data_11507 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of IseA, an inhibitor protein of DL-endopeptidases from Bacillus subtilis ; _BMRB_accession_number 11507 _BMRB_flat_file_name bmr11507.str _Entry_type original _Submission_date 2012-08-09 _Accession_date 2012-08-09 _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 Arai Ryoichi . . 2 Li Hua . . 3 Tochio Naoya . . 4 Fukui Sadaharu . . 5 Kobayashi Naoya . . 6 Kitaura Chikashi . . 7 Watanabe Satoru . . 8 Kigawa Takanori . . 9 Sekiguchi Junichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 962 "13C chemical shifts" 716 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-16 update author 'add bond loop, etc.' 2012-10-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of IseA, an inhibitor protein of DL-endopeptidases from Bacillus subtilis, reveals a novel fold with a characteristic inhibitory loop' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23091053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arai Ryoichi . . 2 Fukui Sadaharu . . 3 Kobayashi Naoya . . 4 Sekiguchi Junichi . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _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 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'an inhibitor protein of DL-endopeptidases' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'an inhibitor protein of DL-endopeptidases' $IseA 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_IseA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IseA _Molecular_mass 17728.545 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GKNTSGDLSQKQALQLALSA REHFWNTMSGHNPKVKKAVC PSGTFEYQNLQYVYMCSDLG TKAKAVNYLTPIFTKTAIEK GFKDYHFTVSKGKLAVPIGD GDNLLNWKKSTAKLISKKGS TITYEFTVPTLDGSPSAKRK VTFVKENKKWKVNQFDAVI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 LYS 3 3 ASN 4 4 THR 5 5 SER 6 6 GLY 7 7 ASP 8 8 LEU 9 9 SER 10 10 GLN 11 11 LYS 12 12 GLN 13 13 ALA 14 14 LEU 15 15 GLN 16 16 LEU 17 17 ALA 18 18 LEU 19 19 SER 20 20 ALA 21 21 ARG 22 22 GLU 23 23 HIS 24 24 PHE 25 25 TRP 26 26 ASN 27 27 THR 28 28 MET 29 29 SER 30 30 GLY 31 31 HIS 32 32 ASN 33 33 PRO 34 34 LYS 35 35 VAL 36 36 LYS 37 37 LYS 38 38 ALA 39 39 VAL 40 40 CYS 41 41 PRO 42 42 SER 43 43 GLY 44 44 THR 45 45 PHE 46 46 GLU 47 47 TYR 48 48 GLN 49 49 ASN 50 50 LEU 51 51 GLN 52 52 TYR 53 53 VAL 54 54 TYR 55 55 MET 56 56 CYS 57 57 SER 58 58 ASP 59 59 LEU 60 60 GLY 61 61 THR 62 62 LYS 63 63 ALA 64 64 LYS 65 65 ALA 66 66 VAL 67 67 ASN 68 68 TYR 69 69 LEU 70 70 THR 71 71 PRO 72 72 ILE 73 73 PHE 74 74 THR 75 75 LYS 76 76 THR 77 77 ALA 78 78 ILE 79 79 GLU 80 80 LYS 81 81 GLY 82 82 PHE 83 83 LYS 84 84 ASP 85 85 TYR 86 86 HIS 87 87 PHE 88 88 THR 89 89 VAL 90 90 SER 91 91 LYS 92 92 GLY 93 93 LYS 94 94 LEU 95 95 ALA 96 96 VAL 97 97 PRO 98 98 ILE 99 99 GLY 100 100 ASP 101 101 GLY 102 102 ASP 103 103 ASN 104 104 LEU 105 105 LEU 106 106 ASN 107 107 TRP 108 108 LYS 109 109 LYS 110 110 SER 111 111 THR 112 112 ALA 113 113 LYS 114 114 LEU 115 115 ILE 116 116 SER 117 117 LYS 118 118 LYS 119 119 GLY 120 120 SER 121 121 THR 122 122 ILE 123 123 THR 124 124 TYR 125 125 GLU 126 126 PHE 127 127 THR 128 128 VAL 129 129 PRO 130 130 THR 131 131 LEU 132 132 ASP 133 133 GLY 134 134 SER 135 135 PRO 136 136 SER 137 137 ALA 138 138 LYS 139 139 ARG 140 140 LYS 141 141 VAL 142 142 THR 143 143 PHE 144 144 VAL 145 145 LYS 146 146 GLU 147 147 ASN 148 148 LYS 149 149 LYS 150 150 TRP 151 151 LYS 152 152 VAL 153 153 ASN 154 154 GLN 155 155 PHE 156 156 ASP 157 157 ALA 158 158 VAL 159 159 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2RSX "Solution Structure Of Isea, An Inhibitor Protein Of Dl-endopeptidases From Bacillus Subtilis" 100.00 159 100.00 100.00 2.87e-112 DBJ BAI85525 "hypothetical protein BSNT_08426 [Bacillus subtilis subsp. natto BEST195]" 100.00 181 98.11 98.74 1.12e-110 DBJ BAM52492 "inhibitor of cell-separation enzymes [Synechocystis sp. PCC 6803]" 100.00 181 99.37 99.37 1.01e-111 DBJ BAM58068 "inhibitor of cell-separation enzymes [Bacillus subtilis BEST7003]" 100.00 181 99.37 99.37 1.01e-111 DBJ GAK81498 "inhibitor of cell-separation enzymes [Bacillus subtilis Miyagi-4]" 100.00 181 98.11 98.74 1.12e-110 EMBL CAB13721 "inhibitor of cell-separation enzymes [Bacillus subtilis subsp. subtilis str. 168]" 100.00 181 99.37 99.37 1.01e-111 EMBL CCU58457 "YoeB [Bacillus subtilis E1]" 100.00 181 99.37 99.37 1.01e-111 EMBL CEI57032 "hypothetical protein BS49_20360 [Bacillus subtilis]" 100.00 181 99.37 99.37 1.01e-111 EMBL CEJ77457 "hypothetical protein BS34A_20360 [Bacillus sp.]" 100.00 181 99.37 99.37 1.01e-111 EMBL CJT21338 "Uncharacterised protein [Streptococcus pneumoniae]" 100.00 181 98.11 98.74 1.12e-110 GB ADV92744 "inhibitor of cell-separation enzymes [Bacillus subtilis BSn5]" 100.00 181 98.74 98.74 6.18e-111 GB AEP91018 "cell wall protein YoeB [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 181 99.37 99.37 1.01e-111 GB AFI28543 "inhibitor of cell-separation enzymes [Bacillus sp. JS]" 100.00 181 98.74 99.37 3.47e-111 GB AFQ57773 "Inhibitor of cell-separation enzymes [Bacillus subtilis QB928]" 100.00 181 99.37 99.37 1.01e-111 GB AGA23038 "Hypothetical protein YoeB [Bacillus subtilis subsp. subtilis str. BSP1]" 100.00 181 99.37 99.37 1.01e-111 REF NP_389720 "hypothetical protein BSU18380 [Bacillus subtilis subsp. subtilis str. 168]" 100.00 181 99.37 99.37 1.01e-111 REF WP_004399558 "MULTISPECIES: hypothetical protein [Bacillus]" 100.00 181 99.37 99.37 1.01e-111 REF WP_014479968 "hypothetical protein [Bacillus subtilis]" 100.00 181 98.11 98.74 1.12e-110 REF WP_014664171 "MULTISPECIES: hypothetical protein [Bacillus]" 100.00 181 98.74 99.37 3.47e-111 REF WP_015714038 "hypothetical protein [Bacillus subtilis]" 100.00 181 98.74 98.74 6.18e-111 SP O34841 "RecName: Full=Uncharacterized protein YoeB; Flags: Precursor" 100.00 181 99.37 99.37 1.01e-111 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 $IseA 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 168 'iseA (yoeB)' 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 $IseA 'cell free synthesis' 'E. coli' Escherichia coli . pCR2.1 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 $IseA 1.12 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 300 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'With a triple resonance cryoprobe.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'With a triple resonance 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_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CCO)NH' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HC(C)H-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _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' 0.3 . M pH 7.0 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CA)CO' '3D HNCACB' 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 'an inhibitor protein of DL-endopeptidases' _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 3 3 ASN HB2 H 2.862 . 1 2 3 3 ASN HB3 H 2.862 . 1 3 3 3 ASN HD21 H 7.673 . 1 4 3 3 ASN HD22 H 7.012 . 1 5 3 3 ASN ND2 N 113.394 . 1 6 6 6 GLY HA2 H 4.011 . 1 7 6 6 GLY HA3 H 4.155 . 1 8 6 6 GLY C C 173.998 . 1 9 6 6 GLY CA C 45.539 . 1 10 7 7 ASP H H 8.188 . 1 11 7 7 ASP HA H 4.764 . 1 12 7 7 ASP HB2 H 2.583 . 1 13 7 7 ASP C C 174.479 . 1 14 7 7 ASP CA C 53.986 . 1 15 7 7 ASP CB C 42.205 . 1 16 7 7 ASP N N 120.969 . 1 17 8 8 LEU H H 7.048 . 1 18 8 8 LEU HA H 4.228 . 1 19 8 8 LEU HB2 H 0.944 . 1 20 8 8 LEU HB3 H -0.333 . 1 21 8 8 LEU HG H 0.639 . 1 22 8 8 LEU HD1 H -0.402 . 1 23 8 8 LEU HD2 H -0.031 . 1 24 8 8 LEU C C 175.816 . 1 25 8 8 LEU CA C 54.044 . 1 26 8 8 LEU CB C 42.808 . 1 27 8 8 LEU CG C 25.678 . 1 28 8 8 LEU CD1 C 25.343 . 1 29 8 8 LEU CD2 C 23.962 . 1 30 8 8 LEU N N 121.336 . 1 31 9 9 SER H H 8.798 . 1 32 9 9 SER HA H 4.470 . 1 33 9 9 SER HB2 H 3.962 . 1 34 9 9 SER HB3 H 4.402 . 1 35 9 9 SER C C 173.827 . 1 36 9 9 SER CA C 57.321 . 1 37 9 9 SER CB C 65.554 . 1 38 9 9 SER N N 125.756 . 1 39 10 10 GLN H H 8.926 . 1 40 10 10 GLN HA H 3.403 . 1 41 10 10 GLN HB2 H 2.131 . 1 42 10 10 GLN HB3 H 2.131 . 1 43 10 10 GLN HG2 H 2.366 . 