data_18836 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of 8M urea denatured S-YibK-C variant from Haemophilus influenzae (HI0766) ; _BMRB_accession_number 18836 _BMRB_flat_file_name bmr18836.str _Entry_type original _Submission_date 2012-11-12 _Accession_date 2012-11-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Characterisation of knotted proteins in chemically denatured states' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hsieh 'Shu-Ju Micky' . . 2 Chien 'Chih-Ta Henry' . . 3 Hsu 'Shang-Te Danny' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 283 "13C chemical shifts" 387 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-30 original BMRB . stop_ _Original_release_date 2012-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C and 15N assignments of YibK and avariant containing a unique cysteine residue at C-terminus in 8 M urea-denatured states ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23853076 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hsieh 'Shu-Ju Micky' . . 2 Mallam Anna L. . 3 Jackson Sophie E. . 4 Hsu 'Shang-Te Danny' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 439 _Page_last 442 _Year 2014 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title ; Experimental detection of knotted conformations in denatured proteins. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20393125 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallam AL . . 2 Rogers JM . . 3 Jackson SE . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 107 _Journal_issue 18 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 8189 _Page_last 8194 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name S-YibK-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S-YibK-C $S-YibK-C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S-YibK-C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S-YibK-C _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MSGSMLDIVLYEPEIPQNTG NIIRLAANTGFRLHLIEPLG FTWDDKRLRRSGLDYHEFAE IKRHKTFEAFLESEKPKRLF ALTTKGAPAHSQVKFKLGDY LMFGPETRGIPMSILNEMPM EQKIRIPMTANSRSMNLSNS VAVTVYEAWRQLGYKGAVNL PEVKGSC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 MET 2 -2 SER 3 -1 GLY 4 0 SER 5 1 MET 6 2 LEU 7 3 ASP 8 4 ILE 9 5 VAL 10 6 LEU 11 7 TYR 12 8 GLU 13 9 PRO 14 10 GLU 15 11 ILE 16 12 PRO 17 13 GLN 18 14 ASN 19 15 THR 20 16 GLY 21 17 ASN 22 18 ILE 23 19 ILE 24 20 ARG 25 21 LEU 26 22 ALA 27 23 ALA 28 24 ASN 29 25 THR 30 26 GLY 31 27 PHE 32 28 ARG 33 29 LEU 34 30 HIS 35 31 LEU 36 32 ILE 37 33 GLU 38 34 PRO 39 35 LEU 40 36 GLY 41 37 PHE 42 38 THR 43 39 TRP 44 40 ASP 45 41 ASP 46 42 LYS 47 43 ARG 48 44 LEU 49 45 ARG 50 46 ARG 51 47 SER 52 48 GLY 53 49 LEU 54 50 ASP 55 51 TYR 56 52 HIS 57 53 GLU 58 54 PHE 59 55 ALA 60 56 GLU 61 57 ILE 62 58 LYS 63 59 ARG 64 60 HIS 65 61 LYS 66 62 THR 67 63 PHE 68 64 GLU 69 65 ALA 70 66 PHE 71 67 LEU 72 68 GLU 73 69 SER 74 70 GLU 75 71 LYS 76 72 PRO 77 73 LYS 78 74 ARG 79 75 LEU 80 76 PHE 81 77 ALA 82 78 LEU 83 79 THR 84 80 THR 85 81 LYS 86 82 GLY 87 83 ALA 88 84 PRO 89 85 ALA 90 86 HIS 91 87 SER 92 88 GLN 93 89 VAL 94 90 LYS 95 91 PHE 96 92 LYS 97 93 LEU 98 94 GLY 99 95 ASP 100 96 TYR 101 97 LEU 102 98 MET 103 99 PHE 104 100 GLY 105 101 PRO 106 102 GLU 107 103 THR 108 104 ARG 109 105 GLY 110 106 ILE 111 107 PRO 112 108 MET 113 109 SER 114 110 ILE 115 111 LEU 116 112 ASN 117 113 GLU 118 114 MET 119 115 PRO 120 116 MET 121 117 GLU 122 118 GLN 123 119 LYS 124 120 ILE 125 121 ARG 126 122 ILE 127 123 PRO 128 124 MET 129 125 THR 130 126 ALA 131 127 ASN 132 128 SER 133 129 ARG 134 130 SER 135 131 MET 136 132 ASN 137 133 LEU 138 134 SER 139 135 ASN 140 136 SER 141 137 VAL 142 138 ALA 143 139 VAL 144 140 THR 145 141 VAL 146 142 TYR 147 143 GLU 148 144 ALA 149 145 TRP 150 146 ARG 151 147 GLN 152 148 LEU 153 149 GLY 154 150 TYR 155 151 LYS 156 152 GLY 157 153 ALA 158 154 VAL 159 155 ASN 160 156 LEU 161 157 PRO 162 158 GLU 163 159 VAL 164 160 LYS 165 161 GLY 166 162 SER 167 163 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S-YibK-C g-proteobacteria 727 Bacteria . Haemophilus influenzae 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 $S-YibK-C 'recombinant technology' . Escherichia coli . 