data_5222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments and secondary structure of Tryparedoxin-I from Crithidia fasciculata ; _BMRB_accession_number 5222 _BMRB_flat_file_name bmr5222.str _Entry_type original _Submission_date 2001-12-03 _Accession_date 2001-12-04 _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 Krumme Dirk . . 2 Hecht Hans-Jurgen . . 3 Menge Ulrich . . 4 Ross Anton . . 5 Wray Victor . . 6 Flohe Leopold . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 698 "13C chemical shifts" 404 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original BMRB . stop_ _Original_release_date 2001-12-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignments and secondary structure of Tryparedoxin-I from Crithidia fasciculata ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22012549 _PubMed_ID 12018487 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krumme Dirk . . 2 Hecht Hans-Jurgen . . 3 Menge Ulrich . . 4 Ross Anton . . 5 Wray Victor . . 6 Flohe Leopold . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 375 _Page_last 376 _Year 2002 _Details . loop_ _Keyword 'hydroperoxide detoxification' oxidoreductase 'secondary structure' trypanosoma tryparedoxin stop_ save_ ################################## # Molecular system description # ################################## save_system_TXN1 _Saveframe_category molecular_system _Mol_system_name 'tryparedoxin I' _Abbreviation_common TXN1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'tryparedoxin I' $TXN1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'disulfide bound and free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TXN1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'tryparedoxin I' _Abbreviation_common TXN1 _Molecular_mass . _Mol_thiol_state 'disulfide bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; SGLDKYLPGIEKLRRGDGEV EVKSLAGKLVFFYFSASWCP PCRGFTPQLIEFYDKFHESK NFEVVFCTWDEEEDGFAGYF AKMPWLAVPFAQSEAVQKLS KHFNVESIPTLIGVDADSGD VVTTRARATLVKDPEGEQFP WKDAPLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 SER 2 3 GLY 3 4 LEU 4 5 ASP 5 6 LYS 6 7 TYR 7 8 LEU 8 9 PRO 9 10 GLY 10 11 ILE 11 12 GLU 12 13 LYS 13 14 LEU 14 15 ARG 15 16 ARG 16 17 GLY 17 18 ASP 18 19 GLY 19 20 GLU 20 21 VAL 21 22 GLU 22 23 VAL 23 24 LYS 24 25 SER 25 26 LEU 26 27 ALA 27 28 GLY 28 29 LYS 29 30 LEU 30 31 VAL 31 32 PHE 32 33 PHE 33 34 TYR 34 35 PHE 35 36 SER 36 37 ALA 37 38 SER 38 39 TRP 39 40 CYS 40 41 PRO 41 42 PRO 42 43 CYS 43 44 ARG 44 45 GLY 45 46 PHE 46 47 THR 47 48 PRO 48 49 GLN 49 50 LEU 50 51 ILE 51 52 GLU 52 53 PHE 53 54 TYR 54 55 ASP 55 56 LYS 56 57 PHE 57 58 HIS 58 59 GLU 59 60 SER 60 61 LYS 61 62 ASN 62 63 PHE 63 64 GLU 64 65 VAL 65 66 VAL 66 67 PHE 67 68 CYS 68 69 THR 69 70 TRP 70 71 ASP 71 72 GLU 72 73 GLU 73 74 GLU 74 75 ASP 75 76 GLY 76 77 PHE 77 78 ALA 78 79 GLY 79 80 TYR 80 81 PHE 81 82 ALA 82 83 LYS 83 84 MET 84 85 PRO 85 86 TRP 86 87 LEU 87 88 ALA 88 89 VAL 89 90 PRO 90 91 PHE 91 92 ALA 92 93 GLN 93 94 SER 94 95 GLU 95 96 ALA 96 97 VAL 97 98 GLN 98 99 LYS 99 100 LEU 100 101 SER 101 102 LYS 102 103 HIS 103 104 PHE 104 105 ASN 105 106 VAL 106 107 GLU 107 108 SER 108 109 ILE 109 110 PRO 110 111 THR 111 112 LEU 112 113 ILE 113 114 GLY 114 115 VAL 115 116 ASP 116 117 ALA 117 118 ASP 118 119 SER 119 120 GLY 120 121 ASP 121 122 VAL 122 123 VAL 123 124 THR 124 125 THR 125 126 ARG 126 127 ALA 127 128 ARG 128 129 ALA 129 130 THR 130 131 LEU 131 132 VAL 132 133 LYS 133 134 ASP 134 135 PRO 135 136 GLU 136 137 GLY 137 138 GLU 138 139 GLN 139 140 PHE 140 141 PRO 141 142 TRP 142 143 LYS 143 144 ASP 144 145 ALA 145 146 PRO 146 147 LEU 147 148 GLU 148 149 HIS 149 150 HIS 150 151 HIS 151 152 HIS 152 153 HIS 153 154 HIS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1EWX 'Crystal Structure Of Native Tryparedoxin I From Crithidia Fasciculata' 94.77 145 100.00 100.00 5.60e-80 PDB 1EZK 'Crystal Structure Of Recombinant Tryparedoxin I' 100.00 153 100.00 100.00 1.75e-85 PDB 1O7U 'Radiation Induced Tryparedoxin-I' 94.77 146 100.00 100.00 4.70e-80 PDB 1O85 'Radiation-Reduced Tryparedoxin-I' 94.77 146 100.00 100.00 4.70e-80 PDB 1O8W 'Radiation-Reduced Tryparedoxin-I' 94.77 146 100.00 100.00 4.70e-80 PDB 1O8X 'Mutant Tryparedoxin-I Cys43ala' 94.77 146 99.31 99.31 3.07e-79 PDB 1OKD 'Nmr-Structure Of Tryparedoxin 1' 100.00 154 100.00 100.00 1.56e-85 PDB 1QK8 'Tryparedoxin-I From Crithidia Fasciculata' 94.77 146 100.00 100.00 4.70e-80 GenBank AAC72299 'tryparedoxin [Crithidia fasciculata]' 94.77 146 100.00 100.00 4.70e-80 GenBank AAD20445 'tryparedoxin I [Crithidia fasciculata]' 94.77 146 100.00 100.00 4.70e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TXN1 'Crithidia fasciculata' 5656 Eukaryota . Crithidia fasciculata stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $TXN1 'recombinant technology' E.coli Escherichia coli BL21(DE3) pLysS pET22b(+) 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 $TXN1 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task aquisition processing stop_ _Details . save_ save_Aurelia _Saveframe_category software _Name Aurelia _Version 2.7.9 loop_ _Task assignments stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceDMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityINOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HAHB(CO)HN_6 _Saveframe_category NMR_applied_experiment _Experiment_name HAHB(CO)HN _Sample_label . save_ save_15N-edited_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _Sample_label . save_ save_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.5 n/a temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 H2O H 1 protons