data_4045 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the C-Terminal Single-Stranded DNA-Binding Domain of Escherichia Coli Topoisomerase I ; _BMRB_accession_number 4045 _BMRB_flat_file_name bmr4045.str _Entry_type update _Submission_date 1997-07-17 _Accession_date 1997-07-17 _Entry_origination BMRB _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 Yu Liping . . 2 Zhu Chang-Xi . . 3 Tse-Dinh Yuk-Ching . . 4 Fesik Stephen W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 441 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-15 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Yu, L., Zhu, C-X., Tse-Dinh, Y-C., and Fesik, S. W., "Solution Structure of the C-Terminal Single-Stranded DNA-Binding Domain of Escherichia coli Topoisomerase I," Biochemistry 34, 7622-7628 (1995). ; _Citation_title ; Solution Structure of the C-Terminal Single-Stranded DNA-Binding Domain of Escherichia coli Topoisomerase I ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 95298771 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Liping . . 2 Zhu Chang-Xi . . 3 Tse-Dinh Yuk-Ching . . 4 Fesik Stephen W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 34 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7622 _Page_last 7628 _Year 1995 _Details . loop_ _Keyword 'DNA Topoisomerase I' NMR 'nuclear magnetic resonance' protein 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_DNA_Topoisomerase_I _Saveframe_category molecular_system _Mol_system_name 'DNA Topoisomerase I' _Abbreviation_common 'DNA TopoI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA Topoisomerase I' $DNA_TopoI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DNA_TopoI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DNA Topoisomerase I' _Abbreviation_common 'DNA TopoI' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MNGEVAPPKEDPVPLPELPC EKSDAYFVLRDGAAGVFLAA NTFPKSRETRAPLVEELYRF RDRLPEKLRYLADAPQQDPE GNKTMVRFSRKTKQQYVSSE KDGKATGWSAFYVDGKWVEG KK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 GLY 4 4 GLU 5 5 VAL 6 6 ALA 7 7 PRO 8 8 PRO 9 9 LYS 10 10 GLU 11 11 ASP 12 12 PRO 13 13 VAL 14 14 PRO 15 15 LEU 16 16 PRO 17 17 GLU 18 18 LEU 19 19 PRO 20 20 CYS 21 21 GLU 22 22 LYS 23 23 SER 24 24 ASP 25 25 ALA 26 26 TYR 27 27 PHE 28 28 VAL 29 29 LEU 30 30 ARG 31 31 ASP 32 32 GLY 33 33 ALA 34 34 ALA 35 35 GLY 36 36 VAL 37 37 PHE 38 38 LEU 39 39 ALA 40 40 ALA 41 41 ASN 42 42 THR 43 43 PHE 44 44 PRO 45 45 LYS 46 46 SER 47 47 ARG 48 48 GLU 49 49 THR 50 50 ARG 51 51 ALA 52 52 PRO 53 53 LEU 54 54 VAL 55 55 GLU 56 56 GLU 57 57 LEU 58 58 TYR 59 59 ARG 60 60 PHE 61 61 ARG 62 62 ASP 63 63 ARG 64 64 LEU 65 65 PRO 66 66 GLU 67 67 LYS 68 68 LEU 69 69 ARG 70 70 TYR 71 71 LEU 72 72 ALA 73 73 ASP 74 74 ALA 75 75 PRO 76 76 GLN 77 77 GLN 78 78 ASP 79 79 PRO 80 80 GLU 81 81 GLY 82 82 ASN 83 83 LYS 84 84 THR 85 85 MET 86 86 VAL 87 87 ARG 88 88 PHE 89 89 SER 90 90 ARG 91 91 LYS 92 92 THR 93 93 LYS 94 94 GLN 95 95 GLN 96 96 TYR 97 97 VAL 98 98 SER 99 99 SER 100 100 GLU 101 101 LYS 102 102 ASP 103 103 GLY 104 104 LYS 105 105 ALA 106 106 THR 107 107 GLY 108 108 TRP 109 109 SER 110 110 ALA 111 111 PHE 112 112 TYR 113 113 VAL 114 114 ASP 115 115 GLY 116 116 LYS 117 117 TRP 118 118 VAL 119 119 GLU 120 120 GLY 121 121 LYS 122 122 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YUA "C-Terminal Domain Of Escherichia Coli Topoisomerase I" 100.00 122 100.00 100.00 1.81e-82 PDB 4RUL "Crystal Structure Of Full-length E.coli Topoisomerase I In Complex With Ssdna" 99.18 867 100.00 100.00 4.84e-76 DBJ BAA14811 "DNA topoisomerase I, omega subunit [Escherichia coli str. K12 substr. W3110]" 99.18 865 100.00 100.00 3.90e-76 DBJ BAB35269 "DNA topoisomerase type I omega protein [Escherichia coli O157:H7 str. Sakai]" 99.18 865 100.00 100.00 4.28e-76 DBJ BAG76846 "DNA topoisomerase I [Escherichia coli SE11]" 99.18 865 100.00 100.00 3.90e-76 DBJ BAI25122 "DNA topoisomerase I, omega subunit [Escherichia coli O26:H11 str. 11368]" 99.18 865 100.00 100.00 3.90e-76 DBJ BAI30265 "DNA topoisomerase I, omega subunit [Escherichia coli O103:H2 str. 12009]" 99.18 865 100.00 100.00 4.28e-76 EMBL CAA28164 "unnamed protein product [Escherichia coli]" 99.18 865 100.00 100.00 3.90e-76 EMBL CAP75818 "DNA topoisomerase 1 [Escherichia coli LF82]" 99.18 865 100.00 100.00 4.28e-76 EMBL CAQ31777 "DNA topoisomerase I [Escherichia coli BL21(DE3)]" 99.18 865 100.00 100.00 3.90e-76 EMBL CAQ98153 "DNA topoisomerase I, omega subunit [Escherichia coli IAI1]" 99.18 865 100.00 100.00 3.90e-76 EMBL CAR02734 "DNA topoisomerase I, omega subunit [Escherichia coli S88]" 99.18 865 100.00 100.00 4.28e-76 GB AAA23641 "DNA topoisomerase I, partial [Escherichia coli]" 99.18 168 99.17 99.17 4.21e-80 GB AAC74356 "DNA topoisomerase I, omega subunit [Escherichia coli str. K-12 substr. MG1655]" 99.18 865 100.00 100.00 3.90e-76 GB AAG56541 "DNA topoisomerase type I, omega protein [Escherichia coli O157:H7 str. EDL933]" 99.18 865 100.00 100.00 4.28e-76 GB AAN42888 "DNA topoisomerase type I, omega protein [Shigella flexneri 2a str. 301]" 99.18 865 99.17 100.00 9.01e-76 GB AAN80207 "DNA topoisomerase I [Escherichia coli CFT073]" 99.18 879 100.00 100.00 4.64e-76 REF NP_309873 "DNA topoisomerase I [Escherichia coli O157:H7 str. Sakai]" 99.18 865 100.00 100.00 4.28e-76 REF NP_415790 "DNA topoisomerase I, omega subunit [Escherichia coli str. K-12 substr. MG1655]" 99.18 865 100.00 100.00 3.90e-76 REF NP_707181 "DNA topoisomerase I subunit omega [Shigella flexneri 2a str. 301]" 99.18 865 99.17 100.00 9.01e-76 REF WP_000317025 "DNA topoisomerase I, partial [Escherichia coli]" 99.18 627 100.00 100.00 1.79e-77 REF WP_000513607 "DNA topoisomerase I, partial [Escherichia coli]" 68.03 827 100.00 100.00 8.66e-48 SP P06612 "RecName: Full=DNA topoisomerase 1; AltName: Full=DNA topoisomerase I; AltName: Full=Omega-protein; AltName: Full=Relaxing enzym" 99.18 865 100.00 100.00 3.90e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DNA_TopoI 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $DNA_TopoI 'recombinant technology' 'E. coli' Escherichia coli . . ; The 14 K fragment of E. coli DNA topoisomeraseI was cloned, expressed and purified as described in: Zhu, C.X., Samuel, M., Pound, A., Ahumada, A., and Tse-Dinh, Y.C., Biochem. Mol. Biol. Int. 35, 375-385 (1995). ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_Topoisomerase_I 3 mM [U-15N] dithiothreitol-d10 5 mM . KH2PO4 200 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_Topoisomerase_I 3 mM '[U-13C; U-15N]' dithiothreitol-d10 5 mM . KH2PO4 200 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference_one _Mol_system_component_name 'DNA Topoisomerase I' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.23 . 1 2 . 1 MET HB2 H 2.10 . 1 3 . 1 MET HB3 H 2.10 . 1 4 . 1 MET HG2 H 2.59 . 1 5 . 1 MET HG3 H 2.59 . 1 6 . 1 MET HE H 2.05 . 1 7 . 1 MET CA C 56.1 . 1 8 . 1 MET CB C 34.8 . 1 9 . 1 MET CG C 30.7 . 1 10 . 1 MET CE C 16.7 . 1 11 . 2 ASN HA H 4.02 . 1 12 . 2 ASN HB2 H 2.89 . 2 13 . 2 ASN HB3 H 3.00 . 2 14 . 2 ASN CA C 53.7 . 1 15 . 2 ASN CB C 37.8 . 1 16 . 3 GLY H H 8.34 . 1 17 . 3 GLY HA2 H 3.93 . 1 18 . 3 GLY HA3 H 3.93 . 1 19 . 3 GLY CA C 45.3 . 1 20 . 3 GLY N N 114.2 . 1 21 . 4 GLU H H 8.44 . 1 22 . 4 GLU HA H 4.29 . 1 23 . 4 GLU HB2 H 1.93 . 2 24 . 4 GLU HB3 H 2.01 . 2 25 . 4 GLU HG2 H 2.24 . 1 26 . 4 GLU HG3 H 2.24 . 1 27 . 4 GLU CA C 56.7 . 1 28 . 4 GLU CB C 30.1 . 1 29 . 4 GLU CG C 36.2 . 1 30 . 4 GLU N N 120.9 . 1 31 . 5 VAL H H 8.16 . 1 32 . 5 VAL HA H 4.09 . 1 33 . 5 VAL HB H 2.03 . 1 34 . 5 VAL HG1 H 0.91 . 1 35 . 5 VAL HG2 H 0.91 . 1 36 . 5 VAL CA C 63.0 . 1 37 . 5 VAL CB C 32.6 . 1 38 . 5 VAL CG1 C 20.6 . 1 39 . 5 VAL CG2 C 20.6 . 1 40 . 5 VAL N N 121.4 . 1 41 . 6 ALA H H 8.31 . 1 42 . 6 ALA HA H 4.60 . 1 43 . 6 ALA HB H 1.36 . 1 44 . 6 ALA CA C 50.3 . 1 45 . 6 ALA CB C 18.1 . 1 46 . 6 ALA N N 129.4 . 1 47 . 7 PRO HA H 4.69 . 1 48 . 7 PRO HB2 H 1.89 . 2 49 . 7 PRO HB3 H 2.35 . 2 50 . 7 PRO HG2 H 2.03 . 1 51 . 7 PRO HG3 H 2.03 . 1 52 . 7 PRO HD2 H 3.62 . 2 53 . 7 PRO HD3 H 3.82 . 2 54 . 7 PRO CA C 61.1 . 1 55 . 7 PRO CB C 30.7 . 1 56 . 7 PRO CG C 27.1 . 1 57 . 7 PRO CD C 50.1 . 1 58 . 8 PRO HA H 4.41 . 1 59 . 8 PRO HB2 H 1.90 . 2 60 . 8 PRO HB3 H 2.29 . 2 61 . 8 PRO HG2 H 2.01 . 1 62 . 8 PRO HG3 H 2.01 . 1 63 . 8 PRO HD2 H 3.62 . 2 64 . 8 PRO HD3 H 3.81 . 2 65 . 8 PRO CA C 63.0 . 1 66 . 8 PRO CB C 32.1 . 1 67 . 8 PRO CG C 27.1 . 1 68 . 8 PRO CD C 50.1 . 1 69 . 9 LYS H H 8.34 . 1 70 . 9 LYS HA H 4.27 . 1 71 . 9 LYS HB2 H 1.75 . 2 72 . 9 LYS HB3 H 1.83 . 2 73 . 9 LYS HG2 H 1.43 . 1 74 . 9 LYS HG3 H 1.43 . 1 75 . 9 LYS HD2 H 1.66 . 1 76 . 9 LYS HD3 H 1.66 . 1 77 . 9 LYS HE2 H 2.97 . 1 78 . 9 LYS HE3 H 2.97 . 1 79 . 9 LYS CA C 56.2 . 1 80 . 9 LYS CB C 32.9 . 1 81 . 9 LYS CG C 24.4 . 1 82 . 9 LYS CD C 28.8 . 1 83 . 9 LYS CE C 41.6 . 1 84 . 9 LYS N N 121.6 . 1 85 . 10 GLU H H 8.59 . 1 86 . 10 GLU HA H 4.34 . 1 87 . 10 GLU HB2 H 1.83 . 2 88 . 10 GLU HB3 H 2.02 . 2 89 . 10 GLU HG2 H 2.24 . 1 90 . 10 GLU HG3 H 2.24 . 1 91 . 10 GLU CA C 55.7 . 1 92 . 10 GLU CB C 30.4 . 1 93 . 10 GLU CG C 36.2 . 1 94 . 10 GLU N N 122.0 . 1 95 . 11 ASP H H 8.47 . 1 96 . 11 ASP HA H 4.87 . 1 97 . 11 ASP HB2 H 2.48 . 2 98 . 11 ASP HB3 H 2.70 . 2 99 . 11 ASP CA C 52.9 . 1 100 . 11 ASP CB C 40.0 . 1 101 . 11 ASP N N 123.3 . 1 102 . 12 PRO HA H 4.55 . 1 103 . 12 PRO HB2 H 1.62 . 2 104 . 12 PRO HB3 H 1.98 . 2 105 . 12 PRO HG2 H 1.90 . 2 106 . 12 PRO HG3 H 1.98 . 2 107 . 12 PRO HD2 H 3.66 . 2 108 . 12 PRO HD3 H 3.81 . 2 109 . 12 PRO CA C 62.4 . 1 110 . 12 PRO CB C 32.6 . 1 111 . 12 PRO CG C 27.1 . 1 112 . 12 PRO CD C 50.4 . 1 113 . 13 VAL H H 8.46 . 1 114 . 13 VAL HA H 4.52 . 1 115 . 13 VAL HB H 2.12 . 1 116 . 13 VAL HG1 H 0.81 . 2 117 . 13 VAL HG2 H 1.02 . 2 118 . 13 VAL CA C 59.4 . 1 119 . 13 VAL CB C 33.7 . 1 120 . 13 VAL CG1 C 20.8 . 2 121 . 13 VAL CG2 C 20.6 . 2 122 . 13 VAL N N 121.9 . 1 123 . 14 PRO HA H 4.50 . 1 124 . 14 PRO HB2 H 2.01 . 2 125 . 14 PRO HB3 H 2.49 . 2 126 . 14 PRO HG2 H 2.01 . 2 127 . 14 PRO HG3 H 2.26 . 2 128 . 14 PRO HD2 H 3.81 . 2 129 . 14 PRO HD3 H 3.98 . 2 130 . 14 PRO CA C 63.8 . 1 131 . 14 PRO CB C 32.6 . 1 132 . 14 PRO CG C 27.4 . 1 133 . 14 PRO CD C 50.9 . 1 134 . 15 LEU H H 8.44 . 1 135 . 15 LEU HA H 4.36 . 1 136 . 15 LEU HB2 H 0.60 . 2 137 . 15 LEU HB3 H 1.96 . 2 138 . 15 LEU HG H 1.52 . 1 139 . 15 LEU HD1 H 0.19 . 2 140 . 15 LEU HD2 H 0.55 . 2 141 . 15 LEU CA C 51.9 . 1 142 . 15 LEU CB C 41.1 . 1 143 . 15 LEU CG C 24.7 . 1 144 . 15 LEU CD1 C 23.3 . 2 145 . 15 LEU CD2 C 26.9 . 2 146 . 15 LEU N N 122.6 . 1 147 . 16 PRO HA H 3.40 . 1 148 . 16 PRO HB2 H 1.00 . 2 149 . 16 PRO HB3 H 1.34 . 2 150 . 16 PRO HG2 H 1.30 . 2 151 . 16 PRO HG3 H 1.54 . 