 43 43 ASN ND2 N 115.671 . 1 486 44 44 LEU H H 9.374 . 1 487 44 44 LEU HA H 4.760 . 1 488 44 44 LEU HB2 H 2.234 . 2 489 44 44 LEU HB3 H 1.380 . 2 490 44 44 LEU HD1 H 0.828 . 2 491 44 44 LEU HD2 H 0.839 . 2 492 44 44 LEU HG H 1.365 . 1 493 44 44 LEU C C 174.066 . 1 494 44 44 LEU CA C 55.196 . 1 495 44 44 LEU CB C 42.567 . 1 496 44 44 LEU CD1 C 23.743 . 2 497 44 44 LEU CD2 C 25.965 . 2 498 44 44 LEU CG C 27.903 . 1 499 44 44 LEU N N 128.409 . 1 500 45 45 MET H H 9.007 . 1 501 45 45 MET HA H 4.766 . 1 502 45 45 MET HB2 H 1.076 . 2 503 45 45 MET HB3 H 0.495 . 2 504 45 45 MET HE H 1.518 . 1 505 45 45 MET HG2 H 2.146 . 2 506 45 45 MET HG3 H 2.089 . 2 507 45 45 MET C C 174.485 . 1 508 45 45 MET CA C 52.178 . 1 509 45 45 MET CB C 30.354 . 1 510 45 45 MET CE C 14.643 . 1 511 45 45 MET CG C 32.252 . 1 512 45 45 MET N N 126.006 . 1 513 46 46 GLU H H 8.642 . 1 514 46 46 GLU HA H 5.068 . 1 515 46 46 GLU HB2 H 1.750 . 2 516 46 46 GLU HB3 H 1.504 . 2 517 46 46 GLU HG2 H 2.298 . 2 518 46 46 GLU HG3 H 2.124 . 2 519 46 46 GLU C C 173.237 . 1 520 46 46 GLU CA C 54.592 . 1 521 46 46 GLU CB C 35.340 . 1 522 46 46 GLU CG C 35.939 . 1 523 46 46 GLU N N 120.778 . 1 524 47 47 VAL H H 9.376 . 1 525 47 47 VAL HA H 5.053 . 1 526 47 47 VAL HB H 1.903 . 1 527 47 47 VAL HG1 H 0.385 . 2 528 47 47 VAL HG2 H 0.849 . 2 529 47 47 VAL C C 175.075 . 1 530 47 47 VAL CA C 60.260 . 1 531 47 47 VAL CB C 32.807 . 1 532 47 47 VAL CG1 C 20.853 . 2 533 47 47 VAL CG2 C 20.887 . 2 534 47 47 VAL N N 127.144 . 1 535 48 48 ASP H H 8.620 . 1 536 48 48 ASP HA H 5.617 . 1 537 48 48 ASP HB2 H 2.416 . 2 538 48 48 ASP HB3 H 2.521 . 2 539 48 48 ASP C C 176.508 . 1 540 48 48 ASP CA C 53.191 . 1 541 48 48 ASP CB C 46.076 . 1 542 48 48 ASP N N 127.406 . 1 543 49 49 GLY H H 9.212 . 1 544 49 49 GLY HA2 H 3.857 . 2 545 49 49 GLY HA3 H 3.987 . 2 546 49 49 GLY CA C 47.577 . 1 547 49 49 GLY N N 115.426 . 1 548 50 50 GLU HA H 4.761 . 1 549 50 50 GLU HB2 H 2.087 . 2 550 50 50 GLU HB3 H 1.869 . 2 551 50 50 GLU HG2 H 2.682 . 2 552 50 50 GLU HG3 H 2.449 . 2 553 50 50 GLU C C 174.013 . 1 554 50 50 GLU CA C 55.087 . 1 555 50 50 GLU CB C 28.592 . 1 556 50 50 GLU CG C 36.814 . 1 557 51 51 ARG H H 7.637 . 1 558 51 51 ARG HA H 5.249 . 1 559 51 51 ARG HB2 H 1.761 . 2 560 51 51 ARG HB3 H 1.761 . 2 561 51 51 ARG HD2 H 2.800 . 2 562 51 51 ARG HD3 H 2.304 . 2 563 51 51 ARG HE H 5.805 . 1 564 51 51 ARG HG2 H 1.591 . 2 565 51 51 ARG HG3 H 1.357 . 2 566 51 51 ARG C C 173.605 . 1 567 51 51 ARG CA C 54.189 . 1 568 51 51 ARG CB C 34.782 . 1 569 51 51 ARG CD C 43.953 . 1 570 51 51 ARG CG C 25.829 . 1 571 51 51 ARG N N 115.764 . 1 572 51 51 ARG NE N 82.547 . 1 573 52 52 ILE H H 9.035 . 1 574 52 52 ILE HA H 6.004 . 1 575 52 52 ILE HB H 1.522 . 1 576 52 52 ILE HD1 H 0.632 . 1 577 52 52 ILE HG12 H 1.798 . 2 578 52 52 ILE HG13 H 0.714 . 2 579 52 52 ILE HG2 H 0.755 . 1 580 52 52 ILE C C 171.764 . 1 581 52 52 ILE CA C 58.182 . 1 582 52 52 ILE CB C 43.165 . 