data_27131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 98-243 ; _BMRB_accession_number 27131 _BMRB_flat_file_name bmr27131.str _Entry_type original _Submission_date 2017-06-09 _Accession_date 2017-06-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sugitani Norie . . 2 Voehler Markus W. . 3 Roh Michelle S. . 4 Topolska-Wo Agnieszka M. . 5 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 137 "13C chemical shifts" 415 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-03 update BMRB 'update entry citation' 2017-09-14 original author 'original release' stop_ _Original_release_date 2017-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Analysis of DNA binding by human factor xeroderma pigmentosum complementation group A (XPA) provides insight into its interactions with nucleotide excision repair substrates ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28860187 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sugitani Norie . . 2 Voehler Markus W. . 3 Roh Michelle S. . 4 Topolska-Wo Agnieszka M. . 5 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 292 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16847 _Page_last 16857 _Year 2017 _Details . loop_ _Keyword 'DNA binding protein' 'DNA repair' 'Nuclear magnetic resonance (NMR)' 'Nucleotide excision repair' 'protein-DNA interaction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'XPA98-239 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label XPA98-239 $XPA98-239 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_XPA98-239 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common XPA98-239 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; Human XPA98-239 including GPGS sequence at the N-terminus from His-tag. Residue numbering for this entry starts at 1 for this first Gly. ; ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GPGSMEFDYVICEECGKEFM DSYLMNHFDLPTCDNCRDAD DKHKLITKTEAKQEYLLKDC DLEKREPPLKFIVKKNPHHS QWGDMKLYLKLQIVKRSLEV WGSQEALEEAKEVRQENREK MKQKKFDKKVKELRRAVRSS VWKRET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 GLY 4 4 SER 5 5 MET 6 6 GLU 7 7 PHE 8 8 ASP 9 9 TYR 10 10 VAL 11 11 ILE 12 12 CYS 13 13 GLU 14 14 GLU 15 15 CYS 16 16 GLY 17 17 LYS 18 18 GLU 19 19 PHE 20 20 MET 21 21 ASP 22 22 SER 23 23 TYR 24 24 LEU 25 25 MET 26 26 ASN 27 27 HIS 28 28 PHE 29 29 ASP 30 30 LEU 31 31 PRO 32 32 THR 33 33 CYS 34 34 ASP 35 35 ASN 36 36 CYS 37 37 ARG 38 38 ASP 39 39 ALA 40 40 ASP 41 41 ASP 42 42 LYS 43 43 HIS 44 44 LYS 45 45 LEU 46 46 ILE 47 47 THR 48 48 LYS 49 49 THR 50 50 GLU 51 51 ALA 52 52 LYS 53 53 GLN 54 54 GLU 55 55 TYR 56 56 LEU 57 57 LEU 58 58 LYS 59 59 ASP 60 60 CYS 61 61 ASP 62 62 LEU 63 63 GLU 64 64 LYS 65 65 ARG 66 66 GLU 67 67 PRO 68 68 PRO 69 69 LEU 70 70 LYS 71 71 PHE 72 72 ILE 73 73 VAL 74 74 LYS 75 75 LYS 76 76 ASN 77 77 PRO 78 78 HIS 79 79 HIS 80 80 SER 81 81 GLN 82 82 TRP 83 83 GLY 84 84 ASP 85 85 MET 86 86 LYS 87 87 LEU 88 88 TYR 89 89 LEU 90 90 LYS 91 91 LEU 92 92 GLN 93 93 ILE 94 94 VAL 95 95 LYS 96 96 ARG 97 97 SER 98 98 LEU 99 99 GLU 100 100 VAL 101 101 TRP 102 102 GLY 103 103 SER 104 104 GLN 105 