2 152 . 16 PRO HD2 H 2.85 . 2 153 . 16 PRO HD3 H 3.33 . 2 154 . 16 PRO CA C 64.0 . 1 155 . 16 PRO CB C 30.4 . 1 156 . 16 PRO CG C 26.9 . 1 157 . 16 PRO CD C 49.6 . 1 158 . 17 GLU H H 8.90 . 1 159 . 17 GLU HA H 3.98 . 1 160 . 17 GLU HB2 H 1.86 . 2 161 . 17 GLU HB3 H 2.22 . 2 162 . 17 GLU HG2 H 2.16 . 1 163 . 17 GLU HG3 H 2.58 . 2 164 . 17 GLU CA C 58.3 . 1 165 . 17 GLU CB C 29.1 . 1 166 . 17 GLU CG C 36.7 . 1 167 . 17 GLU N N 115.9 . 1 168 . 18 LEU H H 8.57 . 1 169 . 18 LEU HA H 5.11 . 1 170 . 18 LEU HB2 H 1.88 . 2 171 . 18 LEU HB3 H 2.02 . 2 172 . 18 LEU HG H 1.63 . 1 173 . 18 LEU HD1 H 0.96 . 1 174 . 18 LEU HD2 H 0.96 . 1 175 . 18 LEU CA C 51.1 . 1 176 . 18 LEU CB C 42.5 . 1 177 . 18 LEU CG C 26.3 . 1 178 . 18 LEU CD1 C 24.1 . 2 179 . 18 LEU CD2 C 25.8 . 2 180 . 18 LEU N N 122.9 . 1 181 . 19 PRO HA H 4.59 . 1 182 . 19 PRO HB2 H 2.08 . 2 183 . 19 PRO HB3 H 2.39 . 2 184 . 19 PRO HG2 H 1.99 . 1 185 . 19 PRO HG3 H 1.99 . 1 186 . 19 PRO HD2 H 3.89 . 1 187 . 19 PRO HD3 H 3.89 . 1 188 . 19 PRO CA C 62.6 . 1 189 . 19 PRO CB C 32.6 . 1 190 . 19 PRO CG C 27.1 . 1 191 . 19 PRO CD C 50.9 . 1 192 . 20 CYS H H 7.97 . 1 193 . 20 CYS HA H 3.86 . 1 194 . 20 CYS HB2 H 2.00 . 2 195 . 20 CYS HB3 H 3.33 . 2 196 . 20 CYS CA C 59.9 . 1 197 . 20 CYS CB C 26.3 . 1 198 . 20 CYS N N 119.2 . 1 199 . 21 GLU H H 10.11 . 1 200 . 21 GLU HA H 4.32 . 1 201 . 21 GLU HB2 H 2.10 . 1 202 . 21 GLU HB3 H 2.10 . 1 203 . 21 GLU HG2 H 2.33 . 1 204 . 21 GLU HG3 H 2.38 . 2 205 . 21 GLU CA C 58.7 . 1 206 . 21 GLU CB C 31.2 . 1 207 . 21 GLU CG C 37.0 . 1 208 . 21 GLU N N 122.0 . 1 209 . 22 LYS H H 9.34 . 1 210 . 22 LYS HA H 4.43 . 1 211 . 22 LYS HB2 H 1.66 . 2 212 . 22 LYS HB3 H 1.80 . 2 213 . 22 LYS HG2 H 1.40 . 1 214 . 22 LYS HG3 H 1.40 . 1 215 . 22 LYS HD2 H 1.66 . 1 216 . 22 LYS HD3 H 1.66 . 1 217 . 22 LYS HE2 H 2.96 . 1 218 . 22 LYS HE3 H 2.96 . 1 219 . 22 LYS CA C 55.8 . 1 220 . 22 LYS CB C 33.7 . 1 221 . 22 LYS CG C 24.4 . 1 222 . 22 LYS CD C 28.8 . 1 223 . 22 LYS CE C 39.5 . 1 224 . 22 LYS N N 118.0 . 1 225 . 23 SER H H 7.49 . 1 226 . 23 SER HA H 4.48 . 1 227 . 23 SER HB2 H 3.72 . 2 228 . 23 SER HB3 H 3.87 . 2 229 . 23 SER CA C 57.6 . 1 230 . 23 SER CB C 64.4 . 1 231 . 23 SER N N 112.0 . 1 232 . 24 ASP H H 8.35 . 1 233 . 24 ASP HA H 4.66 . 1 234 . 24 ASP HB2 H 2.65 . 2 235 . 24 ASP HB3 H 2.72 . 2 236 . 24 ASP CA C 53.8 . 1 237 . 24 ASP CB C 38.9 . 1 238 . 24 ASP N N 118.3 . 1 239 . 25 ALA H H 7.49 . 1 240 . 25 ALA HA H 4.52 . 1 241 . 25 ALA HB H 1.29 . 1 242 . 25 ALA CA C 51.4 . 1 243 . 25 ALA CB C 21.4 . 1 244 . 25 ALA N N 124.1 . 1 245 . 26 TYR H H 7.82 . 1 246 . 26 TYR HA H 5.21 . 1 247 . 26 TYR HB2 H 2.71 . 2 248 . 26 TYR HB3 H 3.28 . 2 249 . 26 TYR HD1 H 7.03 . 1 250 . 26 TYR HD2 H 7.03 . 1 251 . 26 TYR HE1 H 6.53 . 1 252 . 26 TYR HE2 H 6.53 . 1 253 . 26 TYR CA C 55.5 . 1 254 . 26 TYR CB C 40.5 . 1 255 . 26 TYR CD1 C 134.7 . 1 256 . 26 TYR CD2 C 134.7 . 1 257 . 26 TYR CE1 C 117.7 . 1 258 . 26 TYR CE2 C 117.7 . 1 259 . 26 TYR N N 116.6 . 1 260 . 27 PHE H H 8.55 . 1 261 . 27 PHE HA H 4.59 . 1 262 . 27 PHE HB2 H 2.75 . 2 263 . 27 PHE HB3 H 2.92 . 2 264 . 27 PHE HD1 H 6.91 . 1 265 . 27 PHE HD2 H 6.91 . 1 266 . 27 PHE HE1 H 7.17 . 1 267 . 27 PHE HE2 H 7.17 . 1 268 . 27 PHE HZ H 7.48 . 1 269 . 27 PHE CA C 60.5 . 1 270 . 27 PHE CB C 41.6 . 1 271 . 27 PHE CD1 C 132.8 . 1 272 . 27 PHE CD2 C 132.8 . 1 273 . 27 PHE CE1 C 131.3 . 1 274 . 27 PHE CE2 C 131.3 . 1 275 . 27 PHE CZ C 130.2 . 1 276 . 27 PHE N N 118.3 . 1 277 . 28 VAL H H 8.93 . 1 278 . 28 VAL HA H 4.55 . 1 279 . 28 VAL HB H 1.87 . 1 280 . 28 VAL HG1 H 0.72 . 2 281 . 28 VAL HG2 H 0.82 . 2 282 . 28 VAL CA C 59.5 . 1 283 . 28 VAL CB C 34.3 . 1 284 . 28 VAL CG1 C 21.4 . 2 285 . 28 VAL CG2 C 20.8 . 2 286 . 28 VAL N N 115.4 . 1 287 . 29 LEU H H 8.84 . 1 288 . 29 LEU HA H 4.60 . 1 289 . 29 LEU HB2 H 1.04 . 2 290 . 29 LEU HB3 H 1.85 . 2 291 . 29 LEU HG H 1.29 . 1 292 . 29 LEU HD1 H 0.58 . 2 293 . 29 LEU HD2 H 0.59 . 2 294 . 29 LEU CA C 55.2 . 1 295 . 29 LEU CB C 42.7 . 1 296 . 29 LEU CG C 26.9 . 1 297 . 29 LEU CD1 C 24.7 . 2 298 . 29 LEU CD2 C 26.3 . 2 299 . 29 LEU N N 126.9 . 1 300 . 30 ARG H H 8.59 . 1 301 . 30 ARG HA H 4.36 . 1 302 . 30 ARG HB2 H 0.12 . 2 303 . 30 ARG HB3 H 1.23 . 2 304 . 30 ARG HG2 H 1.07 . 1 305 . 30 ARG HG3 H 1.07 . 1 306 . 30 ARG HD2 H 2.72 . 1 307 . 30 ARG HD3 H 2.72 . 1 308 . 30 ARG CA C 54.3 . 1 309 . 30 ARG CB C 32.9 . 1 310 . 30 ARG CG C 28.0 . 1 311 . 30 ARG CD C 42.5 . 1 312 . 30 ARG N N 127.6 . 1 313 . 31 ASP H H 8.16 . 1 314 . 31 ASP HA H 4.79 . 1 315 . 31 ASP HB2 H 2.29 . 2 316 . 31 ASP HB3 H 2.61 . 2 317 . 31 ASP CA C 52.4 . 1 318 . 31 ASP CB C 43.0 . 1 319 . 31 ASP N N 118.9 . 1 320 . 32 GLY H H 7.74 . 1 321 . 32 GLY HA2 H 4.03 . 2 322 . 32 GLY HA3 H 4.19 . 2 323 . 32 GLY CA C 45.4 . 1 324 . 32 GLY N N 109.6 . 1 325 . 33 ALA HA H 4.00 . 1 326 . 33 ALA HB H 1.36 . 1 327 . 33 ALA CA C 54.5 . 1 328 . 33 ALA CB C 18.4 . 1 329 . 34 ALA H H 8.36 . 1 330 . 34 ALA HA H 3.69 . 1 331 . 34 ALA HB H 0.99 . 1 332 . 34 ALA CA C 49.5 . 1 333 . 34 ALA CB C 17.6 . 1 334 . 34 ALA N N 121.8 . 1 335 . 35 GLY H H 6.81 . 1 336 . 35 GLY HA2 H 3.50 . 2 337 . 35 GLY HA3 H 3.88 . 2 338 . 35 GLY CA C 44.2 . 1 339 . 35 GLY N N 105.4 . 1 340 . 36 VAL H H 8.53 . 1 341 . 36 VAL HA H 5.20 . 1 342 . 36 VAL HB H 1.93 . 1 343 . 36 VAL HG1 H 0.77 . 2 344 . 36 VAL HG2 H 0.90 . 2 345 . 36 VAL CA C 60.7 . 