'Pet 17b' 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 $S-YibK-C 350 uM '[U-13C; U-15N]' D2O 10 % 'natural abundance' TRIS 50 mM 'natural abundance' 'potassium chloride' 200 mM 'natural abundance' glycerol 10 % 'natural abundance' urea 8 M 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 175.4 internal indirect . . . 0.251449530 water H 1 protons ppm 4.964 internal direct . . . 1.000000000 water N 15 protons ppm 118.773 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HNCA' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name S-YibK-C _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.791 0.027 1 2 1 1 MET HA H 4.596 0.027 1 3 1 1 MET C C 176.258 0.29 1 4 1 1 MET CA C 56.485 0.29 1 5 1 1 MET CB C 33.198 0.29 1 6 1 1 MET N N 123.026 0.46 1 7 4 8 ILE C C 175.863 0.29 1 8 5 9 VAL H H 8.504 0.027 1 9 5 9 VAL HA H 4.129 0.027 1 10 5 9 VAL C C 175.676 0.29 1 11 5 9 VAL CA C 62.425 0.29 1 12 5 9 VAL CB C 32.824 0.29 1 13 5 9 VAL N N 126.105 0.46 1 14 6 10 LEU H H 8.581 0.027 1 15 6 10 LEU HA H 4.476 0.027 1 16 6 10 LEU C C 176.724 0.29 1 17 6 10 LEU CA C 54.622 0.29 1 18 6 10 LEU CB C 42.689 0.29 1 19 6 10 LEU N N 127.235 0.46 1 20 7 11 TYR H H 8.599 0.027 1 21 7 11 TYR HA H 4.684 0.027 1 22 7 11 TYR C C 175.417 0.29 1 23 7 11 TYR CA C 57.845 0.29 1 24 7 11 TYR CB C 39.305 0.29 1 25 7 11 TYR N N 122.523 0.46 1 26 12 16 PRO C C 176.933 0.29 1 27 12 16 PRO CA C 63.500 0.29 1 28 12 16 PRO CB C 32.395 0.29 1 29 13 17 GLN H H 8.826 0.027 1 30 13 17 GLN HA H 4.400 0.027 1 31 13 17 GLN C C 176.040 0.29 1 32 13 17 GLN CA C 56.061 0.29 1 33 13 17 GLN CB C 29.896 0.29 1 34 13 17 GLN N N 121.279 0.46 1 35 14 18 ASN H H 8.836 0.027 1 36 14 18 ASN HA H 4.921 0.027 1 37 14 18 ASN C C 175.693 0.29 1 38 14 18 ASN CA C 53.319 0.29 1 39 14 18 ASN CB C 38.847 0.29 1 40 14 18 ASN N N 120.350 0.46 1 41 15 19 THR H H 8.452 0.027 1 42 15 19 THR HA H 4.469 0.027 1 43 15 19 THR C C 175.306 0.29 1 44 15 19 THR CA C 62.154 0.29 1 45 15 19 THR CB C 70.017 0.29 1 46 15 19 THR N N 114.130 0.46 1 47 16 20 GLY H H 8.633 0.027 1 48 16 20 GLY HA2 H 4.079 0.027 1 49 16 20 GLY HA3 H 4.079 0.027 1 50 16 20 GLY C C 173.864 0.29 1 51 16 20 GLY CA C 45.257 0.29 1 52 16 20 GLY N N 110.684 0.46 1 53 17 21 ASN H H 8.526 0.027 1 54 17 21 ASN HA H 4.831 0.027 1 55 17 21 ASN C C 175.156 0.29 1 56 17 21 ASN CA C 53.289 0.29 1 57 17 21 ASN CB C 39.083 0.29 1 58 17 21 ASN N N 119.020 0.46 1 59 18 22 ILE H H 8.365 0.027 1 60 18 22 ILE HA H 4.254 0.027 1 61 18 22 ILE C C 176.144 0.29 1 62 18 22 ILE CA C 62.125 0.29 1 63 18 22 ILE CB C 38.915 0.29 1 64 18 22 ILE N N 121.874 0.46 1 65 19 23 ILE H H 8.604 0.027 1 66 19 23 ILE HA H 4.239 0.027 1 67 19 23 ILE C C 176.030 0.29 1 68 19 23 ILE CA C 61.125 0.29 1 69 19 23 ILE CB C 38.658 0.29 1 70 19 23 ILE N N 126.800 0.46 1 71 20 24 ARG H H 8.755 0.027 1 72 20 24 ARG HA H 4.494 0.027 1 73 20 24 ARG C C 176.050 0.29 1 74 20 24 ARG CA C 56.014 0.29 1 75 20 24 ARG CB C 31.002 0.29 1 76 20 24 ARG N N 127.023 0.46 1 77 21 25 LEU H H 8.662 0.027 1 78 21 25 LEU HA H 4.452 0.027 1 79 21 25 LEU C C 177.188 0.29 1 80 21 25 LEU CA C 55.042 0.29 1 81 21 25 LEU CB C 42.705 0.29 1 82 21 25 LEU N N 125.251 0.46 1 83 22 26 ALA H H 8.701 0.027 1 84 22 26 ALA HA H 4.385 0.027 1 85 22 26 ALA C C 177.537 0.29 1 86 22 26 ALA CA C 52.395 0.29 1 87 22 26 ALA CB C 19.318 0.29 1 88 22 26 ALA N N 125.758 0.46 1 89 23 27 ALA H H 8.584 0.027 1 90 23 27 ALA HA H 4.384 0.027 1 91 23 27 ALA C C 177.645 0.29 1 92 23 27 ALA CA C 52.654 0.29 1 93 23 27 ALA CB C 19.371 0.29 1 94 23 27 ALA N N 123.777 0.46 1 95 24 28 ASN H H 8.717 0.027 1 96 24 28 ASN HA H 4.877 0.027 1 97 24 28 ASN C C 175.673 0.29 1 98 24 28 ASN CA C 53.147 0.29 1 99 24 28 ASN CB C 38.786 0.29 1 100 24 28 ASN N N 118.298 0.46 1 101 25 29 THR H H 8.334 0.027 1 102 25 29 THR HA H 4.450 0.027 1 103 25 29 THR C C 175.209 0.29 1 104 25 29 THR CA