1 44 10 10 GLN HG3 H 2.476 . 1 45 10 10 GLN HE21 H 7.014 . 1 46 10 10 GLN HE22 H 7.688 . 1 47 10 10 GLN C C 177.917 . 1 48 10 10 GLN CA C 59.909 . 1 49 10 10 GLN CB C 28.602 . 1 50 10 10 GLN CG C 34.538 . 1 51 10 10 GLN N N 120.562 . 1 52 10 10 GLN NE2 N 112.220 . 1 53 11 11 LYS H H 8.142 . 1 54 11 11 LYS HA H 3.995 . 1 55 11 11 LYS HB2 H 1.724 . 1 56 11 11 LYS HB3 H 1.843 . 1 57 11 11 LYS HG2 H 1.393 . 1 58 11 11 LYS HG3 H 1.541 . 1 59 11 11 LYS HD2 H 1.720 . 1 60 11 11 LYS HD3 H 1.720 . 1 61 11 11 LYS HE2 H 3.018 . 1 62 11 11 LYS HE3 H 3.018 . 1 63 11 11 LYS C C 179.432 . 1 64 11 11 LYS CA C 59.376 . 1 65 11 11 LYS CB C 32.740 . 1 66 11 11 LYS CG C 25.159 . 1 67 11 11 LYS CD C 29.211 . 1 68 11 11 LYS CE C 42.013 . 1 69 11 11 LYS N N 118.486 . 1 70 12 12 GLN H H 7.557 . 1 71 12 12 GLN HA H 3.957 . 1 72 12 12 GLN HB2 H 1.988 . 1 73 12 12 GLN HB3 H 1.785 . 1 74 12 12 GLN HG2 H 2.340 . 1 75 12 12 GLN HG3 H 2.340 . 1 76 12 12 GLN HE21 H 6.893 . 1 77 12 12 GLN HE22 H 7.457 . 1 78 12 12 GLN C C 178.355 . 1 79 12 12 GLN CA C 58.222 . 1 80 12 12 GLN CB C 28.848 . 1 81 12 12 GLN CG C 34.369 . 1 82 12 12 GLN N N 119.183 . 1 83 12 12 GLN NE2 N 111.407 . 1 84 13 13 ALA H H 8.436 . 1 85 13 13 ALA HA H 3.277 . 1 86 13 13 ALA HB H 0.466 . 1 87 13 13 ALA C C 179.124 . 1 88 13 13 ALA CA C 54.883 . 1 89 13 13 ALA CB C 17.079 . 1 90 13 13 ALA N N 122.629 . 1 91 14 14 LEU H H 7.687 . 1 92 14 14 LEU HA H 4.283 . 1 93 14 14 LEU HB2 H 1.979 . 1 94 14 14 LEU HB3 H 1.639 . 1 95 14 14 LEU HG H 1.664 . 1 96 14 14 LEU HD1 H 1.060 . 1 97 14 14 LEU HD2 H 1.128 . 1 98 14 14 LEU C C 177.882 . 1 99 14 14 LEU CA C 58.309 . 1 100 14 14 LEU CB C 41.428 . 1 101 14 14 LEU CG C 27.628 . 1 102 14 14 LEU CD1 C 25.793 . 1 103 14 14 LEU CD2 C 23.501 . 1 104 14 14 LEU N N 117.488 . 1 105 15 15 GLN H H 7.667 . 1 106 15 15 GLN HA H 3.933 . 1 107 15 15 GLN HB2 H 2.152 . 1 108 15 15 GLN HB3 H 2.152 . 1 109 15 15 GLN HG2 H 2.433 . 1 110 15 15 GLN HG3 H 2.541 . 1 111 15 15 GLN HE21 H 6.888 . 1 112 15 15 GLN HE22 H 7.509 . 1 113 15 15 GLN C C 179.578 . 1 114 15 15 GLN CA C 59.341 . 1 115 15 15 GLN CB C 28.109 . 1 116 15 15 GLN CG C 33.949 . 1 117 15 15 GLN N N 117.078 . 1 118 15 15 GLN NE2 N 112.212 . 1 119 16 16 LEU H H 8.328 . 1 120 16 16 LEU HA H 4.137 . 1 121 16 16 LEU HB2 H 1.841 . 1 122 16 16 LEU HB3 H 1.500 . 1 123 16 16 LEU HG H 1.710 . 1 124 16 16 LEU HD1 H 0.835 . 1 125 16 16 LEU HD2 H 0.897 . 1 126 16 16 LEU C C 178.714 . 1 127 16 16 LEU CA C 57.703 . 1 128 16 16 LEU CB C 42.487 . 1 129 16 16 LEU CG C 27.277 . 1 130 16 16 LEU CD1 C 25.745 . 1 131 16 16 LEU CD2 C 24.416 . 1 132 16 16 LEU N N 120.874 . 1 133 17 17 ALA H H 8.685 . 1 134 17 17 ALA HA H 3.770 . 1 135 17 17 ALA HB H 1.187 . 1 136 17 17 ALA C C 178.991 . 1 137 17 17 ALA CA C 55.694 . 1 138 17 17 ALA CB C 17.417 . 1 139 17 17 ALA N N 122.856 . 1 140 18 18 LEU H H 8.476 . 1 141 18 18 LEU HA H 3.821 . 1 142 18 18 LEU HB2 H 1.969 . 1 143 18 18 LEU HB3 H 1.503 . 1 144 18 18 LEU HG H 1.976 . 1 145 18 18 LEU HD1 H 0.957 . 1 146 18 18 LEU HD2 H 0.790 . 1 147 18 18 LEU C C 180.626 . 1 148 18 18 LEU CA C 57.920 . 1 149 18 18 LEU CB C 40.429 . 1 150 18 18 LEU CG C 26.732 . 1 151 18 18 LEU CD1 C 25.912 . 1 152 18 18 LEU CD2 C 22.857 . 1 153 18 18 LEU N N 116.252 . 1 154 19 19 SER H H 7.964 . 1 155 19 19 SER HA H 4.528 . 1 156 19 19 SER HB2 H 4.104 . 1 157 19 19 SER HB3 H 3.985 . 1 158 19 19 SER C C 179.093 . 1 159 19 19 SER CA C 61.062 . 1 160 19 19 SER CB C 63.414 . 1 161 19 19 SER N N 115.924 . 1 162 20 20 ALA H H 9.020 . 1 163 20 20 ALA HA H 3.777 . 1 164 20 20 ALA HB H 1.396 . 1 165 20 20 ALA C C 178.120 . 1 166 20 20 ALA CA C 56.152 . 1 167 20 20 ALA CB C 17.356 . 1 168 20 20 ALA N N 130.161 . 1 169 21 21 ARG H H 8.176 . 1 170 21 21 ARG HA H 4.207 . 1 171 21 21 ARG HB2 H 1.400 . 1 172 21 21 ARG HB3 H 1.742 . 1 173 21 21 ARG HG2 H 1.635 . 1 174 21 21 ARG HG3 H 1.761 . 1 175 21 21 ARG HD2 H 2.653 . 1 176 21 21 ARG HD3 H 2.954 . 1 177 21 21 ARG C C 178.342 . 1 178 21 21 ARG CA C 59.582 . 1 179 21 21 ARG CB C 29.711 . 1 180 21 21 ARG CG C 28.586 . 1 181 21 21 ARG CD C 43.415 . 1 182 21 21 ARG N N 119.485 . 1 183 22 22 GLU H H 7.880 . 1 184 22 22 GLU HA H 4.280 . 1 185 22 22 GLU HB2 H 2.326 . 1 186 22 22 GLU HB3 H 2.326 . 1 187 22 22 GLU HG2 H 2.434 . 1 188 22 22 GLU HG3 H 2.171 . 1 189 22 22 GLU C C 178.802 . 1 190 22 22 GLU CA C 59.183 . 1 191 22 22 GLU CB C 30.384 . 1 192 22 22 GLU CG C 36.234 . 1 193 22 22 GLU N N 117.807 . 1 194 23 23 HIS H H 8.564 . 1 195 23 23 HIS HA H 4.638 . 1 196 23 23 HIS HB2 H 3.112 . 1 197 23 23 HIS HB3 H 3.356 . 1 198 23 23 HIS HD2 H 5.705 . 1 199 23 23 HIS HE1 H 8.145 . 1 200 23 23 HIS C C 178.387 . 1 201 23 23 HIS CA C 60.430 . 1 202 23 23 HIS CB C 28.807 . 1 203 23 23 HIS CD2 C 124.012 . 1 204 23 23 HIS CE1 C 137.639 . 1 205 23 23 HIS N N 115.279 . 1 206 24 24 PHE H H 9.415 . 1 207 24 24 PHE HA H 3.811 . 1 208 24 24 PHE HB2 H 3.043 . 1 209 24 24 PHE HB3 H 2.792 . 1 210 24 24 PHE HD1 H 5.107 . 1 211 24 24 PHE HD2 H 5.107 . 1 212 24 24 PHE HE1 H 5.513 . 1 213 24 24 PHE HE2 H 5.513 . 1 214 24 24 PHE HZ H 6.345 . 1 215 24 24 PHE C C 176.555 . 1 216 24 24 PHE CA C 62.512 . 1 217 24 24 PHE CB C 38.342 . 1 218 24 24 PHE CD1 C 131.516 . 1 219 24 24 PHE CD2 C 131.516 . 1 220 24 24 PHE CE1 C 130.422 . 1 221 24 24 PHE CE2 C 130.422 . 1 222 24 24 PHE CZ C 129.055 . 1 223 24 24 PHE N N 124.481 . 1 224 25 25 TRP H H 8.757 . 1 225 25 25 TRP HA H 4.183 . 1 226 25 25 TRP HB2 H 3.304 . 1 227 25 25 TRP HB3 H 3.461 . 1 228 25 25 TRP HD1 H 7.534 . 1 229 25 25 TRP HE1 H 11.651 . 1 230 25 25 TRP HE3 H 7.691 . 1 231 25 25 TRP HZ2 H 7.598 . 1 232 25 25 TRP HZ3 H 7.170 . 1 233 25 25 TRP HH2 H 7.224 . 1 234 25 25 TRP C C 180.359 . 1 235 25 25 TRP CA C 60.974 . 1 236 25 25 TRP CB C 28.714 . 1 237 25 25 TRP CD1 C 127.696 . 1 238 25 25 TRP CE3 C 120.969 . 1 239 25 25 TRP CZ2 C 115.080 . 1 240 25 25 TRP CZ3 C 121.859 . 1 241 25 25 TRP CH2 C 124.475 . 1 242 25 25 TRP N N 119.079 . 1 243 25 25 TRP NE1 N 130.875 . 1 244 26 26 ASN H H 8.915 . 1 245 26 26 ASN HA H 4.623 . 1 246 26 26 ASN HB2 H 3.221 . 1 247 26 26 ASN HB3 H 2.838 . 1 248 26 26 ASN HD21 H 7.129 . 1 249 26 26 ASN HD22 H 6.883 . 1 250 26 26 ASN C C 176.837 . 1 251 26 26 ASN CA C 55.742 . 1 252 26 26 ASN CB C 37.331 . 1 253 26 26 ASN N N 119.973 . 1 254 26 26 ASN ND2 N 109.407 . 1 255 27 27 THR H H 7.848 . 1 256 27 27 THR HA H 3.838 . 1 257 27 27 THR HB H 4.461 . 1 258 27 27 THR HG2 H 1.374 . 1 259 27 27 THR C C 176.794 . 1 260 27 27 THR CA C 68.332 . 1 261 27 27 THR CB C 67.673 . 1 262 27 27 THR CG2 C 21.844 . 1 263 27 27 THR N N 117.248 . 1 264 28 28 MET H H 8.096 . 1 265 28 28 MET HA H 4.379 . 1 266 28 28 MET HB2 H 1.883 . 1 267 28 28 MET HB3 H 1.695 . 1 268 28 28 MET HG2 H 1.257 . 1 269 28 28 MET HG3 H 1.409 . 1 270 28 28 MET HE H 1.705 . 1 271 28 28 MET C C 178.480 . 1 272 28 28 MET CA C 55.882 . 1 273 28 28 MET CB C 29.302 . 1 274 28 28 MET CG C 30.771 . 1 275 28 28 MET CE C 16.634 . 1 276 28 28 MET N N 116.645 . 1 277 29 29 SER H H 7.836 . 1 278 29 29 SER HA H 4.588 . 1 279 29 29 SER HB2 H 4.174 . 1 280 29 29 SER HB3 H 4.312 . 1 281 29 29 SER C C 174.977 . 1 282 29 29 SER CA C 58.831 . 1 283 29 29 SER CB C 64.121 . 1 284 29 29 SER N N 111.401 . 1 285 30 30 GLY H H 7.919 . 1 286 30 30 GLY HA2 H 4.485 . 1 287 30 30 GLY HA3 H 4.554 . 1 288 30 30 GLY C C 173.780 . 1 289 30 30 GLY CA C 46.358 . 1 290 30 30 GLY N N 110.160 . 1 291 31 31 HIS H H 8.101 . 1 292 31 31 HIS HA H 4.832 . 1 293 31 31 HIS HB2 H 2.758 . 1 294 31 31 HIS HB3 H 3.701 . 1 295 31 31 HIS HD2 H 7.146 . 1 296 31 31 HIS HE1 H 8.369 . 1 297 31 31 HIS C C 171.506 . 1 298 31 31 HIS CA C 55.267 . 1 299 31 31 HIS CB C 32.375 . 1 300 31 31 HIS CD2 C 119.317 . 1 301 31 31 HIS CE1 C 138.263 . 1 302 31 31 HIS N N 116.173 . 1 303 32 32 ASN H H 9.551 . 1 304 32 32 ASN HA H 4.473 . 1 305 32 32 ASN HB2 H 1.738 . 1 306 32 32 ASN HB3 H 3.021 . 1 307 32 32 ASN HD21 H 7.400 . 1 308 32 32 ASN HD22 H 7.203 . 1 309 32 32 ASN CA C 48.752 . 1 310 32 32 ASN CB C 38.412 . 1 311 32 32 ASN N N 127.096 . 1 312 32 32 ASN ND2 N 112.765 . 