1 346 . 36 VAL CB C 32.9 . 1 347 . 36 VAL CG1 C 19.8 . 2 348 . 36 VAL CG2 C 22.2 . 2 349 . 36 VAL N N 113.8 . 1 350 . 37 PHE H H 8.65 . 1 351 . 37 PHE HA H 4.60 . 1 352 . 37 PHE HB2 H 2.63 . 2 353 . 37 PHE HB3 H 3.17 . 2 354 . 37 PHE HD1 H 7.02 . 1 355 . 37 PHE HD2 H 7.02 . 1 356 . 37 PHE HE1 H 6.80 . 1 357 . 37 PHE HE2 H 6.80 . 1 358 . 37 PHE HZ H 6.92 . 1 359 . 37 PHE CA C 56.6 . 1 360 . 37 PHE CB C 39.7 . 1 361 . 37 PHE CD1 C 133.1 . 1 362 . 37 PHE CD2 C 133.1 . 1 363 . 37 PHE CE1 C 130.7 . 1 364 . 37 PHE CE2 C 130.7 . 1 365 . 37 PHE CZ C 129.7 . 1 366 . 37 PHE N N 117.3 . 1 367 . 38 LEU H H 8.64 . 1 368 . 38 LEU HA H 5.13 . 1 369 . 38 LEU HB2 H 0.70 . 2 370 . 38 LEU HB3 H 1.34 . 2 371 . 38 LEU HG H 1.09 . 1 372 . 38 LEU HD1 H 0.20 . 2 373 . 38 LEU HD2 H 0.48 . 2 374 . 38 LEU CA C 52.7 . 1 375 . 38 LEU CB C 42.2 . 1 376 . 38 LEU CG C 26.0 . 1 377 . 38 LEU CD1 C 25.2 . 2 378 . 38 LEU CD2 C 23.3 . 2 379 . 38 LEU N N 118.1 . 1 380 . 39 ALA H H 9.12 . 1 381 . 39 ALA HA H 5.46 . 1 382 . 39 ALA HB H 1.18 . 1 383 . 39 ALA CA C 49.9 . 1 384 . 39 ALA CB C 23.3 . 1 385 . 39 ALA N N 123.0 . 1 386 . 40 ALA H H 8.23 . 1 387 . 40 ALA HA H 3.81 . 1 388 . 40 ALA HB H 1.28 . 1 389 . 40 ALA CA C 52.8 . 1 390 . 40 ALA CB C 20.0 . 1 391 . 40 ALA N N 123.6 . 1 392 . 41 ASN H H 9.64 . 1 393 . 41 ASN HA H 4.12 . 1 394 . 41 ASN HB2 H 1.80 . 2 395 . 41 ASN HB3 H 2.36 . 2 396 . 41 ASN CA C 57.0 . 1 397 . 41 ASN CB C 35.9 . 1 398 . 41 ASN N N 121.6 . 1 399 . 42 THR H H 6.81 . 1 400 . 42 THR HA H 4.19 . 1 401 . 42 THR HB H 4.42 . 1 402 . 42 THR HG2 H 1.10 . 1 403 . 42 THR CA C 60.3 . 1 404 . 42 THR CB C 68.5 . 1 405 . 42 THR CG2 C 21.7 . 1 406 . 42 THR N N 105.1 . 1 407 . 43 PHE H H 7.69 . 1 408 . 43 PHE HA H 4.97 . 1 409 . 43 PHE HB2 H 3.07 . 2 410 . 43 PHE HB3 H 3.48 . 2 411 . 43 PHE HD1 H 7.24 . 1 412 . 43 PHE HD2 H 7.24 . 1 413 . 43 PHE HE1 H 7.37 . 1 414 . 43 PHE HE2 H 7.37 . 1 415 . 43 PHE HZ H 7.37 . 1 416 . 43 PHE CA C 57.1 . 1 417 . 43 PHE CB C 39.7 . 1 418 . 43 PHE CD1 C 132.3 . 1 419 . 43 PHE CD2 C 132.3 . 1 420 . 43 PHE CE1 C 131.6 . 1 421 . 43 PHE CE2 C 131.6 . 1 422 . 43 PHE CZ C 131.6 . 1 423 . 43 PHE N N 126.0 . 1 424 . 44 PRO HA H 3.31 . 1 425 . 44 PRO HB2 H 1.05 . 2 426 . 44 PRO HB3 H 1.82 . 2 427 . 44 PRO HG2 H 1.45 . 2 428 . 44 PRO HG3 H 1.76 . 2 429 . 44 PRO HD2 H 3.41 . 1 430 . 44 PRO HD3 H 3.41 . 1 431 . 44 PRO CA C 63.9 . 1 432 . 44 PRO CB C 32.6 . 1 433 . 44 PRO CG C 23.9 . 1 434 . 44 PRO CD C 49.6 . 1 435 . 45 LYS H H 8.71 . 1 436 . 45 LYS HA H 3.87 . 1 437 . 45 LYS HB2 H 1.77 . 1 438 . 45 LYS HB3 H 1.77 . 1 439 . 45 LYS HG2 H 1.34 . 2 440 . 45 LYS HG3 H 1.45 . 2 441 . 45 LYS HD2 H 1.63 . 1 442 . 45 LYS HD3 H 1.63 . 1 443 . 45 LYS HE2 H 2.94 . 1 444 . 45 LYS HE3 H 2.94 . 1 445 . 45 LYS CA C 59.9 . 1 446 . 45 LYS CB C 31.2 . 1 447 . 45 LYS CG C 25.0 . 1 448 . 45 LYS CD C 28.8 . 1 449 . 45 LYS CE C 41.6 . 1 450 . 45 LYS N N 127.9 . 1 451 . 46 SER H H 6.08 . 1 452 . 46 SER HA H 4.43 . 1 453 . 46 SER HB2 H 3.20 . 2 454 . 46 SER HB3 H 3.57 . 2 455 . 46 SER CA C 55.7 . 1 456 . 46 SER CB C 63.3 . 1 457 . 46 SER N N 107.0 . 1 458 . 47 ARG H H 8.51 . 1 459 . 47 ARG HA H 4.54 . 1 460 . 47 ARG HB2 H 1.57 . 2 461 . 47 ARG HB3 H 2.20 . 2 462 . 47 ARG HG2 H 1.29 . 2 463 . 47 ARG HG3 H 1.57 . 2 464 . 47 ARG HD2 H 3.07 . 1 465 . 47 ARG HD3 H 3.07 . 1 466 . 47 ARG CA C 54.2 . 1 467 . 47 ARG CB C 29.1 . 1 468 . 47 ARG CG C 27.4 . 1 469 . 47 ARG CD C 42.5 . 1 470 . 47 ARG N N 124.0 . 1 471 . 48 GLU H H 7.78 . 1 472 . 48 GLU HA H 4.22 . 1 473 . 48 GLU HB2 H 1.87 . 1 474 . 48 GLU HB3 H 1.87 . 1 475 . 48 GLU HG2 H 2.21 . 1 476 . 48 GLU HG3 H 2.35 . 2 477 . 48 GLU CA C 58.7 . 1 478 . 48 GLU CB C 30.1 . 1 479 . 48 GLU CG C 35.6 . 1 480 . 48 GLU N N 122.8 . 1 481 . 49 THR H H 8.03 . 1 482 . 49 THR HA H 5.74 . 1 483 . 49 THR HB H 4.34 . 1 484 . 49 THR HG2 H 1.27 . 1 485 . 49 THR CA C 59.5 . 1 486 . 49 THR CB C 73.1 . 1 487 . 49 THR CG2 C 21.1 . 1 488 . 49 THR N N 117.4 . 1 489 . 50 ARG H H 8.75 . 1 490 . 50 ARG HA H 4.71 . 1 491 . 50 ARG HB2 H 1.68 . 2 492 . 50 ARG HB3 H 2.18 . 2 493 . 50 ARG HG2 H 0.86 . 1 494 . 50 ARG HG3 H 0.86 . 1 495 . 50 ARG HD2 H 2.95 . 2 496 . 50 ARG HD3 H 3.03 . 2 497 . 50 ARG CA C 55.8 . 1 498 . 50 ARG CB C 32.3 . 1 499 . 50 ARG CG C 25.0 . 1 500 . 50 ARG CD C 43.0 . 1 501 . 50 ARG N N 116.3 . 1 502 . 51 ALA H H 8.40 . 1 503 . 51 ALA HA H 4.91 . 1 504 . 51 ALA HB H 1.42 . 1 505 . 51 ALA CA C 49.9 . 1 506 . 51 ALA CB C 17.8 . 1 507 . 51 ALA N N 122.8 . 1 508 . 52 PRO HA H 4.44 . 1 509 . 52 PRO HB2 H 1.71 . 1 510 . 52 PRO HB3 H 1.71 . 1 511 . 52 PRO HG2 H 1.59 . 2 512 . 52 PRO HG3 H 1.84 . 2 513 . 52 PRO HD2 H 3.57 . 2 514 . 52 PRO HD3 H 3.80 . 2 515 . 52 PRO CA C 61.6 . 1 516 . 52 PRO CB C 30.4 . 1 517 . 52 PRO CG C 26.6 . 1 518 . 52 PRO CD C 49.3 . 1 519 . 53 LEU H H 8.96 . 1 520 . 53 LEU HA H 4.80 . 1 521 . 53 LEU HB2 H 1.53 . 2 522 . 53 LEU HB3 H 1.74 . 2 523 . 53 LEU HG H 1.75 . 1 524 . 53 LEU HD1 H 0.82 . 2 525 . 53 LEU HD2 H 0.90 . 2 526 . 53 LEU CA C 54.2 . 1 527 . 53 LEU CB C 42.2 . 1 528 . 53 LEU CG C 28.0 . 1 529 . 53 LEU CD1 C 23.3 . 2 530 . 53 LEU CD2 C 25.8 . 2 531 . 53 LEU N N 120.8 . 1 532 . 54 VAL H H 8.05 . 1 533 . 54 VAL HA H 3.17 . 1 534 . 54 VAL HB H 1.84 . 1 535 . 54 VAL HG1 H 0.52 . 2 536 . 54 VAL HG2 H 0.61 . 2 537 . 54 VAL CA C 68.0 . 1 538 . 54 VAL CB C 30.4 . 1 539 . 54 VAL CG1 C 24.4 . 