C 62.071 0.29 1 105 25 29 THR CB C 70.070 0.29 1 106 25 29 THR N N 113.704 0.46 1 107 26 30 GLY H H 8.594 0.027 1 108 26 30 GLY HA2 H 4.037 0.027 1 109 26 30 GLY HA3 H 4.037 0.027 1 110 26 30 GLY CA C 45.284 0.29 1 111 26 30 GLY N N 110.728 0.46 1 112 27 31 PHE H H 8.318 0.027 1 113 27 31 PHE HA H 4.688 0.027 1 114 27 31 PHE CA C 57.988 0.29 1 115 27 31 PHE CB C 40.010 0.29 1 116 27 31 PHE N N 120.524 0.46 1 117 29 33 LEU H H 8.781 0.027 1 118 29 33 LEU HA H 4.476 0.027 1 119 29 33 LEU C C 176.257 0.29 1 120 29 33 LEU CA C 55.958 0.29 1 121 29 33 LEU CB C 42.381 0.29 1 122 29 33 LEU N N 122.980 0.46 1 123 30 34 HIS H H 8.502 0.027 1 124 30 34 HIS HA H 4.435 0.027 1 125 30 34 HIS C C 177.135 0.29 1 126 30 34 HIS CA C 55.295 0.29 1 127 30 34 HIS CB C 32.806 0.29 1 128 30 34 HIS N N 122.804 0.46 1 129 31 35 LEU H H 8.543 0.027 1 130 31 35 LEU HA H 4.712 0.027 1 131 31 35 LEU C C 176.000 0.29 1 132 31 35 LEU CA C 54.649 0.29 1 133 31 35 LEU CB C 41.206 0.29 1 134 31 35 LEU N N 121.588 0.46 1 135 32 36 ILE H H 8.214 0.027 1 136 32 36 ILE HA H 4.260 0.027 1 137 32 36 ILE C C 175.852 0.29 1 138 32 36 ILE CA C 61.157 0.29 1 139 32 36 ILE CB C 39.194 0.29 1 140 32 36 ILE N N 120.964 0.46 1 141 34 38 PRO C C 176.818 0.29 1 142 35 39 LEU H H 8.602 0.027 1 143 35 39 LEU HA H 4.377 0.027 1 144 35 39 LEU C C 178.079 0.29 1 145 35 39 LEU CA C 55.654 0.29 1 146 35 39 LEU CB C 42.568 0.29 1 147 35 39 LEU N N 122.888 0.46 1 148 36 40 GLY H H 8.637 0.027 1 149 36 40 GLY HA2 H 3.995 0.027 1 150 36 40 GLY HA3 H 3.995 0.027 1 151 36 40 GLY C C 173.599 0.29 1 152 36 40 GLY CA C 45.075 0.29 1 153 36 40 GLY N N 110.058 0.46 1 154 37 41 PHE H H 8.341 0.027 1 155 37 41 PHE HA H 4.723 0.027 1 156 37 41 PHE C C 176.013 0.29 1 157 37 41 PHE CA C 58.038 0.29 1 158 37 41 PHE CB C 40.051 0.29 1 159 37 41 PHE N N 120.298 0.46 1 160 38 42 THR H H 8.412 0.027 1 161 38 42 THR HA H 4.459 0.027 1 162 38 42 THR C C 174.636 0.29 1 163 38 42 THR CA C 61.603 0.29 1 164 38 42 THR CB C 70.475 0.29 1 165 38 42 THR N N 116.352 0.46 1 166 39 43 TRP H H 8.450 0.027 1 167 39 43 TRP HA H 4.698 0.027 1 168 39 43 TRP C C 176.283 0.29 1 169 39 43 TRP CA C 57.590 0.29 1 170 39 43 TRP CB C 29.725 0.29 1 171 39 43 TRP N N 123.391 0.46 1 172 40 44 ASP H H 8.434 0.027 1 173 40 44 ASP HA H 4.624 0.027 1 174 40 44 ASP C C 175.758 0.29 1 175 40 44 ASP CB C 41.235 0.29 1 176 40 44 ASP N N 121.972 0.46 1 177 41 45 ASP H H 8.331 0.027 1 178 41 45 ASP HA H 4.541 0.027 1 179 41 45 ASP CA C 54.511 0.29 1 180 41 45 ASP CB C 41.428 0.29 1 181 41 45 ASP N N 121.807 0.46 1 182 42 46 LYS H H 8.590 0.027 1 183 42 46 LYS CA C 58.048 0.29 1 184 42 46 LYS CB C 33.399 0.29 1 185 42 46 LYS N N 122.487 0.46 1 186 43 47 ARG C C 176.664 0.29 1 187 44 48 LEU H H 8.308 0.027 1 188 44 48 LEU HA H 4.416 0.027 1 189 44 48 LEU CA C 55.109 0.29 1 190 44 48 LEU CB C 42.534 0.29 1 191 44 48 LEU N N 122.333 0.46 1 192 45 49 ARG H H 8.671 0.027 1 193 45 49 ARG N N 122.926 0.46 1 194 46 50 ARG H H 8.805 0.027 1 195 46 50 ARG HA H 4.485 0.027 1 196 46 50 ARG C C 176.423 0.29 1 197 46 50 ARG CA C 56.172 0.29 1 198 46 50 ARG CB C 31.273 0.29 1 199 46 50 ARG N N 123.641 0.46 1 200 47 51 SER H H 8.745 0.027 1 201 47 51 SER HA H 4.577 0.027 1 202 47 51 SER C C 175.202 0.29 1 203 47 51 SER CA C 58.454 0.29 1 204 47 51 SER CB C 64.368 0.29 1 205 47 51 SER N N 116.939 0.46 1 206 48 52 GLY H H 8.735 0.027 1 207 48 52 GLY HA2 H 4.133 0.027 1 208 48 52 GLY HA3 H 4.133 0.027 1 209 48 52 GLY C C 174.005 0.29 1 210 48 52 GLY CA C 45.309 0.29 1 211 48 52 GLY N N 111.063 0.46 1 212 49 53 LEU H H 8.302 0.027 1 213 49 53 LEU HA H 4.441 0.027 1 214 49 53 LEU C C 177.123 0.29 1 215 49 53 LEU CA C 55.194 0.29 1 216 49 53 LEU CB C 42.708 0.29 1 217 49 53 LEU N N 121.270 0.46 1 218 50 54 ASP H H 8.626 0.027 1 219 50 54 ASP HA H 4.699 0.027 1 220 50 54 ASP C C 175.917 0.29 1 221 50 54 ASP CA C 54.457 0.29 1 222 50 54 ASP CB C 41.519 0.29 1 223 50 54 ASP N N 120.938 0.46 1 224 51 55 TYR H H 8.308 0.027 1 225 51 55 TYR C C 175.979 0.29 1 226 51 55 TYR CA