ppm 4.8 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' HNCA HN(CO)CA CBCANH CBCA(CO)NH HAHB(CO)HN '15N-edited TOCSY' '15N-edited NOESY' HNCO HCCH-TOCSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'tryparedoxin 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 3 2 GLY H H 8.19 0.05 1 2 3 2 GLY HA2 H 4.39 0.05 2 3 3 2 GLY HA3 H 3.80 0.05 2 4 3 2 GLY C C 172.3 0.2 1 5 3 2 GLY CA C 43.8 0.2 1 6 3 2 GLY N N 116.6 0.2 1 7 4 3 LEU H H 8.27 0.05 1 8 4 3 LEU HA H 4.44 0.05 1 9 4 3 LEU HB2 H 1.86 0.05 2 10 4 3 LEU HB3 H 1.69 0.05 2 11 4 3 LEU HG H 2.01 0.05 4 12 4 3 LEU HD1 H 0.94 0.05 4 13 4 3 LEU C C 175.9 0.2 1 14 4 3 LEU CA C 54.1 0.2 1 15 4 3 LEU CB C 38.6 0.2 1 16 4 3 LEU N N 117.2 0.2 1 17 5 4 ASP H H 7.77 0.05 1 18 5 4 ASP HA H 4.11 0.05 1 19 5 4 ASP HB2 H 2.75 0.05 2 20 5 4 ASP HB3 H 2.66 0.05 2 21 5 4 ASP C C 174.7 0.2 1 22 5 4 ASP CA C 55.2 0.2 1 23 5 4 ASP CB C 38.1 0.2 1 24 5 4 ASP N N 119.4 0.2 1 25 6 5 LYS H H 7.32 0.05 1 26 6 5 LYS HA H 3.85 0.05 1 27 6 5 LYS HB2 H 1.40 0.05 2 28 6 5 LYS HB3 H 1.19 0.05 2 29 6 5 LYS HG2 H 0.83 0.05 4 30 6 5 LYS HG3 H 0.79 0.05 4 31 6 5 LYS HD2 H 1.46 0.05 4 32 6 5 LYS HE2 H 2.81 0.05 2 33 6 5 LYS C C 174.6 0.2 1 34 6 5 LYS CA C 55.5 0.2 1 35 6 5 LYS CB C 29.5 0.2 1 36 6 5 LYS N N 114.1 0.2 1 37 7 6 TYR H H 7.14 0.05 1 38 7 6 TYR HA H 4.40 0.05 1 39 7 6 TYR HB2 H 3.21 0.05 2 40 7 6 TYR HB3 H 2.71 0.05 2 41 7 6 TYR C C 172.4 0.2 1 42 7 6 TYR CA C 55.9 0.2 1 43 7 6 TYR CB C 38.0 0.2 1 44 7 6 TYR N N 115.3 0.2 1 45 8 7 LEU H H 7.91 0.05 1 46 8 7 LEU HA H 4.73 0.05 1 47 8 7 LEU HB2 H 1.82 0.05 2 48 8 7 LEU HB3 H 1.57 0.05 2 49 8 7 LEU HG H 0.99 0.05 4 50 8 7 LEU HD1 H 0.85 0.05 4 51 8 7 LEU CA C 48.7 0.2 1 52 8 7 LEU CB C 40.6 0.2 1 53 8 7 LEU N N 117.2 0.2 1 54 9 8 PRO HA H 4.45 0.05 1 55 9 8 PRO HB2 H 2.25 0.05 4 56 9 8 PRO HB3 H 1.94 0.05 4 57 9 8 PRO HG2 H 2.08 0.05 4 58 9 8 PRO HG3 H 1.89 0.05 4 59 9 8 PRO HD2 H 3.41 0.05 4 60 9 8 PRO HD3 H 3.20 0.05 4 61 9 8 PRO C C 176.6 0.2 1 62 9 8 PRO CA C 62.3 0.2 1 63 9 8 PRO CB C 28.2 0.2 1 64 10 9 GLY H H 8.93 0.05 1 65 10 9 GLY HA2 H 4.04 0.05 2 66 10 9 GLY HA3 H 3.77 0.05 2 67 10 9 GLY C C 171.7 0.2 1 68 10 9 GLY CA C 43.5 0.2 1 69 10 9 GLY N N 110.6 0.2 1 70 11 10 ILE H H 7.42 0.05 1 71 11 10 ILE HA H 4.16 0.05 1 72 11 10 ILE HB H 1.93 0.05 1 73 11 10 ILE HG12 H 1.35 0.05 2 74 11 10 ILE HG13 H 0.99 0.05 2 75 11 10 ILE HG2 H 0.88 0.05 4 76 11 10 ILE CA C 58.4 0.2 1 77 11 10 ILE CB C 34.5 0.2 1 78 11 10 ILE N N 120.3 0.2 1 79 13 12 LYS H H 7.80 0.05 1 80 13 12 LYS HA H 5.28 0.05 1 81 13 12 LYS HB2 H 1.72 0.05 2 82 13 12 LYS HB3 H 1.52 0.05 2 83 13 12 LYS HG2 H 1.66 0.05 4 84 13 12 LYS HG3 H 1.43 0.05 4 85 13 12 LYS HD2 H 1.63 0.05 4 86 13 12 LYS HD3 H 1.30 0.05 4 87 13 12 LYS HE2 H 2.96 0.05 2 88 13 12 LYS C C 172.3 0.2 1 89 13 12 LYS CA C 52.4 0.2 1 90 13 12 LYS CB C 34.6 0.2 1 91 13 12 LYS N N 117.2 0.2 1 92 14 13 LEU H H 8.99 0.05 1 93 14 13 LEU HA H 4.80 0.05 1 94 14 13 LEU HB2 H 1.55 0.05 2 95 14 13 LEU HB3 H 1.47 0.05 2 96 14 13 LEU HG H 0.91 0.05 4 97 14 13 LEU HD1 H 0.80 0.05 4 98 14 13 LEU C C 173.6 0.2 1 99 14 13 LEU CA C 49.8 0.2 1 100 14 13 LEU CB C 43.3 0.2 1 101 14 13 LEU N N 118.4 0.2 1 102 15 14 ARG H H 8.73 0.05 1 103 15 14 ARG HA H 4.93 0.05 1 104 15 14 ARG HB2 H 2.16 0.05 2 105 15 14 ARG HB3 H 1.77 0.05 2 106 15 14 ARG HG2 H 1.96 0.05 2 107 15 14 ARG HD2 H 3.47 0.05 2 108 15 14 ARG HD3 H 3.29 0.05 2 109 15 14 ARG C C 177.4 0.2 1 110 15 14 ARG CA C 53.1 0.2 1 111 15 14 ARG CB C 29.4 0.2 1 112 15 14 ARG N N 117.5 0.2 1 113 16 15 ARG H H 8.26 0.05 1 114 16 15 ARG HA H 4.71 0.05 1 115 16 15 ARG HB2 H 1.68 0.05 2 116 16 15 ARG HB3 H 1.59 0.05 2 117 16 15 ARG HG2 H 1.43 0.05 2 118 16 15 ARG HD2 H 3.13 0.05 2 119 16 15 ARG C C 173.6 0.2 1 120 16 15 ARG CA C 54.5 0.2 1 121 16 15 ARG CB C 31.0 0.2 1 122 16 15 ARG N N 120.9 0.2 1 123 17 16 GLY H H 9.02 0.05 1 124 17 16 GLY HA2 H 3.86 0.05 2 125 17 16 GLY HA3 H 3.63 0.05 2 126 17 16 GLY C C 172.0 0.2 1 127 17 16 GLY CA C 45.1 0.2 1 128 17 16 GLY N N 119.1 0.2 1 129 18 17 ASP H H 8.73 0.05 1 130 18 17 ASP HA H 4.85 0.05 1 131 18 17 ASP HB2 H 2.80 0.05 2 132 18 17 ASP HB3 H 2.72 0.05 2 133 18 17 ASP C C 173.8 0.2 1 134 18 17 ASP CA C 51.8 0.2 1 135 18 17 ASP CB C 38.3 0.2 1 136 18 17 ASP N N 124.7 0.2 1 137 19 18 GLY H H 8.36 0.05 1 138 19 18 GLY HA2 H 4.61 0.05 2 139 19 18 GLY HA3 H 3.99 0.05 2 140 19 18 GLY C C 170.9 0.2 1 141 19 18 GLY CA C 42.4 0.2 1 142 19 18 GLY N N 108.7 0.2 1 143 20 19 GLU H H 8.62 0.05 1 144 20 19 GLU HA H 5.50 0.05 1 145 20 19 GLU HB2 H 1.96 0.05 2 146 20 19 GLU HB3 H 1.93 0.05 2 147 20 19 GLU HG2 H 2.22 0.05 2 148 20 19 GLU HG3 H 2.15 0.05 2 149 20 19 GLU C C 173.5 0.2 1 150 20 19 GLU CA C 52.7 0.2 1 151 20 19 GLU CB C 32.3 0.2 1 152 20 19 GLU N N 118.4 0.2 1 153 21 20 VAL H H 9.14 0.05 1 154 21 20 VAL HA H 4.58 0.05 1 155 21 20 VAL HB H 1.93 0.05 1 156 21 20 VAL HG1 H 0.85 0.05 2 157 21 20 VAL HG2 H 0.91 0.05 2 158 21 20 VAL C C 172.7 0.2 1 159 21 20 VAL CA C 57.7 0.2 1 160 21 20 VAL CB C 33.4 0.2 1 161 21 20 VAL N N 116.6 0.2 1 162 22 21 GLU H H 9.11 0.05 1 163 22 21 GLU HA H 4.71 0.05 1 164 22 21 GLU HB2 H 2.33 0.05 4 165 22 21 GLU HB3 H 2.10 0.05 4 166 22 21 GLU HG2 H 2.49 0.05 4 167 22 21 GLU C C 176.6 0.2 1 168 22 21 GLU CA C 54.4 0.2 1 169 22 21 GLU CB C 27.6 0.2 1 170 22 21 GLU N N 122.5 0.2 1 171 23 22 VAL H H 8.66 0.05 1 172 23 22 VAL HA H 3.50 0.05 1 173 23 22 VAL HB H 2.05 0.05 1 174 23 22 VAL HG1 H 0.99 0.05 2 175 23 22 VAL HG2 H 0.94 0.05 2 176 23 22 VAL C C 175.6 0.2 1 177 23 22 VAL CA C 64.5 0.2 1 178 23 22 VAL CB C 29.0 0.2 1 179 23 22 VAL N N 126.6 0.2 1 180 24 23 LYS H H 8.48 0.05 1 