105 GLU 106 106 ALA 107 107 LEU 108 108 GLU 109 109 GLU 110 110 ALA 111 111 LYS 112 112 GLU 113 113 VAL 114 114 ARG 115 115 GLN 116 116 GLU 117 117 ASN 118 118 ARG 119 119 GLU 120 120 LYS 121 121 MET 122 122 LYS 123 123 GLN 124 124 LYS 125 125 LYS 126 126 PHE 127 127 ASP 128 128 LYS 129 129 LYS 130 130 VAL 131 131 LYS 132 132 GLU 133 133 LEU 134 134 ARG 135 135 ARG 136 136 ALA 137 137 VAL 138 138 ARG 139 139 SER 140 140 SER 141 141 VAL 142 142 TRP 143 143 LYS 144 144 ARG 145 145 GLU 146 146 THR 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 $XPA98-239 Human 9606 Eukaryota Metazoa Homo sapiens 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 $XPA98-239 'recombinant technology' . Escherichia coli . pBG100 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'measurement in shape tube' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $XPA98-239 0.5 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' TCEP 1 mM 'natural abundance' DSS .5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PINE _Saveframe_category software _Name PINE _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 9.2.0-b2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version '3.80F1 Rev 2012.080.14.41' loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'CPQCI probe' 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 500 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' 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 XPA98-239 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO C C 177.5268 0.0000 1 2 2 2 PRO CA C 63.5152 0.0000 1 3 2 2 PRO CB C 32.0732 0.0000 1 4 3 3 GLY H H 8.6518 0.0000 1 5 3 3 GLY C C 174.2579 0.0000 1 6 3 3 GLY CA C 45.2846 0.0000 1 7 3 3 GLY N N 110.2911 0.0000 1 8 4 4 SER H H 8.1615 0.0000 1 9 4 4 SER C C 174.6308 0.0000 1 10 4 4 SER CA C 58.3737 0.0000 1 11 4 4 SER CB C 63.7534 0.0000 1 12 4 4 SER N N 115.5838 0.0000 1 13 5 5 MET H H 8.4190 0.0000 1 14 5 5 MET C C 177.6000 0.0000 1 15 5 5 MET CA C 55.4996 0.0000 1 16 5 5 MET CB C 32.6732 0.0000 1 17 5 5 MET N N 121.9540 0.0000 1 18 6 6 GLU H H 8.2741 0.0000 1 19 6 6 GLU C C 175.6500 0.0000 1 20 6 6 GLU CA C 56.6709 0.0000 1 21 6 6 GLU CB C 30.2426 0.0000 1 22 6 6 GLU N N 121.5079 0.0000 1 23 7 7 PHE H H 7.8952 0.0000 1 24 7 7 PHE C C 174.7094 0.0000 1 25 7 7 PHE CA C 55.4413 0.0000 1 26 7 7 PHE CB C 40.0497 0.0000 1 27 7 7 PHE N N 119.3877 0.0000 1 28 8 8 ASP H H 8.2031 0.0000 1 29 8 8 ASP C C 175.0223 0.0000 1 30 8 8 ASP CA C 53.9338 0.0000 1 31 8 8 ASP CB C 41.2715 0.0000 1 32 8 8 ASP N N 121.2596 0.0000 1 33 9 9 TYR H H 7.6831 0.0000 1 34 9 9 TYR C C 174.9854 0.0000 1 35 9 9 TYR CA C 57.4713 0.0000 1 36 9 9 TYR CB C 39.7490 0.0000 1 37 9 9 TYR N N 118.0146 0.0000 1 38 10 10 VAL H H 8.6093 0.0000 1 39 10 10 VAL C C 173.6523 0.0000 1 40 10 10 VAL CA C 60.5011 0.0000 1 41 10 10 VAL CB C 33.0578 0.0000 1 42 10 10 VAL N N 121.9864 0.0000 1 43 11 11 ILE H H 7.9187 0.0000 1 44 11 11 ILE C C 175.9188 0.0000 1 45 11 11 ILE CA C 58.9318 0.0000 1 46 11 11 ILE CB C 37.7095 0.0000 1 47 11 11 ILE N N 123.3301 0.0000 1 48 12 12 CYS H H 8.8543 0.0000 1 49 