C 58.338 0.29 1 227 51 55 TYR CB C 39.293 0.29 1 228 51 55 TYR N N 120.824 0.46 1 229 52 56 HIS H H 8.400 0.027 1 230 52 56 HIS HA H 4.119 0.027 1 231 52 56 HIS C C 175.913 0.29 1 232 52 56 HIS CA C 56.028 0.29 1 233 52 56 HIS CB C 32.924 0.29 1 234 52 56 HIS N N 122.195 0.46 1 235 53 57 GLU H H 8.474 0.027 1 236 53 57 GLU C C 176.144 0.29 1 237 53 57 GLU CA C 56.214 0.29 1 238 53 57 GLU CB C 30.608 0.29 1 239 53 57 GLU N N 122.833 0.46 1 240 54 58 PHE H H 8.557 0.027 1 241 54 58 PHE HA H 4.717 0.027 1 242 54 58 PHE C C 175.497 0.29 1 243 54 58 PHE CA C 56.566 0.29 1 244 54 58 PHE CB C 39.751 0.29 1 245 54 58 PHE N N 121.067 0.46 1 246 55 59 ALA H H 8.425 0.027 1 247 55 59 ALA HA H 4.396 0.027 1 248 55 59 ALA C C 177.290 0.29 1 249 55 59 ALA CA C 52.582 0.29 1 250 55 59 ALA CB C 19.441 0.29 1 251 55 59 ALA N N 125.562 0.46 1 252 56 60 GLU H H 8.542 0.027 1 253 56 60 GLU HA H 4.330 0.027 1 254 56 60 GLU C C 176.434 0.29 1 255 56 60 GLU CA C 57.372 0.29 1 256 56 60 GLU CB C 30.654 0.29 1 257 56 60 GLU N N 121.103 0.46 1 258 57 61 ILE H H 8.663 0.027 1 259 57 61 ILE C C 176.738 0.29 1 260 57 61 ILE N N 125.236 0.46 1 261 58 62 LYS H H 8.718 0.027 1 262 58 62 LYS HA H 4.432 0.027 1 263 58 62 LYS C C 176.414 0.29 1 264 58 62 LYS N N 126.984 0.46 1 265 59 63 ARG H H 8.703 0.027 1 266 59 63 ARG HA H 4.425 0.027 1 267 59 63 ARG C C 176.212 0.29 1 268 59 63 ARG CA C 56.232 0.29 1 269 59 63 ARG CB C 31.390 0.29 1 270 59 63 ARG N N 123.693 0.46 1 271 60 64 HIS H H 8.685 0.027 1 272 60 64 HIS C C 175.581 0.29 1 273 60 64 HIS CB C 31.338 0.29 1 274 60 64 HIS N N 122.174 0.46 1 275 61 65 LYS H H 8.706 0.027 1 276 61 65 LYS HA H 4.474 0.027 1 277 61 65 LYS N N 123.810 0.46 1 278 62 66 THR H H 8.487 0.027 1 279 62 66 THR HA H 4.505 0.027 1 280 62 66 THR C C 174.647 0.29 1 281 62 66 THR CA C 61.815 0.29 1 282 62 66 THR CB C 70.252 0.29 1 283 62 66 THR N N 116.475 0.46 1 284 63 67 PHE H H 8.661 0.027 1 285 63 67 PHE HA H 4.589 0.027 1 286 63 67 PHE C C 175.534 0.29 1 287 63 67 PHE N N 122.743 0.46 1 288 64 68 GLU H H 8.603 0.027 1 289 64 68 GLU HA H 4.314 0.027 1 290 64 68 GLU C C 175.764 0.29 1 291 64 68 GLU CA C 58.187 0.29 1 292 64 68 GLU CB C 30.618 0.29 1 293 64 68 GLU N N 123.505 0.46 1 294 65 69 ALA H H 8.443 0.027 1 295 65 69 ALA HA H 4.294 0.027 1 296 65 69 ALA C C 177.447 0.29 1 297 65 69 ALA CA C 52.582 0.29 1 298 65 69 ALA CB C 19.441 0.29 1 299 65 69 ALA N N 125.501 0.46 1 300 66 70 PHE H H 8.465 0.027 1 301 66 70 PHE HA H 4.666 0.027 1 302 66 70 PHE C C 175.699 0.29 1 303 66 70 PHE CA C 57.893 0.29 1 304 66 70 PHE CB C 39.644 0.29 1 305 66 70 PHE N N 120.007 0.46 1 306 67 71 LEU H H 8.459 0.027 1 307 67 71 LEU HA H 4.424 0.027 1 308 67 71 LEU C C 177.233 0.29 1 309 67 71 LEU CA C 55.014 0.29 1 310 67 71 LEU CB C 42.597 0.29 1 311 67 71 LEU N N 124.741 0.46 1 312 68 72 GLU H H 8.679 0.027 1 313 68 72 GLU HA H 4.342 0.027 1 314 68 72 GLU C C 176.796 0.29 1 315 68 72 GLU CA C 56.861 0.29 1 316 68 72 GLU CB C 30.600 0.29 1 317 68 72 GLU N N 122.829 0.46 1 318 69 73 SER H H 8.547 0.027 1 319 69 73 SER HA H 4.522 0.027 1 320 69 73 SER C C 174.798 0.29 1 321 69 73 SER CA C 58.912 0.29 1 322 69 73 SER CB C 64.048 0.29 1 323 69 73 SER N N 116.695 0.46 1 324 70 74 GLU H H 8.644 0.027 1 325 70 74 GLU HA H 4.495 0.027 1 326 70 74 GLU C C 175.976 0.29 1 327 70 74 GLU CA C 56.473 0.29 1 328 70 74 GLU CB C 30.931 0.29 1 329 70 74 GLU N N 123.010 0.46 1 330 71 75 LYS H H 8.585 0.027 1 331 71 75 LYS HA H 4.491 0.027 1 332 71 75 LYS CA C 55.357 0.29 1 333 71 75 LYS CB C 32.911 0.29 1 334 71 75 LYS N N 123.379 0.46 1 335 72 76 PRO C C 173.880 0.29 1 336 73 77 LYS H H 8.761 0.027 1 337 73 77 LYS HA H 4.872 0.027 1 338 73 77 LYS C C 176.779 0.29 1 339 73 77 LYS CA C 56.813 0.29 1 340 73 77 LYS CB C 33.359 0.29 1 341 73 77 LYS N N 123.001 0.46 1 342 74 78 ARG H H 8.727 0.027 1 343 74 78 ARG HA H 4.376 0.027 1 344 74 78 ARG C C 175.966 0.29 1 345 74 78 ARG CA C 56.147 0.29 1 346 74 78 ARG CB C 30.947 0.29 1 347 74 78 ARG N N 123.377 0.46 1 348 75 79 LEU H H 8.622 