181 24 23 LYS HA H 4.22 0.05 5 182 24 23 LYS HB2 H 1.93 0.05 5 183 24 23 LYS HG2 H 1.74 0.05 5 184 24 23 LYS HG3 H 1.68 0.05 5 185 24 23 LYS HD2 H 1.55 0.05 5 186 24 23 LYS HD3 H 1.50 0.05 5 187 24 23 LYS HE2 H 3.05 0.05 5 188 24 23 LYS HE3 H 2.96 0.05 5 189 24 23 LYS C C 175.4 0.2 1 190 24 23 LYS CA C 56.4 0.2 1 191 24 23 LYS CB C 29.3 0.2 1 192 24 23 LYS N N 117.8 0.2 1 193 25 24 SER H H 7.79 0.05 1 194 25 24 SER HA H 4.40 0.05 1 195 25 24 SER HB2 H 4.14 0.05 2 196 25 24 SER HB3 H 4.08 0.05 2 197 25 24 SER C C 172.4 0.2 1 198 25 24 SER CA C 58.6 0.2 1 199 25 24 SER CB C 61.2 0.2 1 200 25 24 SER N N 114.7 0.2 1 201 26 25 LEU H H 7.80 0.05 1 202 26 25 LEU HA H 4.10 0.05 1 203 26 25 LEU HB2 H 1.80 0.05 2 204 26 25 LEU HB3 H 1.50 0.05 4 205 26 25 LEU HG H 1.65 0.05 4 206 26 25 LEU HD1 H 0.67 0.05 4 207 26 25 LEU HD2 H 0.72 0.05 4 208 26 25 LEU C C 171.7 0.2 1 209 26 25 LEU CA C 52.4 0.2 1 210 26 25 LEU CB C 37.8 0.2 1 211 26 25 LEU N N 121.3 0.2 1 212 27 26 ALA H H 6.88 0.05 1 213 27 26 ALA HA H 4.07 0.05 1 214 27 26 ALA HB H 1.49 0.05 1 215 27 26 ALA C C 176.8 0.2 1 216 27 26 ALA CA C 51.3 0.2 1 217 27 26 ALA CB C 16.0 0.2 1 218 27 26 ALA N N 118.4 0.2 1 219 28 27 GLY H H 9.56 0.05 1 220 28 27 GLY HA2 H 4.10 0.05 2 221 28 27 GLY HA3 H 3.96 0.05 2 222 28 27 GLY C C 172.6 0.2 1 223 28 27 GLY CA C 43.9 0.2 1 224 28 27 GLY N N 112.2 0.2 1 225 29 28 LYS H H 7.72 0.05 1 226 29 28 LYS HA H 4.63 0.05 1 227 29 28 LYS HB2 H 1.86 0.05 2 228 29 28 LYS HB3 H 1.65 0.05 2 229 29 28 LYS HG2 H 1.24 0.05 4 230 29 28 LYS HD2 H 1.38 0.05 4 231 29 28 LYS HD3 H 1.33 0.05 4 232 29 28 LYS HE2 H 3.12 0.05 2 233 29 28 LYS HE3 H 3.05 0.05 2 234 29 28 LYS C C 174.3 0.2 1 235 29 28 LYS CA C 53.8 0.2 1 236 29 28 LYS CB C 32.0 0.2 1 237 29 28 LYS N N 117.2 0.2 1 238 30 29 LEU H H 7.61 0.05 1 239 30 29 LEU HA H 4.80 0.05 1 240 30 29 LEU HB2 H 1.80 0.05 2 241 30 29 LEU HB3 H 1.60 0.05 2 242 30 29 LEU HG H 1.22 0.05 1 243 30 29 LEU HD1 H 0.55 0.05 2 244 30 29 LEU HD2 H 0.43 0.05 2 245 30 29 LEU C C 173.1 0.2 1 246 30 29 LEU CA C 52.7 0.2 1 247 30 29 LEU CB C 40.6 0.2 1 248 30 29 LEU N N 121.6 0.2 1 249 31 30 VAL H H 9.26 0.05 1 250 31 30 VAL HA H 4.40 0.05 1 251 31 30 VAL HB H 1.55 0.05 1 252 31 30 VAL HG1 H 0.83 0.05 2 253 31 30 VAL HG2 H 0.16 0.05 2 254 31 30 VAL C C 171.6 0.2 1 255 31 30 VAL CA C 58.8 0.2 1 256 31 30 VAL CB C 31.2 0.2 1 257 31 30 VAL N N 125.3 0.2 1 258 32 31 PHE H H 9.18 0.05 1 259 32 31 PHE HA H 5.35 0.05 1 260 32 31 PHE HB2 H 2.97 0.05 2 261 32 31 PHE HB3 H 2.60 0.05 2 262 32 31 PHE C C 172.9 0.2 1 263 32 31 PHE CA C 53.7 0.2 1 264 32 31 PHE CB C 38.3 0.2 1 265 32 31 PHE N N 123.4 0.2 1 266 33 32 PHE H H 9.75 0.05 1 267 33 32 PHE HA H 5.00 0.05 1 268 33 32 PHE HB2 H 2.96 0.05 2 269 33 32 PHE HB3 H 2.80 0.05 2 270 33 32 PHE C C 171.8 0.2 1 271 33 32 PHE CA C 54.5 0.2 1 272 33 32 PHE CB C 37.8 0.2 1 273 33 32 PHE N N 123.4 0.2 1 274 34 33 TYR H H 8.80 0.05 1 275 34 33 TYR HA H 4.83 0.05 1 276 34 33 TYR HB2 H 2.74 0.05 2 277 34 33 TYR HB3 H 2.52 0.05 2 278 34 33 TYR C C 170.9 0.2 1 279 34 33 TYR CA C 50.9 0.2 1 280 34 33 TYR CB C 37.3 0.2 1 281 34 33 TYR N N 124.1 0.2 1 282 35 34 PHE H H 9.02 0.05 1 283 35 34 PHE HA H 5.18 0.05 1 284 35 34 PHE HB2 H 2.61 0.05 2 285 35 34 PHE HB3 H 2.21 0.05 2 286 35 34 PHE C C 171.5 0.2 1 287 35 34 PHE CA C 54.1 0.2 1 288 35 34 PHE CB C 37.0 0.2 1 289 35 34 PHE N N 129.1 0.2 1 290 36 35 SER H H 7.33 0.05 1 291 36 35 SER HA H 4.11 0.05 1 292 36 35 SER HB2 H 3.10 0.05 2 293 36 35 SER HB3 H 2.74 0.05 2 294 36 35 SER C C 168.8 0.2 1 295 36 35 SER CA C 53.5 0.2 1 296 36 35 SER CB C 61.2 0.2 1 297 36 35 SER N N 112.5 0.2 1 298 37 36 ALA H H 7.47 0.05 1 299 37 36 ALA HA H 4.91 0.05 1 300 37 36 ALA HB H 0.30 0.05 1 301 37 36 ALA C C 174.6 0.2 1 302 37 36 ALA CA C 49.4 0.2 1 303 37 36 ALA CB C 19.9 0.2 1 304 37 36 ALA N N 120.6 0.2 1 305 38 37 SER H H 10.78 0.05 1 306 38 37 SER HA H 2.69 0.05 1 307 38 37 SER HB2 H 3.79 0.05 2 308 38 37 SER HB3 H 3.60 0.05 2 309 38 37 SER C C 172.7 0.2 1 310 38 37 SER CA C 58.9 0.2 1 311 38 37 SER CB C 60.7 0.2 1 312 38 37 SER N N 120.9 0.2 1 313 39 38 TRP H H 6.54 0.05 1 314 39 38 TRP HA H 4.60 0.05 1 315 39 38 TRP HB2 H 3.78 0.05 2 316 39 38 TRP HB3 H 3.24 0.05 2 317 39 38 TRP C C 173.4 0.2 1 318 39 38 TRP CA C 51.7 0.2 1 319 39 38 TRP CB C 27.3 0.2 1 320 39 38 TRP N N 115.3 0.2 1 321 40 39 CYS H H 6.54 0.05 1 322 40 39 CYS HA H 4.93 0.05 1 323 40 39 CYS HB2 H 3.16 0.05 2 324 40 39 CYS HB3 H 2.77 0.05 2 325 40 39 CYS CA C 50.2 0.2 1 326 40 39 CYS CB C 42.8 0.2 1 327 40 39 CYS N N 121.9 0.2 1 328 42 41 PRO HA H 4.63 0.05 1 329 42 41 PRO HB2 H 2.44 0.05 4 330 42 41 PRO HB3 H 1.80 0.05 4 331 42 41 PRO HG2 H 2.29 0.05 4 332 42 41 PRO HD2 H 4.00 0.05 4 333 42 41 PRO HD3 H 3.82 0.05 4 334 42 41 PRO C C 177.6 0.2 1 335 42 41 PRO CA C 63.3 0.2 1 336 42 41 PRO CB C 27.9 0.2 1 337 43 42 CYS H H 8.47 0.05 1 338 43 42 CYS HA H 4.33 0.05 1 339 43 42 CYS HB2 H 4.08 0.05 2 340 43 42 CYS HB3 H 3.36 0.05 2 341 43 42 CYS C C 174.0 0.2 1 342 43 42 CYS CA C 61.6 0.2 1 343 43 42 CYS CB C 30.7 0.2 1 344 43 42 CYS N N 115.0 0.2 1 345 44 43 ARG H H 8.13 0.05 1 346 44 43 ARG HA H 4.22 0.05 1 347 44 43 ARG HB2 H 2.13 0.05 2 348 44 43 ARG HB3 H 1.99 0.05 2 349 44 43 ARG HG2 H 1.85 0.05 2 350 44 43 ARG HD2 H 3.29 0.05 2 351 44 43 ARG HD3 H 3.14 0.05 2 352 44 43 ARG CA C 57.0 0.2 1 353 44 43 ARG CB C 27.1 0.2 1 354 44 43 ARG N N 120.9 0.2 1 355 46 45 PHE H H 7.70 0.05 1 356 46 45 PHE HA H 4.91 0.05 1 357 46 45 PHE HB2 H 3.38 0.05 2 358 46 45 PHE HB3 H 2.96 0.05 2 359 46 45 PHE CA C 57.5 0.2 1 360 46 45 PHE CB C 38.9 0.2 1 361 46 45 PHE N N 120.0 0.2 1 362 48 47 PRO HA H 