1 583 52 52 ILE CD1 C 15.050 . 1 584 52 52 ILE CG1 C 28.769 . 1 585 52 52 ILE CG2 C 14.885 . 1 586 52 52 ILE N N 117.705 . 1 587 53 53 ARG H H 8.824 . 1 588 53 53 ARG HA H 4.609 . 1 589 53 53 ARG HB2 H 1.074 . 2 590 53 53 ARG HB3 H 0.762 . 2 591 53 53 ARG HD2 H 0.103 . 2 592 53 53 ARG HD3 H 2.127 . 2 593 53 53 ARG HE H 6.129 . 1 594 53 53 ARG HG2 H 0.293 . 2 595 53 53 ARG HG3 H 0.224 . 2 596 53 53 ARG C C 175.432 . 1 597 53 53 ARG CA C 54.310 . 1 598 53 53 ARG CB C 33.547 . 1 599 53 53 ARG CD C 42.619 . 1 600 53 53 ARG CG C 24.428 . 1 601 53 53 ARG N N 120.372 . 1 602 53 53 ARG NE N 84.563 . 1 603 54 54 ILE H H 9.002 . 1 604 54 54 ILE HA H 4.199 . 1 605 54 54 ILE HB H 1.328 . 1 606 54 54 ILE HD1 H 0.506 . 1 607 54 54 ILE HG12 H 1.459 . 2 608 54 54 ILE HG13 H 0.750 . 2 609 54 54 ILE HG2 H 0.750 . 1 610 54 54 ILE C C 175.223 . 1 611 54 54 ILE CA C 61.769 . 1 612 54 54 ILE CB C 37.716 . 1 613 54 54 ILE CD1 C 13.926 . 1 614 54 54 ILE CG1 C 26.913 . 1 615 54 54 ILE CG2 C 19.126 . 1 616 54 54 ILE N N 119.166 . 1 617 55 55 LYS H H 8.918 . 1 618 55 55 LYS HA H 3.562 . 1 619 55 55 LYS HB2 H 1.756 . 2 620 55 55 LYS HB3 H 1.371 . 2 621 55 55 LYS HD2 H 1.644 . 2 622 55 55 LYS HD3 H 1.300 . 2 623 55 55 LYS HE2 H 2.887 . 2 624 55 55 LYS HE3 H 2.865 . 2 625 55 55 LYS HG2 H 1.222 . 2 626 55 55 LYS HG3 H 1.118 . 2 627 55 55 LYS C C 176.184 . 1 628 55 55 LYS CA C 58.854 . 1 629 55 55 LYS CB C 34.045 . 1 630 55 55 LYS CD C 28.841 . 1 631 55 55 LYS CE C 42.470 . 1 632 55 55 LYS CG C 25.509 . 1 633 55 55 LYS N N 130.286 . 1 634 56 56 GLU H H 7.530 . 1 635 56 56 GLU HA H 4.601 . 1 636 56 56 GLU HB2 H 2.021 . 2 637 56 56 GLU HB3 H 2.086 . 2 638 56 56 GLU HG2 H 2.273 . 2 639 56 56 GLU HG3 H 2.107 . 2 640 56 56 GLU C C 173.050 . 1 641 56 56 GLU CA C 54.880 . 1 642 56 56 GLU CB C 33.860 . 1 643 56 56 GLU CG C 36.580 . 1 644 56 56 GLU N N 113.728 . 1 645 57 57 ASP H H 9.178 . 1 646 57 57 ASP HA H 3.896 . 1 647 57 57 ASP HB2 H 3.657 . 2 648 57 57 ASP HB3 H 2.714 . 2 649 57 57 ASP C C 174.064 . 1 650 57 57 ASP CA C 53.551 . 1 651 57 57 ASP CB C 43.612 . 1 652 57 57 ASP N N 121.386 . 1 653 58 58 ASN H H 7.311 . 1 654 58 58 ASN HA H 5.056 . 1 655 58 58 ASN HB2 H 3.314 . 2 656 58 58 ASN HB3 H 2.668 . 2 657 58 58 ASN HD21 H 7.585 . 2 658 58 58 ASN HD22 H 7.258 . 2 659 58 58 ASN C C 177.192 . 1 660 58 58 ASN CA C 50.539 . 1 661 58 58 ASN CB C 36.414 . 1 662 58 58 ASN N N 113.344 . 1 663 58 58 ASN ND2 N 108.077 . 1 664 59 59 SER H H 9.590 . 1 665 59 59 SER HA H 4.305 . 1 666 59 59 SER HB2 H 3.564 . 2 667 59 59 SER HB3 H 2.851 . 2 668 59 59 SER CA C 58.255 . 1 669 59 59 SER CB C 61.843 . 1 670 59 59 SER N N 121.122 . 1 671 60 60 PRO HA H 4.425 . 1 672 60 60 PRO HB2 H 2.418 . 2 673 60 60 PRO HB3 H 2.044 . 2 674 60 60 PRO HD2 H 3.497 . 2 675 60 60 PRO HD3 H 4.003 . 2 676 60 60 PRO HG2 H 2.206 . 2 677 60 60 PRO HG3 H 2.078 . 2 678 60 60 PRO C C 177.020 . 1 679 60 60 PRO CA C 64.418 . 1 680 60 60 PRO CB C 31.727 . 