0.027 1 349 75 79 LEU HA H 4.659 0.027 1 350 75 79 LEU C C 176.989 0.29 1 351 75 79 LEU CA C 54.053 0.29 1 352 75 79 LEU CB C 42.625 0.29 1 353 75 79 LEU N N 124.852 0.46 1 354 76 80 PHE H H 8.630 0.027 1 355 76 80 PHE HA H 4.755 0.027 1 356 76 80 PHE C C 175.428 0.29 1 357 76 80 PHE CA C 57.463 0.29 1 358 76 80 PHE CB C 40.078 0.29 1 359 76 80 PHE N N 121.658 0.46 1 360 77 81 ALA H H 8.619 0.027 1 361 77 81 ALA HA H 4.435 0.027 1 362 77 81 ALA C C 177.404 0.29 1 363 77 81 ALA CA C 52.322 0.29 1 364 77 81 ALA CB C 19.582 0.29 1 365 77 81 ALA N N 125.715 0.46 1 366 78 82 LEU H H 8.570 0.027 1 367 78 82 LEU HA H 4.712 0.027 1 368 78 82 LEU C C 177.750 0.29 1 369 78 82 LEU CA C 54.777 0.29 1 370 78 82 LEU CB C 42.612 0.29 1 371 78 82 LEU N N 122.453 0.46 1 372 79 83 THR H H 8.518 0.027 1 373 79 83 THR HA H 4.597 0.027 1 374 79 83 THR C C 174.360 0.29 1 375 79 83 THR CA C 61.631 0.29 1 376 79 83 THR CB C 70.389 0.29 1 377 79 83 THR N N 115.185 0.46 1 378 80 84 THR H H 8.477 0.027 1 379 80 84 THR HA H 4.505 0.027 1 380 80 84 THR C C 174.663 0.29 1 381 80 84 THR CA C 61.815 0.29 1 382 80 84 THR CB C 70.252 0.29 1 383 80 84 THR N N 116.438 0.46 1 384 81 85 LYS H H 8.638 0.027 1 385 81 85 LYS HA H 4.431 0.027 1 386 81 85 LYS C C 175.562 0.29 1 387 81 85 LYS CA C 56.594 0.29 1 388 81 85 LYS CB C 33.432 0.29 1 389 81 85 LYS N N 124.053 0.46 1 390 82 86 GLY H H 8.603 0.027 1 391 82 86 GLY HA2 H 4.079 0.027 1 392 82 86 GLY HA3 H 4.079 0.027 1 393 82 86 GLY C C 173.360 0.29 1 394 82 86 GLY CA C 45.284 0.29 1 395 82 86 GLY N N 112.121 0.46 1 396 83 87 ALA H H 8.408 0.027 1 397 83 87 ALA HA H 4.659 0.027 1 398 83 87 ALA C C 175.570 0.29 1 399 83 87 ALA CA C 50.706 0.29 1 400 83 87 ALA CB C 18.202 0.29 1 401 83 87 ALA N N 124.813 0.46 1 402 84 88 PRO C C 176.769 0.29 1 403 84 88 PRO CA C 63.244 0.29 1 404 84 88 PRO CB C 32.248 0.29 1 405 85 89 ALA H H 8.694 0.027 1 406 85 89 ALA HA H 4.335 0.027 1 407 85 89 ALA C C 177.838 0.29 1 408 85 89 ALA CA C 52.808 0.29 1 409 85 89 ALA CB C 19.202 0.29 1 410 85 89 ALA N N 124.890 0.46 1 411 86 90 HIS H H 8.450 0.027 1 412 86 90 HIS HA H 4.719 0.027 1 413 86 90 HIS C C 175.733 0.29 1 414 86 90 HIS N N 118.706 0.46 1 415 87 91 SER H H 8.477 0.027 1 416 87 91 SER HA H 4.547 0.027 1 417 87 91 SER CA C 58.511 0.29 1 418 87 91 SER CB C 64.138 0.29 1 419 87 91 SER N N 117.024 0.46 1 420 88 92 GLN H H 8.582 0.027 1 421 88 92 GLN HA H 4.507 0.027 1 422 88 92 GLN C C 176.442 0.29 1 423 88 92 GLN CA C 56.542 0.29 1 424 88 92 GLN CB C 30.732 0.29 1 425 88 92 GLN N N 122.983 0.46 1 426 89 93 VAL H H 8.572 0.027 1 427 89 93 VAL HA H 4.539 0.027 1 428 89 93 VAL C C 175.936 0.29 1 429 89 93 VAL CA C 62.715 0.29 1 430 89 93 VAL CB C 32.887 0.29 1 431 89 93 VAL N N 124.186 0.46 1 432 90 94 LYS H H 8.605 0.027 1 433 90 94 LYS HA H 4.406 0.027 1 434 90 94 LYS C C 176.192 0.29 1 435 90 94 LYS CA C 56.231 0.29 1 436 90 94 LYS CB C 33.306 0.29 1 437 90 94 LYS N N 126.016 0.46 1 438 91 95 PHE H H 8.560 0.027 1 439 91 95 PHE HA H 4.535 0.027 1 440 91 95 PHE C C 175.513 0.29 1 441 91 95 PHE N N 122.433 0.46 1 442 92 96 LYS H H 8.725 0.027 1 443 92 96 LYS HA H 4.433 0.027 1 444 92 96 LYS C C 176.171 0.29 1 445 92 96 LYS CA C 56.186 0.29 1 446 92 96 LYS CB C 33.635 0.29 1 447 92 96 LYS N N 124.478 0.46 1 448 93 97 LEU H H 8.636 0.027 1 449 93 97 LEU HA H 4.396 0.027 1 450 93 97 LEU C C 176.230 0.29 1 451 93 97 LEU CA C 55.752 0.29 1 452 93 97 LEU CB C 42.583 0.29 1 453 93 97 LEU N N 124.857 0.46 1 454 94 98 GLY H H 8.696 0.027 1 455 94 98 GLY HA2 H 4.040 0.027 1 456 94 98 GLY HA3 H 4.040 0.027 1 457 94 98 GLY C C 173.808 0.29 1 458 94 98 GLY CA C 45.294 0.29 1 459 94 98 GLY N N 110.111 0.46 1 460 95 99 ASP H H 8.396 0.027 1 461 95 99 ASP HA H 4.690 0.027 1 462 95 99 ASP C C 176.173 0.29 1 463 95 99 ASP CA C 54.579 0.29 1 464 95 99 ASP CB C 41.514 0.29 1 465 95 99 ASP N N 120.950 0.46 1 466 96 100 TYR H H 8.330 0.027 1 467 96 100 TYR HA H 4.590 0.027 1 468 96 100 TYR C C 175.546 0.29 1 469 96 100 TYR CA C 58.322 0.29 1 470 96 100 TYR CB C 