1 313 33 33 PRO HA H 3.874 . 1 314 33 33 PRO HB2 H 1.922 . 1 315 33 33 PRO HB3 H 2.348 . 1 316 33 33 PRO HG2 H 1.964 . 1 317 33 33 PRO HG3 H 1.964 . 1 318 33 33 PRO HD2 H 3.983 . 1 319 33 33 PRO HD3 H 3.772 . 1 320 33 33 PRO C C 177.266 . 1 321 33 33 PRO CA C 63.828 . 1 322 33 33 PRO CB C 32.341 . 1 323 33 33 PRO CG C 27.157 . 1 324 33 33 PRO CD C 51.191 . 1 325 34 34 LYS H H 7.213 . 1 326 34 34 LYS HA H 4.041 . 1 327 34 34 LYS HB2 H 1.874 . 1 328 34 34 LYS HB3 H 1.649 . 1 329 34 34 LYS HG2 H 1.413 . 1 330 34 34 LYS HG3 H 1.524 . 1 331 34 34 LYS HD2 H 1.722 . 1 332 34 34 LYS HD3 H 1.722 . 1 333 34 34 LYS HE2 H 3.039 . 1 334 34 34 LYS HE3 H 3.039 . 1 335 34 34 LYS C C 177.194 . 1 336 34 34 LYS CA C 57.321 . 1 337 34 34 LYS CB C 32.588 . 1 338 34 34 LYS CG C 25.825 . 1 339 34 34 LYS CD C 29.027 . 1 340 34 34 LYS CE C 42.290 . 1 341 34 34 LYS N N 115.418 . 1 342 35 35 VAL H H 7.739 . 1 343 35 35 VAL HA H 4.031 . 1 344 35 35 VAL HB H 2.029 . 1 345 35 35 VAL HG1 H 1.022 . 1 346 35 35 VAL HG2 H 0.888 . 1 347 35 35 VAL C C 175.601 . 1 348 35 35 VAL CA C 62.228 . 1 349 35 35 VAL CB C 30.780 . 1 350 35 35 VAL CG1 C 22.028 . 1 351 35 35 VAL CG2 C 21.107 . 1 352 35 35 VAL N N 121.180 . 1 353 36 36 LYS H H 8.096 . 1 354 36 36 LYS HA H 4.260 . 1 355 36 36 LYS HB2 H 1.843 . 1 356 36 36 LYS HB3 H 1.906 . 1 357 36 36 LYS HG2 H 1.509 . 1 358 36 36 LYS HG3 H 1.543 . 1 359 36 36 LYS HD2 H 1.706 . 1 360 36 36 LYS HD3 H 1.706 . 1 361 36 36 LYS HE2 H 3.039 . 1 362 36 36 LYS HE3 H 3.039 . 1 363 36 36 LYS C C 177.575 . 1 364 36 36 LYS CA C 57.720 . 1 365 36 36 LYS CB C 32.917 . 1 366 36 36 LYS CG C 25.133 . 1 367 36 36 LYS CD C 28.843 . 1 368 36 36 LYS CE C 42.338 . 1 369 36 36 LYS N N 125.373 . 1 370 37 37 LYS H H 8.240 . 1 371 37 37 LYS HA H 4.338 . 1 372 37 37 LYS HB2 H 1.785 . 1 373 37 37 LYS HB3 H 1.898 . 1 374 37 37 LYS HG2 H 1.338 . 1 375 37 37 LYS HG3 H 1.381 . 1 376 37 37 LYS HD2 H 1.694 . 1 377 37 37 LYS HD3 H 1.694 . 1 378 37 37 LYS HE2 H 2.986 . 1 379 37 37 LYS HE3 H 2.986 . 1 380 37 37 LYS C C 175.074 . 1 381 37 37 LYS CA C 55.917 . 1 382 37 37 LYS CB C 31.492 . 1 383 37 37 LYS CG C 24.978 . 1 384 37 37 LYS CD C 29.054 . 1 385 37 37 LYS CE C 41.958 . 1 386 37 37 LYS N N 117.496 . 1 387 38 38 ALA H H 7.921 . 1 388 38 38 ALA HA H 4.302 . 1 389 38 38 ALA HB H 1.413 . 1 390 38 38 ALA C C 176.138 . 1 391 38 38 ALA CA C 52.089 . 1 392 38 38 ALA CB C 21.708 . 1 393 38 38 ALA N N 124.046 . 1 394 39 39 VAL H H 8.577 . 1 395 39 39 VAL HA H 4.239 . 1 396 39 39 VAL HB H 2.001 . 1 397 39 39 VAL HG1 H 0.912 . 1 398 39 39 VAL HG2 H 0.976 . 1 399 39 39 VAL C C 176.060 . 1 400 39 39 VAL CA C 61.637 . 1 401 39 39 VAL CB C 33.791 . 1 402 39 39 VAL CG1 C 21.072 . 1 403 39 39 VAL CG2 C 20.732 . 1 404 39 39 VAL N N 121.045 . 1 405 40 40 CYS H H 9.325 . 1 406 40 40 CYS HA H 5.168 . 1 407 40 40 CYS HB2 H 2.940 . 1 408 40 40 CYS HB3 H 3.292 . 1 409 40 40 CYS CA C 53.509 . 1 410 40 40 CYS CB C 44.592 . 1 411 40 40 CYS N N 114.406 . 1 412 41 41 PRO HA H 4.469 . 1 413 41 41 PRO HB2 H 1.900 . 1 414 41 41 PRO HB3 H 2.327 . 1 415 41 41 PRO HG2 H 1.928 . 1 416 41 41 PRO HG3 H 2.015 . 1 417 41 41 PRO HD2 H 4.061 . 1 418 41 41 PRO HD3 H 3.841 . 1 419 41 41 PRO C C 177.403 . 1 420 41 41 PRO CA C 63.160 . 1 421 41 41 PRO CB C 32.310 . 1 422 41 41 PRO CG C 27.534 . 1 423 41 41 PRO CD C 51.697 . 1 424 42 42 SER H H 8.768 . 1 425 42 42 SER HA H 4.650 . 1 426 42 42 SER HB2 H 3.984 . 1 427 42 42 SER HB3 H 4.022 . 1 428 42 42 SER C C 174.686 . 1 429 42 42 SER CA C 58.358 . 1 430 42 42 SER CB C 64.737 . 1 431 42 42 SER N N 119.519 . 1 432 43 43 GLY H H 8.498 . 1 433 43 43 GLY HA2 H 4.580 . 1 434 43 43 GLY HA3 H 4.067 . 1 435 43 43 GLY C C 173.082 . 1 436 43 43 GLY CA C 44.819 . 1 437 43 43 GLY N N 110.170 . 1 438 44 44 THR H H 8.126 . 1 439 44 44 THR HA H 5.440 . 1 440 44 44 THR HB H 4.280 . 1 441 44 44 THR HG2 H 1.149 . 1 442 44 44 THR C C 173.909 . 1 443 44 44 THR CA C 59.517 . 1 444 44 44 THR CB C 72.357 . 1 445 44 44 THR CG2 C 20.925 . 1 446 44 44 THR N N 110.806 . 1 447 45 45 PHE H H 8.303 . 1 448 45 45 PHE HA H 5.048 . 1 449 45 45 PHE HB2 H 3.100 . 1 450 45 45 PHE HB3 H 3.100 . 1 451 45 45 PHE HD1 H 6.641 . 1 452 45 45 PHE HD2 H 6.641 . 1 453 45 45 PHE HE1 H 5.981 . 1 454 45 45 PHE HE2 H 5.981 . 1 455 45 45 PHE HZ H 6.048 . 1 456 45 45 PHE C C 171.726 . 1 457 45 45 PHE CA C 56.269 . 1 458 45 45 PHE CB C 41.013 . 1 459 45 45 PHE CD1 C 132.331 . 1 460 45 45 PHE CD2 C 132.331 . 1 461 45 45 PHE CE1 C 130.146 . 1 462 45 45 PHE CE2 C 130.146 . 1 463 45 45 PHE CZ C 128.577 . 1 464 45 45 PHE N N 117.852 . 1 465 46 46 GLU H H 8.714 . 1 466 46 46 GLU HA H 5.387 . 1 467 46 46 GLU HB2 H 2.030 . 1 468 46 46 GLU HB3 H 1.985 . 1 469 46 46 GLU HG2 H 2.201 . 1 470 46 46 GLU HG3 H 2.075 . 1 471 46 46 GLU C C 176.338 . 1 472 46 46 GLU CA C 54.721 . 1 473 46 46 GLU CB C 31.984 . 1 474 46 46 GLU CG C 36.698 . 1 475 46 46 GLU N N 121.121 . 1 476 47 47 TYR H H 9.147 . 1 477 47 47 TYR HA H 4.737 . 1 478 47 47 TYR HB2 H 3.122 . 1 479 47 47 TYR HB3 H 2.768 . 1 480 47 47 TYR HD1 H 7.125 . 1 481 47 47 TYR HD2 H 7.125 . 1 482 47 47 TYR HE1 H 6.855 . 1 483 47 47 TYR HE2 H 6.855 . 1 484 47 47 TYR C C 174.114 . 1 485 47 47 TYR CA C 58.270 . 1 486 47 47 TYR CB C 40.191 . 1 487 47 47 TYR CD1 C 132.994 . 1 488 47 47 TYR CD2 C 132.994 . 1 489 47 47 TYR CE1 C 118.617 . 1 490 47 47 TYR CE2 C 118.617 . 1 491 47 47 TYR N N 126.738 . 1 492 48 48 GLN H H 8.863 . 1 493 48 48 GLN HA H 3.557 . 1 494 48 48 GLN HB2 H 1.806 . 1 495 48 48 GLN HB3 H 1.761 . 1 496 48 48 GLN HG2 H 1.392 . 1 497 48 48 GLN HG3 H 1.573 . 1 498 48 48 GLN HE21 H 6.840 . 1 499 48 48 GLN HE22 H 7.056 . 1 500 48 48 GLN C C 174.623 . 1 501 48 48 GLN CA C 56.760 . 1 502 48 48 GLN CB C 26.218 . 1 503 48 48 GLN CG C 33.540 . 1 504 48 48 GLN N N 125.477 . 1 505 48 48 GLN NE2 N 110.862 . 1 506 49 49 ASN H H 8.812 . 1 507 49 49 ASN HA H 4.198 . 1 508 49 49 ASN HB2 H 3.010 . 1 509 49 49 ASN HB3 H 3.010 . 1 510 49 49 ASN HD21 H 6.847 . 1 511 49 49 ASN HD22 H 7.476 . 1 512 49 49 ASN C C 173.790 . 1 513 49 49 ASN CA C 55.162 . 1 514 49 49 ASN CB C 37.808 . 1 515 49 49 ASN N N 107.878 . 1 516 49 49 ASN ND2 N 113.199 . 1 517 50 50 LEU H H 8.095 . 1 518 50 50 LEU HA H 4.690 . 1 519 50 50 LEU HB2 H 2.016 . 1 520 50 50 LEU HB3 H 1.030 . 1 521 50 50 LEU HG H 1.582 . 1 522 50 50 LEU HD1 H 0.682 . 1 523 50 50 LEU HD2 H 0.789 . 1 524 50 50 LEU C C 175.111 . 1 525 50 50 LEU CA C 53.546 . 1 526 50 50 LEU CB C 44.969 . 1 527 50 50 LEU CG C 26.392 . 1 528 50 50 LEU CD1 C 25.316 . 1 529 50 50 LEU CD2 C 22.765 . 1 530 50 50 LEU N N 121.251 . 1 531 51 51 GLN H H 8.153 . 1 532 51 51 GLN HA H 4.665 . 1 533 51 51 GLN HB2 H 1.885 . 1 534 51 51 GLN HB3 H 1.885 . 1 535 51 51 GLN HG2 H 2.249 . 1 536 51 51 GLN HG3 H 2.249 . 1 537 51 51 GLN HE21 H 6.846 . 1 538 51 51 GLN HE22 H 7.473 . 1 539 51 51 GLN C C 174.610 . 1 540 51 51 GLN CA C 54.723 . 1 541 51 51 GLN CB C 29.591 . 1 542 51 51 GLN CG C 33.740 . 1 543 51 51 GLN N N 119.534 . 1 544 51 51 GLN NE2 N 111.879 . 1 545 52 52 TYR H H 9.096 . 1 546 52 52 TYR HA H 4.505 . 1 547 52 52 TYR HB2 H 1.520 . 1 548 52 52 TYR HB3 H 0.811 . 1 549 52 52 TYR HD1 H 6.582 . 1 550 52 52 TYR HD2 H 6.582 . 1 551 52 52 TYR HE1 H 7.214 . 1 552 52 52 TYR HE2 H 7.214 . 1 553 52 52 TYR C C 175.386 . 1 554 52 52 TYR CA C 57.884 . 1 555 52 52 TYR CB C 42.712 . 1 556 52 52 TYR CD1 C 132.378 . 1 557 52 52 TYR CD2 C 132.378 . 1 558 52 52 TYR CE1 C 118.657 . 1 559 52 52 TYR CE2 C 118.657 . 1 560 52 52 TYR N N 124.376 . 1 561 53 53 VAL H H 8.436 . 1 562 53 53 VAL HA H 4.563 . 1 563 53 53 VAL HB H 2.195 . 1 564 53 53 VAL HG1 H 0.937 . 1 565 53 53 VAL HG2 H 0.868 . 1 566 53 53 VAL C C 175.300 . 1 567 53 53 VAL CA C 59.092 . 1 568 53 53 VAL CB C 35.149 . 1 569 53 53 VAL CG1 C 22.001 . 1 570 53 53 VAL CG2 C 19.173 . 1 571 53 53 VAL N N 111.905 . 1 572 54 54 TYR H H 8.772 . 1 573 54 54 TYR HA H 4.702 . 1 574 54 54 TYR HB2 H 3.360 . 1 575 54 54 TYR HB3 H 2.721 . 1 576 54 54 TYR HD1 H 7.214 . 1 577 54 54 TYR HD2 H 7.214 . 1 578 54 54 TYR HE1 H 6.785 . 1 579 54 54 TYR HE2 H 6.785 . 