1 681 60 60 PRO CD C 50.337 . 1 682 60 60 PRO CG C 27.650 . 1 683 61 61 ASP H H 7.983 . 1 684 61 61 ASP HA H 4.606 . 1 685 61 61 ASP HB2 H 2.831 . 2 686 61 61 ASP HB3 H 2.679 . 2 687 61 61 ASP C C 176.428 . 1 688 61 61 ASP CA C 53.802 . 1 689 61 61 ASP CB C 41.428 . 1 690 61 61 ASP N N 112.568 . 1 691 62 62 GLN H H 7.839 . 1 692 62 62 GLN HA H 3.707 . 1 693 62 62 GLN HB2 H 2.361 . 2 694 62 62 GLN HB3 H 2.216 . 2 695 62 62 GLN HE21 H 7.795 . 2 696 62 62 GLN HE22 H 6.841 . 2 697 62 62 GLN HG2 H 2.196 . 2 698 62 62 GLN HG3 H 1.951 . 2 699 62 62 GLN C C 174.751 . 1 700 62 62 GLN CA C 56.514 . 1 701 62 62 GLN CB C 26.576 . 1 702 62 62 GLN CG C 33.811 . 1 703 62 62 GLN N N 113.730 . 1 704 62 62 GLN NE2 N 119.060 . 1 705 63 63 VAL H H 7.305 . 1 706 63 63 VAL HA H 3.397 . 1 707 63 63 VAL HB H 2.031 . 1 708 63 63 VAL HG1 H 0.946 . 2 709 63 63 VAL HG2 H 0.928 . 2 710 63 63 VAL C C 178.501 . 1 711 63 63 VAL CA C 67.203 . 1 712 63 63 VAL CB C 31.960 . 1 713 63 63 VAL CG1 C 21.066 . 2 714 63 63 VAL CG2 C 23.323 . 2 715 63 63 VAL N N 121.045 . 1 716 64 64 GLY H H 8.182 . 1 717 64 64 GLY HA2 H 3.786 . 2 718 64 64 GLY HA3 H 3.427 . 2 719 64 64 GLY C C 177.476 . 1 720 64 64 GLY CA C 48.442 . 1 721 64 64 GLY N N 110.730 . 1 722 65 65 VAL H H 8.108 . 1 723 65 65 VAL HA H 3.485 . 1 724 65 65 VAL HB H 1.687 . 1 725 65 65 VAL HG1 H 0.796 . 2 726 65 65 VAL HG2 H 0.676 . 2 727 65 65 VAL C C 180.552 . 1 728 65 65 VAL CA C 66.186 . 1 729 65 65 VAL CB C 32.397 . 1 730 65 65 VAL CG1 C 20.929 . 2 731 65 65 VAL CG2 C 22.810 . 2 732 65 65 VAL N N 124.697 . 1 733 66 66 LYS H H 8.140 . 1 734 66 66 LYS HA H 3.994 . 1 735 66 66 LYS HB2 H 1.925 . 2 736 66 66 LYS HB3 H 1.925 . 2 737 66 66 LYS HD2 H 1.613 . 2 738 66 66 LYS HD3 H 1.682 . 2 739 66 66 LYS HE2 H 2.955 . 2 740 66 66 LYS HE3 H 2.937 . 2 741 66 66 LYS HG2 H 1.706 . 2 742 66 66 LYS HG3 H 1.488 . 2 743 66 66 LYS C C 175.672 . 1 744 66 66 LYS CA C 59.001 . 1 745 66 66 LYS CB C 32.242 . 1 746 66 66 LYS CD C 29.378 . 1 747 66 66 LYS CE C 42.312 . 1 748 66 66 LYS CG C 26.394 . 1 749 66 66 LYS N N 120.070 . 1 750 67 67 MET H H 7.716 . 1 751 67 67 MET HA H 4.146 . 1 752 67 67 MET HB2 H 2.423 . 2 753 67 67 MET HB3 H 2.050 . 2 754 67 67 MET HG2 H 2.676 . 2 755 67 67 MET HG3 H 3.448 . 2 756 67 67 MET C C 177.428 . 1 757 67 67 MET CA C 58.955 . 1 758 67 67 MET CB C 32.439 . 1 759 67 67 MET CG C 34.072 . 1 760 67 67 MET N N 118.739 . 1 761 68 68 GLY H H 7.169 . 1 762 68 68 GLY HA2 H 3.944 . 2 763 68 68 GLY HA3 H 3.633 . 2 764 68 68 GLY C C 172.979 . 1 765 68 68 GLY CA C 45.301 . 1 766 68 68 GLY N N 103.435 . 1 767 69 69 TRP H H 7.743 . 1 768 69 69 TRP HA H 4.731 . 1 769 69 69 TRP HB2 H 3.111 . 2 770 69 69 TRP HB3 H 2.963 . 2 771 69 69 TRP HD1 H 7.339 . 1 772 69 69 TRP HE1 H 10.118 . 1 773 69 69 TRP HE3 H 7.209 . 1 774 69 69 TRP HH2 H 6.773 . 1 775 69 69 TRP HZ2 H 7.285 . 1 776 69 69 TRP HZ3 H 6.820 . 1 777 69 69 TRP C C 178.114 . 1 778 69 69 TRP CA C 56.905 . 1 779 69 69 TRP CB C 31.845 . 