38.880 0.29 1 471 96 100 TYR N N 120.623 0.46 1 472 97 101 LEU H H 8.417 0.027 1 473 97 101 LEU HA H 4.349 0.027 1 474 97 101 LEU C C 176.880 0.29 1 475 97 101 LEU CA C 55.016 0.29 1 476 97 101 LEU CB C 42.399 0.29 1 477 97 101 LEU N N 124.097 0.46 1 478 98 102 MET H H 8.448 0.027 1 479 98 102 MET HA H 4.435 0.027 1 480 98 102 MET C C 175.850 0.29 1 481 98 102 MET CA C 55.567 0.29 1 482 98 102 MET CB C 33.251 0.29 1 483 98 102 MET N N 121.390 0.46 1 484 99 103 PHE H H 8.532 0.027 1 485 99 103 PHE HA H 4.825 0.027 1 486 99 103 PHE C C 176.061 0.29 1 487 99 103 PHE CA C 57.459 0.29 1 488 99 103 PHE CB C 40.106 0.29 1 489 99 103 PHE N N 120.727 0.46 1 490 100 104 GLY H H 8.551 0.027 1 491 100 104 GLY HA2 H 4.246 0.027 1 492 100 104 GLY HA3 H 4.246 0.027 1 493 100 104 GLY C C 173.239 0.29 1 494 100 104 GLY CA C 44.808 0.29 1 495 100 104 GLY N N 110.162 0.46 1 496 101 105 PRO C C 177.180 0.29 1 497 101 105 PRO CA C 63.842 0.29 1 498 101 105 PRO CB C 32.526 0.29 1 499 101 105 PRO N N 121.013 0.46 1 500 102 106 GLU H H 8.997 0.027 1 501 102 106 GLU HA H 4.425 0.027 1 502 102 106 GLU C C 176.961 0.29 1 503 102 106 GLU CA C 57.005 0.29 1 504 102 106 GLU CB C 29.940 0.29 1 505 102 106 GLU N N 121.002 0.46 1 506 103 107 THR H H 8.407 0.027 1 507 103 107 THR HA H 4.471 0.027 1 508 103 107 THR C C 174.658 0.29 1 509 103 107 THR CA C 62.122 0.29 1 510 103 107 THR CB C 70.142 0.29 1 511 103 107 THR N N 115.754 0.46 1 512 104 108 ARG H H 8.655 0.027 1 513 104 108 ARG HA H 4.479 0.027 1 514 104 108 ARG C C 176.667 0.29 1 515 104 108 ARG CA C 56.410 0.29 1 516 104 108 ARG CB C 31.306 0.29 1 517 104 108 ARG N N 123.866 0.46 1 518 105 109 GLY H H 8.636 0.027 1 519 105 109 GLY HA2 H 4.015 0.027 1 520 105 109 GLY HA3 H 4.015 0.027 1 521 105 109 GLY C C 175.209 0.29 1 522 105 109 GLY CA C 45.085 0.29 1 523 105 109 GLY N N 110.200 0.46 1 524 106 110 ILE H H 8.317 0.027 1 525 106 110 ILE N N 120.545 0.46 1 526 107 111 PRO CA C 63.337 0.29 1 527 107 111 PRO CB C 32.267 0.29 1 528 107 111 PRO N N 121.924 0.46 1 529 108 112 MET H H 8.781 0.027 1 530 108 112 MET HA H 4.531 0.027 1 531 108 112 MET C C 176.572 0.29 1 532 108 112 MET CA C 56.567 0.29 1 533 108 112 MET CB C 33.195 0.29 1 534 108 112 MET N N 121.868 0.46 1 535 109 113 SER H H 8.671 0.027 1 536 109 113 SER HA H 4.575 0.027 1 537 109 113 SER CA C 58.487 0.29 1 538 109 113 SER CB C 63.998 0.29 1 539 109 113 SER N N 117.553 0.46 1 540 110 114 ILE H H 8.454 0.027 1 541 110 114 ILE HA H 4.292 0.027 1 542 110 114 ILE CA C 61.408 0.29 1 543 110 114 ILE CB C 38.969 0.29 1 544 110 114 ILE N N 123.368 0.46 1 545 111 115 LEU H H 8.502 0.027 1 546 111 115 LEU HA H 4.431 0.027 1 547 111 115 LEU C C 177.136 0.29 1 548 111 115 LEU CA C 55.306 0.29 1 549 111 115 LEU CB C 42.466 0.29 1 550 111 115 LEU N N 126.015 0.46 1 551 112 116 ASN H H 8.703 0.027 1 552 112 116 ASN HA H 4.803 0.027 1 553 112 116 ASN C C 175.124 0.29 1 554 112 116 ASN CA C 53.396 0.29 1 555 112 116 ASN CB C 39.077 0.29 1 556 112 116 ASN N N 120.011 0.46 1 557 113 117 GLU H H 8.515 0.027 1 558 113 117 GLU HA H 4.377 0.027 1 559 113 117 GLU C C 176.293 0.29 1 560 113 117 GLU CA C 56.542 0.29 1 561 113 117 GLU CB C 30.785 0.29 1 562 113 117 GLU N N 121.357 0.46 1 563 114 118 MET H H 8.700 0.027 1 564 114 118 MET HA H 4.865 0.027 1 565 114 118 MET C C 174.228 0.29 1 566 114 118 MET N N 122.970 0.46 1 567 116 120 MET H H 8.824 0.027 1 568 116 120 MET C C 176.528 0.29 1 569 116 120 MET CA C 56.057 0.29 1 570 116 120 MET CB C 33.319 0.29 1 571 116 120 MET N N 122.880 0.46 1 572 117 121 GLU H H 8.823 0.027 1 573 117 121 GLU HA H 4.357 0.027 1 574 117 121 GLU C C 176.472 0.29 1 575 117 121 GLU N N 122.874 0.46 1 576 118 122 GLN H H 8.727 0.027 1 577 118 122 GLN HA H 4.422 0.027 1 578 118 122 GLN C C 176.003 0.29 1 579 118 122 GLN CA C 55.904 0.29 1 580 118 122 GLN CB C 29.830 0.29 1 581 118 122 GLN N N 122.482 0.46 1 582 119 123 LYS H H 8.656 0.027 1 583 119 123 LYS N N 123.881 0.46 1 584 121 125 ARG H H 8.737 0.027 1 585 121 125 ARG HA H 4.368 0.027 1 586 121 