1 580 54 54 TYR C C 177.837 . 1 581 54 54 TYR CA C 59.991 . 1 582 54 54 TYR CB C 38.745 . 1 583 54 54 TYR CD1 C 133.307 . 1 584 54 54 TYR CD2 C 133.307 . 1 585 54 54 TYR CE1 C 118.593 . 1 586 54 54 TYR CE2 C 118.593 . 1 587 54 54 TYR N N 119.478 . 1 588 55 55 MET H H 8.519 . 1 589 55 55 MET HA H 4.504 . 1 590 55 55 MET HB2 H 2.095 . 1 591 55 55 MET HB3 H 1.926 . 1 592 55 55 MET HG2 H 2.453 . 1 593 55 55 MET HG3 H 2.746 . 1 594 55 55 MET HE H 2.323 . 1 595 55 55 MET C C 178.187 . 1 596 55 55 MET CA C 54.961 . 1 597 55 55 MET CB C 34.519 . 1 598 55 55 MET CG C 32.340 . 1 599 55 55 MET CE C 19.443 . 1 600 55 55 MET N N 119.588 . 1 601 56 56 CYS H H 9.367 . 1 602 56 56 CYS HA H 5.077 . 1 603 56 56 CYS HB2 H 2.769 . 1 604 56 56 CYS HB3 H 3.989 . 1 605 56 56 CYS C C 174.776 . 1 606 56 56 CYS CA C 59.387 . 1 607 56 56 CYS CB C 47.329 . 1 608 56 56 CYS N N 117.693 . 1 609 57 57 SER H H 9.324 . 1 610 57 57 SER HA H 4.164 . 1 611 57 57 SER HB2 H 4.133 . 1 612 57 57 SER HB3 H 4.133 . 1 613 57 57 SER C C 176.685 . 1 614 57 57 SER CA C 62.221 . 1 615 57 57 SER CB C 62.588 . 1 616 57 57 SER N N 114.392 . 1 617 58 58 ASP H H 8.941 . 1 618 58 58 ASP HA H 4.575 . 1 619 58 58 ASP HB2 H 2.747 . 1 620 58 58 ASP HB3 H 2.747 . 1 621 58 58 ASP C C 175.708 . 1 622 58 58 ASP CA C 56.286 . 1 623 58 58 ASP CB C 40.396 . 1 624 58 58 ASP N N 120.817 . 1 625 59 59 LEU H H 7.604 . 1 626 59 59 LEU HA H 4.578 . 1 627 59 59 LEU HB2 H 1.707 . 1 628 59 59 LEU HB3 H 1.372 . 1 629 59 59 LEU HG H 1.438 . 1 630 59 59 LEU HD1 H 0.503 . 1 631 59 59 LEU HD2 H 0.684 . 1 632 59 59 LEU C C 176.560 . 1 633 59 59 LEU CA C 53.019 . 1 634 59 59 LEU CB C 43.568 . 1 635 59 59 LEU CG C 25.770 . 1 636 59 59 LEU CD1 C 26.510 . 1 637 59 59 LEU CD2 C 24.442 . 1 638 59 59 LEU N N 120.560 . 1 639 60 60 GLY H H 6.954 . 1 640 60 60 GLY HA2 H 3.883 . 1 641 60 60 GLY HA3 H 3.883 . 1 642 60 60 GLY C C 174.662 . 1 643 60 60 GLY CA C 48.715 . 1 644 60 60 GLY N N 100.114 . 1 645 61 61 THR H H 7.449 . 1 646 61 61 THR HA H 4.717 . 1 647 61 61 THR HB H 4.666 . 1 648 61 61 THR HG2 H 1.321 . 1 649 61 61 THR C C 173.848 . 1 650 61 61 THR CA C 58.059 . 1 651 61 61 THR CB C 72.582 . 1 652 61 61 THR CG2 C 22.184 . 1 653 61 61 THR N N 108.079 . 1 654 62 62 LYS H H 9.389 . 1 655 62 62 LYS HA H 3.807 . 1 656 62 62 LYS HB2 H 1.858 . 1 657 62 62 LYS HB3 H 1.660 . 1 658 62 62 LYS HG2 H 1.111 . 1 659 62 62 LYS HG3 H 1.186 . 1 660 62 62 LYS HD2 H 1.489 . 1 661 62 62 LYS HD3 H 1.489 . 1 662 62 62 LYS HE2 H 2.395 . 1 663 62 62 LYS HE3 H 2.528 . 1 664 62 62 LYS C C 177.330 . 1 665 62 62 LYS CA C 61.216 . 1 666 62 62 LYS CB C 31.848 . 1 667 62 62 LYS CG C 26.080 . 1 668 62 62 LYS CD C 29.304 . 1 669 62 62 LYS CE C 41.645 . 1 670 62 62 LYS N N 122.429 . 1 671 63 63 ALA H H 8.538 . 1 672 63 63 ALA HA H 4.069 . 1 673 63 63 ALA HB H 1.416 . 1 674 63 63 ALA C C 180.781 . 1 675 63 63 ALA CA C 55.495 . 1 676 63 63 ALA CB C 18.262 . 1 677 63 63 ALA N N 118.881 . 1 678 64 64 LYS H H 7.808 . 1 679 64 64 LYS HA H 4.127 . 1 680 64 64 LYS HB2 H 2.302 . 1 681 64 64 LYS HB3 H 1.739 . 1 682 64 64 LYS HG2 H 1.548 . 1 683 64 64 LYS HG3 H 1.636 . 1 684 64 64 LYS HD2 H 1.775 . 1 685 64 64 LYS HD3 H 1.888 . 1 686 64 64 LYS HE2 H 3.094 . 1 687 64 64 LYS HE3 H 3.094 . 1 688 64 64 LYS C C 180.075 . 1 689 64 64 LYS CA C 60.186 . 1 690 64 64 LYS CB C 33.611 . 1 691 64 64 LYS CG C 27.106 . 1 692 64 64 LYS CD C 30.132 . 1 693 64 64 LYS CE C 42.497 . 1 694 64 64 LYS N N 117.695 . 1 695 65 65 ALA H H 8.227 . 1 696 65 65 ALA HA H 4.420 . 1 697 65 65 ALA HB H 1.509 . 1 698 65 65 ALA C C 179.194 . 1 699 65 65 ALA CA C 55.697 . 1 700 65 65 ALA CB C 17.555 . 1 701 65 65 ALA N N 123.297 . 1 702 66 66 VAL H H 9.233 . 1 703 66 66 VAL HA H 3.506 . 1 704 66 66 VAL HB H 2.211 . 1 705 66 66 VAL HG1 H 0.917 . 1 706 66 66 VAL HG2 H 1.037 . 1 707 66 66 VAL C C 179.738 . 1 708 66 66 VAL CA C 67.770 . 1 709 66 66 VAL CB C 31.613 . 1 710 66 66 VAL CG1 C 21.420 . 1 711 66 66 VAL CG2 C 23.671 . 1 712 66 66 VAL N N 118.573 . 1 713 67 67 ASN H H 8.393 . 1 714 67 67 ASN HA H 4.503 . 1 715 67 67 ASN HB2 H 2.945 . 1 716 67 67 ASN HB3 H 3.008 . 1 717 67 67 ASN HD21 H 6.982 . 1 718 67 67 ASN HD22 H 7.799 . 1 719 67 67 ASN C C 177.352 . 1 720 67 67 ASN CA C 56.742 . 1 721 67 67 ASN CB C 38.383 . 1 722 67 67 ASN N N 119.706 . 1 723 67 67 ASN ND2 N 112.653 . 1 724 68 68 TYR H H 7.818 . 1 725 68 68 TYR HA H 4.654 . 1 726 68 68 TYR HB2 H 3.413 . 1 727 68 68 TYR HB3 H 3.250 . 1 728 68 68 TYR HD1 H 7.301 . 1 729 68 68 TYR HD2 H 7.301 . 1 730 68 68 TYR HE1 H 6.820 . 1 731 68 68 TYR HE2 H 6.820 . 1 732 68 68 TYR C C 175.958 . 1 733 68 68 TYR CA C 59.745 . 1 734 68 68 TYR CB C 39.425 . 1 735 68 68 TYR CD1 C 133.841 . 1 736 68 68 TYR CD2 C 133.841 . 1 737 68 68 TYR CE1 C 117.934 . 1 738 68 68 TYR CE2 C 117.934 . 1 739 68 68 TYR N N 119.402 . 1 740 69 69 LEU H H 7.737 . 1 741 69 69 LEU HA H 4.218 . 1 742 69 69 LEU HB2 H 1.940 . 1 743 69 69 LEU HB3 H 1.637 . 1 744 69 69 LEU HG H 2.364 . 1 745 69 69 LEU HD1 H 0.789 . 1 746 69 69 LEU HD2 H 1.285 . 1 747 69 69 LEU C C 178.053 . 1 748 69 69 LEU CA C 55.934 . 1 749 69 69 LEU CB C 44.260 . 1 750 69 69 LEU CG C 26.873 . 1 751 69 69 LEU CD1 C 26.356 . 1 752 69 69 LEU CD2 C 22.672 . 1 753 69 69 LEU N N 114.590 . 1 754 70 70 THR H H 8.370 . 1 755 70 70 THR HA H 4.371 . 1 756 70 70 THR HB H 4.440 . 1 757 70 70 THR HG2 H 1.318 . 1 758 70 70 THR C C 171.579 . 1 759 70 70 THR CA C 67.138 . 1 760 70 70 THR CB C 68.835 . 1 761 70 70 THR CG2 C 20.989 . 1 762 70 70 THR N N 117.972 . 1 763 71 71 PRO HA H 4.334 . 1 764 71 71 PRO HB2 H 1.448 . 1 765 71 71 PRO HB3 H 2.364 . 1 766 71 71 PRO HG2 H 2.074 . 1 767 71 71 PRO HG3 H 1.922 . 1 768 71 71 PRO HD2 H 3.405 . 1 769 71 71 PRO HD3 H 3.776 . 1 770 71 71 PRO C C 175.246 . 1 771 71 71 PRO CA C 65.944 . 1 772 71 71 PRO CB C 31.907 . 1 773 71 71 PRO CG C 28.650 . 1 774 71 71 PRO CD C 51.015 . 1 775 72 72 ILE H H 7.112 . 1 776 72 72 ILE HA H 4.393 . 1 777 72 72 ILE HB H 1.207 . 1 778 72 72 ILE HG12 H 0.719 . 1 779 72 72 ILE HG13 H 0.027 . 1 780 72 72 ILE HG2 H -0.166 . 1 781 72 72 ILE HD1 H 0.647 . 1 782 72 72 ILE C C 172.225 . 1 783 72 72 ILE CA C 57.357 . 1 784 72 72 ILE CB C 40.341 . 1 785 72 72 ILE CG1 C 28.033 . 1 786 72 72 ILE CG2 C 17.331 . 1 787 72 72 ILE CD1 C 11.805 . 1 788 72 72 ILE N N 110.206 . 1 789 73 73 PHE H H 7.808 . 1 790 73 73 PHE HA H 5.770 . 1 791 73 73 PHE HB2 H 3.122 . 1 792 73 73 PHE HB3 H 2.530 . 1 793 73 73 PHE HD1 H 7.277 . 1 794 73 73 PHE HD2 H 7.277 . 1 795 73 73 PHE HE1 H 7.369 . 1 796 73 73 PHE HE2 H 7.369 . 1 797 73 73 PHE HZ H 7.649 . 1 798 73 73 PHE C C 175.064 . 1 799 73 73 PHE CA C 56.224 . 1 800 73 73 PHE CB C 43.040 . 1 801 73 73 PHE CD1 C 131.976 . 1 802 73 73 PHE CD2 C 131.976 . 1 803 73 73 PHE CE1 C 131.912 . 1 804 73 73 PHE CE2 C 131.912 . 1 805 73 73 PHE CZ C 132.072 . 1 806 73 73 PHE N N 118.243 . 1 807 74 74 THR H H 7.578 . 1 808 74 74 THR HA H 4.288 . 1 809 74 74 THR HB H 4.770 . 1 810 74 74 THR HG2 H 1.149 . 1 811 74 74 THR C C 174.929 . 1 812 74 74 THR CA C 60.784 . 1 813 74 74 THR CB C 70.890 . 1 814 74 74 THR CG2 C 23.590 . 1 815 74 74 THR N N 108.394 . 1 816 75 75 LYS H H 9.649 . 1 817 75 75 LYS HA H 3.899 . 1 818 75 75 LYS HB2 H 1.894 . 1 819 75 75 LYS HB3 H 1.894 . 1 820 75 75 LYS HG2 H 1.450 . 1 821 75 75 LYS HG3 H 1.619 . 1 822 75 75 LYS HD2 H 1.703 . 1 823 75 75 LYS HD3 H 1.703 . 1 824 75 75 LYS HE2 H 2.976 . 1 825 75 75 LYS HE3 H 2.976 . 1 826 75 75 LYS C C 180.270 . 1 827 75 75 LYS CA C 60.532 . 1 828 75 75 LYS CB C 32.341 . 1 829 75 75 LYS CG C 24.883 . 1 830 75 75 LYS CD C 29.236 . 1 831 75 75 LYS CE C 42.105 . 1 832 75 75 LYS N N 123.189 . 1 833 76 76 THR H H 8.207 . 1 834 76 76 THR HA H 4.002 . 1 835 76 76 THR HB H 4.171 . 1 836 76 76 THR HG2 H 1.306 . 1 837 76 76 THR C C 176.335 . 1 838 76 76 THR CA C 65.091 . 1 839 76 76 THR CB C 68.424 . 1 840 76 76 THR CG2 C 22.190 . 1 841 76 76 THR N N 111.337 . 1 842 77 77 ALA H H 7.597 . 1 843 77 77 ALA HA H 3.992 . 1 844 77 77 ALA HB H 1.493 . 1 845 77 77 ALA C C 181.537 . 1 846 77 77 ALA CA C 54.723 . 1 847 77 77 ALA CB C 18.395 . 