1 780 69 69 TRP CD1 C 128.741 . 1 781 69 69 TRP CE3 C 120.378 . 1 782 69 69 TRP CH2 C 124.483 . 1 783 69 69 TRP CZ2 C 114.338 . 1 784 69 69 TRP CZ3 C 121.872 . 1 785 69 69 TRP N N 117.310 . 1 786 69 69 TRP NE1 N 129.804 . 1 787 70 70 LYS H H 9.682 . 1 788 70 70 LYS HA H 4.917 . 1 789 70 70 LYS HB2 H 2.068 . 2 790 70 70 LYS HB3 H 1.546 . 2 791 70 70 LYS HD2 H 2.074 . 2 792 70 70 LYS HD3 H 1.457 . 2 793 70 70 LYS HE2 H 3.124 . 2 794 70 70 LYS HE3 H 2.813 . 2 795 70 70 LYS HG2 H 1.377 . 2 796 70 70 LYS HG3 H 1.377 . 2 797 70 70 LYS C C 175.899 . 1 798 70 70 LYS CA C 53.507 . 1 799 70 70 LYS CB C 34.817 . 1 800 70 70 LYS CD C 27.637 . 1 801 70 70 LYS CE C 42.548 . 1 802 70 70 LYS CG C 23.991 . 1 803 70 70 LYS N N 120.763 . 1 804 71 71 SER H H 8.382 . 1 805 71 71 SER HA H 4.597 . 1 806 71 71 SER HB2 H 4.088 . 2 807 71 71 SER HB3 H 3.822 . 2 808 71 71 SER C C 172.421 . 1 809 71 71 SER CA C 59.886 . 1 810 71 71 SER CB C 66.047 . 1 811 71 71 SER N N 109.615 . 1 812 72 72 LYS H H 8.772 . 1 813 72 72 LYS HA H 4.710 . 1 814 72 72 LYS HB2 H 1.784 . 2 815 72 72 LYS HB3 H 1.784 . 2 816 72 72 LYS HD2 H 1.711 . 2 817 72 72 LYS HD3 H 1.711 . 2 818 72 72 LYS HE2 H 3.048 . 2 819 72 72 LYS HE3 H 3.048 . 2 820 72 72 LYS HG2 H 1.493 . 2 821 72 72 LYS HG3 H 1.493 . 2 822 72 72 LYS C C 175.605 . 1 823 72 72 LYS CA C 54.446 . 1 824 72 72 LYS CB C 34.865 . 1 825 72 72 LYS CD C 29.046 . 1 826 72 72 LYS CE C 42.353 . 1 827 72 72 LYS CG C 24.453 . 1 828 72 72 LYS N N 124.576 . 1 829 73 73 ALA H H 8.847 . 1 830 73 73 ALA HA H 3.685 . 1 831 73 73 ALA HB H 1.371 . 1 832 73 73 ALA C C 178.583 . 1 833 73 73 ALA CA C 53.946 . 1 834 73 73 ALA CB C 17.746 . 1 835 73 73 ALA N N 123.049 . 1 836 74 74 GLY H H 8.773 . 1 837 74 74 GLY HA2 H 4.520 . 2 838 74 74 GLY HA3 H 3.809 . 2 839 74 74 GLY C C 174.963 . 1 840 74 74 GLY CA C 44.922 . 1 841 74 74 GLY N N 113.307 . 1 842 75 75 ASP H H 8.560 . 1 843 75 75 ASP HA H 4.720 . 1 844 75 75 ASP HB2 H 3.208 . 2 845 75 75 ASP HB3 H 2.479 . 2 846 75 75 ASP C C 175.718 . 1 847 75 75 ASP CA C 55.306 . 1 848 75 75 ASP CB C 43.117 . 1 849 75 75 ASP N N 122.163 . 1 850 76 76 THR H H 7.956 . 1 851 76 76 THR HA H 5.280 . 1 852 76 76 THR HB H 3.993 . 1 853 76 76 THR HG2 H 1.253 . 1 854 76 76 THR C C 173.541 . 1 855 76 76 THR CA C 59.046 . 1 856 76 76 THR CB C 73.625 . 1 857 76 76 THR CG2 C 22.725 . 1 858 76 76 THR N N 108.385 . 1 859 77 77 ILE H H 8.483 . 1 860 77 77 ILE HA H 4.380 . 1 861 77 77 ILE HB H 1.137 . 1 862 77 77 ILE HD1 H 0.773 . 1 863 77 77 ILE HG12 H 1.350 . 2 864 77 77 ILE HG13 H 0.897 . 2 865 77 77 ILE HG2 H 0.881 . 1 866 77 77 ILE C C 174.475 . 1 867 77 77 ILE CA C 61.856 . 1 868 77 77 ILE CB C 42.237 . 1 869 77 77 ILE CD1 C 14.664 . 1 870 77 77 ILE CG1 C 28.723 . 1 871 77 77 ILE CG2 C 18.986 . 1 872 77 77 ILE N N 116.638 . 1 873 78 78 VAL H H 7.028 . 1 874 78 78 VAL HA H 4.574 . 1 875 78 78 VAL HB H 1.939 . 1 876 78 78 VAL HG1 H 0.949 . 2 877 78 78 VAL HG2 H 0.949 . 