4.19 0.05 1 363 48 47 PRO HB2 H 2.41 0.05 4 364 48 47 PRO HB3 H 1.88 0.05 4 365 48 47 PRO HG2 H 2.18 0.05 4 366 48 47 PRO HG3 H 2.02 0.05 4 367 48 47 PRO HD2 H 3.66 0.05 4 368 48 47 PRO HD3 H 3.63 0.05 4 369 48 47 PRO C C 176.6 0.2 1 370 48 47 PRO CA C 64.0 0.2 1 371 48 47 PRO CB C 28.5 0.2 1 372 49 48 GLN H H 7.13 0.05 1 373 49 48 GLN HA H 4.17 0.05 1 374 49 48 GLN HB2 H 2.02 0.05 2 375 49 48 GLN HB3 H 1.83 0.05 2 376 49 48 GLN HG2 H 2.35 0.05 2 377 49 48 GLN C C 176.5 0.2 1 378 49 48 GLN CA C 56.4 0.2 1 379 49 48 GLN CB C 25.4 0.2 1 380 49 48 GLN N N 116.3 0.2 1 381 50 49 LEU H H 7.39 0.05 1 382 50 49 LEU HA H 4.04 0.05 1 383 50 49 LEU HB2 H 1.66 0.05 2 384 50 49 LEU HB3 H 0.43 0.05 2 385 50 49 LEU HG H 1.47 0.05 4 386 50 49 LEU HD1 H 0.52 0.05 4 387 50 49 LEU HD2 H -0.35 0.05 4 388 50 49 LEU C C 176.0 0.2 1 389 50 49 LEU CA C 54.9 0.2 1 390 50 49 LEU CB C 38.4 0.2 1 391 50 49 LEU N N 121.6 0.2 1 392 51 50 ILE H H 8.80 0.05 1 393 51 50 ILE HA H 3.78 0.05 1 394 51 50 ILE HB H 1.82 0.05 1 395 51 50 ILE HG12 H 0.80 0.05 4 396 51 50 ILE HG13 H 0.65 0.05 4 397 51 50 ILE HG2 H 0.50 0.05 4 398 51 50 ILE HD1 H 0.10 0.05 4 399 51 50 ILE C C 174.4 0.2 1 400 51 50 ILE CA C 65.2 0.2 1 401 51 50 ILE CB C 35.0 0.2 1 402 51 50 ILE N N 120.0 0.2 1 403 52 51 GLU H H 7.82 0.05 1 404 52 51 GLU HA H 4.14 0.05 1 405 52 51 GLU HB2 H 2.44 0.05 2 406 52 51 GLU HB3 H 2.29 0.05 2 407 52 51 GLU HG2 H 2.16 0.05 2 408 52 51 GLU HG3 H 2.11 0.05 2 409 52 51 GLU C C 176.1 0.2 1 410 52 51 GLU CA C 57.7 0.2 1 411 52 51 GLU CB C 27.1 0.2 1 412 52 51 GLU N N 118.1 0.2 1 413 53 52 PHE H H 7.79 0.05 1 414 53 52 PHE HA H 4.35 0.05 1 415 53 52 PHE HB2 H 3.50 0.05 2 416 53 52 PHE HB3 H 3.22 0.05 2 417 53 52 PHE C C 175.0 0.2 1 418 53 52 PHE CA C 60.0 0.2 1 419 53 52 PHE CB C 38.9 0.2 1 420 53 52 PHE N N 118.8 0.2 1 421 54 53 TYR H H 9.51 0.05 1 422 54 53 TYR HA H 4.22 0.05 1 423 54 53 TYR HB2 H 3.75 0.05 2 424 54 53 TYR HB3 H 3.36 0.05 2 425 54 53 TYR C C 176.5 0.2 1 426 54 53 TYR CA C 60.2 0.2 1 427 54 53 TYR CB C 38.1 0.2 1 428 54 53 TYR N N 119.7 0.2 1 429 55 54 ASP H H 9.68 0.05 1 430 55 54 ASP HA H 4.45 0.05 1 431 55 54 ASP HB2 H 2.85 0.05 2 432 55 54 ASP HB3 H 2.63 0.05 2 433 55 54 ASP C C 176.8 0.2 1 434 55 54 ASP CA C 55.4 0.2 1 435 55 54 ASP CB C 37.8 0.2 1 436 55 54 ASP N N 122.5 0.2 1 437 56 55 LYS H H 7.60 0.05 1 438 56 55 LYS HA H 3.74 0.05 1 439 56 55 LYS HB2 H 1.05 0.05 2 440 56 55 LYS HB3 H 0.36 0.05 2 441 56 55 LYS HG2 H 1.41 0.05 4 442 56 55 LYS HG3 H 1.24 0.05 4 443 56 55 LYS HD2 H 0.69 0.05 4 444 56 55 LYS HE2 H 2.74 0.05 2 445 56 55 LYS C C 177.5 0.2 1 446 56 55 LYS CA C 57.3 0.2 1 447 56 55 LYS CB C 30.4 0.2 1 448 56 55 LYS N N 116.3 0.2 1 449 57 56 PHE H H 7.87 0.05 1 450 57 56 PHE HA H 4.99 0.05 1 451 57 56 PHE HB2 H 2.77 0.05 2 452 57 56 PHE HB3 H 2.16 0.05 2 453 57 56 PHE C C 174.0 0.2 1 454 57 56 PHE CA C 55.6 0.2 1 455 57 56 PHE CB C 39.2 0.2 1 456 57 56 PHE N N 111.6 0.2 1 457 58 57 HIS H H 8.88 0.05 1 458 58 57 HIS HA H 2.41 0.05 1 459 58 57 HIS HB2 H 2.57 0.05 2 460 58 57 HIS HB3 H 1.71 0.05 2 461 58 57 HIS C C 177.7 0.2 1 462 58 57 HIS CA C 57.2 0.2 1 463 58 57 HIS CB C 22.4 0.2 1 464 58 57 HIS N N 118.4 0.2 1 465 59 58 GLU H H 7.06 0.05 1 466 59 58 GLU HA H 4.07 0.05 1 467 59 58 GLU HB2 H 1.75 0.05 2 468 59 58 GLU HB3 H 1.46 0.05 2 469 59 58 GLU HG2 H 1.69 0.05 2 470 59 58 GLU HG3 H 1.52 0.05 2 471 59 58 GLU C C 176.7 0.2 1 472 59 58 GLU CA C 55.8 0.2 1 473 59 58 GLU CB C 26.8 0.2 1 474 59 58 GLU N N 115.9 0.2 1 475 60 59 SER H H 8.55 0.05 1 476 60 59 SER HA H 4.11 0.05 1 477 60 59 SER HB2 H 3.96 0.05 2 478 60 59 SER HB3 H 3.91 0.05 2 479 60 59 SER C C 174.6 0.2 1 480 60 59 SER CA C 58.9 0.2 1 481 60 59 SER CB C 60.1 0.2 1 482 60 59 SER N N 116.5 0.2 1 483 61 60 LYS H H 8.67 0.05 1 484 61 60 LYS HA H 4.49 0.05 1 485 61 60 LYS HB2 H 1.69 0.05 2 486 61 60 LYS HB3 H 1.40 0.05 4 487 61 60 LYS HG2 H 1.19 0.05 4 488 61 60 LYS HG3 H 1.10 0.05 4 489 61 60 LYS HD2 H 0.91 0.05 4 490 61 60 LYS HD3 H 0.40 0.05 4 491 61 60 LYS C C 172.8 0.2 1 492 61 60 LYS CA C 54.2 0.2 1 493 61 60 LYS CB C 29.0 0.2 1 494 61 60 LYS N N 117.8 0.2 1 495 62 61 ASN H H 7.21 0.05 1 496 62 61 ASN HA H 4.47 0.05 1 497 62 61 ASN HB2 H 3.44 0.05 2 498 62 61 ASN HB3 H 2.38 0.05 2 499 62 61 ASN C C 176.9 0.2 1 500 62 61 ASN CA C 51.6 0.2 1 501 62 61 ASN CB C 35.4 0.2 1 502 62 61 ASN N N 117.5 0.2 1 503 63 62 PHE H H 8.59 0.05 1 504 63 62 PHE HA H 6.35 0.05 1 505 63 62 PHE HB2 H 3.57 0.05 2 506 63 62 PHE HB3 H 3.13 0.05 2 507 63 62 PHE C C 170.5 0.2 1 508 63 62 PHE CA C 52.8 0.2 1 509 63 62 PHE CB C 41.4 0.2 1 510 63 62 PHE N N 112.5 0.2 1 511 64 63 GLU H H 9.21 0.05 1 512 64 63 GLU HA H 5.33 0.05 1 513 64 63 GLU HB2 H 1.88 0.05 2 514 64 63 GLU HB3 H 1.85 0.05 2 515 64 63 GLU HG2 H 2.38 0.05 2 516 64 63 GLU C C 172.1 0.2 1 517 64 63 GLU CA C 50.6 0.2 1 518 64 63 GLU CB C 33.7 0.2 1 519 64 63 GLU N N 119.4 0.2 1 520 65 64 VAL H H 9.66 0.05 1 521 65 64 VAL HA H 4.94 0.05 1 522 65 64 VAL HB H 1.15 0.05 1 523 65 64 VAL HG1 H 0.82 0.05 2 524 65 64 VAL HG2 H -0.54 0.05 2 525 65 64 VAL C C 170.6 0.2 1 526 65 64 VAL CA C 58.7 0.2 1 527 65 64 VAL CB C 32.0 0.2 1 528 65 64 VAL N N 125.0 0.2 1 529 66 65 VAL H H 9.26 0.05 1 530 66 65 VAL HA H 4.25 0.05 1 531 66 65 VAL HB H 1.93 0.05 1 532 66 65 VAL HG1 H 0.83 0.05 2 533 66 65 VAL HG2 H 0.66 0.05 2 534 66 65 VAL C C 173.1 0.2 1 535 66 65 VAL CA C 58.4 0.2 1 536 66 65 VAL CB C 31.5 0.2 1 537 66 65 VAL N N 124.7 0.2 1 538 67 66 PHE H H 10.17 0.05 1 539 67 66 PHE HA H 5.30 0.05 1 540 67 66 PHE HB2 H 3.71 0.05 2 541 67 66 PHE HB3 H 3.57 0.05 2 542 67 66 PHE C C 171.8 0.2 1 543 67 66 PHE CA C 53.8 0.2 1 