12 12 CYS C C 178.3120 0.0000 1 50 12 12 CYS CA C 59.9086 0.0000 1 51 12 12 CYS CB C 30.8795 0.0000 1 52 12 12 CYS N N 128.2244 0.0000 1 53 13 13 GLU H H 9.5097 0.0000 1 54 13 13 GLU C C 176.1283 0.0000 1 55 13 13 GLU CA C 58.3417 0.0000 1 56 13 13 GLU CB C 29.9314 0.0000 1 57 13 13 GLU N N 131.5052 0.0000 1 58 14 14 GLU H H 9.2357 0.0000 1 59 14 14 GLU C C 177.5502 0.0000 1 60 14 14 GLU CA C 57.9685 0.0000 1 61 14 14 GLU CB C 30.6869 0.0000 1 62 14 14 GLU N N 121.1737 0.0000 1 63 15 15 CYS H H 8.3882 0.0000 1 64 15 15 CYS C C 177.4211 0.0000 1 65 15 15 CYS CA C 59.0490 0.0000 1 66 15 15 CYS CB C 32.9482 0.0000 1 67 15 15 CYS N N 117.3830 0.0000 1 68 16 16 GLY H H 8.0922 0.0000 1 69 16 16 GLY C C 173.5476 0.0000 1 70 16 16 GLY CA C 46.3144 0.0000 1 71 16 16 GLY N N 112.7933 0.0000 1 72 17 17 LYS H H 8.6195 0.0000 1 73 17 17 LYS C C 176.3210 0.0000 1 74 17 17 LYS CA C 56.3114 0.0000 1 75 17 17 LYS CB C 33.3503 0.0000 1 76 17 17 LYS N N 122.0834 0.0000 1 77 18 18 GLU H H 8.5252 0.0000 1 78 18 18 GLU C C 177.0487 0.0000 1 79 18 18 GLU CA C 55.8993 0.0000 1 80 18 18 GLU CB C 30.4477 0.0000 1 81 18 18 GLU N N 121.3757 0.0000 1 82 19 19 PHE H H 9.5761 0.0000 1 83 19 19 PHE C C 172.1797 0.0000 1 84 19 19 PHE CA C 56.2767 0.0000 1 85 19 19 PHE CB C 41.5008 0.0000 1 86 19 19 PHE N N 121.0567 0.0000 1 87 20 20 MET H H 8.8193 0.0000 1 88 20 20 MET C C 175.0261 0.0000 1 89 20 20 MET CA C 56.5242 0.0000 1 90 20 20 MET CB C 34.1553 0.0000 1 91 20 20 MET N N 118.4856 0.0000 1 92 21 21 ASP H H 8.0179 0.0000 1 93 21 21 ASP C C 174.7760 0.0000 1 94 21 21 ASP CA C 53.3326 0.0000 1 95 21 21 ASP CB C 44.1358 0.0000 1 96 21 21 ASP N N 116.9428 0.0000 1 97 22 22 SER H H 8.2479 0.0000 1 98 22 22 SER C C 172.4417 0.0000 1 99 22 22 SER CA C 56.3816 0.0000 1 100 22 22 SER CB C 66.3459 0.0000 1 101 22 22 SER N N 115.7572 0.0000 1 102 23 23 TYR H H 10.5491 0.0000 1 103 23 23 TYR C C 178.5759 0.0000 1 104 23 23 TYR CA C 62.5770 0.0000 1 105 23 23 TYR CB C 39.5058 0.0000 1 106 23 23 TYR N N 125.9421 0.0000 1 107 24 24 LEU H H 9.2349 0.0000 1 108 24 24 LEU C C 179.6215 0.0000 1 109 24 24 LEU CA C 57.8285 0.0000 1 110 24 24 LEU CB C 40.6902 0.0000 1 111 24 24 LEU N N 118.7117 0.0000 1 112 25 25 MET H H 8.3392 0.0000 1 113 25 25 MET C C 178.7333 0.0000 1 114 25 25 MET CA C 57.9208 0.0000 1 115 25 25 MET CB C 32.5237 0.0000 1 116 25 25 MET N N 123.9279 0.0000 1 117 26 26 ASN H H 8.6451 0.0000 1 118 26 26 ASN C C 177.4247 0.0000 1 119 26 26 ASN CA C 56.1557 0.0000 1 120 26 26 ASN CB C 38.3602 0.0000 1 121 26 26 ASN N N 117.9123 0.0000 1 122 27 27 HIS H H 7.6978 0.0000 1 123 27 27 HIS C C 175.3191 0.0000 1 124 27 27 HIS CA C 57.8924 0.0000 1 125 27 27 HIS CB C 29.5394 0.0000 1 126 27 27 HIS N N 110.5852 0.0000 1 127 28 28 PHE H H 7.2049 0.0000 1 128 28 28 PHE C C 174.3401 0.0000 1 129 28 28 PHE CA C 57.1698 0.0000 1 130 28 28 PHE CB C 41.0728 0.0000 1 131 28 28 PHE N N 111.8616 0.0000 1 132 29 29 ASP H H 7.9011 0.0000 1 133 29 29 ASP C C 174.5402 0.0000 1 134 29 29 ASP CA C 55.8915 0.0000 1 135 29 29 ASP CB C 39.4003 0.0000 1 136 29 29 ASP N N 116.4255 0.0000 1 137 