2 878 78 78 VAL C C 173.821 . 1 879 78 78 VAL CA C 60.655 . 1 880 78 78 VAL CB C 35.740 . 1 881 78 78 VAL CG1 C 21.183 . 2 882 78 78 VAL CG2 C 21.183 . 2 883 78 78 VAL N N 123.767 . 1 884 79 79 CYS H H 8.414 . 1 885 79 79 CYS HA H 4.925 . 1 886 79 79 CYS HB2 H 2.447 . 2 887 79 79 CYS HB3 H 2.447 . 2 888 79 79 CYS C C 174.672 . 1 889 79 79 CYS CA C 55.966 . 1 890 79 79 CYS CB C 26.485 . 1 891 79 79 CYS N N 124.524 . 1 892 80 80 LEU H H 9.610 . 1 893 80 80 LEU HA H 4.328 . 1 894 80 80 LEU HB2 H 1.800 . 2 895 80 80 LEU HB3 H 1.702 . 2 896 80 80 LEU HD1 H 0.972 . 2 897 80 80 LEU HD2 H 0.912 . 2 898 80 80 LEU HG H 1.666 . 1 899 80 80 LEU CA C 59.308 . 1 900 80 80 LEU CB C 39.259 . 1 901 80 80 LEU CD1 C 24.648 . 2 902 80 80 LEU CD2 C 23.876 . 2 903 80 80 LEU CG C 27.048 . 1 904 80 80 LEU N N 129.147 . 1 905 81 81 PRO HA H 4.465 . 1 906 81 81 PRO HB2 H 2.518 . 2 907 81 81 PRO HB3 H 1.532 . 2 908 81 81 PRO HD2 H 3.957 . 2 909 81 81 PRO HD3 H 3.957 . 2 910 81 81 PRO HG2 H 2.102 . 2 911 81 81 PRO HG3 H 2.048 . 2 912 81 81 PRO C C 176.354 . 1 913 81 81 PRO CA C 66.463 . 1 914 81 81 PRO CB C 30.672 . 1 915 81 81 PRO CD C 51.601 . 1 916 81 81 PRO CG C 28.428 . 1 917 82 82 HIS H H 6.659 . 1 918 82 82 HIS HA H 5.049 . 1 919 82 82 HIS HB2 H 3.339 . 2 920 82 82 HIS HB3 H 2.701 . 2 921 82 82 HIS HD2 H 6.356 . 1 922 82 82 HIS HE1 H 8.099 . 1 923 82 82 HIS C C 173.581 . 1 924 82 82 HIS CA C 52.462 . 1 925 82 82 HIS CB C 29.997 . 1 926 82 82 HIS CD2 C 124.831 . 1 927 82 82 HIS CE1 C 139.543 . 1 928 82 82 HIS N N 111.473 . 1 929 83 83 LYS H H 8.435 . 1 930 83 83 LYS HA H 3.982 . 1 931 83 83 LYS HB2 H 2.301 . 2 932 83 83 LYS HB3 H 1.915 . 2 933 83 83 LYS HD2 H 1.808 . 2 934 83 83 LYS HD3 H 1.730 . 2 935 83 83 LYS HE2 H 3.053 . 2 936 83 83 LYS HE3 H 3.054 . 2 937 83 83 LYS HG2 H 1.495 . 2 938 83 83 LYS HG3 H 1.440 . 2 939 83 83 LYS C C 177.884 . 1 940 83 83 LYS CA C 56.950 . 1 941 83 83 LYS CB C 29.403 . 1 942 83 83 LYS CD C 29.124 . 1 943 83 83 LYS CE C 42.684 . 1 944 83 83 LYS CG C 25.117 . 1 945 83 83 LYS N N 116.990 . 1 946 84 84 VAL H H 7.720 . 1 947 84 84 VAL HA H 4.952 . 1 948 84 84 VAL HB H 1.536 . 1 949 84 84 VAL HG1 H 0.703 . 2 950 84 84 VAL HG2 H 0.964 . 2 951 84 84 VAL C C 174.077 . 1 952 84 84 VAL CA C 61.568 . 1 953 84 84 VAL CB C 35.191 . 1 954 84 84 VAL CG1 C 20.253 . 2 955 84 84 VAL CG2 C 22.660 . 2 956 84 84 VAL N N 118.592 . 1 957 85 85 PHE H H 8.851 . 1 958 85 85 PHE HA H 5.184 . 1 959 85 85 PHE HB2 H 2.967 . 2 960 85 85 PHE HB3 H 2.915 . 2 961 85 85 PHE HD1 H 7.230 . 2 962 85 85 PHE HD2 H 7.230 . 2 963 85 85 PHE HE1 H 7.223 . 2 964 85 85 PHE HE2 H 7.223 . 2 965 85 85 PHE HZ H 7.263 . 1 966 85 85 PHE C C 172.976 . 1 967 85 85 PHE CA C 56.215 . 1 968 85 85 PHE CB C 43.499 . 1 969 85 85 PHE CD1 C 131.922 . 2 970 85 85 PHE CD2 C 131.922 . 2 971 85 85 PHE CE1 C 131.237 . 2 972 85 85 PHE CE2 C 131.237 . 2 973 85 85 PHE CZ C 129.740 . 1 974 85 85 PHE N N 129.548 . 