1 848 77 77 ALA N N 124.887 . 1 849 78 78 ILE H H 8.014 . 1 850 78 78 ILE HA H 2.806 . 1 851 78 78 ILE HB H 1.699 . 1 852 78 78 ILE HG12 H 0.797 . 1 853 78 78 ILE HG13 H 0.459 . 1 854 78 78 ILE HG2 H 0.318 . 1 855 78 78 ILE HD1 H 0.647 . 1 856 78 78 ILE C C 175.908 . 1 857 78 78 ILE CA C 65.768 . 1 858 78 78 ILE CB C 38.533 . 1 859 78 78 ILE CG1 C 29.553 . 1 860 78 78 ILE CG2 C 17.807 . 1 861 78 78 ILE CD1 C 14.510 . 1 862 78 78 ILE N N 119.872 . 1 863 79 79 GLU H H 7.543 . 1 864 79 79 GLU HA H 3.788 . 1 865 79 79 GLU HB2 H 2.000 . 1 866 79 79 GLU HB3 H 2.000 . 1 867 79 79 GLU HG2 H 2.347 . 1 868 79 79 GLU HG3 H 2.212 . 1 869 79 79 GLU C C 179.831 . 1 870 79 79 GLU CA C 59.407 . 1 871 79 79 GLU CB C 29.589 . 1 872 79 79 GLU CG C 35.901 . 1 873 79 79 GLU N N 117.408 . 1 874 80 80 LYS H H 8.264 . 1 875 80 80 LYS HA H 4.070 . 1 876 80 80 LYS HB2 H 1.888 . 1 877 80 80 LYS HB3 H 1.935 . 1 878 80 80 LYS HG2 H 1.537 . 1 879 80 80 LYS HG3 H 1.537 . 1 880 80 80 LYS HD2 H 1.774 . 1 881 80 80 LYS HD3 H 1.774 . 1 882 80 80 LYS HE2 H 3.064 . 1 883 80 80 LYS HE3 H 3.064 . 1 884 80 80 LYS C C 178.102 . 1 885 80 80 LYS CA C 59.095 . 1 886 80 80 LYS CB C 32.588 . 1 887 80 80 LYS CG C 25.343 . 1 888 80 80 LYS CD C 29.211 . 1 889 80 80 LYS CE C 42.382 . 1 890 80 80 LYS N N 118.736 . 1 891 81 81 GLY H H 8.110 . 1 892 81 81 GLY HA2 H 4.084 . 1 893 81 81 GLY HA3 H 3.193 . 1 894 81 81 GLY C C 175.045 . 1 895 81 81 GLY CA C 47.787 . 1 896 81 81 GLY N N 108.876 . 1 897 82 82 PHE H H 7.942 . 1 898 82 82 PHE HA H 4.243 . 1 899 82 82 PHE HB2 H 3.068 . 1 900 82 82 PHE HB3 H 3.002 . 1 901 82 82 PHE HD1 H 6.532 . 1 902 82 82 PHE HD2 H 6.532 . 1 903 82 82 PHE HE1 H 6.619 . 1 904 82 82 PHE HE2 H 6.619 . 1 905 82 82 PHE HZ H 6.710 . 1 906 82 82 PHE C C 178.861 . 1 907 82 82 PHE CA C 58.595 . 1 908 82 82 PHE CB C 37.931 . 1 909 82 82 PHE CD1 C 130.019 . 1 910 82 82 PHE CD2 C 130.019 . 1 911 82 82 PHE CE1 C 130.057 . 1 912 82 82 PHE CE2 C 130.057 . 1 913 82 82 PHE CZ C 127.902 . 1 914 82 82 PHE N N 118.996 . 1 915 83 83 LYS H H 7.222 . 1 916 83 83 LYS HA H 4.273 . 1 917 83 83 LYS HB2 H 2.017 . 1 918 83 83 LYS HB3 H 2.017 . 1 919 83 83 LYS HG2 H 1.654 . 1 920 83 83 LYS HG3 H 1.521 . 1 921 83 83 LYS HD2 H 1.772 . 1 922 83 83 LYS HD3 H 1.772 . 1 923 83 83 LYS HE2 H 3.057 . 1 924 83 83 LYS HE3 H 3.057 . 1 925 83 83 LYS C C 180.033 . 1 926 83 83 LYS CA C 59.025 . 1 927 83 83 LYS CB C 32.711 . 1 928 83 83 LYS CG C 25.060 . 1 929 83 83 LYS CD C 29.350 . 1 930 83 83 LYS CE C 42.040 . 1 931 83 83 LYS N N 118.199 . 1 932 84 84 ASP H H 9.346 . 1 933 84 84 ASP HA H 4.123 . 1 934 84 84 ASP HB2 H 2.873 . 1 935 84 84 ASP HB3 H 2.365 . 1 936 84 84 ASP C C 177.390 . 1 937 84 84 ASP CA C 56.970 . 1 938 84 84 ASP CB C 40.565 . 1 939 84 84 ASP N N 121.896 . 1 940 85 85 TYR H H 7.908 . 1 941 85 85 TYR HA H 4.154 . 1 942 85 85 TYR HB2 H 3.321 . 1 943 85 85 TYR HB3 H 3.010 . 1 944 85 85 TYR HD1 H 7.623 . 1 945 85 85 TYR HD2 H 7.623 . 1 946 85 85 TYR HE1 H 6.908 . 1 947 85 85 TYR HE2 H 6.908 . 1 948 85 85 TYR C C 174.374 . 1 949 85 85 TYR CA C 59.500 . 1 950 85 85 TYR CB C 37.546 . 1 951 85 85 TYR CD1 C 133.368 . 1 952 85 85 TYR CD2 C 133.368 . 1 953 85 85 TYR CE1 C 116.987 . 1 954 85 85 TYR CE2 C 116.987 . 1 955 85 85 TYR N N 113.283 . 1 956 86 86 HIS H H 7.448 . 1 957 86 86 HIS HA H 4.447 . 1 958 86 86 HIS HB2 H 3.423 . 1 959 86 86 HIS HB3 H 3.300 . 1 960 86 86 HIS HD2 H 7.084 . 1 961 86 86 HIS HE1 H 8.347 . 1 962 86 86 HIS C C 175.744 . 1 963 86 86 HIS CA C 56.426 . 1 964 86 86 HIS CB C 25.928 . 1 965 86 86 HIS CD2 C 120.468 . 1 966 86 86 HIS CE1 C 137.251 . 1 967 86 86 HIS N N 110.880 . 1 968 87 87 PHE H H 8.505 . 1 969 87 87 PHE HA H 4.914 . 1 970 87 87 PHE HB2 H 2.766 . 1 971 87 87 PHE HB3 H 2.901 . 1 972 87 87 PHE HD1 H 7.085 . 1 973 87 87 PHE HD2 H 7.085 . 1 974 87 87 PHE HE1 H 7.084 . 1 975 87 87 PHE HE2 H 7.084 . 1 976 87 87 PHE HZ H 7.084 . 1 977 87 87 PHE C C 176.988 . 1 978 87 87 PHE CA C 60.114 . 1 979 87 87 PHE CB C 39.287 . 1 980 87 87 PHE CD1 C 130.979 . 1 981 87 87 PHE CD2 C 130.979 . 1 982 87 87 PHE N N 119.265 . 1 983 88 88 THR H H 8.907 . 1 984 88 88 THR HA H 4.828 . 1 985 88 88 THR HB H 3.770 . 1 986 88 88 THR HG2 H 0.417 . 1 987 88 88 THR C C 170.343 . 1 988 88 88 THR CA C 60.729 . 1 989 88 88 THR CB C 71.172 . 1 990 88 88 THR CG2 C 18.967 . 1 991 88 88 THR N N 116.591 . 1 992 89 89 VAL H H 7.750 . 1 993 89 89 VAL HA H 4.781 . 1 994 89 89 VAL HB H 1.872 . 1 995 89 89 VAL HG1 H 0.725 . 1 996 89 89 VAL HG2 H 0.900 . 1 997 89 89 VAL C C 175.908 . 1 998 89 89 VAL CA C 60.886 . 1 999 89 89 VAL CB C 32.733 . 1 1000 89 89 VAL CG1 C 20.994 . 1 1001 89 89 VAL CG2 C 21.584 . 1 1002 89 89 VAL N N 122.979 . 1 1003 90 90 SER H H 9.175 . 1 1004 90 90 SER HA H 4.549 . 1 1005 90 90 SER HB2 H 3.325 . 1 1006 90 90 SER HB3 H 3.112 . 1 1007 90 90 SER C C 174.291 . 1 1008 90 90 SER CA C 55.759 . 1 1009 90 90 SER CB C 63.868 . 1 1010 90 90 SER N N 123.117 . 1 1011 91 91 LYS H H 9.326 . 1 1012 91 91 LYS HA H 3.838 . 1 1013 91 91 LYS HB2 H 1.834 . 1 1014 91 91 LYS HB3 H 1.834 . 1 1015 91 91 LYS HG2 H 1.309 . 1 1016 91 91 LYS HG3 H 1.309 . 1 1017 91 91 LYS HD2 H 1.552 . 1 1018 91 91 LYS HD3 H 1.630 . 1 1019 91 91 LYS HE2 H 2.904 . 1 1020 91 91 LYS HE3 H 2.904 . 1 1021 91 91 LYS C C 177.101 . 1 1022 91 91 LYS CA C 57.098 . 1 1023 91 91 LYS CB C 29.382 . 1 1024 91 91 LYS CG C 24.975 . 1 1025 91 91 LYS CD C 29.172 . 1 1026 91 91 LYS CE C 42.287 . 1 1027 91 91 LYS N N 127.381 . 1 1028 92 92 GLY H H 8.353 . 1 1029 92 92 GLY HA2 H 4.133 . 1 1030 92 92 GLY HA3 H 3.501 . 1 1031 92 92 GLY C C 174.220 . 1 1032 92 92 GLY CA C 45.417 . 1 1033 92 92 GLY N N 103.109 . 1 1034 93 93 LYS H H 7.985 . 1 1035 93 93 LYS HA H 4.796 . 1 1036 93 93 LYS HB2 H 2.128 . 1 1037 93 93 LYS HB3 H 1.999 . 1 1038 93 93 LYS HG2 H 1.373 . 1 1039 93 93 LYS HG3 H 1.340 . 1 1040 93 93 LYS HD2 H 1.453 . 1 1041 93 93 LYS HD3 H 1.186 . 1 1042 93 93 LYS HE2 H 2.654 . 1 1043 93 93 LYS HE3 H 2.654 . 1 1044 93 93 LYS C C 174.584 . 1 1045 93 93 LYS CA C 55.127 . 1 1046 93 93 LYS CB C 34.883 . 1 1047 93 93 LYS CG C 24.369 . 1 1048 93 93 LYS CD C 28.643 . 1 1049 93 93 LYS CE C 41.547 . 1 1050 93 93 LYS N N 122.721 . 1 1051 94 94 LEU H H 8.148 . 1 1052 94 94 LEU HA H 4.717 . 1 1053 94 94 LEU HB2 H 1.911 . 1 1054 94 94 LEU HB3 H 0.874 . 1 1055 94 94 LEU HG H 1.833 . 1 1056 94 94 LEU HD1 H 0.847 . 1 1057 94 94 LEU HD2 H 0.913 . 1 1058 94 94 LEU C C 174.779 . 1 1059 94 94 LEU CA C 55.250 . 1 1060 94 94 LEU CB C 43.143 . 1 1061 94 94 LEU CG C 26.700 . 1 1062 94 94 LEU CD1 C 26.402 . 1 1063 94 94 LEU CD2 C 24.146 . 1 1064 94 94 LEU N N 125.096 . 1 1065 95 95 ALA H H 9.348 . 1 1066 95 95 ALA HA H 5.199 . 1 1067 95 95 ALA HB H 1.313 . 1 1068 95 95 ALA C C 173.644 . 1 1069 95 95 ALA CA C 52.125 . 1 1070 95 95 ALA CB C 24.163 . 1 1071 95 95 ALA N N 129.698 . 1 1072 96 96 VAL H H 8.834 . 1 1073 96 96 VAL HA H 4.717 . 1 1074 96 96 VAL HB H 1.770 . 1 1075 96 96 VAL HG1 H 0.537 . 1 1076 96 96 VAL HG2 H 0.503 . 1 1077 96 96 VAL C C 171.288 . 1 1078 96 96 VAL CA C 56.777 . 1 1079 96 96 VAL CB C 37.355 . 1 1080 96 96 VAL CG1 C 21.308 . 1 1081 96 96 VAL CG2 C 19.847 . 1 1082 96 96 VAL N N 119.215 . 1 1083 97 97 PRO HA H 4.165 . 1 1084 97 97 PRO HB2 H 1.539 . 1 1085 97 97 PRO HB3 H 1.690 . 1 1086 97 97 PRO HG2 H 1.971 . 1 1087 97 97 PRO HG3 H 1.184 . 1 1088 97 97 PRO HD2 H 3.316 . 1 1089 97 97 PRO HD3 H 3.499 . 1 1090 97 97 PRO C C 178.124 . 1 1091 97 97 PRO CA C 62.010 . 1 1092 97 97 PRO CB C 31.621 . 1 1093 97 97 PRO CG C 28.656 . 1 1094 97 97 PRO CD C 52.021 . 1 1095 98 98 ILE H H 8.296 . 1 1096 98 98 ILE HA H 3.920 . 1 1097 98 98 ILE HB H 1.624 . 1 1098 98 98 ILE HG12 H 1.070 . 1 1099 98 98 ILE HG13 H 1.425 . 1 1100 98 98 ILE HG2 H 0.874 . 1 1101 98 98 ILE HD1 H 0.774 . 1 1102 98 98 ILE C C 176.477 . 1 1103 98 98 ILE CA C 62.256 . 1 1104 98 98 ILE CB C 38.923 . 1 1105 98 98 ILE CG1 C 28.049 . 1 1106 98 98 ILE CG2 C 17.442 . 1 1107 98 98 ILE CD1 C 13.698 . 1 1108 98 98 ILE N N 122.691 . 1 1109 99 99 GLY H H 8.128 . 1 1110 99 99 GLY HA2 H 4.257 . 1 1111 99 99 GLY HA3 H 4.022 . 