2 540 . 54 VAL CG2 C 21.2 . 2 541 . 54 VAL N N 125.3 . 1 542 . 55 GLU H H 9.31 . 1 543 . 55 GLU HA H 3.83 . 1 544 . 55 GLU HB2 H 1.94 . 2 545 . 55 GLU HB3 H 2.03 . 2 546 . 55 GLU HG2 H 2.13 . 1 547 . 55 GLU HG3 H 2.34 . 2 548 . 55 GLU CA C 59.6 . 1 549 . 55 GLU CB C 29.3 . 1 550 . 55 GLU CG C 35.6 . 1 551 . 55 GLU N N 116.0 . 1 552 . 56 GLU H H 6.74 . 1 553 . 56 GLU HA H 3.91 . 1 554 . 56 GLU HB2 H 1.75 . 2 555 . 56 GLU HB3 H 2.71 . 2 556 . 56 GLU HG2 H 2.34 . 1 557 . 56 GLU HG3 H 2.45 . 2 558 . 56 GLU CA C 59.2 . 1 559 . 56 GLU CB C 29.1 . 1 560 . 56 GLU CG C 37.5 . 1 561 . 56 GLU N N 118.1 . 1 562 . 57 LEU H H 7.22 . 1 563 . 57 LEU HA H 3.88 . 1 564 . 57 LEU HB2 H 1.10 . 2 565 . 57 LEU HB3 H 1.90 . 2 566 . 57 LEU HG H 1.72 . 1 567 . 57 LEU HD1 H 0.61 . 1 568 . 57 LEU HD2 H 0.61 . 1 569 . 57 LEU CA C 57.7 . 1 570 . 57 LEU CB C 39.7 . 1 571 . 57 LEU CG C 26.0 . 1 572 . 57 LEU CD1 C 21.7 . 2 573 . 57 LEU CD2 C 27.7 . 2 574 . 57 LEU N N 116.0 . 1 575 . 58 TYR H H 8.68 . 1 576 . 58 TYR HA H 3.93 . 1 577 . 58 TYR HB2 H 2.79 . 2 578 . 58 TYR HB3 H 3.19 . 2 579 . 58 TYR HD1 H 7.15 . 1 580 . 58 TYR HD2 H 7.15 . 1 581 . 58 TYR HE1 H 6.79 . 1 582 . 58 TYR HE2 H 6.79 . 1 583 . 58 TYR CA C 62.6 . 1 584 . 58 TYR CB C 37.8 . 1 585 . 58 TYR CD1 C 133.2 . 1 586 . 58 TYR CD2 C 133.2 . 1 587 . 58 TYR CE1 C 118.4 . 1 588 . 58 TYR CE2 C 118.4 . 1 589 . 58 TYR N N 116.0 . 1 590 . 59 ARG H H 7.78 . 1 591 . 59 ARG HA H 3.60 . 1 592 . 59 ARG HB2 H 1.30 . 2 593 . 59 ARG HB3 H 1.70 . 2 594 . 59 ARG HG2 H 0.49 . 2 595 . 59 ARG HG3 H 1.30 . 2 596 . 59 ARG HD2 H 2.74 . 2 597 . 59 ARG HD3 H 2.86 . 2 598 . 59 ARG CA C 59.1 . 1 599 . 59 ARG CB C 29.6 . 1 600 . 59 ARG CG C 26.0 . 1 601 . 59 ARG CD C 43.8 . 1 602 . 59 ARG N N 120.9 . 1 603 . 60 PHE H H 7.05 . 1 604 . 60 PHE HA H 4.89 . 1 605 . 60 PHE HB2 H 2.36 . 2 606 . 60 PHE HB3 H 3.28 . 2 607 . 60 PHE HD1 H 7.21 . 1 608 . 60 PHE HD2 H 7.21 . 1 609 . 60 PHE HE1 H 7.10 . 1 610 . 60 PHE HE2 H 7.10 . 1 611 . 60 PHE HZ H 6.96 . 1 612 . 60 PHE CA C 56.3 . 1 613 . 60 PHE CB C 38.1 . 1 614 . 60 PHE CD1 C 132.5 . 1 615 . 60 PHE CD2 C 132.5 . 1 616 . 60 PHE CE1 C 130.2 . 1 617 . 60 PHE CE2 C 130.2 . 1 618 . 60 PHE CZ C 129.0 . 1 619 . 60 PHE N N 114.6 . 1 620 . 61 ARG H H 6.95 . 1 621 . 61 ARG HA H 3.77 . 1 622 . 61 ARG HB2 H 1.64 . 1 623 . 61 ARG HB3 H 1.64 . 1 624 . 61 ARG HG2 H 1.19 . 2 625 . 61 ARG HG3 H 1.64 . 2 626 . 61 ARG HD2 H 2.74 . 2 627 . 61 ARG HD3 H 2.80 . 2 628 . 61 ARG CA C 60.0 . 1 629 . 61 ARG CB C 29.9 . 1 630 . 61 ARG CG C 25.8 . 1 631 . 61 ARG CD C 43.0 . 1 632 . 61 ARG N N 120.8 . 1 633 . 62 ASP H H 8.40 . 1 634 . 62 ASP HA H 4.36 . 1 635 . 62 ASP HB2 H 2.58 . 2 636 . 62 ASP HB3 H 2.65 . 2 637 . 62 ASP CA C 55.6 . 1 638 . 62 ASP CB C 39.5 . 1 639 . 62 ASP N N 115.4 . 1 640 . 63 ARG H H 8.10 . 1 641 . 63 ARG HA H 4.33 . 1 642 . 63 ARG HB2 H 1.80 . 2 643 . 63 ARG HB3 H 1.96 . 2 644 . 63 ARG HG2 H 1.68 . 2 645 . 63 ARG HG3 H 1.80 . 2 646 . 63 ARG HD2 H 2.86 . 2 647 . 63 ARG HD3 H 3.23 . 2 648 . 63 ARG CA C 55.4 . 1 649 . 63 ARG CB C 31.2 . 1 650 . 63 ARG CG C 26.9 . 1 651 . 63 ARG CD C 43.6 . 1 652 . 63 ARG N N 116.6 . 1 653 . 64 LEU H H 7.26 . 1 654 . 64 LEU HA H 4.34 . 1 655 . 64 LEU HB2 H 1.18 . 2 656 . 64 LEU HB3 H 1.80 . 2 657 . 64 LEU HG H 2.00 . 1 658 . 64 LEU HD1 H 0.67 . 2 659 . 64 LEU HD2 H 0.81 . 2 660 . 64 LEU CA C 52.8 . 1 661 . 64 LEU CB C 40.5 . 1 662 . 64 LEU CG C 26.0 . 1 663 . 64 LEU CD1 C 22.5 . 2 664 . 64 LEU CD2 C 26.0 . 2 665 . 64 LEU N N 117.1 . 1 666 . 65 PRO HA H 4.58 . 1 667 . 65 PRO HB2 H 1.91 . 2 668 . 65 PRO HB3 H 2.46 . 2 669 . 65 PRO HG2 H 1.91 . 2 670 . 65 PRO HG3 H 2.19 . 2 671 . 65 PRO HD2 H 3.37 . 2 672 . 65 PRO HD3 H 3.83 . 2 673 . 65 PRO CA C 62.9 . 1 674 . 65 PRO CB C 31.8 . 1 675 . 65 PRO CG C 27.4 . 1 676 . 65 PRO CD C 50.1 . 1 677 . 66 GLU H H 8.88 . 1 678 . 66 GLU HA H 3.73 . 1 679 . 66 GLU HB2 H 2.02 . 2 680 . 66 GLU HB3 H 2.10 . 2 681 . 66 GLU HG2 H 2.33 . 1 682 . 66 GLU HG3 H 2.33 . 1 683 . 66 GLU CA C 60.7 . 1 684 . 66 GLU CB C 29.3 . 1 685 . 66 GLU CG C 35.9 . 1 686 . 66 GLU N N 123.8 . 1 687 . 67 LYS H H 8.68 . 1 688 . 67 LYS HA H 4.25 . 1 689 . 67 LYS HB2 H 1.80 . 2 690 . 67 LYS HB3 H 2.02 . 2 691 . 67 LYS HG2 H 1.47 . 1 692 . 67 LYS HG3 H 1.47 . 1 693 . 67 LYS HD2 H 1.72 . 1 694 . 67 LYS HD3 H 1.72 . 1 695 . 67 LYS HE2 H 2.96 . 1 696 . 67 LYS HE3 H 2.96 . 1 697 . 67 LYS CA C 58.6 . 1 698 . 67 LYS CB C 32.1 . 1 699 . 67 LYS CG C 24.7 . 1 700 . 67 LYS CD C 29.1 . 1 701 . 67 LYS CE C 41.6 . 1 702 . 67 LYS N N 114.9 . 1 703 . 68 LEU H H 7.63 . 1 704 . 68 LEU HA H 4.78 . 1 705 . 68 LEU HB2 H 1.54 . 1 706 . 68 LEU HB3 H 1.54 . 1 707 . 68 LEU HG H 1.54 . 1 708 . 68 LEU HD1 H 0.77 . 2 709 . 68 LEU HD2 H 0.90 . 2 710 . 68 LEU CA C 53.9 . 1 711 . 68 LEU CB C 44.1 . 1 712 . 68 LEU CG C 27.1 . 1 713 . 68 LEU CD1 C 25.8 . 2 714 . 68 LEU CD2 C 22.2 . 2 715 . 68 LEU N N 114.1 . 1 716 . 69 ARG H H 7.53 . 1 717 . 69 ARG HA H 3.70 . 1 718 . 69 ARG HB2 H 1.89 . 1 719 . 69 ARG HB3 H 1.89 . 1 720 . 69 ARG HG2 H 1.64 . 1 721 . 69 ARG HG3 H 1.64 . 1 722 . 69 ARG HD2 H 3.19 . 1 723 . 69 ARG HD3 H 3.19 . 1 724 . 69 ARG CA C 60.6 . 1 725 . 69 ARG CB C 29.1 . 1 726 . 69 ARG CG C 28.8 . 1 727 . 69 ARG CD C 43.3 . 1 728 . 69 ARG N N 120.3 . 1 729 . 70 TYR H H 8.64 . 1 730 . 70 TYR HA H 4.47 . 1 731 . 70 TYR HB2 H 2.53 . 2 732 . 70 TYR HB3 H 2.92 . 