1 975 86 86 VAL H H 8.890 . 1 976 86 86 VAL HA H 4.883 . 1 977 86 86 VAL HB H 1.834 . 1 978 86 86 VAL HG1 H 0.617 . 2 979 86 86 VAL HG2 H 0.679 . 2 980 86 86 VAL C C 173.683 . 1 981 86 86 VAL CA C 60.132 . 1 982 86 86 VAL CB C 33.888 . 1 983 86 86 VAL CG1 C 20.486 . 2 984 86 86 VAL CG2 C 20.698 . 2 985 86 86 VAL N N 125.549 . 1 986 87 87 GLU H H 8.687 . 1 987 87 87 GLU HA H 4.760 . 1 988 87 87 GLU HB2 H 1.928 . 2 989 87 87 GLU HB3 H 1.850 . 2 990 87 87 GLU HG2 H 2.064 . 2 991 87 87 GLU HG3 H 1.948 . 2 992 87 87 GLU C C 174.310 . 1 993 87 87 GLU CA C 54.245 . 1 994 87 87 GLU CB C 33.516 . 1 995 87 87 GLU CG C 36.390 . 1 996 87 87 GLU N N 125.169 . 1 997 88 88 ILE H H 8.406 . 1 998 88 88 ILE HA H 5.035 . 1 999 88 88 ILE HB H 2.054 . 1 1000 88 88 ILE HD1 H 0.583 . 1 1001 88 88 ILE HG12 H 1.247 . 2 1002 88 88 ILE HG13 H 0.732 . 2 1003 88 88 ILE HG2 H 0.431 . 1 1004 88 88 ILE C C 176.029 . 1 1005 88 88 ILE CA C 60.133 . 1 1006 88 88 ILE CB C 36.074 . 1 1007 88 88 ILE CD1 C 13.376 . 1 1008 88 88 ILE CG1 C 28.239 . 1 1009 88 88 ILE CG2 C 18.743 . 1 1010 88 88 ILE N N 125.218 . 1 1011 89 89 LYS H H 9.162 . 1 1012 89 89 LYS HA H 4.933 . 1 1013 89 89 LYS HB2 H 1.859 . 2 1014 89 89 LYS HB3 H 1.580 . 2 1015 89 89 LYS HD2 H 1.598 . 2 1016 89 89 LYS HD3 H 1.598 . 2 1017 89 89 LYS HE2 H 2.868 . 2 1018 89 89 LYS HE3 H 2.868 . 2 1019 89 89 LYS HG2 H 1.345 . 2 1020 89 89 LYS HG3 H 1.294 . 2 1021 89 89 LYS C C 175.130 . 1 1022 89 89 LYS CA C 54.502 . 1 1023 89 89 LYS CB C 36.775 . 1 1024 89 89 LYS CD C 29.295 . 1 1025 89 89 LYS CE C 41.959 . 1 1026 89 89 LYS CG C 24.626 . 1 1027 89 89 LYS N N 128.650 . 1 1028 90 90 SER H H 8.801 . 1 1029 90 90 SER HA H 5.080 . 1 1030 90 90 SER HB2 H 3.952 . 2 1031 90 90 SER HB3 H 3.822 . 2 1032 90 90 SER C C 175.948 . 1 1033 90 90 SER CA C 58.039 . 1 1034 90 90 SER CB C 63.667 . 1 1035 90 90 SER N N 116.336 . 1 1036 91 91 THR H H 8.562 . 1 1037 91 91 THR HA H 4.299 . 1 1038 91 91 THR HB H 4.258 . 1 1039 91 91 THR HG2 H 1.123 . 1 1040 91 91 THR C C 174.603 . 1 1041 91 91 THR CA C 62.143 . 1 1042 91 91 THR CB C 69.431 . 1 1043 91 91 THR CG2 C 22.102 . 1 1044 91 91 THR N N 117.740 . 1 1045 92 92 GLN H H 8.423 . 1 1046 92 92 GLN HA H 4.371 . 1 1047 92 92 GLN HB2 H 2.088 . 2 1048 92 92 GLN HB3 H 1.987 . 2 1049 92 92 GLN HE21 H 7.610 . 2 1050 92 92 GLN HE22 H 6.860 . 2 1051 92 92 GLN HG2 H 2.362 . 2 1052 92 92 GLN HG3 H 2.362 . 2 1053 92 92 GLN C C 175.894 . 1 1054 92 92 GLN CA C 55.830 . 1 1055 92 92 GLN CB C 29.645 . 1 1056 92 92 GLN CG C 33.905 . 1 1057 92 92 GLN N N 122.268 . 1 1058 92 92 GLN NE2 N 112.702 . 1 1059 93 93 LYS H H 8.463 . 1 1060 93 93 LYS HA H 4.314 . 1 1061 93 93 LYS HB2 H 1.736 . 2 1062 93 93 LYS HB3 H 1.822 . 2 1063 93 93 LYS HD2 H 1.678 . 2 1064 93 93 LYS HD3 H 1.678 . 2 1065 93 93 LYS HE2 H 3.000 . 2 1066 93 93 LYS HE3 H 3.000 . 2 1067 93 93 LYS HG2 H 1.416 . 2 1068 93 93 LYS HG3 H 1.416 . 2 1069 93 93 LYS C C 176.313 . 1 1070 93 93 LYS CA C 56.432 . 