1 1112 99 99 GLY C C 172.812 . 1 1113 99 99 GLY CA C 45.188 . 1 1114 99 99 GLY N N 114.205 . 1 1115 100 100 ASP H H 8.433 . 1 1116 100 100 ASP HA H 4.844 . 1 1117 100 100 ASP HB2 H 2.770 . 1 1118 100 100 ASP HB3 H 2.685 . 1 1119 100 100 ASP C C 176.532 . 1 1120 100 100 ASP CA C 53.881 . 1 1121 100 100 ASP CB C 42.582 . 1 1122 100 100 ASP N N 120.545 . 1 1123 101 101 GLY H H 8.503 . 1 1124 101 101 GLY HA2 H 4.153 . 1 1125 101 101 GLY HA3 H 3.849 . 1 1126 101 101 GLY C C 173.140 . 1 1127 101 101 GLY CA C 45.275 . 1 1128 101 101 GLY N N 109.156 . 1 1129 102 102 ASP H H 8.122 . 1 1130 102 102 ASP HA H 4.580 . 1 1131 102 102 ASP HB2 H 2.604 . 1 1132 102 102 ASP HB3 H 2.604 . 1 1133 102 102 ASP C C 175.588 . 1 1134 102 102 ASP CA C 54.071 . 1 1135 102 102 ASP CB C 42.166 . 1 1136 102 102 ASP N N 120.020 . 1 1137 103 103 ASN H H 8.594 . 1 1138 103 103 ASN HA H 4.914 . 1 1139 103 103 ASN HB2 H 2.789 . 1 1140 103 103 ASN HB3 H 2.746 . 1 1141 103 103 ASN HD21 H 7.475 . 1 1142 103 103 ASN HD22 H 6.897 . 1 1143 103 103 ASN C C 174.810 . 1 1144 103 103 ASN CA C 52.686 . 1 1145 103 103 ASN CB C 39.122 . 1 1146 103 103 ASN N N 120.175 . 1 1147 103 103 ASN ND2 N 112.696 . 1 1148 104 104 LEU H H 8.395 . 1 1149 104 104 LEU HA H 4.433 . 1 1150 104 104 LEU HB2 H 1.710 . 1 1151 104 104 LEU HB3 H 1.647 . 1 1152 104 104 LEU HG H 1.578 . 1 1153 104 104 LEU HD1 H 0.927 . 1 1154 104 104 LEU HD2 H 0.858 . 1 1155 104 104 LEU C C 176.658 . 1 1156 104 104 LEU CA C 55.478 . 1 1157 104 104 LEU CB C 43.408 . 1 1158 104 104 LEU CG C 27.110 . 1 1159 104 104 LEU CD1 C 25.043 . 1 1160 104 104 LEU CD2 C 23.646 . 1 1161 104 104 LEU N N 120.090 . 1 1162 105 105 LEU H H 8.216 . 1 1163 105 105 LEU HA H 4.307 . 1 1164 105 105 LEU HB2 H 1.989 . 1 1165 105 105 LEU HB3 H 0.957 . 1 1166 105 105 LEU HG H 1.584 . 1 1167 105 105 LEU HD1 H 0.827 . 1 1168 105 105 LEU HD2 H 0.591 . 1 1169 105 105 LEU C C 176.410 . 1 1170 105 105 LEU CA C 55.303 . 1 1171 105 105 LEU CB C 42.020 . 1 1172 105 105 LEU CG C 27.646 . 1 1173 105 105 LEU CD1 C 24.883 . 1 1174 105 105 LEU CD2 C 23.377 . 1 1175 105 105 LEU N N 119.167 . 1 1176 106 106 ASN H H 8.945 . 1 1177 106 106 ASN HA H 5.039 . 1 1178 106 106 ASN HB2 H 2.966 . 1 1179 106 106 ASN HB3 H 2.069 . 1 1180 106 106 ASN HD21 H 6.925 . 1 1181 106 106 ASN HD22 H 7.683 . 1 1182 106 106 ASN C C 175.113 . 1 1183 106 106 ASN CA C 49.918 . 1 1184 106 106 ASN CB C 37.018 . 1 1185 106 106 ASN N N 121.407 . 1 1186 106 106 ASN ND2 N 109.407 . 1 1187 107 107 TRP H H 7.925 . 1 1188 107 107 TRP HA H 3.890 . 1 1189 107 107 TRP HB2 H 3.099 . 1 1190 107 107 TRP HB3 H 2.810 . 1 1191 107 107 TRP HD1 H 7.238 . 1 1192 107 107 TRP HE1 H 10.326 . 1 1193 107 107 TRP HE3 H 7.076 . 1 1194 107 107 TRP HZ2 H 7.592 . 1 1195 107 107 TRP HZ3 H 5.900 . 1 1196 107 107 TRP HH2 H 6.670 . 1 1197 107 107 TRP C C 179.085 . 1 1198 107 107 TRP CA C 61.673 . 1 1199 107 107 TRP CB C 29.044 . 1 1200 107 107 TRP CD1 C 126.148 . 1 1201 107 107 TRP CZ2 C 114.971 . 1 1202 107 107 TRP CZ3 C 121.621 . 1 1203 107 107 TRP CH2 C 124.031 . 1 1204 107 107 TRP N N 122.020 . 1 1205 107 107 TRP NE1 N 131.186 . 1 1206 108 108 LYS H H 8.528 . 1 1207 108 108 LYS HA H 4.170 . 1 1208 108 108 LYS HB2 H 2.034 . 1 1209 108 108 LYS HB3 H 1.944 . 1 1210 108 108 LYS HG2 H 1.575 . 1 1211 108 108 LYS HG3 H 1.575 . 1 1212 108 108 LYS HD2 H 1.774 . 1 1213 108 108 LYS HD3 H 1.774 . 1 1214 108 108 LYS HE2 H 3.077 . 1 1215 108 108 LYS HE3 H 3.077 . 1 1216 108 108 LYS C C 177.248 . 1 1217 108 108 LYS CA C 59.622 . 1 1218 108 108 LYS CB C 31.971 . 1 1219 108 108 LYS CG C 25.766 . 1 1220 108 108 LYS CD C 29.465 . 1 1221 108 108 LYS CE C 42.122 . 1 1222 108 108 LYS N N 118.159 . 1 1223 109 109 LYS H H 7.061 . 1 1224 109 109 LYS HA H 4.670 . 1 1225 109 109 LYS HB2 H 2.247 . 1 1226 109 109 LYS HB3 H 1.427 . 1 1227 109 109 LYS HG2 H 1.318 . 1 1228 109 109 LYS HG3 H 1.495 . 1 1229 109 109 LYS HD2 H 1.671 . 1 1230 109 109 LYS HD3 H 1.671 . 1 1231 109 109 LYS HE2 H 2.989 . 1 1232 109 109 LYS HE3 H 2.989 . 1 1233 109 109 LYS C C 175.048 . 1 1234 109 109 LYS CA C 54.336 . 1 1235 109 109 LYS CB C 32.506 . 1 1236 109 109 LYS CG C 25.170 . 1 1237 109 109 LYS CD C 28.605 . 1 1238 109 109 LYS CE C 42.013 . 1 1239 109 109 LYS N N 116.710 . 1 1240 110 110 SER H H 7.553 . 1 1241 110 110 SER HA H 4.828 . 1 1242 110 110 SER HB2 H 4.093 . 1 1243 110 110 SER HB3 H 4.012 . 1 1244 110 110 SER C C 173.529 . 1 1245 110 110 SER CA C 59.394 . 1 1246 110 110 SER CB C 66.493 . 1 1247 110 110 SER N N 114.836 . 1 1248 111 111 THR H H 8.190 . 1 1249 111 111 THR HA H 4.670 . 1 1250 111 111 THR HB H 4.259 . 1 1251 111 111 THR HG2 H 1.243 . 1 1252 111 111 THR C C 173.060 . 1 1253 111 111 THR CA C 60.447 . 1 1254 111 111 THR CB C 71.251 . 1 1255 111 111 THR CG2 C 21.655 . 1 1256 111 111 THR N N 110.373 . 1 1257 112 112 ALA H H 8.668 . 1 1258 112 112 ALA HA H 4.907 . 1 1259 112 112 ALA HB H 0.594 . 1 1260 112 112 ALA C C 175.673 . 1 1261 112 112 ALA CA C 50.930 . 1 1262 112 112 ALA CB C 22.184 . 1 1263 112 112 ALA N N 124.552 . 1 1264 113 113 LYS H H 8.485 . 1 1265 113 113 LYS HA H 4.702 . 1 1266 113 113 LYS HB2 H 1.699 . 1 1267 113 113 LYS HB3 H 1.794 . 1 1268 113 113 LYS HG2 H 1.284 . 1 1269 113 113 LYS HG3 H 1.390 . 1 1270 113 113 LYS HD2 H 1.654 . 1 1271 113 113 LYS HD3 H 1.654 . 1 1272 113 113 LYS HE2 H 2.943 . 1 1273 113 113 LYS HE3 H 2.943 . 1 1274 113 113 LYS C C 174.843 . 1 1275 113 113 LYS CA C 54.406 . 1 1276 113 113 LYS CB C 36.466 . 1 1277 113 113 LYS CG C 24.632 . 1 1278 113 113 LYS CD C 29.211 . 1 1279 113 113 LYS CE C 42.290 . 1 1280 113 113 LYS N N 120.701 . 1 1281 114 114 LEU H H 9.021 . 1 1282 114 114 LEU HA H 3.244 . 1 1283 114 114 LEU HB2 H 1.596 . 1 1284 114 114 LEU HB3 H 1.113 . 1 1285 114 114 LEU HG H 1.001 . 1 1286 114 114 LEU HD1 H 0.676 . 1 1287 114 114 LEU HD2 H 0.417 . 1 1288 114 114 LEU C C 176.299 . 1 1289 114 114 LEU CA C 56.777 . 1 1290 114 114 LEU CB C 41.712 . 1 1291 114 114 LEU CG C 27.169 . 1 1292 114 114 LEU CD1 C 25.669 . 1 1293 114 114 LEU CD2 C 24.422 . 1 1294 114 114 LEU N N 130.425 . 1 1295 115 115 ILE H H 8.550 . 1 1296 115 115 ILE HA H 4.413 . 1 1297 115 115 ILE HB H 1.782 . 1 1298 115 115 ILE HG12 H 1.136 . 1 1299 115 115 ILE HG13 H 1.306 . 1 1300 115 115 ILE HG2 H 0.854 . 1 1301 115 115 ILE HD1 H 0.744 . 1 1302 115 115 ILE C C 175.966 . 1 1303 115 115 ILE CA C 60.535 . 1 1304 115 115 ILE CB C 38.239 . 1 1305 115 115 ILE CG1 C 27.089 . 1 1306 115 115 ILE CG2 C 17.423 . 1 1307 115 115 ILE CD1 C 10.886 . 1 1308 115 115 ILE N N 124.549 . 1 1309 116 116 SER H H 7.539 . 1 1310 116 116 SER HA H 4.591 . 1 1311 116 116 SER HB2 H 3.810 . 1 1312 116 116 SER HB3 H 3.714 . 1 1313 116 116 SER C C 171.660 . 1 1314 116 116 SER CA C 57.708 . 1 1315 116 116 SER CB C 64.970 . 1 1316 116 116 SER N N 111.997 . 1 1317 117 117 LYS H H 8.543 . 1 1318 117 117 LYS HA H 4.899 . 1 1319 117 117 LYS HB2 H 1.877 . 1 1320 117 117 LYS HB3 H 1.722 . 1 1321 117 117 LYS HG2 H 1.363 . 1 1322 117 117 LYS HG3 H 1.458 . 1 1323 117 117 LYS HD2 H 1.689 . 1 1324 117 117 LYS HD3 H 1.689 . 1 1325 117 117 LYS HE2 H 3.004 . 1 1326 117 117 LYS HE3 H 3.004 . 1 1327 117 117 LYS C C 174.607 . 1 1328 117 117 LYS CA C 56.250 . 1 1329 117 117 LYS CB C 35.220 . 1 1330 117 117 LYS CG C 24.791 . 1 1331 117 117 LYS CD C 29.547 . 1 1332 117 117 LYS CE C 42.122 . 1 1333 117 117 LYS N N 123.841 . 1 1334 118 118 LYS H H 8.435 . 1 1335 118 118 LYS HA H 4.613 . 1 1336 118 118 LYS HB2 H 1.845 . 1 1337 118 118 LYS HB3 H 1.801 . 1 1338 118 118 LYS HG2 H 1.396 . 1 1339 118 118 LYS HG3 H 1.396 . 1 1340 118 118 LYS HD2 H 1.711 . 1 1341 118 118 LYS HD3 H 1.711 . 1 1342 118 118 LYS HE2 H 3.008 . 1 1343 118 118 LYS HE3 H 3.008 . 1 1344 118 118 LYS C C 176.350 . 1 1345 118 118 LYS CA C 55.618 . 1 1346 118 118 LYS CB C 34.314 . 1 1347 118 118 LYS CG C 24.699 . 1 1348 118 118 LYS CD C 29.211 . 1 1349 118 118 LYS CE C 42.356 . 1 1350 118 118 LYS N N 125.866 . 1 1351 119 119 GLY HA2 H 3.845 . 1 1352 119 119 GLY HA3 H 4.132 . 1 1353 119 119 GLY CA C 47.752 . 1 1354 120 120 SER HA H 4.711 . 1 1355 120 120 SER HB2 H 4.044 . 