544 67 66 PHE CB C 37.0 0.2 1 545 67 66 PHE N N 128.8 0.2 1 546 68 67 CYS H H 9.20 0.05 1 547 68 67 CYS HA H 4.20 0.05 1 548 68 67 CYS HB2 H 2.22 0.05 2 549 68 67 CYS HB3 H 2.00 0.05 2 550 68 67 CYS C C 169.7 0.2 1 551 68 67 CYS CA C 55.9 0.2 1 552 68 67 CYS CB C 26.4 0.2 1 553 68 67 CYS N N 133.1 0.2 1 554 69 68 THR H H 8.17 0.05 1 555 69 68 THR HA H 4.31 0.05 1 556 69 68 THR HB H 3.89 0.05 1 557 69 68 THR HG2 H 1.30 0.05 1 558 69 68 THR C C 171.0 0.2 1 559 69 68 THR CA C 59.9 0.2 1 560 69 68 THR CB C 67.2 0.2 1 561 69 68 THR N N 116.9 0.2 1 562 70 69 TRP H H 8.59 0.05 1 563 70 69 TRP HA H 5.25 0.05 1 564 70 69 TRP HB2 H 4.07 0.05 2 565 70 69 TRP HB3 H 2.77 0.05 2 566 70 69 TRP C C 175.1 0.2 1 567 70 69 TRP CA C 53.8 0.2 1 568 70 69 TRP CB C 27.1 0.2 1 569 70 69 TRP N N 123.8 0.2 1 570 71 70 ASP H H 10.12 0.05 1 571 71 70 ASP HA H 4.90 0.05 1 572 71 70 ASP HB2 H 3.30 0.05 2 573 71 70 ASP HB3 H 3.02 0.05 2 574 71 70 ASP C C 173.2 0.2 1 575 71 70 ASP CA C 56.0 0.2 1 576 71 70 ASP CB C 39.7 0.2 1 577 71 70 ASP N N 123.4 0.2 1 578 72 71 GLU H H 9.60 0.05 1 579 72 71 GLU HA H 4.59 0.05 1 580 72 71 GLU HB2 H 2.33 0.05 2 581 72 71 GLU HB3 H 2.10 0.05 2 582 72 71 GLU HG2 H 2.46 0.05 2 583 72 71 GLU C C 173.9 0.2 1 584 72 71 GLU CA C 54.5 0.2 1 585 72 71 GLU CB C 28.4 0.2 1 586 72 71 GLU N N 119.1 0.2 1 587 73 72 GLU H H 8.12 0.05 1 588 73 72 GLU HA H 4.85 0.05 1 589 73 72 GLU HB2 H 2.32 0.05 4 590 73 72 GLU HB3 H 2.19 0.05 4 591 73 72 GLU HG2 H 2.38 0.05 4 592 73 72 GLU C C 174.0 0.2 1 593 73 72 GLU CA C 52.3 0.2 1 594 73 72 GLU CB C 29.0 0.2 1 595 73 72 GLU N N 116.9 0.2 1 596 74 73 GLU H H 8.95 0.05 1 597 74 73 GLU HA H 2.49 0.05 1 598 74 73 GLU HB2 H 1.77 0.05 2 599 74 73 GLU HB3 H 1.55 0.05 2 600 74 73 GLU HG2 H 2.25 0.05 2 601 74 73 GLU C C 175.2 0.2 1 602 74 73 GLU CA C 57.7 0.2 1 603 74 73 GLU CB C 26.5 0.2 1 604 74 73 GLU N N 126.6 0.2 1 605 75 74 ASP H H 8.81 0.05 1 606 75 74 ASP HA H 4.45 0.05 1 607 75 74 ASP HB2 H 2.69 0.05 2 608 75 74 ASP HB3 H 2.66 0.05 2 609 75 74 ASP C C 177.4 0.2 1 610 75 74 ASP CA C 55.2 0.2 1 611 75 74 ASP CB C 37.5 0.2 1 612 75 74 ASP N N 116.9 0.2 1 613 76 75 GLY H H 7.86 0.05 1 614 76 75 GLY HA2 H 4.00 0.05 2 615 76 75 GLY C C 173.9 0.2 1 616 76 75 GLY CA C 44.6 0.2 1 617 76 75 GLY N N 109.1 0.2 1 618 77 76 PHE H H 7.67 0.05 1 619 77 76 PHE HA H 4.58 0.05 1 620 77 76 PHE HB2 H 3.36 0.05 2 621 77 76 PHE HB3 H 3.19 0.05 2 622 77 76 PHE C C 174.1 0.2 1 623 77 76 PHE CA C 59.3 0.2 1 624 77 76 PHE CB C 37.2 0.2 1 625 77 76 PHE N N 120.9 0.2 1 626 78 77 ALA H H 9.39 0.05 1 627 78 77 ALA HA H 3.82 0.05 1 628 78 77 ALA HB H 1.66 0.05 1 629 78 77 ALA C C 179.6 0.2 1 630 78 77 ALA CA C 53.4 0.2 1 631 78 77 ALA CB C 16.0 0.2 1 632 78 77 ALA N N 121.9 0.2 1 633 79 78 GLY H H 8.19 0.05 1 634 79 78 GLY HA2 H 3.91 0.05 2 635 79 78 GLY HA3 H 4.00 0.05 2 636 79 78 GLY C C 172.3 0.2 1 637 79 78 GLY CA C 44.4 0.2 1 638 79 78 GLY N N 103.7 0.2 1 639 80 79 TYR H H 7.51 0.05 1 640 80 79 TYR HA H 4.82 0.05 1 641 80 79 TYR HB2 H 3.29 0.05 2 642 80 79 TYR HB3 H 3.16 0.05 2 643 80 79 TYR C C 175.4 0.2 1 644 80 79 TYR CA C 55.0 0.2 1 645 80 79 TYR CB C 37.5 0.2 1 646 80 79 TYR N N 121.6 0.2 1 647 81 80 PHE H H 9.16 0.05 1 648 81 80 PHE HA H 4.38 0.05 1 649 81 80 PHE HB2 H 2.66 0.05 2 650 81 80 PHE HB3 H 2.38 0.05 2 651 81 80 PHE C C 175.5 0.2 1 652 81 80 PHE CA C 56.4 0.2 1 653 81 80 PHE CB C 35.9 0.2 1 654 81 80 PHE N N 118.8 0.2 1 655 82 81 ALA H H 7.46 0.05 1 656 82 81 ALA HA H 3.75 0.05 1 657 82 81 ALA HB H 1.40 0.05 1 658 82 81 ALA C C 175.7 0.2 1 659 82 81 ALA CA C 51.8 0.2 1 660 82 81 ALA CB C 15.6 0.2 1 661 82 81 ALA N N 117.2 0.2 1 662 83 82 LYS H H 6.90 0.05 1 663 83 82 LYS HA H 4.10 0.05 1 664 83 82 LYS HB2 H 1.90 0.05 2 665 83 82 LYS HB3 H 1.66 0.05 2 666 83 82 LYS HG2 H 1.52 0.05 4 667 83 82 LYS HG3 H 1.37 0.05 4 668 83 82 LYS HE2 H 3.00 0.05 2 669 83 82 LYS C C 173.4 0.2 1 670 83 82 LYS CA C 52.6 0.2 1 671 83 82 LYS CB C 29.5 0.2 1 672 83 82 LYS N N 113.1 0.2 1 673 84 83 MET H H 7.44 0.05 1 674 84 83 MET HA H 3.64 0.05 1 675 84 83 MET HB2 H 1.46 0.05 2 676 84 83 MET HB3 H -0.31 0.05 2 677 84 83 MET HG2 H 2.30 0.05 2 678 84 83 MET HG3 H 1.52 0.05 2 679 84 83 MET CA C 50.2 0.2 1 680 84 83 MET CB C 29.0 0.2 1 681 84 83 MET N N 116.9 0.2 1 682 85 84 PRO HA H 4.41 0.05 1 683 85 84 PRO HB2 H 2.31 0.05 4 684 85 84 PRO HB3 H 1.95 0.05 4 685 85 84 PRO HG2 H 2.03 0.05 4 686 85 84 PRO HD2 H 3.80 0.05 4 687 85 84 PRO HD3 H 3.65 0.05 4 688 85 84 PRO C C 172.6 0.2 1 689 85 84 PRO CA C 60.6 0.2 1 690 85 84 PRO CB C 29.7 0.2 1 691 86 85 TRP H H 5.53 0.05 1 692 86 85 TRP HA H 5.00 0.05 1 693 86 85 TRP HB2 H 4.16 0.05 2 694 86 85 TRP HB3 H 2.35 0.05 2 695 86 85 TRP C C 171.4 0.2 1 696 86 85 TRP CA C 53.1 0.2 1 697 86 85 TRP CB C 24.6 0.2 1 698 86 85 TRP N N 117.2 0.2 1 699 87 86 LEU H H 8.53 0.05 1 700 87 86 LEU HA H 6.10 0.05 1 701 87 86 LEU HB2 H 2.22 0.05 4 702 87 86 LEU HB3 H 1.58 0.05 4 703 87 86 LEU HG H 1.94 0.05 4 704 87 86 LEU HD1 H 0.91 0.05 4 705 87 86 LEU C C 176.8 0.2 1 706 87 86 LEU CA C 51.8 0.2 1 707 87 86 LEU CB C 42.8 0.2 1 708 87 86 LEU N N 117.5 0.2 1 709 88 87 ALA H H 8.97 0.05 1 710 88 87 ALA HA H 5.26 0.05 1 711 88 87 ALA HB H 0.88 0.05 1 712 88 87 ALA C C 174.8 0.2 1 713 88 87 ALA CA C 49.6 0.2 1 714 88 87 ALA CB C 19.1 0.2 1 715 88 87 ALA N N 117.5 0.2 1 716 89 88 VAL H H 7.33 0.05 1 717 89 88 VAL HA H 4.05 0.05 1 718 89 88 VAL HB H 1.99 0.05 1 719 89 88 VAL HG1 H 0.94 0.05 2 720 89 88 VAL HG2 H 0.82 0.05 2 721 89 88 VAL CA C 59.2 0.2 1 722 89 88 VAL CB C 29.9 0.2 1 723 89 88 VAL N N 122.2 0.2 1 724 90 89 PRO HA H 4.07 0.05 1 725 90 89 PRO HB2 H 2.44 0.05 4 726 90 