2 733 . 70 TYR HD1 H 6.32 . 1 734 . 70 TYR HD2 H 6.32 . 1 735 . 70 TYR HE1 H 6.73 . 1 736 . 70 TYR HE2 H 6.73 . 1 737 . 70 TYR CA C 59.9 . 1 738 . 70 TYR CB C 35.6 . 1 739 . 70 TYR CD1 C 133.3 . 1 740 . 70 TYR CD2 C 133.3 . 1 741 . 70 TYR CE1 C 117.7 . 1 742 . 70 TYR CE2 C 117.7 . 1 743 . 70 TYR N N 117.2 . 1 744 . 71 LEU H H 6.85 . 1 745 . 71 LEU HA H 3.67 . 1 746 . 71 LEU HB2 H 0.92 . 2 747 . 71 LEU HB3 H 1.55 . 2 748 . 71 LEU HG H 0.57 . 1 749 . 71 LEU HD1 H 0.57 . 2 750 . 71 LEU HD2 H 0.74 . 2 751 . 71 LEU CA C 57.1 . 1 752 . 71 LEU CB C 42.5 . 1 753 . 71 LEU CG C 22.5 . 1 754 . 71 LEU CD1 C 22.5 . 2 755 . 71 LEU CD2 C 26.3 . 2 756 . 71 LEU N N 121.9 . 1 757 . 72 ALA H H 7.10 . 1 758 . 72 ALA HA H 3.91 . 1 759 . 72 ALA HB H 1.29 . 1 760 . 72 ALA CA C 52.9 . 1 761 . 72 ALA CB C 18.7 . 1 762 . 72 ALA N N 114.6 . 1 763 . 73 ASP H H 7.07 . 1 764 . 73 ASP HA H 4.75 . 1 765 . 73 ASP HB2 H 2.90 . 2 766 . 73 ASP HB3 H 3.18 . 2 767 . 73 ASP CA C 54.4 . 1 768 . 73 ASP CB C 41.1 . 1 769 . 73 ASP N N 115.1 . 1 770 . 74 ALA H H 6.39 . 1 771 . 74 ALA HA H 3.12 . 1 772 . 74 ALA HB H 0.07 . 1 773 . 74 ALA CA C 50.3 . 1 774 . 74 ALA CB C 16.7 . 1 775 . 74 ALA N N 123.3 . 1 776 . 75 PRO HA H 4.25 . 1 777 . 75 PRO HB2 H 1.80 . 2 778 . 75 PRO HB3 H 2.39 . 2 779 . 75 PRO HG2 H 2.03 . 2 780 . 75 PRO HG3 H 2.19 . 2 781 . 75 PRO HD2 H 2.84 . 2 782 . 75 PRO HD3 H 3.45 . 2 783 . 75 PRO CA C 62.8 . 1 784 . 75 PRO CB C 31.2 . 1 785 . 75 PRO CG C 28.2 . 1 786 . 75 PRO CD C 49.0 . 1 787 . 76 GLN H H 8.66 . 1 788 . 76 GLN HA H 3.64 . 1 789 . 76 GLN HB2 H 1.60 . 2 790 . 76 GLN HB3 H 2.15 . 2 791 . 76 GLN HG2 H 1.71 . 2 792 . 76 GLN HG3 H 2.37 . 2 793 . 76 GLN CA C 57.5 . 1 794 . 76 GLN CB C 29.1 . 1 795 . 76 GLN CG C 34.5 . 1 796 . 76 GLN N N 121.6 . 1 797 . 77 GLN H H 7.43 . 1 798 . 77 GLN HA H 5.01 . 1 799 . 77 GLN HB2 H 1.49 . 2 800 . 77 GLN HB3 H 1.83 . 2 801 . 77 GLN HG2 H 1.99 . 1 802 . 77 GLN HG3 H 1.99 . 1 803 . 77 GLN CA C 53.8 . 1 804 . 77 GLN CB C 32.6 . 1 805 . 77 GLN CG C 33.2 . 1 806 . 77 GLN N N 115.3 . 1 807 . 78 ASP H H 8.16 . 1 808 . 78 ASP HA H 3.04 . 1 809 . 78 ASP HB2 H 1.37 . 2 810 . 78 ASP HB3 H 1.84 . 2 811 . 78 ASP CA C 51.7 . 1 812 . 78 ASP CB C 38.9 . 1 813 . 78 ASP N N 121.4 . 1 814 . 79 PRO HA H 4.14 . 1 815 . 79 PRO HB2 H 1.71 . 2 816 . 79 PRO HB3 H 2.38 . 2 817 . 79 PRO HG2 H 1.87 . 2 818 . 79 PRO HG3 H 2.11 . 2 819 . 79 PRO HD2 H 2.38 . 2 820 . 79 PRO HD3 H 2.75 . 2 821 . 79 PRO CA C 65.4 . 1 822 . 79 PRO CB C 31.5 . 1 823 . 79 PRO CG C 28.0 . 1 824 . 79 PRO CD C 49.9 . 1 825 . 80 GLU H H 7.35 . 1 826 . 80 GLU HA H 4.24 . 1 827 . 80 GLU HB2 H 1.74 . 2 828 . 80 GLU HB3 H 2.13 . 2 829 . 80 GLU HG2 H 2.13 . 1 830 . 80 GLU HG3 H 2.13 . 1 831 . 80 GLU CA C 55.4 . 1 832 . 80 GLU CB C 30.1 . 1 833 . 80 GLU CG C 37.0 . 1 834 . 80 GLU N N 114.1 . 1 835 . 81 GLY H H 7.90 . 1 836 . 81 GLY HA2 H 3.43 . 2 837 . 81 GLY HA3 H 4.16 . 2 838 . 81 GLY CA C 45.0 . 1 839 . 81 GLY N N 107.3 . 1 840 . 82 ASN H H 8.22 . 1 841 . 82 ASN HA H 4.60 . 1 842 . 82 ASN HB2 H 2.62 . 2 843 . 82 ASN HB3 H 2.75 . 2 844 . 82 ASN CA C 53.0 . 1 845 . 82 ASN CB C 37.8 . 1 846 . 82 ASN N N 120.0 . 1 847 . 83 LYS H H 8.93 . 1 848 . 83 LYS HA H 4.40 . 1 849 . 83 LYS HB2 H 1.85 . 2 850 . 83 LYS HB3 H 1.94 . 2 851 . 83 LYS HG2 H 1.54 . 2 852 . 83 LYS HG3 H 1.66 . 2 853 . 83 LYS HD2 H 1.66 . 1 854 . 83 LYS HD3 H 1.66 . 1 855 . 83 LYS HE2 H 2.97 . 1 856 . 83 LYS HE3 H 2.97 . 1 857 . 83 LYS CA C 57.4 . 1 858 . 83 LYS CB C 32.1 . 1 859 . 83 LYS CG C 25.5 . 1 860 . 83 LYS CD C 28.8 . 1 861 . 83 LYS CE C 41.6 . 1 862 . 83 LYS N N 122.3 . 1 863 . 84 THR H H 7.21 . 1 864 . 84 THR HA H 4.73 . 1 865 . 84 THR HB H 4.02 . 1 866 . 84 THR HG2 H 0.69 . 1 867 . 84 THR CA C 59.4 . 1 868 . 84 THR CB C 70.1 . 1 869 . 84 THR CG2 C 24.4 . 1 870 . 84 THR N N 109.3 . 1 871 . 85 MET H H 8.97 . 1 872 . 85 MET HA H 5.03 . 1 873 . 85 MET HB2 H 1.83 . 1 874 . 85 MET HB3 H 1.83 . 1 875 . 85 MET HG2 H 2.23 . 2 876 . 85 MET HG3 H 2.31 . 2 877 . 85 MET HE H 1.89 . 1 878 . 85 MET CA C 54.1 . 1 879 . 85 MET CB C 35.9 . 1 880 . 85 MET CG C 30.7 . 1 881 . 85 MET CE C 16.7 . 1 882 . 85 MET N N 120.0 . 1 883 . 86 VAL H H 7.53 . 1 884 . 86 VAL HA H 4.01 . 1 885 . 86 VAL HB H 1.71 . 1 886 . 86 VAL HG1 H 0.69 . 2 887 . 86 VAL HG2 H 0.92 . 2 888 . 86 VAL CA C 63.3 . 1 889 . 86 VAL CB C 32.3 . 1 890 . 86 VAL CG1 C 22.4 . 2 891 . 86 VAL CG2 C 23.3 . 2 892 . 86 VAL N N 119.4 . 1 893 . 87 ARG H H 8.71 . 1 894 . 87 ARG HA H 4.58 . 1 895 . 87 ARG HB2 H 0.05 . 2 896 . 87 ARG HB3 H 1.40 . 2 897 . 87 ARG HG2 H 1.25 . 2 898 . 87 ARG HG3 H 1.33 . 2 899 . 87 ARG HD2 H 3.03 . 2 900 . 87 ARG HD3 H 3.11 . 2 901 . 87 ARG CA C 53.1 . 1 902 . 87 ARG CB C 33.4 . 1 903 . 87 ARG CG C 26.3 . 1 904 . 87 ARG CD C 42.7 . 1 905 . 87 ARG N N 125.1 . 1 906 . 88 PHE H H 8.88 . 1 907 . 88 PHE HA H 5.11 . 1 908 . 88 PHE HB2 H 2.87 . 2 909 . 88 PHE HB3 H 2.94 . 2 910 . 88 PHE HD1 H 6.83 . 1 911 . 88 PHE HD2 H 6.83 . 1 912 . 88 PHE HE1 H 7.20 . 1 913 . 88 PHE HE2 H 7.20 . 1 914 . 88 PHE HZ H 7.13 . 1 915 . 88 PHE CA C 57.4 . 1 916 . 88 PHE CB C 43.6 . 1 917 . 88 PHE CD1 C 131.0 . 1 918 . 88 PHE CD2 C 131.0 . 1 919 . 88 PHE CE1 C 131.3 . 1 920 . 88 PHE CE2 C 131.3 . 1 921 . 88 PHE CZ C 129.2 . 1 922 . 88 PHE N N 123.4 . 1 923 . 89 SER H H 8.26 . 1 924 . 89 SER HA H 5.00 . 1 925 . 89 SER HB2 H 3.82 . 2 926 . 89 SER HB3 H 3.90 . 