30 30 LEU H H 7.7446 0.0000 1 138 30 30 LEU CA C 51.5888 0.0000 1 139 30 30 LEU CB C 44.6185 0.0000 1 140 30 30 LEU N N 123.6598 0.0000 1 141 31 31 PRO C C 173.5138 0.0000 1 142 31 31 PRO CA C 62.5458 0.0000 1 143 31 31 PRO CB C 28.0052 0.0000 1 144 32 32 THR H H 8.8199 0.0000 1 145 32 32 THR C C 174.6309 0.0000 1 146 32 32 THR CA C 61.3238 0.0000 1 147 32 32 THR CB C 71.8564 0.0000 1 148 32 32 THR N N 123.2920 0.0000 1 149 33 33 CYS H H 9.7971 0.0000 1 150 33 33 CYS C C 174.9168 0.0000 1 151 33 33 CYS CA C 58.5714 0.0000 1 152 33 33 CYS CB C 30.6866 0.0000 1 153 33 33 CYS N N 135.2986 0.0000 1 154 34 34 ASP H H 8.9890 0.0000 1 155 34 34 ASP C C 178.1201 0.0000 1 156 34 34 ASP CA C 57.2459 0.0000 1 157 34 34 ASP CB C 40.2426 0.0000 1 158 34 34 ASP N N 116.9179 0.0000 1 159 35 35 ASN H H 8.5469 0.0000 1 160 35 35 ASN C C 176.6608 0.0000 1 161 35 35 ASN CA C 56.0959 0.0000 1 162 35 35 ASN CB C 38.9210 0.0000 1 163 35 35 ASN N N 120.7015 0.0000 1 164 36 36 CYS H H 7.7593 0.0000 1 165 36 36 CYS C C 174.8481 0.0000 1 166 36 36 CYS CA C 61.3448 0.0000 1 167 36 36 CYS CB C 30.5918 0.0000 1 168 36 36 CYS N N 121.5206 0.0000 1 169 37 37 ARG H H 6.8628 0.0000 1 170 37 37 ARG C C 176.7144 0.0000 1 171 37 37 ARG CA C 56.6975 0.0000 1 172 37 37 ARG CB C 30.1565 0.0000 1 173 37 37 ARG N N 120.6139 0.0000 1 174 38 38 ASP H H 8.2254 0.0000 1 175 38 38 ASP C C 176.4861 0.0000 1 176 38 38 ASP CA C 51.6348 0.0000 1 177 38 38 ASP CB C 41.3675 0.0000 1 178 38 38 ASP N N 123.4686 0.0000 1 179 39 39 ALA H H 8.9035 0.0000 1 180 39 39 ALA C C 177.1723 0.0000 1 181 39 39 ALA CA C 53.9138 0.0000 1 182 39 39 ALA CB C 18.8657 0.0000 1 183 39 39 ALA N N 126.0925 0.0000 1 184 40 40 ASP H H 7.7629 0.0000 1 185 40 40 ASP C C 176.3126 0.0000 1 186 40 40 ASP CA C 55.2698 0.0000 1 187 40 40 ASP CB C 41.9722 0.0000 1 188 40 40 ASP N N 112.9367 0.0000 1 189 41 41 ASP H H 7.1430 0.0000 1 190 41 41 ASP CA C 55.4986 0.0000 1 191 41 41 ASP N N 117.2412 0.0000 1 192 42 42 LYS C C 178.2289 0.0000 1 193 42 42 LYS CA C 60.8225 0.0000 1 194 42 42 LYS CB C 32.9150 0.0000 1 195 43 43 HIS H H 8.5789 0.0000 1 196 43 43 HIS C C 173.4355 0.0000 1 197 43 43 HIS CA C 55.6295 0.0000 1 198 43 43 HIS CB C 29.9248 0.0000 1 199 43 43 HIS N N 113.6551 0.0000 1 200 44 44 LYS H H 6.7390 0.0000 1 201 44 44 LYS C C 176.1759 0.0000 1 202 44 44 LYS CA C 56.4799 0.0000 1 203 44 44 LYS CB C 33.6043 0.0000 1 204 44 44 LYS N N 117.4228 0.0000 1 205 45 45 LEU H H 8.3665 0.0000 1 206 45 45 LEU C C 176.9401 0.0000 1 207 45 45 LEU CA C 53.3380 0.0000 1 208 45 45 LEU CB C 43.1440 0.0000 1 209 45 45 LEU N N 122.9215 0.0000 1 210 46 46 ILE H H 9.4921 0.0000 1 211 46 46 ILE C C 174.0748 0.0000 1 212 46 46 ILE CA C 58.9924 0.0000 1 213 46 46 ILE CB C 42.5251 0.0000 1 214 46 46 ILE N N 118.1195 0.0000 1 215 47 47 THR H H 8.8101 0.0000 1 216 47 47 THR C C 175.8795 0.0000 1 217 47 47 THR CA C 61.8803 0.0000 1 218 47 47 THR CB C 71.1736 0.0000 1 219 47 47 THR N N 115.4529 0.0000 1 220 48 48 LYS H H 8.8513 0.0000 1 221 48 48 LYS C C 177.8700 0.0000 1 222 48 48 LYS CA C 60.4970 0.0000 1 223 48 48 LYS CB C 33.4719 