89 PRO HB3 H 1.86 0.05 4 727 90 89 PRO HG2 H 2.31 0.05 4 728 90 89 PRO HG3 H 1.98 0.05 4 729 90 89 PRO HD2 H 3.61 0.05 4 730 90 89 PRO C C 174.3 0.2 1 731 90 89 PRO CA C 60.7 0.2 1 732 90 89 PRO CB C 29.7 0.2 1 733 91 90 PHE H H 8.27 0.05 1 734 91 90 PHE HA H 4.64 0.05 1 735 91 90 PHE HB2 H 2.38 0.05 2 736 91 90 PHE HB3 H 2.19 0.05 2 737 91 90 PHE C C 175.2 0.2 1 738 91 90 PHE CA C 60.1 0.2 1 739 91 90 PHE CB C 36.4 0.2 1 740 91 90 PHE N N 124.7 0.2 1 741 92 91 ALA H H 8.73 0.05 1 742 92 91 ALA HA H 4.90 0.05 1 743 92 91 ALA HB H 1.51 0.05 1 744 92 91 ALA C C 176.5 0.2 1 745 92 91 ALA CA C 51.6 0.2 1 746 92 91 ALA CB C 16.0 0.2 1 747 92 91 ALA N N 117.2 0.2 1 748 93 92 GLN H H 7.75 0.05 1 749 93 92 GLN HA H 4.64 0.05 1 750 93 92 GLN HB2 H 2.44 0.05 2 751 93 92 GLN HB3 H 1.75 0.05 2 752 93 92 GLN HG2 H 2.25 0.05 2 753 93 92 GLN HG3 H 2.19 0.05 2 754 93 92 GLN C C 173.2 0.2 1 755 93 92 GLN CA C 52.3 0.2 1 756 93 92 GLN CB C 24.0 0.2 1 757 93 92 GLN N N 116.6 0.2 1 758 94 93 SER H H 7.20 0.05 1 759 94 93 SER HA H 3.87 0.05 1 760 94 93 SER HB2 H 3.69 0.05 2 761 94 93 SER HB3 H 3.57 0.05 2 762 94 93 SER C C 174.3 0.2 1 763 94 93 SER CA C 60.1 0.2 1 764 94 93 SER CB C 60.1 0.2 1 765 94 93 SER N N 114.4 0.2 1 766 95 94 GLU H H 8.95 0.05 1 767 95 94 GLU HA H 4.02 0.05 1 768 95 94 GLU HB2 H 2.04 0.05 2 769 95 94 GLU HB3 H 1.95 0.05 2 770 95 94 GLU HG2 H 2.30 0.05 2 771 95 94 GLU HG3 H 2.19 0.05 2 772 95 94 GLU C C 176.3 0.2 1 773 95 94 GLU CA C 57.7 0.2 1 774 95 94 GLU CB C 26.2 0.2 1 775 95 94 GLU N N 123.4 0.2 1 776 96 95 ALA H H 7.89 0.05 1 777 96 95 ALA HA H 4.17 0.05 1 778 96 95 ALA HB H 1.58 0.05 1 779 96 95 ALA C C 179.3 0.2 1 780 96 95 ALA CA C 52.7 0.2 1 781 96 95 ALA CB C 15.8 0.2 1 782 96 95 ALA N N 120.3 0.2 1 783 97 96 VAL H H 7.47 0.05 1 784 97 96 VAL HA H 3.61 0.05 1 785 97 96 VAL HB H 2.58 0.05 1 786 97 96 VAL HG1 H 1.02 0.05 2 787 97 96 VAL HG2 H 1.19 0.05 2 788 97 96 VAL C C 176.9 0.2 1 789 97 96 VAL CA C 64.9 0.2 1 790 97 96 VAL CB C 28.3 0.2 1 791 97 96 VAL N N 117.8 0.2 1 792 98 97 GLN H H 8.50 0.05 1 793 98 97 GLN HA H 4.07 0.05 1 794 98 97 GLN HB2 H 2.23 0.05 4 795 98 97 GLN HB3 H 2.14 0.05 4 796 98 97 GLN HG2 H 2.44 0.05 4 797 98 97 GLN HG3 H 2.34 0.05 4 798 98 97 GLN C C 176.8 0.2 1 799 98 97 GLN CA C 57.2 0.2 1 800 98 97 GLN CB C 25.1 0.2 1 801 98 97 GLN N N 124.1 0.2 1 802 99 98 LYS H H 8.27 0.05 1 803 99 98 LYS HA H 4.02 0.05 1 804 99 98 LYS HB2 H 1.94 0.05 2 805 99 98 LYS HG2 H 1.69 0.05 4 806 99 98 LYS HD2 H 1.47 0.05 4 807 99 98 LYS HE2 H 2.96 0.05 2 808 99 98 LYS C C 177.4 0.2 1 809 99 98 LYS CA C 57.8 0.2 1 810 99 98 LYS CB C 29.8 0.2 1 811 99 98 LYS N N 119.1 0.2 1 812 100 99 LEU H H 8.15 0.05 1 813 100 99 LEU HA H 4.26 0.05 1 814 100 99 LEU HB2 H 2.04 0.05 2 815 100 99 LEU HB3 H 1.94 0.05 2 816 100 99 LEU HG H 1.88 0.05 1 817 100 99 LEU HD1 H 0.83 0.05 2 818 100 99 LEU HD2 H 0.43 0.05 2 819 100 99 LEU C C 176.4 0.2 1 820 100 99 LEU CA C 55.5 0.2 1 821 100 99 LEU CB C 40.8 0.2 1 822 100 99 LEU N N 122.2 0.2 1 823 101 100 SER H H 8.81 0.05 1 824 101 100 SER HA H 3.86 0.05 1 825 101 100 SER HB2 H 3.69 0.05 2 826 101 100 SER HB3 H 3.57 0.05 2 827 101 100 SER C C 173.5 0.2 1 828 101 100 SER CA C 60.0 0.2 1 829 101 100 SER CB C 60.9 0.2 1 830 101 100 SER N N 114.7 0.2 1 831 102 101 LYS H H 7.82 0.05 1 832 102 101 LYS HA H 4.28 0.05 5 833 102 101 LYS HB2 H 1.94 0.05 5 834 102 101 LYS HG2 H 1.74 0.05 5 835 102 101 LYS HG3 H 1.68 0.05 5 836 102 101 LYS HD2 H 1.57 0.05 5 837 102 101 LYS HD3 H 1.50 0.05 5 838 102 101 LYS HE2 H 3.04 0.05 5 839 102 101 LYS HE3 H 2.96 0.05 5 840 102 101 LYS C C 177.8 0.2 1 841 102 101 LYS CA C 56.5 0.2 1 842 102 101 LYS CB C 29.5 0.2 1 843 102 101 LYS N N 119.7 0.2 1 844 103 102 HIS H H 8.48 0.05 1 845 103 102 HIS HA H 4.09 0.05 1 846 103 102 HIS HB2 H 3.14 0.05 2 847 103 102 HIS C C 174.7 0.2 1 848 103 102 HIS CA C 58.1 0.2 1 849 103 102 HIS CB C 27.9 0.2 1 850 103 102 HIS N N 120.9 0.2 1 851 104 103 PHE H H 7.68 0.05 1 852 104 103 PHE HA H 4.70 0.05 1 853 104 103 PHE HB2 H 3.50 0.05 2 854 104 103 PHE HB3 H 2.58 0.05 2 855 104 103 PHE C C 171.7 0.2 1 856 104 103 PHE CA C 55.4 0.2 1 857 104 103 PHE CB C 37.5 0.2 1 858 104 103 PHE N N 111.9 0.2 1 859 105 104 ASN H H 8.01 0.05 1 860 105 104 ASN HA H 4.33 0.05 1 861 105 104 ASN HB2 H 3.13 0.05 2 862 105 104 ASN HB3 H 2.72 0.05 2 863 105 104 ASN C C 171.7 0.2 1 864 105 104 ASN CA C 52.0 0.2 1 865 105 104 ASN CB C 34.5 0.2 1 866 105 104 ASN N N 117.8 0.2 1 867 106 105 VAL H H 8.66 0.05 1 868 106 105 VAL HA H 3.79 0.05 1 869 106 105 VAL HB H 1.94 0.05 1 870 106 105 VAL HG1 H 0.51 0.05 2 871 106 105 VAL HG2 H 0.32 0.05 2 872 106 105 VAL C C 173.2 0.2 1 873 106 105 VAL CA C 61.7 0.2 1 874 106 105 VAL CB C 28.2 0.2 1 875 106 105 VAL N N 117.8 0.2 1 876 107 106 GLU H H 8.45 0.05 1 877 107 106 GLU HA H 4.61 0.05 1 878 107 106 GLU HB2 H 2.18 0.05 2 879 107 106 GLU HB3 H 1.96 0.05 2 880 107 106 GLU HG2 H 2.32 0.05 2 881 107 106 GLU C C 173.7 0.2 1 882 107 106 GLU CA C 54.1 0.2 1 883 107 106 GLU CB C 29.0 0.2 1 884 107 106 GLU N N 126.9 0.2 1 885 108 107 SER H H 7.80 0.05 1 886 108 107 SER HA H 4.76 0.05 1 887 108 107 SER HB2 H 3.77 0.05 2 888 108 107 SER C C 169.1 0.2 1 889 108 107 SER CA C 54.1 0.2 1 890 108 107 SER CB C 62.9 0.2 1 891 108 107 SER N N 112.2 0.2 1 892 109 108 ILE H H 8.00 0.05 1 893 109 108 ILE HA H 4.07 0.05 1 894 109 108 ILE HB H 1.30 0.05 1 895 109 108 ILE HG12 H 1.45 0.05 4 896 109 108 ILE HG13 H 0.83 0.05 4 897 109 108 ILE HG2 H -0.76 0.05 4 898 109 108 ILE HD1 H 0.30 0.05 4 899 109 108 ILE CA C 56.0 0.2 1 900 109 108 ILE CB C 38.1 0.2 1 901 109 108 ILE N N 113.1 0.2 1 902 110 109 