2 927 . 89 SER CA C 55.1 . 1 928 . 89 SER CB C 63.7 . 1 929 . 89 SER N N 122.0 . 1 930 . 90 ARG H H 9.43 . 1 931 . 90 ARG HA H 4.04 . 1 932 . 90 ARG HB2 H 1.98 . 1 933 . 90 ARG HB3 H 1.98 . 1 934 . 90 ARG HG2 H 1.89 . 1 935 . 90 ARG HG3 H 1.89 . 1 936 . 90 ARG HD2 H 3.32 . 1 937 . 90 ARG HD3 H 3.32 . 1 938 . 90 ARG CA C 59.0 . 1 939 . 90 ARG CB C 29.6 . 1 940 . 90 ARG CG C 27.7 . 1 941 . 90 ARG CD C 43.3 . 1 942 . 90 ARG N N 129.5 . 1 943 . 91 LYS H H 8.19 . 1 944 . 91 LYS HA H 4.11 . 1 945 . 91 LYS HB2 H 1.67 . 2 946 . 91 LYS HB3 H 1.82 . 2 947 . 91 LYS HG2 H 1.35 . 2 948 . 91 LYS HG3 H 1.49 . 2 949 . 91 LYS HD2 H 1.66 . 1 950 . 91 LYS HD3 H 1.66 . 1 951 . 91 LYS HE2 H 2.93 . 1 952 . 91 LYS HE3 H 2.93 . 1 953 . 91 LYS CA C 59.0 . 1 954 . 91 LYS CB C 32.6 . 1 955 . 91 LYS CG C 25.0 . 1 956 . 91 LYS CD C 28.8 . 1 957 . 91 LYS CE C 41.6 . 1 958 . 91 LYS N N 117.8 . 1 959 . 92 THR H H 7.33 . 1 960 . 92 THR HA H 4.33 . 1 961 . 92 THR HB H 4.28 . 1 962 . 92 THR HG2 H 1.00 . 1 963 . 92 THR CA C 61.0 . 1 964 . 92 THR CB C 69.6 . 1 965 . 92 THR CG2 C 21.7 . 1 966 . 92 THR N N 104.8 . 1 967 . 93 LYS H H 7.86 . 1 968 . 93 LYS HA H 3.60 . 1 969 . 93 LYS HB2 H 2.09 . 1 970 . 93 LYS HB3 H 2.09 . 1 971 . 93 LYS HG2 H 1.42 . 1 972 . 93 LYS HG3 H 1.42 . 1 973 . 93 LYS HD2 H 1.78 . 1 974 . 93 LYS HD3 H 1.78 . 1 975 . 93 LYS HE2 H 3.09 . 1 976 . 93 LYS HE3 H 3.09 . 1 977 . 93 LYS CA C 57.2 . 1 978 . 93 LYS CB C 28.8 . 1 979 . 93 LYS CG C 25.2 . 1 980 . 93 LYS CD C 29.1 . 1 981 . 93 LYS CE C 42.2 . 1 982 . 93 LYS N N 118.8 . 1 983 . 94 GLN H H 6.85 . 1 984 . 94 GLN HA H 4.86 . 1 985 . 94 GLN HB2 H 1.93 . 2 986 . 94 GLN HB3 H 2.24 . 2 987 . 94 GLN HG2 H 2.33 . 2 988 . 94 GLN HG3 H 2.43 . 2 989 . 94 GLN CA C 54.1 . 1 990 . 94 GLN CB C 32.3 . 1 991 . 94 GLN CG C 33.2 . 1 992 . 94 GLN N N 113.6 . 1 993 . 95 GLN H H 8.94 . 1 994 . 95 GLN HA H 5.53 . 1 995 . 95 GLN HB2 H 2.12 . 2 996 . 95 GLN HB3 H 2.49 . 2 997 . 95 GLN HG2 H 2.66 . 2 998 . 95 GLN HG3 H 2.94 . 2 999 . 95 GLN CA C 55.0 . 1 1000 . 95 GLN CB C 29.3 . 1 1001 . 95 GLN CG C 32.9 . 1 1002 . 95 GLN N N 118.9 . 1 1003 . 96 TYR H H 9.07 . 1 1004 . 96 TYR HA H 5.17 . 1 1005 . 96 TYR HB2 H 2.78 . 2 1006 . 96 TYR HB3 H 3.04 . 2 1007 . 96 TYR HD1 H 6.74 . 1 1008 . 96 TYR HD2 H 6.74 . 1 1009 . 96 TYR HE1 H 6.49 . 1 1010 . 96 TYR HE2 H 6.49 . 1 1011 . 96 TYR CA C 56.5 . 1 1012 . 96 TYR CB C 39.5 . 1 1013 . 96 TYR CD1 C 134.3 . 1 1014 . 96 TYR CD2 C 134.3 . 1 1015 . 96 TYR CE1 C 117.6 . 1 1016 . 96 TYR CE2 C 117.6 . 1 1017 . 96 TYR N N 120.3 . 1 1018 . 97 VAL H H 8.54 . 1 1019 . 97 VAL HA H 5.30 . 1 1020 . 97 VAL HB H 1.75 . 1 1021 . 97 VAL HG1 H 0.49 . 2 1022 . 97 VAL HG2 H 0.56 . 2 1023 . 97 VAL CA C 59.3 . 1 1024 . 97 VAL CB C 35.1 . 1 1025 . 97 VAL CG1 C 21.1 . 2 1026 . 97 VAL CG2 C 20.3 . 2 1027 . 97 VAL N N 113.0 . 1 1028 . 98 SER H H 8.50 . 1 1029 . 98 SER HA H 5.35 . 1 1030 . 98 SER HB2 H 3.72 . 2 1031 . 98 SER HB3 H 4.18 . 2 1032 . 98 SER CA C 56.8 . 1 1033 . 98 SER CB C 65.7 . 1 1034 . 98 SER N N 115.6 . 1 1035 . 99 SER H H 8.29 . 1 1036 . 99 SER HA H 5.30 . 1 1037 . 99 SER HB2 H 3.52 . 2 1038 . 99 SER HB3 H 3.66 . 2 1039 . 99 SER CA C 56.4 . 1 1040 . 99 SER CB C 66.3 . 1 1041 . 99 SER N N 113.4 . 1 1042 . 100 GLU H H 8.02 . 1 1043 . 100 GLU HA H 5.00 . 1 1044 . 100 GLU HB2 H 1.66 . 2 1045 . 100 GLU HB3 H 1.73 . 2 1046 . 100 GLU HG2 H 1.94 . 1 1047 . 100 GLU HG3 H 2.12 . 2 1048 . 100 GLU CA C 54.5 . 1 1049 . 100 GLU CB C 34.3 . 1 1050 . 100 GLU CG C 35.9 . 1 1051 . 100 GLU N N 118.8 . 1 1052 . 101 LYS H H 8.64 . 1 1053 . 101 LYS HA H 4.41 . 1 1054 . 101 LYS HB2 H 1.45 . 2 1055 . 101 LYS HB3 H 1.66 . 2 1056 . 101 LYS HG2 H 1.21 . 2 1057 . 101 LYS HG3 H 1.33 . 2 1058 . 101 LYS HD2 H 1.69 . 1 1059 . 101 LYS HD3 H 1.69 . 1 1060 . 101 LYS HE2 H 2.95 . 1 1061 . 101 LYS HE3 H 2.95 . 1 1062 . 101 LYS CA C 55.8 . 1 1063 . 101 LYS CB C 34.8 . 1 1064 . 101 LYS CG C 24.7 . 1 1065 . 101 LYS CD C 28.8 . 1 1066 . 101 LYS CE C 41.6 . 1 1067 . 101 LYS N N 120.9 . 1 1068 . 102 ASP H H 9.44 . 1 1069 . 102 ASP HA H 4.28 . 1 1070 . 102 ASP HB2 H 2.65 . 2 1071 . 102 ASP HB3 H 2.92 . 2 1072 . 102 ASP CA C 55.5 . 1 1073 . 102 ASP CB C 39.7 . 1 1074 . 102 ASP N N 128.0 . 1 1075 . 103 GLY H H 8.63 . 1 1076 . 103 GLY HA2 H 3.64 . 2 1077 . 103 GLY HA3 H 4.05 . 2 1078 . 103 GLY CA C 45.5 . 1 1079 . 103 GLY N N 103.1 . 1 1080 . 104 LYS H H 7.66 . 1 1081 . 104 LYS HA H 4.67 . 1 1082 . 104 LYS HB2 H 1.78 . 2 1083 . 104 LYS HB3 H 1.86 . 2 1084 . 104 LYS HG2 H 1.44 . 1 1085 . 104 LYS HG3 H 1.44 . 1 1086 . 104 LYS HD2 H 1.70 . 1 1087 . 104 LYS HD3 H 1.70 . 1 1088 . 104 LYS HE2 H 3.02 . 1 1089 . 104 LYS HE3 H 3.02 . 1 1090 . 104 LYS CA C 54.0 . 1 1091 . 104 LYS CB C 34.5 . 1 1092 . 104 LYS CG C 24.1 . 1 1093 . 104 LYS CD C 28.8 . 1 1094 . 104 LYS CE C 41.9 . 1 1095 . 104 LYS N N 119.5 . 1 1096 . 105 ALA H H 8.68 . 1 1097 . 105 ALA HA H 4.51 . 1 1098 . 105 ALA HB H 1.56 . 1 1099 . 105 ALA CA C 53.4 . 1 1100 . 105 ALA CB C 18.4 . 1 1101 . 105 ALA N N 126.3 . 1 1102 . 106 THR H H 8.16 . 1 1103 . 106 THR HA H 4.25 . 1 1104 . 106 THR HB H 4.43 . 1 1105 . 106 THR HG2 H 1.16 . 1 1106 . 106 THR CA C 62.6 . 1 1107 . 106 THR CB C 70.1 . 1 1108 . 106 THR CG2 C 21.1 . 1 1109 . 106 THR N N 112.5 . 1 1110 . 107 GLY H H 8.64 . 1 1111 . 107 GLY HA2 H 3.80 . 2 1112 . 107 GLY HA3 H 4.42 . 2 1113 . 107 GLY CA C 45.3 . 