0.0000 1 224 48 48 LYS N N 121.9586 0.0000 1 225 49 49 THR H H 7.9497 0.0000 1 226 49 49 THR C C 176.3237 0.0000 1 227 49 49 THR CA C 66.8017 0.0000 1 228 49 49 THR CB C 68.8897 0.0000 1 229 49 49 THR N N 112.1624 0.0000 1 230 50 50 GLU H H 7.9563 0.0000 1 231 50 50 GLU C C 178.5291 0.0000 1 232 50 50 GLU CA C 59.7044 0.0000 1 233 50 50 GLU CB C 29.7124 0.0000 1 234 50 50 GLU N N 122.9418 0.0000 1 235 51 51 ALA H H 8.8431 0.0000 1 236 51 51 ALA C C 179.3931 0.0000 1 237 51 51 ALA CA C 55.3196 0.0000 1 238 51 51 ALA CB C 18.3990 0.0000 1 239 51 51 ALA N N 121.1258 0.0000 1 240 52 52 LYS H H 8.2575 0.0000 1 241 52 52 LYS C C 176.8358 0.0000 1 242 52 52 LYS CA C 60.6325 0.0000 1 243 52 52 LYS CB C 32.3241 0.0000 1 244 52 52 LYS N N 114.5406 0.0000 1 245 53 53 GLN H H 7.9436 0.0000 1 246 53 53 GLN C C 177.9644 0.0000 1 247 53 53 GLN CA C 58.6047 0.0000 1 248 53 53 GLN CB C 29.4724 0.0000 1 249 53 53 GLN N N 116.5299 0.0000 1 250 54 54 GLU H H 8.8006 0.0000 1 251 54 54 GLU C C 177.3227 0.0000 1 252 54 54 GLU CA C 57.5120 0.0000 1 253 54 54 GLU CB C 29.8234 0.0000 1 254 54 54 GLU N N 115.5893 0.0000 1 255 55 55 TYR H H 7.2900 0.0000 1 256 55 55 TYR C C 172.4488 0.0000 1 257 55 55 TYR CA C 58.0390 0.0000 1 258 55 55 TYR CB C 37.1028 0.0000 1 259 55 55 TYR N N 113.2171 0.0000 1 260 56 56 LEU H H 7.0360 0.0000 1 261 56 56 LEU C C 176.1544 0.0000 1 262 56 56 LEU CA C 55.7526 0.0000 1 263 56 56 LEU CB C 39.0589 0.0000 1 264 56 56 LEU N N 115.5802 0.0000 1 265 57 57 LEU H H 7.4643 0.0000 1 266 57 57 LEU C C 176.3126 0.0000 1 267 57 57 LEU CA C 52.8859 0.0000 1 268 57 57 LEU CB C 44.9996 0.0000 1 269 57 57 LEU N N 117.2634 0.0000 1 270 58 58 LYS H H 9.4948 0.0000 1 271 58 58 LYS C C 178.5506 0.0000 1 272 58 58 LYS CA C 54.4182 0.0000 1 273 58 58 LYS CB C 35.5806 0.0000 1 274 58 58 LYS N N 121.3737 0.0000 1 275 59 59 ASP H H 8.9787 0.0000 1 276 59 59 ASP C C 179.5201 0.0000 1 277 59 59 ASP CA C 59.1128 0.0000 1 278 59 59 ASP CB C 39.6906 0.0000 1 279 59 59 ASP N N 122.7003 0.0000 1 280 60 60 CYS H H 8.6195 0.0000 1 281 60 60 CYS C C 176.3641 0.0000 1 282 60 60 CYS CA C 60.0949 0.0000 1 283 60 60 CYS CB C 26.8675 0.0000 1 284 60 60 CYS N N 115.1759 0.0000 1 285 61 61 ASP H H 7.4062 0.0000 1 286 61 61 ASP C C 176.1443 0.0000 1 287 61 61 ASP CA C 57.1792 0.0000 1 288 61 61 ASP CB C 42.7599 0.0000 1 289 61 61 ASP N N 123.2727 0.0000 1 290 62 62 LEU H H 7.3050 0.0000 1 291 62 62 LEU C C 177.6329 0.0000 1 292 62 62 LEU CA C 56.7467 0.0000 1 293 62 62 LEU CB C 42.6365 0.0000 1 294 62 62 LEU N N 116.2543 0.0000 1 295 63 63 GLU H H 8.0469 0.0000 1 296 63 63 GLU C C 179.5451 0.0000 1 297 63 63 GLU CA C 57.3257 0.0000 1 298 63 63 GLU CB C 32.3966 0.0000 1 299 63 63 GLU N N 113.9028 0.0000 1 300 64 64 LYS H H 7.9460 0.0000 1 301 64 64 LYS C C 176.6839 0.0000 1 302 64 64 LYS CA C 56.0123 0.0000 1 303 64 64 LYS CB C 33.2699 0.0000 1 304 64 64 LYS N N 116.5322 0.0000 1 305 65 65 ARG H H 6.9478 0.0000 1 306 65 65 ARG C C 174.5427 0.0000 1 307 65 65 ARG CA C 56.4779 0.0000 1 308 65 65 ARG CB C 30.3767 0.0000 1 309 65 65 ARG N N 120.0519 0.0000 1 310 66 66 GLU H