PRO HA H 4.94 0.05 1 903 110 109 PRO HB2 H 2.51 0.05 4 904 110 109 PRO HB3 H 1.86 0.05 4 905 110 109 PRO HG2 H 1.71 0.05 4 906 110 109 PRO HG3 H 1.65 0.05 4 907 110 109 PRO HD2 H 3.61 0.05 4 908 110 109 PRO HD3 H 3.31 0.05 4 909 110 109 PRO C C 173.6 0.2 1 910 110 109 PRO CA C 59.1 0.2 1 911 110 109 PRO CB C 33.9 0.2 1 912 111 110 THR H H 8.33 0.05 1 913 111 110 THR HA H 4.35 0.05 1 914 111 110 THR HB H 3.83 0.05 1 915 111 110 THR HG2 H 1.35 0.05 1 916 111 110 THR C C 168.8 0.2 1 917 111 110 THR CA C 61.5 0.2 1 918 111 110 THR CB C 71.0 0.2 1 919 111 110 THR N N 116.9 0.2 1 920 112 111 LEU H H 8.93 0.05 1 921 112 111 LEU HA H 5.69 0.05 1 922 112 111 LEU HB2 H 1.77 0.05 4 923 112 111 LEU HB3 H 1.32 0.05 4 924 112 111 LEU HG H 1.10 0.05 4 925 112 111 LEU HD1 H 0.68 0.05 2 926 112 111 LEU HD2 H 0.41 0.05 2 927 112 111 LEU C C 171.2 0.2 1 928 112 111 LEU CA C 51.8 0.2 1 929 112 111 LEU CB C 45.0 0.2 1 930 112 111 LEU N N 130.0 0.2 1 931 113 112 ILE H H 8.74 0.05 1 932 113 112 ILE HA H 4.83 0.05 1 933 113 112 ILE HB H 1.72 0.05 1 934 113 112 ILE HG12 H 1.40 0.05 4 935 113 112 ILE HG13 H 1.22 0.05 4 936 113 112 ILE HG2 H 0.30 0.05 4 937 113 112 ILE HD1 H 0.15 0.05 4 938 113 112 ILE C C 172.8 0.2 1 939 113 112 ILE CA C 57.1 0.2 1 940 113 112 ILE CB C 39.2 0.2 1 941 113 112 ILE N N 125.5 0.2 1 942 114 113 GLY H H 9.66 0.05 1 943 114 113 GLY HA2 H 4.78 0.05 2 944 114 113 GLY HA3 H 2.50 0.05 2 945 114 113 GLY C C 170.0 0.2 1 946 114 113 GLY CA C 42.9 0.2 1 947 114 113 GLY N N 113.4 0.2 1 948 115 114 VAL H H 9.25 0.05 1 949 115 114 VAL HA H 4.98 0.05 1 950 115 114 VAL HB H 1.93 0.05 1 951 115 114 VAL HG1 H 0.76 0.05 2 952 115 114 VAL HG2 H 0.61 0.05 2 953 115 114 VAL C C 170.9 0.2 1 954 115 114 VAL CA C 56.3 0.2 1 955 115 114 VAL CB C 32.3 0.2 1 956 115 114 VAL N N 120.3 0.2 1 957 116 115 ASP H H 8.92 0.05 1 958 116 115 ASP HA H 4.73 0.05 1 959 116 115 ASP HB2 H 2.80 0.05 2 960 116 115 ASP HB3 H 2.47 0.05 2 961 116 115 ASP C C 174.2 0.2 1 962 116 115 ASP CA C 51.9 0.2 1 963 116 115 ASP CB C 40.6 0.2 1 964 116 115 ASP N N 124.1 0.2 1 965 117 116 ALA H H 8.41 0.05 1 966 117 116 ALA HA H 3.79 0.05 1 967 117 116 ALA HB H 1.47 0.05 1 968 117 116 ALA C C 176.4 0.2 1 969 117 116 ALA CA C 54.1 0.2 1 970 117 116 ALA CB C 17.4 0.2 1 971 117 116 ALA N N 129.7 0.2 1 972 118 117 ASP H H 8.80 0.05 1 973 118 117 ASP HA H 4.54 0.05 1 974 118 117 ASP HB2 H 2.80 0.05 2 975 118 117 ASP HB3 H 2.72 0.05 2 976 118 117 ASP C C 176.1 0.2 1 977 118 117 ASP CA C 55.1 0.2 1 978 118 117 ASP CB C 37.2 0.2 1 979 118 117 ASP N N 115.0 0.2 1 980 119 118 SER H H 8.40 0.05 1 981 119 118 SER HA H 4.47 0.05 1 982 119 118 SER HB2 H 3.97 0.05 2 983 119 118 SER HB3 H 3.93 0.05 2 984 119 118 SER C C 174.5 0.2 1 985 119 118 SER CA C 57.2 0.2 1 986 119 118 SER CB C 62.8 0.2 1 987 119 118 SER N N 112.5 0.2 1 988 120 119 GLY H H 8.59 0.05 1 989 120 119 GLY HA2 H 4.39 0.05 2 990 120 119 GLY HA3 H 3.80 0.05 2 991 120 119 GLY C C 171.1 0.2 1 992 120 119 GLY CA C 43.8 0.2 1 993 120 119 GLY N N 111.9 0.2 1 994 121 120 ASP H H 8.71 0.05 1 995 121 120 ASP HA H 4.55 0.05 1 996 121 120 ASP HB2 H 2.63 0.05 2 997 121 120 ASP HB3 H 2.55 0.05 2 998 121 120 ASP C C 173.4 0.2 1 999 121 120 ASP CA C 53.1 0.2 1 1000 121 120 ASP CB C 37.8 0.2 1 1001 121 120 ASP N N 122.8 0.2 1 1002 122 121 VAL H H 8.85 0.05 1 1003 122 121 VAL HA H 3.91 0.05 1 1004 122 121 VAL HB H 2.16 0.05 1 1005 122 121 VAL HG1 H 1.35 0.05 2 1006 122 121 VAL HG2 H 0.88 0.05 2 1007 122 121 VAL C C 173.7 0.2 1 1008 122 121 VAL CA C 62.0 0.2 1 1009 122 121 VAL CB C 29.3 0.2 1 1010 122 121 VAL N N 121.6 0.2 1 1011 123 122 VAL H H 9.00 0.05 1 1012 123 122 VAL HA H 3.96 0.05 1 1013 123 122 VAL HB H 1.40 0.05 1 1014 123 122 VAL HG1 H 0.83 0.05 2 1015 123 122 VAL HG2 H 0.69 0.05 2 1016 123 122 VAL C C 172.9 0.2 1 1017 123 122 VAL CA C 62.2 0.2 1 1018 123 122 VAL CB C 31.4 0.2 1 1019 123 122 VAL N N 129.4 0.2 1 1020 124 123 THR H H 7.72 0.05 1 1021 124 123 THR HA H 5.14 0.05 1 1022 124 123 THR HB H 4.35 0.05 1 1023 124 123 THR HG2 H 1.40 0.05 1 1024 124 123 THR C C 170.8 0.2 1 1025 124 123 THR CA C 56.6 0.2 1 1026 124 123 THR CB C 66.9 0.2 1 1027 124 123 THR N N 110.9 0.2 1 1028 125 124 THR H H 10.29 0.05 1 1029 125 124 THR HA H 4.93 0.05 1 1030 125 124 THR HB H 4.52 0.05 1 1031 125 124 THR HG2 H 1.25 0.05 1 1032 125 124 THR C C 173.4 0.2 1 1033 125 124 THR CA C 59.2 0.2 1 1034 125 124 THR CB C 67.5 0.2 1 1035 125 124 THR N N 119.1 0.2 1 1036 126 125 ARG H H 8.12 0.05 1 1037 126 125 ARG HA H 4.97 0.05 1 1038 126 125 ARG HB2 H 2.02 0.05 2 1039 126 125 ARG HB3 H 1.86 0.05 2 1040 126 125 ARG HG2 H 1.58 0.05 2 1041 126 125 ARG HD2 H 3.19 0.05 2 1042 126 125 ARG HD3 H 3.14 0.05 2 1043 126 125 ARG C C 174.0 0.2 1 1044 126 125 ARG CA C 52.9 0.2 1 1045 126 125 ARG CB C 28.2 0.2 1 1046 126 125 ARG N N 119.4 0.2 1 1047 127 126 ALA H H 7.02 0.05 1 1048 127 126 ALA HA H 4.16 0.05 1 1049 127 126 ALA HB H 1.32 0.05 1 1050 127 126 ALA C C 174.3 0.2 1 1051 127 126 ALA CA C 51.5 0.2 1 1052 127 126 ALA CB C 16.6 0.2 1 1053 127 126 ALA N N 120.6 0.2 1 1054 128 127 ARG H H 8.45 0.05 1 1055 128 127 ARG HA H 3.67 0.05 1 1056 128 127 ARG HB2 H 1.57 0.05 2 1057 128 127 ARG HB3 H 1.35 0.05 2 1058 128 127 ARG HG2 H 0.80 0.05 2 1059 128 127 ARG HG3 H 0.43 0.05 2 1060 128 127 ARG HD2 H 2.72 0.05 2 1061 128 127 ARG HD3 H 2.50 0.05 2 1062 128 127 ARG C C 174.4 0.2 1 1063 128 127 ARG CA C 56.5 0.2 1 1064 128 127 ARG CB C 26.8 0.2 1 1065 128 127 ARG N N 116.6 0.2 1 1066 129 128 ALA H H 7.37 0.05 1 1067 129 128 ALA HA H 4.07 0.05 1 1068 129 128 ALA HB H 1.35 0.05 1 1069 129 128 ALA C C 178.0 0.2 1 1070 129 128 ALA CA C 51.1 0.2 1 