1 1071 93 93 LYS CB C 33.247 . 1 1072 93 93 LYS CD C 29.106 . 1 1073 93 93 LYS CE C 42.640 . 1 1074 93 93 LYS CG C 24.644 . 1 1075 93 93 LYS N N 123.651 . 1 1076 94 94 ASP H H 8.478 . 1 1077 94 94 ASP HA H 4.625 . 1 1078 94 94 ASP HB2 H 2.714 . 2 1079 94 94 ASP HB3 H 2.613 . 2 1080 94 94 ASP C C 176.231 . 1 1081 94 94 ASP CA C 54.258 . 1 1082 94 94 ASP CB C 41.312 . 1 1083 94 94 ASP N N 121.925 . 1 1084 95 95 SER H H 8.267 . 1 1085 95 95 SER HA H 4.413 . 1 1086 95 95 SER HB2 H 3.852 . 2 1087 95 95 SER HB3 H 3.852 . 2 1088 95 95 SER C C 174.346 . 1 1089 95 95 SER CA C 58.431 . 1 1090 95 95 SER CB C 63.901 . 1 1091 95 95 SER N N 116.507 . 1 1092 96 96 LYS H H 8.350 . 1 1093 96 96 LYS HA H 4.335 . 1 1094 96 96 LYS HB2 H 1.797 . 2 1095 96 96 LYS HB3 H 1.747 . 2 1096 96 96 LYS HD2 H 1.674 . 2 1097 96 96 LYS HD3 H 1.674 . 2 1098 96 96 LYS HE2 H 2.989 . 2 1099 96 96 LYS HE3 H 2.989 . 2 1100 96 96 LYS HG2 H 1.411 . 2 1101 96 96 LYS HG3 H 1.411 . 2 1102 96 96 LYS C C 176.115 . 1 1103 96 96 LYS CA C 55.990 . 1 1104 96 96 LYS CB C 33.119 . 1 1105 96 96 LYS CD C 29.069 . 1 1106 96 96 LYS CE C 42.262 . 1 1107 96 96 LYS CG C 24.586 . 1 1108 96 96 LYS N N 122.992 . 1 1109 97 97 ASP H H 8.405 . 1 1110 97 97 ASP HA H 4.842 . 1 1111 97 97 ASP HB2 H 2.762 . 2 1112 97 97 ASP HB3 H 2.512 . 2 1113 97 97 ASP CA C 52.598 . 1 1114 97 97 ASP CB C 40.905 . 1 1115 97 97 ASP N N 123.585 . 1 1116 98 98 PRO HA H 4.413 . 1 1117 98 98 PRO HB2 H 2.284 . 2 1118 98 98 PRO HB3 H 1.954 . 2 1119 98 98 PRO HD2 H 3.760 . 2 1120 98 98 PRO HD3 H 3.857 . 2 1121 98 98 PRO HG2 H 2.013 . 2 1122 98 98 PRO HG3 H 2.013 . 2 1123 98 98 PRO C C 176.929 . 1 1124 98 98 PRO CA C 63.547 . 1 1125 98 98 PRO CB C 32.197 . 1 1126 98 98 PRO CD C 50.828 . 1 1127 98 98 PRO CG C 27.281 . 1 1128 99 99 ASP H H 8.464 . 1 1129 99 99 ASP HA H 4.630 . 1 1130 99 99 ASP HB2 H 2.744 . 2 1131 99 99 ASP HB3 H 2.633 . 2 1132 99 99 ASP C C 176.820 . 1 1133 99 99 ASP CA C 54.822 . 1 1134 99 99 ASP CB C 40.990 . 1 1135 99 99 ASP N N 119.955 . 1 1136 100 100 THR H H 7.973 . 1 1137 100 100 THR HA H 4.264 . 1 1138 100 100 THR HB H 4.326 . 1 1139 100 100 THR HG2 H 1.204 . 1 1140 100 100 THR C C 174.443 . 1 1141 100 100 THR CA C 62.329 . 1 1142 100 100 THR CB C 69.838 . 1 1143 100 100 THR CG2 C 21.632 . 1 1144 100 100 THR N N 113.655 . 1 1145 101 101 ASP H H 8.328 . 1 1146 101 101 ASP HA H 4.605 . 1 1147 101 101 ASP HB2 H 2.693 . 2 1148 101 101 ASP HB3 H 2.601 . 2 1149 101 101 ASP C C 175.922 . 1 1150 101 101 ASP CA C 54.738 . 1 1151 101 101 ASP CB C 41.051 . 1 1152 101 101 ASP N N 122.434 . 1 1153 102 102 LEU H H 7.995 . 1 1154 102 102 LEU HA H 4.304 . 1 1155 102 102 LEU HB2 H 1.580 . 2 1156 102 102 LEU HB3 H 1.580 . 2 1157 102 102 LEU HD1 H 0.907 . 2 1158 102 102 LEU HD2 H 0.841 . 2 1159 102 102 LEU HG H 1.567 . 1 1160 102 102 LEU C C 177.022 . 1 1161 102 102 LEU CA C 55.258 . 1 1162 102 102 LEU CB C 42.377 . 1 1163 102 102 LEU CD1 C 24.929 . 