H 8.2537 0.0000 1 311 66 66 GLU CA C 54.3913 0.0000 1 312 66 66 GLU CB C 32.6408 0.0000 1 313 66 66 GLU N N 122.3163 0.0000 1 314 68 68 PRO C C 177.4806 0.0000 1 315 68 68 PRO CA C 63.0177 0.0000 1 316 68 68 PRO CB C 31.9321 0.0000 1 317 69 69 LEU H H 8.2149 0.0000 1 318 69 69 LEU C C 178.0592 0.0000 1 319 69 69 LEU CA C 55.2053 0.0000 1 320 69 69 LEU CB C 42.3750 0.0000 1 321 69 69 LEU N N 122.3733 0.0000 1 322 70 70 LYS H H 9.7238 0.0000 1 323 70 70 LYS C C 173.9402 0.0000 1 324 70 70 LYS CA C 56.2060 0.0000 1 325 70 70 LYS CB C 34.3858 0.0000 1 326 70 70 LYS N N 125.2792 0.0000 1 327 71 71 PHE H H 7.0410 0.0000 1 328 71 71 PHE C C 175.6166 0.0000 1 329 71 71 PHE CA C 54.7731 0.0000 1 330 71 71 PHE CB C 41.2097 0.0000 1 331 71 71 PHE N N 111.6557 0.0000 1 332 72 72 ILE H H 9.2313 0.0000 1 333 72 72 ILE C C 174.9247 0.0000 1 334 72 72 ILE CA C 59.4697 0.0000 1 335 72 72 ILE CB C 41.5715 0.0000 1 336 72 72 ILE N N 118.0133 0.0000 1 337 73 73 VAL H H 8.5223 0.0000 1 338 73 73 VAL C C 176.0141 0.0000 1 339 73 73 VAL CA C 61.5000 0.0000 1 340 73 73 VAL CB C 33.2837 0.0000 1 341 73 73 VAL N N 123.2855 0.0000 1 342 74 74 LYS H H 8.9134 0.0000 1 343 74 74 LYS C C 175.1565 0.0000 1 344 74 74 LYS CA C 54.7888 0.0000 1 345 74 74 LYS CB C 35.3064 0.0000 1 346 74 74 LYS N N 128.3954 0.0000 1 347 75 75 LYS H H 8.5396 0.0000 1 348 75 75 LYS C C 176.3317 0.0000 1 349 75 75 LYS CA C 56.0262 0.0000 1 350 75 75 LYS CB C 32.6112 0.0000 1 351 75 75 LYS N N 124.7057 0.0000 1 352 76 76 ASN H H 8.8797 0.0000 1 353 76 76 ASN CA C 51.2529 0.0000 1 354 76 76 ASN CB C 39.4724 0.0000 1 355 76 76 ASN N N 122.6727 0.0000 1 356 78 78 HIS CA C 58.0899 0.0000 1 357 79 79 HIS H H 8.1287 0.0000 1 358 79 79 HIS CB C 29.1878 0.0000 1 359 79 79 HIS N N 120.3341 0.0000 1 360 80 80 SER C C 175.2561 0.0000 1 361 80 80 SER CA C 59.5609 0.0000 1 362 80 80 SER CB C 63.5782 0.0000 1 363 81 81 GLN H H 8.7308 0.0000 1 364 81 81 GLN C C 176.0881 0.0000 1 365 81 81 GLN CA C 56.6215 0.0000 1 366 81 81 GLN CB C 28.6669 0.0000 1 367 81 81 GLN N N 121.0741 0.0000 1 368 82 82 TRP H H 7.9796 0.0000 1 369 82 82 TRP C C 176.7987 0.0000 1 370 82 82 TRP CA C 56.9180 0.0000 1 371 82 82 TRP CB C 29.8682 0.0000 1 372 82 82 TRP N N 119.8519 0.0000 1 373 83 83 GLY H H 8.2525 0.0000 1 374 83 83 GLY C C 173.6628 0.0000 1 375 83 83 GLY CA C 45.4828 0.0000 1 376 83 83 GLY N N 108.6604 0.0000 1 377 84 84 ASP H H 8.2596 0.0000 1 378 84 84 ASP C C 176.0760 0.0000 1 379 84 84 ASP CA C 54.6772 0.0000 1 380 84 84 ASP CB C 41.4979 0.0000 1 381 84 84 ASP N N 120.6470 0.0000 1 382 85 85 MET H H 8.6036 0.0000 1 383 85 85 MET C C 174.4236 0.0000 1 384 85 85 MET CA C 54.7861 0.0000 1 385 85 85 MET CB C 34.8834 0.0000 1 386 85 85 MET N N 120.5504 0.0000 1 387 86 86 LYS H H 8.2508 0.0000 1 388 86 86 LYS C C 174.9681 0.0000 1 389 86 86 LYS CA C 56.2461 0.0000 1 390 86 86 LYS CB C 34.9332 0.0000 1 391 86 86 LYS N N 123.5987 0.0000 1 392 87 87 LEU H H 9.3003 0.0000 1 393 87 87 LEU C C 175.0462 0.0000 1 394 87 87 LEU CA C 53.9526 0.0000 1 395 87 87 LEU CB C 44.4605 0.0000 1 396 87 87 LEU N N 122.7099 0.0000 1 397 