1 1114 . 107 GLY N N 110.0 . 1 1115 . 108 TRP H H 8.58 . 1 1116 . 108 TRP HA H 4.60 . 1 1117 . 108 TRP HB2 H 3.10 . 2 1118 . 108 TRP HB3 H 3.48 . 2 1119 . 108 TRP HD1 H 7.36 . 1 1120 . 108 TRP HE1 H 10.66 . 1 1121 . 108 TRP HE3 H 7.32 . 1 1122 . 108 TRP HZ2 H 7.40 . 3 1123 . 108 TRP HZ3 H 6.45 . 3 1124 . 108 TRP HH2 H 6.63 . 1 1125 . 108 TRP CA C 59.3 . 1 1126 . 108 TRP CB C 29.3 . 1 1127 . 108 TRP CD1 C 127.4 . 1 1128 . 108 TRP CE3 C 120.3 . 1 1129 . 108 TRP CZ2 C 113.9 . 3 1130 . 108 TRP CZ3 C 121.0 . 3 1131 . 108 TRP CH2 C 123.3 . 1 1132 . 108 TRP N N 124.8 . 1 1133 . 108 TRP NE1 N 130.8 . 1 1134 . 109 SER H H 7.32 . 1 1135 . 109 SER HA H 4.93 . 1 1136 . 109 SER HB2 H 3.55 . 2 1137 . 109 SER HB3 H 3.79 . 2 1138 . 109 SER CA C 57.6 . 1 1139 . 109 SER CB C 67.1 . 1 1140 . 109 SER N N 121.6 . 1 1141 . 110 ALA H H 8.36 . 1 1142 . 110 ALA HA H 4.89 . 1 1143 . 110 ALA HB H 1.12 . 1 1144 . 110 ALA CA C 51.3 . 1 1145 . 110 ALA CB C 21.9 . 1 1146 . 110 ALA N N 119.0 . 1 1147 . 111 PHE H H 8.81 . 1 1148 . 111 PHE HA H 5.07 . 1 1149 . 111 PHE HB2 H 2.63 . 2 1150 . 111 PHE HB3 H 3.02 . 2 1151 . 111 PHE HD1 H 7.12 . 1 1152 . 111 PHE HD2 H 7.12 . 1 1153 . 111 PHE HE1 H 6.77 . 1 1154 . 111 PHE HE2 H 6.77 . 1 1155 . 111 PHE HZ H 6.63 . 1 1156 . 111 PHE CA C 57.1 . 1 1157 . 111 PHE CB C 43.0 . 1 1158 . 111 PHE CD1 C 131.8 . 1 1159 . 111 PHE CD2 C 131.8 . 1 1160 . 111 PHE CE1 C 130.9 . 1 1161 . 111 PHE CE2 C 130.9 . 1 1162 . 111 PHE CZ C 129.1 . 1 1163 . 111 PHE N N 119.0 . 1 1164 . 112 TYR H H 9.26 . 1 1165 . 112 TYR HA H 4.29 . 1 1166 . 112 TYR HB2 H 0.70 . 2 1167 . 112 TYR HB3 H 2.54 . 2 1168 . 112 TYR HD1 H 5.60 . 1 1169 . 112 TYR HD2 H 5.60 . 1 1170 . 112 TYR HE1 H 6.32 . 1 1171 . 112 TYR HE2 H 6.32 . 1 1172 . 112 TYR CA C 56.9 . 1 1173 . 112 TYR CB C 37.3 . 1 1174 . 112 TYR CD1 C 133.5 . 1 1175 . 112 TYR CD2 C 133.5 . 1 1176 . 112 TYR CE1 C 117.1 . 1 1177 . 112 TYR CE2 C 117.1 . 1 1178 . 112 TYR N N 126.4 . 1 1179 . 113 VAL H H 8.77 . 1 1180 . 113 VAL HA H 3.95 . 1 1181 . 113 VAL HB H 1.77 . 1 1182 . 113 VAL HG1 H 0.73 . 1 1183 . 113 VAL HG2 H 0.73 . 1 1184 . 113 VAL CA C 61.3 . 1 1185 . 113 VAL CB C 34.5 . 1 1186 . 113 VAL CG1 C 20.3 . 1 1187 . 113 VAL CG2 C 20.3 . 1 1188 . 113 VAL N N 129.5 . 1 1189 . 114 ASP H H 8.82 . 1 1190 . 114 ASP HA H 4.02 . 1 1191 . 114 ASP HB2 H 2.39 . 2 1192 . 114 ASP HB3 H 2.78 . 2 1193 . 114 ASP CA C 55.0 . 1 1194 . 114 ASP CB C 39.7 . 1 1195 . 114 ASP N N 127.1 . 1 1196 . 115 GLY H H 7.17 . 1 1197 . 115 GLY HA2 H 3.14 . 2 1198 . 115 GLY HA3 H 3.83 . 2 1199 . 115 GLY CA C 45.4 . 1 1200 . 115 GLY N N 100.9 . 1 1201 . 116 LYS H H 6.99 . 1 1202 . 116 LYS HA H 4.58 . 1 1203 . 116 LYS HB2 H 1.61 . 2 1204 . 116 LYS HB3 H 1.71 . 2 1205 . 116 LYS HG2 H 1.30 . 1 1206 . 116 LYS HG3 H 1.30 . 1 1207 . 116 LYS HD2 H 1.66 . 1 1208 . 116 LYS HD3 H 1.66 . 1 1209 . 116 LYS HE2 H 2.97 . 1 1210 . 116 LYS HE3 H 2.97 . 1 1211 . 116 LYS CA C 54.3 . 1 1212 . 116 LYS CB C 35.6 . 1 1213 . 116 LYS CG C 23.9 . 1 1214 . 116 LYS CD C 28.8 . 1 1215 . 116 LYS CE C 41.9 . 1 1216 . 116 LYS N N 118.1 . 1 1217 . 117 TRP H H 8.76 . 1 1218 . 117 TRP HA H 5.18 . 1 1219 . 117 TRP HB2 H 2.92 . 2 1220 . 117 TRP HB3 H 3.33 . 2 1221 . 117 TRP HD1 H 7.33 . 1 1222 . 117 TRP HE1 H 9.84 . 1 1223 . 117 TRP HE3 H 7.27 . 1 1224 . 117 TRP HZ2 H 7.03 . 3 1225 . 117 TRP HZ3 H 7.24 . 3 1226 . 117 TRP HH2 H 6.75 . 1 1227 . 117 TRP CA C 57.5 . 1 1228 . 117 TRP CB C 29.3 . 1 1229 . 117 TRP CD1 C 126.8 . 1 1230 . 117 TRP CE3 C 120.1 . 1 1231 . 117 TRP CZ2 C 115.2 . 3 1232 . 117 TRP CZ3 C 122.7 . 3 1233 . 117 TRP CH2 C 123.2 . 1 1234 . 117 TRP N N 121.4 . 1 1235 . 117 TRP NE1 N 129.0 . 1 1236 . 118 VAL H H 9.86 . 1 1237 . 118 VAL HA H 4.57 . 1 1238 . 118 VAL HB H 2.06 . 1 1239 . 118 VAL HG1 H 0.90 . 2 1240 . 118 VAL HG2 H 0.96 . 2 1241 . 118 VAL CA C 60.7 . 1 1242 . 118 VAL CB C 34.8 . 1 1243 . 118 VAL CG1 C 20.6 . 2 1244 . 118 VAL CG2 C 21.1 . 2 1245 . 118 VAL N N 124.4 . 1 1246 . 119 GLU H H 8.82 . 1 1247 . 119 GLU HA H 4.43 . 1 1248 . 119 GLU HB2 H 2.13 . 1 1249 . 119 GLU HB3 H 2.13 . 1 1250 . 119 GLU HG2 H 2.41 . 1 1251 . 119 GLU HG3 H 2.41 . 1 1252 . 119 GLU CA C 56.9 . 1 1253 . 119 GLU CB C 31.0 . 1 1254 . 119 GLU CG C 37.0 . 1 1255 . 119 GLU N N 125.8 . 1 1256 . 120 GLY H H 8.32 . 1 1257 . 120 GLY HA2 H 3.77 . 2 1258 . 120 GLY HA3 H 4.05 . 2 1259 . 120 GLY CA C 45.4 . 1 1260 . 120 GLY N N 110.1 . 1 1261 . 121 LYS H H 8.07 . 1 1262 . 121 LYS HA H 4.46 . 1 1263 . 121 LYS HB2 H 1.66 . 2 1264 . 121 LYS HB3 H 1.78 . 2 1265 . 121 LYS HG2 H 1.37 . 1 1266 . 121 LYS HG3 H 1.37 . 1 1267 . 121 LYS HD2 H 1.65 . 1 1268 . 121 LYS HD3 H 1.65 . 1 1269 . 121 LYS HE2 H 2.96 . 1 1270 . 121 LYS HE3 H 2.96 . 1 1271 . 121 LYS CA C 55.8 . 1 1272 . 121 LYS CB C 33.7 . 1 1273 . 121 LYS CG C 24.7 . 1 1274 . 121 LYS CD C 28.8 . 1 1275 . 121 LYS CE C 41.6 . 1 1276 . 121 LYS N N 121.1 . 1 1277 . 122 LYS H H 7.91 . 1 1278 . 122 LYS HA H 4.06 . 1 1279 . 122 LYS HB2 H 1.62 . 2 1280 . 122 LYS HB3 H 1.73 . 2 1281 . 122 LYS HG2 H 1.34 . 1 1282 . 122 LYS HG3 H 1.34 . 1 1283 . 122 LYS HD2 H 1.62 . 1 1284 . 122 LYS HD3 H 1.62 . 1 1285 . 122 LYS HE2 H 2.92 . 1 1286 . 122 LYS HE3 H 2.92 . 1 1287 . 122 LYS CA C 57.8 . 1 1288 . 122 LYS CB C 33.4 . 1 1289 . 122 LYS CG C 24.7 . 1 1290 . 122 LYS CD C 28.8 . 1 1291 . 122 LYS CE C 41.6 . 1 1292 . 122 LYS N N 128.5 . 1 stop_ save_