2 1164 102 102 LEU CD2 C 23.618 . 2 1165 102 102 LEU CG C 26.955 . 1 1166 102 102 LEU N N 121.653 . 1 1167 103 103 ILE H H 8.112 . 1 1168 103 103 ILE HA H 4.136 . 1 1169 103 103 ILE HB H 1.832 . 1 1170 103 103 ILE HD1 H 0.831 . 1 1171 103 103 ILE HG12 H 1.469 . 2 1172 103 103 ILE HG13 H 1.163 . 2 1173 103 103 ILE HG2 H 0.831 . 1 1174 103 103 ILE C C 174.974 . 1 1175 103 103 ILE CA C 61.024 . 1 1176 103 103 ILE CB C 38.342 . 1 1177 103 103 ILE CD1 C 12.570 . 1 1178 103 103 ILE CG1 C 27.354 . 1 1179 103 103 ILE CG2 C 17.473 . 1 1180 103 103 ILE N N 122.635 . 1 1181 104 104 VAL H H 7.992 . 1 1182 104 104 VAL HA H 4.270 . 1 1183 104 104 VAL HB H 1.967 . 1 1184 104 104 VAL HG1 H 0.885 . 2 1185 104 104 VAL HG2 H 0.911 . 2 1186 104 104 VAL CA C 59.052 . 1 1187 104 104 VAL CB C 34.548 . 1 1188 104 104 VAL CG1 C 20.957 . 2 1189 104 104 VAL CG2 C 20.428 . 2 1190 104 104 VAL N N 123.790 . 1 1191 105 105 PRO HA H 4.367 . 1 1192 105 105 PRO HB2 H 2.255 . 2 1193 105 105 PRO HB3 H 1.843 . 2 1194 105 105 PRO HD2 H 3.700 . 2 1195 105 105 PRO HD3 H 3.857 . 2 1196 105 105 PRO HG2 H 1.978 . 2 1197 105 105 PRO HG3 H 1.978 . 2 1198 105 105 PRO C C 176.475 . 1 1199 105 105 PRO CA C 63.346 . 1 1200 105 105 PRO CB C 32.197 . 1 1201 105 105 PRO CD C 51.051 . 1 1202 105 105 PRO CG C 27.341 . 1 1203 106 106 ASN H H 8.472 . 1 1204 106 106 ASN HA H 4.641 . 1 1205 106 106 ASN HB2 H 2.801 . 2 1206 106 106 ASN HB3 H 2.767 . 2 1207 106 106 ASN HD21 H 7.616 . 2 1208 106 106 ASN HD22 H 6.946 . 2 1209 106 106 ASN C C 175.300 . 1 1210 106 106 ASN CA C 53.296 . 1 1211 106 106 ASN CB C 38.659 . 1 1212 106 106 ASN N N 118.499 . 1 1213 106 106 ASN ND2 N 112.852 . 1 1214 107 107 LEU H H 8.258 . 1 1215 107 107 LEU HA H 4.284 . 1 1216 107 107 LEU HB2 H 1.557 . 2 1217 107 107 LEU HB3 H 1.557 . 2 1218 107 107 LEU HD1 H 0.889 . 2 1219 107 107 LEU HD2 H 0.823 . 2 1220 107 107 LEU HG H 1.571 . 1 1221 107 107 LEU C C 177.430 . 1 1222 107 107 LEU CA C 55.279 . 1 1223 107 107 LEU CB C 42.345 . 1 1224 107 107 LEU CD1 C 24.961 . 2 1225 107 107 LEU CD2 C 23.392 . 2 1226 107 107 LEU CG C 26.966 . 1 1227 107 107 LEU N N 122.932 . 1 1228 108 108 GLU H H 8.321 . 1 1229 108 108 GLU HA H 4.152 . 1 1230 108 108 GLU HB2 H 1.879 . 2 1231 108 108 GLU HB3 H 1.879 . 2 1232 108 108 GLU HG2 H 2.201 . 2 1233 108 108 GLU HG3 H 2.124 . 2 1234 108 108 GLU C C 176.394 . 1 1235 108 108 GLU CA C 56.797 . 1 1236 108 108 GLU CB C 30.076 . 1 1237 108 108 GLU CG C 36.249 . 1 1238 108 108 GLU N N 120.766 . 1 1239 109 109 HIS H H 8.230 . 1 1240 109 109 HIS HA H 4.569 . 1 1241 109 109 HIS HB2 H 3.051 . 2 1242 109 109 HIS HB3 H 3.051 . 2 1243 109 109 HIS CA C 56.018 . 1 1244 109 109 HIS CB C 30.094 . 1 1245 109 109 HIS N N 119.324 . 1 1246 110 110 HIS H H 8.133 . 1 1247 110 110 HIS HA H 4.424 . 1 1248 110 110 HIS HB2 H 3.194 . 2 1249 110 110 HIS HB3 H 3.067 . 2 1250 110 110 HIS CA C 57.293 . 1 1251 110 110 HIS CB C 30.284 . 1 1252 110 110 HIS N N 125.416 . 1 stop_ save_