88 88 TYR H H 9.2910 0.0000 1 398 88 88 TYR C C 174.9994 0.0000 1 399 88 88 TYR CA C 56.5346 0.0000 1 400 88 88 TYR CB C 42.7125 0.0000 1 401 88 88 TYR N N 119.8858 0.0000 1 402 89 89 LEU H H 9.3866 0.0000 1 403 89 89 LEU C C 178.2429 0.0000 1 404 89 89 LEU CA C 54.6621 0.0000 1 405 89 89 LEU CB C 41.3619 0.0000 1 406 89 89 LEU N N 123.0990 0.0000 1 407 90 90 LYS H H 8.7776 0.0000 1 408 90 90 LYS C C 177.6864 0.0000 1 409 90 90 LYS CA C 61.7948 0.0000 1 410 90 90 LYS CB C 32.0645 0.0000 1 411 90 90 LYS N N 131.8652 0.0000 1 412 91 91 LEU H H 9.3976 0.0000 1 413 91 91 LEU C C 179.8585 0.0000 1 414 91 91 LEU CA C 58.7413 0.0000 1 415 91 91 LEU CB C 41.9363 0.0000 1 416 91 91 LEU N N 117.4479 0.0000 1 417 92 92 GLN H H 7.1912 0.0000 1 418 92 92 GLN C C 178.5516 0.0000 1 419 92 92 GLN CA C 58.3773 0.0000 1 420 92 92 GLN CB C 27.6175 0.0000 1 421 92 92 GLN N N 116.7830 0.0000 1 422 93 93 ILE H H 7.6884 0.0000 1 423 93 93 ILE C C 177.2981 0.0000 1 424 93 93 ILE CA C 60.8969 0.0000 1 425 93 93 ILE CB C 34.3533 0.0000 1 426 93 93 ILE N N 123.8842 0.0000 1 427 94 94 VAL H H 8.5999 0.0000 1 428 94 94 VAL C C 179.1469 0.0000 1 429 94 94 VAL CA C 66.7806 0.0000 1 430 94 94 VAL CB C 31.7447 0.0000 1 431 94 94 VAL N N 120.7088 0.0000 1 432 95 95 LYS H H 7.2111 0.0000 1 433 95 95 LYS C C 178.7234 0.0000 1 434 95 95 LYS CA C 59.9758 0.0000 1 435 95 95 LYS CB C 32.4473 0.0000 1 436 95 95 LYS N N 118.6772 0.0000 1 437 96 96 ARG H H 8.0385 0.0000 1 438 96 96 ARG C C 177.9536 0.0000 1 439 96 96 ARG CA C 56.4430 0.0000 1 440 96 96 ARG CB C 27.8251 0.0000 1 441 96 96 ARG N N 119.4326 0.0000 1 442 97 97 SER H H 8.9560 0.0000 1 443 97 97 SER C C 176.1791 0.0000 1 444 97 97 SER CA C 62.7099 0.0000 1 445 97 97 SER CB C 63.0873 0.0000 1 446 97 97 SER N N 116.0209 0.0000 1 447 98 98 LEU H H 7.8551 0.0000 1 448 98 98 LEU C C 180.7377 0.0000 1 449 98 98 LEU CA C 57.7792 0.0000 1 450 98 98 LEU CB C 41.1669 0.0000 1 451 98 98 LEU N N 121.9491 0.0000 1 452 99 99 GLU H H 7.9258 0.0000 1 453 99 99 GLU C C 178.8228 0.0000 1 454 99 99 GLU CA C 59.1013 0.0000 1 455 99 99 GLU CB C 29.5547 0.0000 1 456 99 99 GLU N N 121.1635 0.0000 1 457 100 100 VAL H H 7.9543 0.0000 1 458 100 100 VAL C C 178.0330 0.0000 1 459 100 100 VAL CA C 65.9375 0.0000 1 460 100 100 VAL CB C 32.4188 0.0000 1 461 100 100 VAL N N 118.5173 0.0000 1 462 101 101 TRP H H 8.6388 0.0000 1 463 101 101 TRP C C 177.6963 0.0000 1 464 101 101 TRP CA C 58.8557 0.0000 1 465 101 101 TRP CB C 30.1258 0.0000 1 466 101 101 TRP N N 117.4474 0.0000 1 467 102 102 GLY H H 8.1287 0.0000 1 468 102 102 GLY C C 174.1088 0.0000 1 469 102 102 GLY CA C 46.7463 0.0000 1 470 102 102 GLY N N 111.5753 0.0000 1 471 103 103 SER H H 7.5394 0.0000 1 472 103 103 SER C C 173.6499 0.0000 1 473 103 103 SER CA C 57.1783 0.0000 1 474 103 103 SER CB C 65.5660 0.0000 1 475 103 103 SER N N 109.9369 0.0000 1 476 104 104 GLN H H 9.2625 0.0000 1 477 104 104 GLN C C 177.9753 0.0000 1 478 104 104 GLN CA C 58.4809 0.0000 1 479 104 104 GLN CB C 28.0209 0.0000 1 480 104 104 GLN N N 122.6701 0.0000 1 481 105 105 GLU H H 9.0013 0.0000 1 482 105 105 GLU