125 ARG CA C 55.996 0.29 1 587 121 125 ARG CB C 31.116 0.29 1 588 121 125 ARG N N 126.512 0.46 1 589 122 126 ILE H H 8.644 0.027 1 590 122 126 ILE HA H 4.539 0.027 1 591 122 126 ILE N N 125.242 0.46 1 592 124 128 MET H H 8.796 0.027 1 593 124 128 MET HA H 4.526 0.027 1 594 124 128 MET C C 176.667 0.29 1 595 124 128 MET CA C 55.962 0.29 1 596 124 128 MET CB C 32.320 0.29 1 597 124 128 MET N N 121.872 0.46 1 598 125 129 THR H H 8.421 0.027 1 599 125 129 THR HA H 4.475 0.027 1 600 125 129 THR C C 174.466 0.29 1 601 125 129 THR CA C 61.691 0.29 1 602 125 129 THR CB C 70.439 0.29 1 603 125 129 THR N N 115.330 0.46 1 604 126 130 ALA H H 8.635 0.027 1 605 126 130 ALA HA H 4.427 0.027 1 606 126 130 ALA C C 177.546 0.29 1 607 126 130 ALA CA C 52.830 0.29 1 608 126 130 ALA CB C 19.394 0.29 1 609 126 130 ALA N N 126.357 0.46 1 610 127 131 ASN H H 8.669 0.027 1 611 127 131 ASN HA H 4.840 0.027 1 612 127 131 ASN C C 175.603 0.29 1 613 127 131 ASN CA C 53.221 0.29 1 614 127 131 ASN CB C 39.037 0.29 1 615 127 131 ASN N N 118.324 0.46 1 616 128 132 SER H H 8.539 0.027 1 617 128 132 SER HA H 4.535 0.027 1 618 128 132 SER CA C 59.042 0.29 1 619 128 132 SER CB C 64.081 0.29 1 620 128 132 SER N N 116.850 0.46 1 621 129 133 ARG H H 8.651 0.027 1 622 129 133 ARG HA H 4.696 0.027 1 623 129 133 ARG C C 176.565 0.29 1 624 129 133 ARG CA C 56.631 0.29 1 625 129 133 ARG CB C 31.019 0.29 1 626 129 133 ARG N N 122.832 0.46 1 627 130 134 SER H H 8.570 0.027 1 628 130 134 SER HA H 4.549 0.027 1 629 130 134 SER C C 174.802 0.29 1 630 130 134 SER CA C 58.673 0.29 1 631 130 134 SER CB C 64.031 0.29 1 632 130 134 SER N N 117.059 0.46 1 633 131 135 MET H H 8.667 0.027 1 634 131 135 MET HA H 4.620 0.027 1 635 131 135 MET C C 175.892 0.29 1 636 131 135 MET CA C 55.657 0.29 1 637 131 135 MET CB C 33.212 0.29 1 638 131 135 MET N N 122.702 0.46 1 639 132 136 ASN H H 8.738 0.027 1 640 132 136 ASN HA H 4.832 0.027 1 641 132 136 ASN C C 175.387 0.29 1 642 132 136 ASN CA C 53.327 0.29 1 643 132 136 ASN CB C 38.814 0.29 1 644 132 136 ASN N N 120.322 0.46 1 645 133 137 LEU H H 8.588 0.027 1 646 133 137 LEU C C 177.671 0.29 1 647 133 137 LEU CA C 55.339 0.29 1 648 133 137 LEU CB C 42.406 0.29 1 649 133 137 LEU N N 123.505 0.46 1 650 134 138 SER H H 8.599 0.027 1 651 134 138 SER HA H 4.540 0.027 1 652 134 138 SER C C 174.586 0.29 1 653 134 138 SER CA C 58.904 0.29 1 654 134 138 SER CB C 64.222 0.29 1 655 134 138 SER N N 116.477 0.46 1 656 135 139 ASN H H 8.687 0.027 1 657 135 139 ASN HA H 4.892 0.027 1 658 135 139 ASN C C 175.058 0.29 1 659 135 139 ASN CA C 53.340 0.29 1 660 135 139 ASN CB C 38.973 0.29 1 661 135 139 ASN N N 121.083 0.46 1 662 136 140 SER H H 8.463 0.027 1 663 136 140 SER C C 175.204 0.29 1 664 136 140 SER CA C 58.791 0.29 1 665 136 140 SER CB C 64.256 0.29 1 666 136 140 SER N N 116.365 0.46 1 667 137 141 VAL H H 8.362 0.027 1 668 137 141 VAL HA H 4.571 0.027 1 669 137 141 VAL C C 175.814 0.29 1 670 137 141 VAL CA C 62.368 0.29 1 671 137 141 VAL CB C 33.085 0.29 1 672 137 141 VAL N N 121.905 0.46 1 673 138 142 ALA H H 8.559 0.027 1 674 138 142 ALA HA H 4.453 0.027 1 675 138 142 ALA C C 177.629 0.29 1 676 138 142 ALA CA C 52.605 0.29 1 677 138 142 ALA CB C 19.304 0.29 1 678 138 142 ALA N N 128.141 0.46 1 679 139 143 VAL H H 8.408 0.027 1 680 139 143 VAL HA H 4.269 0.027 1 681 139 143 VAL C C 176.420 0.29 1 682 139 143 VAL CA C 62.356 0.29 1 683 139 143 VAL CB C 33.151 0.29 1 684 139 143 VAL N N 120.347 0.46 1 685 140 144 THR H H 8.509 0.027 1 686 140 144 THR HA H 4.442 0.027 1 687 140 144 THR C C 174.257 0.29 1 688 140 144 THR CA C 62.190 0.29 1 689 140 144 THR CB C 70.258 0.29 1 690 140 144 THR N N 119.451 0.46 1 691 141 145 VAL H H 8.461 0.027 1 692 141 145 VAL HA H 4.176 0.027 1 693 141 145 VAL C C 175.690 0.29 1 694 141 145 VAL CA C 62.270 0.29 1 695 141 145 VAL CB C 33.133 0.29 1 696 141 145 VAL N N 123.698 0.46 1 697 142 146 TYR H H 8.584 0.027 1 698 142 146 TYR HA H 4.605 0.027 1 699 142 146 TYR C C 175.803 0.29 1 700 142 146 TYR CA C 58.312 0.29 1 701 142 146 