1071 129 128 ALA CB C 16.6 0.2 1 1072 129 128 ALA N N 117.2 0.2 1 1073 130 129 THR H H 7.65 0.05 1 1074 130 129 THR HA H 3.58 0.05 1 1075 130 129 THR HB H 2.85 0.05 1 1076 130 129 THR HG2 H 0.86 0.05 1 1077 130 129 THR C C 174.4 0.2 1 1078 130 129 THR CA C 62.0 0.2 1 1079 130 129 THR CB C 65.6 0.2 1 1080 130 129 THR N N 109.1 0.2 1 1081 131 130 LEU H H 7.54 0.05 1 1082 131 130 LEU HA H 3.19 0.05 1 1083 131 130 LEU HB2 H 1.18 0.05 2 1084 131 130 LEU HB3 H 0.88 0.05 2 1085 131 130 LEU HG H 1.02 0.05 1 1086 131 130 LEU HD1 H 0.36 0.05 2 1087 131 130 LEU HD2 H 0.24 0.05 2 1088 131 130 LEU C C 176.1 0.2 1 1089 131 130 LEU CA C 56.3 0.2 1 1090 131 130 LEU CB C 38.9 0.2 1 1091 131 130 LEU N N 123.1 0.2 1 1092 132 131 VAL H H 6.31 0.05 1 1093 132 131 VAL HA H 3.72 0.05 1 1094 132 131 VAL HB H 2.15 0.05 1 1095 132 131 VAL HG1 H 1.05 0.05 2 1096 132 131 VAL C C 174.7 0.2 1 1097 132 131 VAL CA C 62.3 0.2 1 1098 132 131 VAL CB C 28.7 0.2 1 1099 132 131 VAL N N 108.7 0.2 1 1100 133 132 LYS H H 6.69 0.05 1 1101 133 132 LYS HA H 4.38 0.05 1 1102 133 132 LYS HB2 H 1.96 0.05 2 1103 133 132 LYS HB3 H 1.70 0.05 2 1104 133 132 LYS HG2 H 1.64 0.05 4 1105 133 132 LYS HG3 H 1.47 0.05 4 1106 133 132 LYS HD2 H 1.43 0.05 4 1107 133 132 LYS HE2 H 2.97 0.05 2 1108 133 132 LYS C C 172.8 0.2 1 1109 133 132 LYS CA C 53.4 0.2 1 1110 133 132 LYS CB C 30.6 0.2 1 1111 133 132 LYS N N 115.6 0.2 1 1112 134 133 ASP H H 7.67 0.05 1 1113 134 133 ASP HA H 5.30 0.05 1 1114 134 133 ASP HB2 H 2.99 0.05 2 1115 134 133 ASP HB3 H 2.47 0.05 2 1116 134 133 ASP CA C 49.8 0.2 1 1117 134 133 ASP CB C 39.5 0.2 1 1118 134 133 ASP N N 119.1 0.2 1 1119 135 134 PRO HA H 4.63 0.05 1 1120 135 134 PRO HB2 H 2.47 0.05 4 1121 135 134 PRO HB3 H 2.18 0.05 4 1122 135 134 PRO HG2 H 2.09 0.05 4 1123 135 134 PRO HD2 H 3.86 0.05 4 1124 135 134 PRO HD3 H 3.37 0.05 4 1125 135 134 PRO C C 175.9 0.2 1 1126 135 134 PRO CA C 62.9 0.2 1 1127 135 134 PRO CB C 29.3 0.2 1 1128 136 135 GLU H H 8.73 0.05 1 1129 136 135 GLU HA H 4.97 0.05 1 1130 136 135 GLU HB2 H 2.02 0.05 2 1131 136 135 GLU HB3 H 1.86 0.05 2 1132 136 135 GLU HG2 H 2.49 0.05 2 1133 136 135 GLU HG3 H 2.33 0.05 2 1134 136 135 GLU C C 174.6 0.2 1 1135 136 135 GLU CA C 52.6 0.2 1 1136 136 135 GLU CB C 26.0 0.2 1 1137 136 135 GLU N N 113.4 0.2 1 1138 137 136 GLY H H 8.80 0.05 1 1139 137 136 GLY HA2 H 4.02 0.05 2 1140 137 136 GLY HA3 H 3.33 0.05 2 1141 137 136 GLY C C 173.9 0.2 1 1142 137 136 GLY CA C 46.0 0.2 1 1143 137 136 GLY N N 108.4 0.2 1 1144 138 137 GLU H H 10.05 0.05 1 1145 138 137 GLU HA H 4.00 0.05 1 1146 138 137 GLU HB2 H 2.36 0.05 2 1147 138 137 GLU HB3 H 2.24 0.05 2 1148 138 137 GLU HG2 H 2.15 0.05 2 1149 138 137 GLU HG3 H 2.11 0.05 2 1150 138 137 GLU C C 176.9 0.2 1 1151 138 137 GLU CA C 57.3 0.2 1 1152 138 137 GLU CB C 27.3 0.2 1 1153 138 137 GLU N N 123.4 0.2 1 1154 139 138 GLN H H 10.52 0.05 1 1155 139 138 GLN HA H 4.50 0.05 1 1156 139 138 GLN HB2 H 2.61 0.05 2 1157 139 138 GLN HB3 H 2.01 0.05 2 1158 139 138 GLN HG2 H 2.35 0.05 2 1159 139 138 GLN C C 173.2 0.2 1 1160 139 138 GLN CA C 51.7 0.2 1 1161 139 138 GLN CB C 26.2 0.2 1 1162 139 138 GLN N N 116.3 0.2 1 1163 140 139 PHE H H 6.74 0.05 1 1164 140 139 PHE HA H 2.35 0.05 1 1165 140 139 PHE HB2 H 2.68 0.05 2 1166 140 139 PHE HB3 H 2.08 0.05 2 1167 140 139 PHE CA C 53.8 0.2 1 1168 140 139 PHE CB C 37.2 0.2 1 1169 140 139 PHE N N 122.5 0.2 1 1170 141 140 PRO HB2 H 1.70 0.05 4 1171 141 140 PRO HB3 H 0.22 0.05 4 1172 141 140 PRO HG2 H 1.62 0.05 4 1173 141 140 PRO HD2 H 2.29 0.05 4 1174 141 140 PRO C C 168.9 0.2 1 1175 141 140 PRO CA C 61.2 0.2 1 1176 141 140 PRO CB C 28.4 0.2 1 1177 142 141 TRP H H 8.64 0.05 1 1178 142 141 TRP HA H 4.16 0.05 1 1179 142 141 TRP HB2 H 3.66 0.05 2 1180 142 141 TRP HB3 H 2.82 0.05 2 1181 142 141 TRP C C 174.8 0.2 1 1182 142 141 TRP CA C 55.2 0.2 1 1183 142 141 TRP CB C 21.1 0.2 1 1184 142 141 TRP N N 117.8 0.2 1 1185 143 142 LYS H H 7.96 0.05 1 1186 143 142 LYS HA H 4.12 0.05 1 1187 143 142 LYS HB2 H 1.77 0.05 2 1188 143 142 LYS HB3 H 1.58 0.05 2 1189 143 142 LYS HG2 H 1.47 0.05 4 1190 143 142 LYS HD2 H 1.71 0.05 4 1191 143 142 LYS HE2 H 2.97 0.05 2 1192 143 142 LYS C C 175.7 0.2 1 1193 143 142 LYS CA C 55.2 0.2 1 1194 143 142 LYS CB C 30.6 0.2 1 1195 143 142 LYS N N 118.4 0.2 1 1196 144 143 ASP H H 8.26 0.05 1 1197 144 143 ASP HA H 4.54 0.05 1 1198 144 143 ASP HB2 H 2.71 0.05 2 1199 144 143 ASP HB3 H 2.55 0.05 2 1200 144 143 ASP C C 173.5 0.2 1 1201 144 143 ASP CA C 52.9 0.2 1 1202 144 143 ASP CB C 38.1 0.2 1 1203 144 143 ASP N N 124.1 0.2 1 1204 145 144 ALA H H 8.44 0.05 1 1205 145 144 ALA HA H 4.64 0.05 1 1206 145 144 ALA HB H 1.38 0.05 1 1207 145 144 ALA CA C 48.0 0.2 1 1208 145 144 ALA CB C 15.9 0.2 1 1209 145 144 ALA N N 124.4 0.2 1 1210 146 145 PRO HA H 4.40 0.05 1 1211 146 145 PRO HB2 H 2.08 0.05 4 1212 146 145 PRO HB3 H 1.92 0.05 4 1213 146 145 PRO HG2 H 1.16 0.05 4 1214 146 145 PRO HG3 H 1.08 0.05 4 1215 146 145 PRO HD2 H 2.84 0.05 4 1216 146 145 PRO C C 174.4 0.2 1 1217 146 145 PRO CA C 60.7 0.2 1 1218 146 145 PRO CB C 29.5 0.2 1 1219 147 146 LEU H H 8.41 0.05 1 1220 147 146 LEU HA H 4.31 0.05 1 1221 147 146 LEU HB2 H 1.65 0.05 2 1222 147 146 LEU HG H 0.96 0.05 4 1223 147 146 LEU HD1 H 0.90 0.05 4 1224 147 146 LEU C C 174.1 0.2 1 1225 147 146 LEU CA C 53.1 0.2 1 1226 147 146 LEU CB C 39.9 0.2 1 1227 147 146 LEU N N 122.2 0.2 1 1228 148 147 GLU H H 7.86 0.05 1 1229 148 147 GLU HA H 4.14 0.05 1 1230 148 147 GLU HB2 H 2.05 0.05 2 1231 148 147 GLU HB3 H 1.88 0.05 2 1232 148 147 GLU HG2 H 2.18 0.05 2 1233 148 147 GLU CA C 55.6 0.2 1 1234 148 147 GLU CB C 28.8 0.2 1 1235 148 147 GLU N N 125.3 0.2 1 stop_ save_