1 1356 120 120 SER HB3 H 4.093 . 1 1357 120 120 SER C C 172.310 . 1 1358 120 120 SER CA C 58.007 . 1 1359 120 120 SER CB C 63.453 . 1 1360 121 121 THR H H 7.954 . 1 1361 121 121 THR HA H 5.751 . 1 1362 121 121 THR HB H 4.194 . 1 1363 121 121 THR HG2 H 1.264 . 1 1364 121 121 THR C C 173.788 . 1 1365 121 121 THR CA C 61.432 . 1 1366 121 121 THR CB C 71.588 . 1 1367 121 121 THR CG2 C 21.897 . 1 1368 121 121 THR N N 113.775 . 1 1369 122 122 ILE H H 9.607 . 1 1370 122 122 ILE HA H 4.844 . 1 1371 122 122 ILE HB H 1.516 . 1 1372 122 122 ILE HG12 H 1.710 . 1 1373 122 122 ILE HG13 H 0.909 . 1 1374 122 122 ILE HG2 H 0.766 . 1 1375 122 122 ILE HD1 H 0.561 . 1 1376 122 122 ILE C C 174.032 . 1 1377 122 122 ILE CA C 61.027 . 1 1378 122 122 ILE CB C 42.451 . 1 1379 122 122 ILE CG1 C 28.826 . 1 1380 122 122 ILE CG2 C 18.497 . 1 1381 122 122 ILE CD1 C 14.945 . 1 1382 122 122 ILE N N 127.047 . 1 1383 123 123 THR H H 9.083 . 1 1384 123 123 THR HA H 5.549 . 1 1385 123 123 THR HB H 3.889 . 1 1386 123 123 THR HG2 H 1.115 . 1 1387 123 123 THR C C 173.705 . 1 1388 123 123 THR CA C 62.167 . 1 1389 123 123 THR CB C 70.843 . 1 1390 123 123 THR CG2 C 21.166 . 1 1391 123 123 THR N N 123.398 . 1 1392 124 124 TYR H H 9.237 . 1 1393 124 124 TYR HA H 4.971 . 1 1394 124 124 TYR HB2 H 2.885 . 1 1395 124 124 TYR HB3 H 2.352 . 1 1396 124 124 TYR HD1 H 6.670 . 1 1397 124 124 TYR HD2 H 6.670 . 1 1398 124 124 TYR HE1 H 6.288 . 1 1399 124 124 TYR HE2 H 6.288 . 1 1400 124 124 TYR C C 173.937 . 1 1401 124 124 TYR CA C 57.357 . 1 1402 124 124 TYR CB C 44.465 . 1 1403 124 124 TYR CD1 C 132.331 . 1 1404 124 124 TYR CD2 C 132.331 . 1 1405 124 124 TYR CE1 C 117.846 . 1 1406 124 124 TYR CE2 C 117.846 . 1 1407 124 124 TYR N N 126.764 . 1 1408 125 125 GLU H H 9.533 . 1 1409 125 125 GLU HA H 5.105 . 1 1410 125 125 GLU HB2 H 2.154 . 1 1411 125 125 GLU HB3 H 1.837 . 1 1412 125 125 GLU HG2 H 1.854 . 1 1413 125 125 GLU HG3 H 1.888 . 1 1414 125 125 GLU C C 175.982 . 1 1415 125 125 GLU CA C 55.250 . 1 1416 125 125 GLU CB C 33.615 . 1 1417 125 125 GLU CG C 38.093 . 1 1418 125 125 GLU N N 120.790 . 1 1419 126 126 PHE H H 10.189 . 1 1420 126 126 PHE HA H 5.556 . 1 1421 126 126 PHE HB2 H 3.124 . 1 1422 126 126 PHE HB3 H 2.743 . 1 1423 126 126 PHE HD1 H 7.484 . 1 1424 126 126 PHE HD2 H 7.484 . 1 1425 126 126 PHE HE1 H 7.232 . 1 1426 126 126 PHE HE2 H 7.232 . 1 1427 126 126 PHE HZ H 6.935 . 1 1428 126 126 PHE C C 175.458 . 1 1429 126 126 PHE CA C 56.742 . 1 1430 126 126 PHE CB C 41.424 . 1 1431 126 126 PHE CD1 C 132.703 . 1 1432 126 126 PHE CD2 C 132.703 . 1 1433 126 126 PHE CE1 C 130.658 . 1 1434 126 126 PHE CE2 C 130.658 . 1 1435 126 126 PHE CZ C 128.346 . 1 1436 126 126 PHE N N 131.984 . 1 1437 127 127 THR H H 9.046 . 1 1438 127 127 THR HA H 4.852 . 1 1439 127 127 THR HB H 4.070 . 1 1440 127 127 THR HG2 H 1.030 . 1 1441 127 127 THR C C 174.516 . 1 1442 127 127 THR CA C 62.940 . 1 1443 127 127 THR CB C 68.712 . 1 1444 127 127 THR CG2 C 21.024 . 1 1445 127 127 THR N N 121.129 . 1 1446 128 128 VAL H H 9.434 . 1 1447 128 128 VAL HA H 4.114 . 1 1448 128 128 VAL HB H 1.519 . 1 1449 128 128 VAL HG1 H -0.093 . 1 1450 128 128 VAL HG2 H -0.281 . 1 1451 128 128 VAL C C 172.620 . 1 1452 128 128 VAL CA C 59.095 . 1 1453 128 128 VAL CB C 33.081 . 1 1454 128 128 VAL CG1 C 22.754 . 1 1455 128 128 VAL CG2 C 18.755 . 1 1456 128 128 VAL N N 130.103 . 1 1457 129 129 PRO HA H 4.796 . 1 1458 129 129 PRO HB2 H 1.969 . 1 1459 129 129 PRO HB3 H 2.301 . 1 1460 129 129 PRO HG2 H 1.939 . 1 1461 129 129 PRO HG3 H 1.984 . 1 1462 129 129 PRO HD2 H 3.727 . 1 1463 129 129 PRO HD3 H 3.505 . 1 1464 129 129 PRO C C 175.365 . 1 1465 129 129 PRO CA C 62.045 . 1 1466 129 129 PRO CB C 32.670 . 1 1467 129 129 PRO CG C 27.888 . 1 1468 129 129 PRO CD C 50.458 . 1 1469 130 130 THR H H 8.285 . 1 1470 130 130 THR HA H 4.875 . 1 1471 130 130 THR HB H 4.393 . 1 1472 130 130 THR HG2 H 1.097 . 1 1473 130 130 THR C C 178.031 . 1 1474 130 130 THR CA C 60.149 . 1 1475 130 130 THR CB C 71.958 . 1 1476 130 130 THR CG2 C 22.123 . 1 1477 130 130 THR N N 108.825 . 1 1478 131 131 LEU H H 8.883 . 1 1479 131 131 LEU HA H 4.397 . 1 1480 131 131 LEU HB2 H 1.652 . 1 1481 131 131 LEU HB3 H 1.652 . 1 1482 131 131 LEU HG H 1.425 . 1 1483 131 131 LEU HD1 H 0.842 . 1 1484 131 131 LEU HD2 H 0.830 . 1 1485 131 131 LEU C C 177.892 . 1 1486 131 131 LEU CA C 55.864 . 1 1487 131 131 LEU CB C 42.410 . 1 1488 131 131 LEU CG C 27.830 . 1 1489 131 131 LEU CD1 C 22.913 . 1 1490 131 131 LEU CD2 C 25.280 . 1 1491 131 131 LEU N N 119.148 . 1 1492 132 132 ASP H H 8.065 . 1 1493 132 132 ASP HA H 4.749 . 1 1494 132 132 ASP HB2 H 3.059 . 1 1495 132 132 ASP HB3 H 2.531 . 1 1496 132 132 ASP C C 177.124 . 1 1497 132 132 ASP CA C 53.055 . 1 1498 132 132 ASP CB C 41.579 . 1 1499 132 132 ASP N N 115.799 . 1 1500 133 133 GLY H H 7.712 . 1 1501 133 133 GLY HA2 H 4.199 . 1 1502 133 133 GLY HA3 H 3.722 . 1 1503 133 133 GLY C C 174.656 . 1 1504 133 133 GLY CA C 45.527 . 1 1505 133 133 GLY N N 109.049 . 1 1506 134 134 SER H H 7.976 . 1 1507 134 134 SER HA H 4.573 . 1 1508 134 134 SER HB2 H 4.116 . 1 1509 134 134 SER HB3 H 3.937 . 1 1510 134 134 SER C C 171.797 . 1 1511 134 134 SER CA C 58.674 . 1 1512 134 134 SER CB C 61.027 . 1 1513 134 134 SER N N 118.849 . 1 1514 135 135 PRO HA H 4.321 . 1 1515 135 135 PRO HB2 H 1.808 . 1 1516 135 135 PRO HB3 H 2.364 . 1 1517 135 135 PRO HG2 H 2.134 . 1 1518 135 135 PRO HG3 H 1.986 . 1 1519 135 135 PRO HD2 H 3.876 . 1 1520 135 135 PRO HD3 H 3.623 . 1 1521 135 135 PRO C C 175.431 . 1 1522 135 135 PRO CA C 64.258 . 1 1523 135 135 PRO CB C 32.095 . 1 1524 135 135 PRO CG C 27.985 . 1 1525 135 135 PRO CD C 50.646 . 1 1526 136 136 SER H H 8.334 . 1 1527 136 136 SER HA H 4.325 . 1 1528 136 136 SER HB2 H 3.569 . 1 1529 136 136 SER HB3 H 3.507 . 1 1530 136 136 SER C C 173.230 . 1 1531 136 136 SER CA C 59.236 . 1 1532 136 136 SER CB C 63.621 . 1 1533 136 136 SER N N 116.443 . 1 1534 137 137 ALA H H 8.510 . 1 1535 137 137 ALA HA H 4.484 . 1 1536 137 137 ALA HB H 1.271 . 1 1537 137 137 ALA C C 176.483 . 1 1538 137 137 ALA CA C 50.817 . 1 1539 137 137 ALA CB C 21.492 . 1 1540 137 137 ALA N N 126.580 . 1 1541 138 138 LYS H H 8.413 . 1 1542 138 138 LYS HA H 5.425 . 1 1543 138 138 LYS HB2 H 1.795 . 1 1544 138 138 LYS HB3 H 1.553 . 1 1545 138 138 LYS HG2 H 1.330 . 1 1546 138 138 LYS HG3 H 1.427 . 1 1547 138 138 LYS HD2 H 1.476 . 1 1548 138 138 LYS HD3 H 1.657 . 1 1549 138 138 LYS HE2 H 2.886 . 1 1550 138 138 LYS HE3 H 2.886 . 1 1551 138 138 LYS C C 177.756 . 1 1552 138 138 LYS CA C 54.389 . 1 1553 138 138 LYS CB C 33.656 . 1 1554 138 138 LYS CG C 24.514 . 1 1555 138 138 LYS CD C 28.935 . 1 1556 138 138 LYS CE C 42.289 . 1 1557 138 138 LYS N N 119.894 . 1 1558 139 139 ARG H H 9.220 . 1 1559 139 139 ARG HA H 4.972 . 1 1560 139 139 ARG HB2 H 2.175 . 1 1561 139 139 ARG HB3 H 1.852 . 1 1562 139 139 ARG HG2 H 1.306 . 1 1563 139 139 ARG HG3 H 1.793 . 1 1564 139 139 ARG HD2 H 3.563 . 1 1565 139 139 ARG HD3 H 3.455 . 1 1566 139 139 ARG HE H 7.455 . 1 1567 139 139 ARG C C 175.285 . 1 1568 139 139 ARG CA C 52.914 . 1 1569 139 139 ARG CB C 34.191 . 1 1570 139 139 ARG CG C 26.526 . 1 1571 139 139 ARG CD C 42.770 . 1 1572 139 139 ARG N N 124.235 . 1 1573 139 139 ARG NE N 84.783 . 1 1574 140 140 LYS H H 9.188 . 1 1575 140 140 LYS HA H 5.289 . 1 1576 140 140 LYS HB2 H 1.889 . 1 1577 140 140 LYS HB3 H 1.678 . 1 1578 140 140 LYS HG2 H 1.221 . 1 1579 140 140 LYS HG3 H 1.673 . 1 1580 140 140 LYS HD2 H 1.704 . 1 1581 140 140 LYS HD3 H 1.704 . 1 1582 140 140 LYS HE2 H 2.955 . 1 1583 140 140 LYS HE3 H 2.955 . 1 1584 140 140 LYS C C 176.376 . 1 1585 140 140 LYS CA C 56.479 . 1 1586 140 140 LYS CB C 33.739 . 1 1587 140 140 LYS CG C 26.200 . 1 1588 140 140 LYS CD C 29.396 . 1 1589 140 140 LYS CE C 41.919 . 1 1590 140 140 LYS N N 125.725 . 1 1591 141 141 VAL H H 9.375 . 1 1592 141 141 VAL HA H 4.120 . 1 1593 141 141 VAL HB H 2.040 . 1 1594 141 141 VAL HG1 H 0.192 . 1 1595 141 141 VAL HG2 H 0.770 . 1 1596 141 141 VAL C C 173.359 . 1 1597 141 141 VAL CA C 62.256 . 1 1598 141 141 VAL CB C 35.506 . 1 1599 141 141 VAL CG1 C 21.926 . 