TYR CB C 38.963 0.29 1 702 142 146 TYR N N 125.226 0.46 1 703 143 147 GLU H H 8.632 0.027 1 704 143 147 GLU C C 176.343 0.29 1 705 143 147 GLU N N 124.038 0.46 1 706 144 148 ALA H H 8.519 0.027 1 707 144 148 ALA C C 174.906 0.29 1 708 144 148 ALA CA C 53.688 0.29 1 709 144 148 ALA CB C 18.896 0.29 1 710 144 148 ALA N N 125.745 0.46 1 711 145 149 TRP H H 8.020 0.027 1 712 145 149 TRP C C 176.567 0.29 1 713 145 149 TRP CA C 57.430 0.29 1 714 145 149 TRP CB C 29.018 0.29 1 715 145 149 TRP N N 118.034 0.46 1 716 146 150 ARG H H 7.825 0.027 1 717 146 150 ARG HA H 4.157 0.027 1 718 146 150 ARG C C 176.134 0.29 1 719 146 150 ARG CA C 56.506 0.29 1 720 146 150 ARG CB C 30.865 0.29 1 721 146 150 ARG N N 122.517 0.46 1 722 147 151 GLN H H 8.317 0.027 1 723 147 151 GLN HA H 4.311 0.027 1 724 147 151 GLN C C 176.183 0.29 1 725 147 151 GLN CA C 56.096 0.29 1 726 147 151 GLN CB C 29.379 0.29 1 727 147 151 GLN N N 120.975 0.46 1 728 148 152 LEU H H 8.516 0.027 1 729 148 152 LEU HA H 4.411 0.027 1 730 148 152 LEU C C 177.970 0.29 1 731 148 152 LEU CA C 55.645 0.29 1 732 148 152 LEU CB C 42.537 0.29 1 733 148 152 LEU N N 123.796 0.46 1 734 149 153 GLY H H 8.623 0.027 1 735 149 153 GLY HA2 H 4.035 0.027 1 736 149 153 GLY HA3 H 4.035 0.027 1 737 149 153 GLY C C 174.902 0.29 1 738 149 153 GLY CA C 45.299 0.29 1 739 149 153 GLY N N 109.729 0.46 1 740 150 154 TYR H H 8.289 0.027 1 741 150 154 TYR HA H 4.625 0.027 1 742 150 154 TYR C C 176.021 0.29 1 743 150 154 TYR CA C 58.465 0.29 1 744 150 154 TYR CB C 39.177 0.29 1 745 150 154 TYR N N 120.919 0.46 1 746 151 155 LYS H H 8.622 0.027 1 747 151 155 LYS HA H 4.360 0.027 1 748 151 155 LYS CA C 56.165 0.29 1 749 151 155 LYS CB C 33.262 0.29 1 750 151 155 LYS N N 125.300 0.46 1 751 152 156 GLY H H 7.865 0.027 1 752 152 156 GLY HA2 H 3.986 0.027 1 753 152 156 GLY HA3 H 3.986 0.027 1 754 152 156 GLY C C 174.910 0.29 1 755 152 156 GLY CA C 44.986 0.29 1 756 152 156 GLY N N 109.502 0.46 1 757 153 157 ALA H H 8.392 0.027 1 758 153 157 ALA HA H 4.440 0.027 1 759 153 157 ALA C C 177.842 0.29 1 760 153 157 ALA CA C 52.539 0.29 1 761 153 157 ALA CB C 19.604 0.29 1 762 153 157 ALA N N 123.719 0.46 1 763 154 158 VAL H H 8.412 0.027 1 764 154 158 VAL HA H 4.222 0.027 1 765 154 158 VAL C C 175.749 0.29 1 766 154 158 VAL CA C 62.155 0.29 1 767 154 158 VAL CB C 33.234 0.29 1 768 154 158 VAL N N 119.428 0.46 1 769 155 159 ASN H H 8.749 0.027 1 770 155 159 ASN HA H 4.853 0.027 1 771 155 159 ASN C C 174.811 0.29 1 772 155 159 ASN CA C 53.090 0.29 1 773 155 159 ASN CB C 39.146 0.29 1 774 155 159 ASN N N 122.958 0.46 1 775 156 160 LEU H H 8.562 0.027 1 776 156 160 LEU HA H 4.685 0.027 1 777 156 160 LEU CA C 56.051 0.29 1 778 156 160 LEU CB C 41.817 0.29 1 779 156 160 LEU N N 124.240 0.46 1 780 157 161 PRO C C 176.718 0.29 1 781 158 162 GLU H H 8.756 0.027 1 782 158 162 GLU HA H 4.337 0.027 1 783 158 162 GLU C C 176.619 0.29 1 784 158 162 GLU CA C 56.815 0.29 1 785 158 162 GLU CB C 30.691 0.29 1 786 158 162 GLU N N 121.975 0.46 1 787 159 163 VAL H H 8.572 0.027 1 788 159 163 VAL HA H 4.202 0.027 1 789 159 163 VAL C C 176.223 0.29 1 790 159 163 VAL CA C 62.442 0.29 1 791 159 163 VAL CB C 32.911 0.29 1 792 159 163 VAL N N 123.192 0.46 1 793 160 164 LYS H H 8.769 0.027 1 794 160 164 LYS HA H 4.464 0.027 1 795 160 164 LYS C C 177.040 0.29 1 796 160 164 LYS CA C 56.491 0.29 1 797 160 164 LYS CB C 33.286 0.29 1 798 160 164 LYS N N 126.790 0.46 1 799 161 165 GLY H H 8.710 0.027 1 800 161 165 GLY HA2 H 4.136 0.027 1 801 161 165 GLY HA3 H 4.136 0.027 1 802 161 165 GLY C C 173.738 0.29 1 803 161 165 GLY CA C 45.273 0.29 1 804 161 165 GLY N N 110.868 0.46 1 805 162 166 SER H H 8.490 0.027 1 806 162 166 SER HA H 4.647 0.027 1 807 162 166 SER C C 173.957 0.29 1 808 162 166 SER CA C 58.410 0.29 1 809 162 166 SER CB C 64.531 0.29 1 810 162 166 SER N N 115.883 0.46 1 811 163 167 CYS H H 8.509 0.027 1 812 163 167 CYS HA H 4.616 0.027 1 813 163 167 CYS CA C 57.500 0.29 1 814 163 167 CYS CB C 42.616 0.29 1 815 163 167 CYS N N 125.468 0.46 1 stop_ save_