1 1600 141 141 VAL CG2 C 21.934 . 1 1601 141 141 VAL N N 126.004 . 1 1602 142 142 THR H H 9.058 . 1 1603 142 142 THR HA H 5.073 . 1 1604 142 142 THR HB H 3.943 . 1 1605 142 142 THR HG2 H 1.169 . 1 1606 142 142 THR C C 171.844 . 1 1607 142 142 THR CA C 62.572 . 1 1608 142 142 THR CB C 69.944 . 1 1609 142 142 THR CG2 C 22.699 . 1 1610 142 142 THR N N 125.246 . 1 1611 143 143 PHE H H 9.772 . 1 1612 143 143 PHE HA H 5.582 . 1 1613 143 143 PHE HB2 H 3.098 . 1 1614 143 143 PHE HB3 H 2.961 . 1 1615 143 143 PHE HD1 H 7.167 . 1 1616 143 143 PHE HD2 H 7.167 . 1 1617 143 143 PHE HE1 H 7.153 . 1 1618 143 143 PHE HE2 H 7.153 . 1 1619 143 143 PHE HZ H 7.190 . 1 1620 143 143 PHE C C 174.975 . 1 1621 143 143 PHE CA C 55.609 . 1 1622 143 143 PHE CB C 42.205 . 1 1623 143 143 PHE CD1 C 132.845 . 1 1624 143 143 PHE CD2 C 132.845 . 1 1625 143 143 PHE CE1 C 130.696 . 1 1626 143 143 PHE CE2 C 130.696 . 1 1627 143 143 PHE CZ C 128.953 . 1 1628 143 143 PHE N N 127.006 . 1 1629 144 144 VAL H H 9.675 . 1 1630 144 144 VAL HA H 5.329 . 1 1631 144 144 VAL HB H 1.810 . 1 1632 144 144 VAL HG1 H 0.948 . 1 1633 144 144 VAL HG2 H 0.998 . 1 1634 144 144 VAL C C 174.885 . 1 1635 144 144 VAL CA C 59.900 . 1 1636 144 144 VAL CB C 36.807 . 1 1637 144 144 VAL CG1 C 21.181 . 1 1638 144 144 VAL CG2 C 21.936 . 1 1639 144 144 VAL N N 121.501 . 1 1640 145 145 LYS H H 7.994 . 1 1641 145 145 LYS HA H 4.210 . 1 1642 145 145 LYS HB2 H 1.149 . 1 1643 145 145 LYS HB3 H 0.118 . 1 1644 145 145 LYS HG2 H -0.028 . 1 1645 145 145 LYS HG3 H 0.384 . 1 1646 145 145 LYS HD2 H 0.870 . 1 1647 145 145 LYS HD3 H 0.870 . 1 1648 145 145 LYS HE2 H 2.037 . 1 1649 145 145 LYS HE3 H 2.118 . 1 1650 145 145 LYS C C 175.621 . 1 1651 145 145 LYS CA C 55.285 . 1 1652 145 145 LYS CB C 31.068 . 1 1653 145 145 LYS CG C 24.199 . 1 1654 145 145 LYS CD C 28.659 . 1 1655 145 145 LYS CE C 41.042 . 1 1656 145 145 LYS N N 127.364 . 1 1657 146 146 GLU H H 8.978 . 1 1658 146 146 GLU HA H 4.419 . 1 1659 146 146 GLU HB2 H 1.806 . 1 1660 146 146 GLU HB3 H 1.806 . 1 1661 146 146 GLU HG2 H 2.242 . 1 1662 146 146 GLU HG3 H 1.950 . 1 1663 146 146 GLU C C 175.018 . 1 1664 146 146 GLU CA C 55.527 . 1 1665 146 146 GLU CB C 33.574 . 1 1666 146 146 GLU CG C 37.772 . 1 1667 146 146 GLU N N 129.737 . 1 1668 147 147 ASN HA H 4.301 . 1 1669 147 147 ASN HB2 H 3.079 . 1 1670 147 147 ASN HB3 H 2.701 . 1 1671 147 147 ASN HD21 H 7.595 . 1 1672 147 147 ASN HD22 H 6.878 . 1 1673 147 147 ASN C C 174.445 . 1 1674 147 147 ASN CA C 54.635 . 1 1675 147 147 ASN CB C 37.279 . 1 1676 147 147 ASN ND2 N 112.386 . 1 1677 148 148 LYS H H 8.543 . 1 1678 148 148 LYS HA H 3.504 . 1 1679 148 148 LYS HB2 H 1.965 . 1 1680 148 148 LYS HB3 H 2.120 . 1 1681 148 148 LYS HG2 H 1.289 . 1 1682 148 148 LYS HG3 H 1.289 . 1 1683 148 148 LYS HD2 H 1.605 . 1 1684 148 148 LYS HD3 H 1.674 . 1 1685 148 148 LYS HE2 H 2.973 . 1 1686 148 148 LYS HE3 H 2.973 . 1 1687 148 148 LYS C C 174.878 . 1 1688 148 148 LYS CA C 58.221 . 1 1689 148 148 LYS CB C 30.328 . 1 1690 148 148 LYS CG C 25.620 . 1 1691 148 148 LYS CD C 29.211 . 1 1692 148 148 LYS CE C 42.382 . 1 1693 148 148 LYS N N 108.127 . 1 1694 149 149 LYS H H 7.560 . 1 1695 149 149 LYS HA H 4.638 . 1 1696 149 149 LYS HB2 H 1.843 . 1 1697 149 149 LYS HB3 H 1.661 . 1 1698 149 149 LYS HG2 H 1.461 . 1 1699 149 149 LYS HG3 H 1.461 . 1 1700 149 149 LYS HD2 H 1.774 . 1 1701 149 149 LYS HD3 H 1.774 . 1 1702 149 149 LYS HE2 H 3.098 . 1 1703 149 149 LYS HE3 H 3.098 . 1 1704 149 149 LYS C C 174.921 . 1 1705 149 149 LYS CA C 54.319 . 1 1706 149 149 LYS CB C 35.696 . 1 1707 149 149 LYS CG C 24.369 . 1 1708 149 149 LYS CD C 29.136 . 1 1709 149 149 LYS CE C 42.395 . 1 1710 149 149 LYS N N 120.449 . 1 1711 150 150 TRP H H 8.467 . 1 1712 150 150 TRP HA H 4.575 . 1 1713 150 150 TRP HB2 H 3.019 . 1 1714 150 150 TRP HB3 H 2.833 . 1 1715 150 150 TRP HD1 H 7.251 . 1 1716 150 150 TRP HE1 H 9.732 . 1 1717 150 150 TRP HE3 H 7.260 . 1 1718 150 150 TRP HZ2 H 7.480 . 1 1719 150 150 TRP HZ3 H 7.135 . 1 1720 150 150 TRP HH2 H 7.098 . 1 1721 150 150 TRP C C 175.159 . 1 1722 150 150 TRP CA C 58.112 . 1 1723 150 150 TRP CB C 30.731 . 1 1724 150 150 TRP CD1 C 127.454 . 1 1725 150 150 TRP CE3 C 119.773 . 1 1726 150 150 TRP CZ2 C 114.785 . 1 1727 150 150 TRP CZ3 C 123.249 . 1 1728 150 150 TRP CH2 C 124.716 . 1 1729 150 150 TRP N N 123.471 . 1 1730 150 150 TRP NE1 N 127.335 . 1 1731 151 151 LYS H H 9.025 . 1 1732 151 151 LYS HA H 4.800 . 1 1733 151 151 LYS HB2 H 1.476 . 1 1734 151 151 LYS HB3 H 1.582 . 1 1735 151 151 LYS HG2 H 1.383 . 1 1736 151 151 LYS HG3 H 1.085 . 1 1737 151 151 LYS HD2 H 1.087 . 1 1738 151 151 LYS HD3 H 1.583 . 1 1739 151 151 LYS HE2 H 2.800 . 1 1740 151 151 LYS HE3 H 2.998 . 1 1741 151 151 LYS C C 175.256 . 1 1742 151 151 LYS CA C 54.758 . 1 1743 151 151 LYS CB C 38.424 . 1 1744 151 151 LYS CG C 25.602 . 1 1745 151 151 LYS CD C 30.297 . 1 1746 151 151 LYS CE C 42.850 . 1 1747 151 151 LYS N N 120.903 . 1 1748 152 152 VAL H H 9.118 . 1 1749 152 152 VAL HA H 4.065 . 1 1750 152 152 VAL HB H 1.941 . 1 1751 152 152 VAL HG1 H 1.095 . 1 1752 152 152 VAL HG2 H 0.743 . 1 1753 152 152 VAL C C 177.474 . 1 1754 152 152 VAL CA C 63.748 . 1 1755 152 152 VAL CB C 31.889 . 1 1756 152 152 VAL CG1 C 23.133 . 1 1757 152 152 VAL CG2 C 23.292 . 1 1758 152 152 VAL N N 122.635 . 1 1759 153 153 ASN H H 8.181 . 1 1760 153 153 ASN HA H 5.109 . 1 1761 153 153 ASN HB2 H 2.970 . 1 1762 153 153 ASN HB3 H 2.600 . 1 1763 153 153 ASN HD21 H 6.957 . 1 1764 153 153 ASN HD22 H 7.560 . 1 1765 153 153 ASN C C 174.636 . 1 1766 153 153 ASN CA C 53.266 . 1 1767 153 153 ASN CB C 40.219 . 1 1768 153 153 ASN N N 124.103 . 1 1769 153 153 ASN ND2 N 111.534 . 1 1770 154 154 GLN H H 7.120 . 1 1771 154 154 GLN HA H 4.502 . 1 1772 154 154 GLN HB2 H 2.091 . 1 1773 154 154 GLN HB3 H 1.922 . 1 1774 154 154 GLN HG2 H 2.406 . 1 1775 154 154 GLN HG3 H 2.489 . 1 1776 154 154 GLN HE21 H 6.863 . 1 1777 154 154 GLN HE22 H 7.646 . 1 1778 154 154 GLN C C 174.880 . 1 1779 154 154 GLN CA C 55.846 . 1 1780 154 154 GLN CB C 31.710 . 1 1781 154 154 GLN CG C 32.996 . 1 1782 154 154 GLN N N 118.574 . 1 1783 154 154 GLN NE2 N 112.208 . 1 1784 155 155 PHE H H 9.697 . 1 1785 155 155 PHE HA H 3.650 . 1 1786 155 155 PHE HB2 H 2.947 . 1 1787 155 155 PHE HB3 H 2.593 . 1 1788 155 155 PHE HD1 H 6.430 . 1 1789 155 155 PHE HD2 H 6.430 . 1 1790 155 155 PHE HE1 H 6.921 . 1 1791 155 155 PHE HE2 H 6.921 . 1 1792 155 155 PHE HZ H 6.833 . 1 1793 155 155 PHE C C 172.136 . 1 1794 155 155 PHE CA C 57.638 . 1 1795 155 155 PHE CB C 40.479 . 1 1796 155 155 PHE CD1 C 130.963 . 1 1797 155 155 PHE CD2 C 130.963 . 1 1798 155 155 PHE CE1 C 131.349 . 1 1799 155 155 PHE CE2 C 131.349 . 1 1800 155 155 PHE CZ C 129.257 . 1 1801 155 155 PHE N N 128.540 . 1 1802 156 156 ASP H H 8.152 . 1 1803 156 156 ASP HA H 3.575 . 1 1804 156 156 ASP HB2 H 2.713 . 1 1805 156 156 ASP HB3 H 2.060 . 1 1806 156 156 ASP C C 174.903 . 1 1807 156 156 ASP CA C 50.264 . 1 1808 156 156 ASP CB C 39.449 . 1 1809 156 156 ASP N N 109.387 . 1 1810 157 157 ALA H H 7.007 . 1 1811 157 157 ALA HA H 3.965 . 1 1812 157 157 ALA HB H 1.476 . 1 1813 157 157 ALA C C 177.934 . 1 1814 157 157 ALA CA C 54.617 . 1 1815 157 157 ALA CB C 20.999 . 1 1816 157 157 ALA N N 119.498 . 1 1817 158 158 VAL H H 8.468 . 1 1818 158 158 VAL HA H 3.529 . 1 1819 158 158 VAL HB H 1.544 . 1 1820 158 158 VAL HG1 H -1.128 . 1 1821 158 158 VAL HG2 H 0.228 . 1 1822 158 158 VAL C C 172.826 . 1 1823 158 158 VAL CA C 60.281 . 1 1824 158 158 VAL CB C 30.743 . 1 1825 158 158 VAL CG1 C 18.920 . 1 1826 158 158 VAL CG2 C 19.138 . 1 1827 158 158 VAL N N 117.948 . 1 1828 159 159 ILE H H 7.093 . 1 1829 159 159 ILE HA H 4.183 . 1 1830 159 159 ILE HB H 1.611 . 1 1831 159 159 ILE HG12 H 1.142 . 1 1832 159 159 ILE HG13 H 0.372 . 1 1833 159 159 ILE HG2 H 0.188 . 1 1834 159 159 ILE HD1 H 0.656 . 1 1835 159 159 ILE C C 182.236 . 1 1836 159 159 ILE CA C 62.783 . 1 1837 159 159 ILE CB C 40.807 . 1 1838 159 159 ILE CG1 C 25.896 . 1 1839 159 159 ILE CG2 C 17.239 . 1 1840 159 159 ILE CD1 C 14.159 . 1 1841 159 159 ILE N N 124.646 . 1 stop_ save_