C C 178.8689 0.0000 1 483 105 105 GLU CA C 60.5191 0.0000 1 484 105 105 GLU CB C 28.6095 0.0000 1 485 105 105 GLU N N 118.9952 0.0000 1 486 106 106 ALA H H 8.1075 0.0000 1 487 106 106 ALA C C 180.7101 0.0000 1 488 106 106 ALA CA C 54.9238 0.0000 1 489 106 106 ALA CB C 19.0044 0.0000 1 490 106 106 ALA N N 122.8022 0.0000 1 491 107 107 LEU H H 7.3496 0.0000 1 492 107 107 LEU C C 177.6681 0.0000 1 493 107 107 LEU CA C 58.0194 0.0000 1 494 107 107 LEU CB C 41.0332 0.0000 1 495 107 107 LEU N N 121.8461 0.0000 1 496 108 108 GLU H H 8.3128 0.0000 1 497 108 108 GLU C C 179.8873 0.0000 1 498 108 108 GLU CA C 59.3858 0.0000 1 499 108 108 GLU CB C 28.4537 0.0000 1 500 108 108 GLU N N 117.6898 0.0000 1 501 109 109 GLU H H 8.0986 0.0000 1 502 109 109 GLU C C 178.3518 0.0000 1 503 109 109 GLU CA C 59.3384 0.0000 1 504 109 109 GLU CB C 29.4339 0.0000 1 505 109 109 GLU N N 120.0371 0.0000 1 506 110 110 ALA H H 7.5520 0.0000 1 507 110 110 ALA C C 180.7268 0.0000 1 508 110 110 ALA CA C 54.7562 0.0000 1 509 110 110 ALA CB C 18.5020 0.0000 1 510 110 110 ALA N N 122.3497 0.0000 1 511 111 111 LYS H H 8.0443 0.0000 1 512 111 111 LYS C C 178.8829 0.0000 1 513 111 111 LYS CA C 59.7776 0.0000 1 514 111 111 LYS CB C 32.2602 0.0000 1 515 111 111 LYS N N 118.6962 0.0000 1 516 112 112 GLU H H 7.7689 0.0000 1 517 112 112 GLU C C 178.7114 0.0000 1 518 112 112 GLU CA C 58.8711 0.0000 1 519 112 112 GLU CB C 29.2501 0.0000 1 520 112 112 GLU N N 120.2719 0.0000 1 521 113 113 VAL H H 7.9096 0.0000 1 522 113 113 VAL C C 177.8816 0.0000 1 523 113 113 VAL CA C 64.8918 0.0000 1 524 113 113 VAL CB C 31.9734 0.0000 1 525 113 113 VAL N N 119.2464 0.0000 1 526 114 114 ARG H H 7.8430 0.0000 1 527 114 114 ARG C C 178.0318 0.0000 1 528 114 114 ARG CA C 58.1438 0.0000 1 529 114 114 ARG CB C 30.2674 0.0000 1 530 114 114 ARG N N 120.4519 0.0000 1 531 115 115 GLN H H 8.2802 0.0000 1 532 115 115 GLN C C 178.0413 0.0000 1 533 115 115 GLN CA C 58.0551 0.0000 1 534 115 115 GLN CB C 29.5941 0.0000 1 535 115 115 GLN N N 120.2021 0.0000 1 536 116 116 GLU H H 8.0975 0.0000 1 537 116 116 GLU C C 176.9101 0.0000 1 538 116 116 GLU CA C 57.9708 0.0000 1 539 116 116 GLU CB C 32.6924 0.0000 1 540 116 116 GLU N N 120.2657 0.0000 1 541 117 117 ASN H H 8.2742 0.0000 1 542 117 117 ASN C C 176.8642 0.0000 1 543 117 117 ASN CA C 54.4862 0.0000 1 544 117 117 ASN CB C 41.3402 0.0000 1 545 117 117 ASN N N 122.0627 0.0000 1 546 118 118 ARG H H 8.1386 0.0000 1 547 118 118 ARG C C 175.2669 0.0000 1 548 118 118 ARG CA C 56.1195 0.0000 1 549 118 118 ARG CB C 30.4835 0.0000 1 550 118 118 ARG N N 121.6050 0.0000 1 551 119 119 GLU H H 7.7671 0.0000 1 552 119 119 GLU C C 175.3865 0.0000 1 553 119 119 GLU CA C 55.8863 0.0000 1 554 119 119 GLU CB C 29.7424 0.0000 1 555 119 119 GLU N N 118.2598 0.0000 1 556 120 120 LYS H H 8.4026 0.0000 1 557 120 120 LYS C C 176.7144 0.0000 1 558 120 120 LYS CA C 58.2560 0.0000 1 559 120 120 LYS CB C 32.8060 0.0000 1 560 120 120 LYS N N 117.8348 0.0000 1 561 121 121 MET H H 8.1895 0.0000 1 562 121 121 MET C C 177.9523 0.0000 1 563 121 121 MET CA C 57.7197 0.0000 1 564 121 121 MET CB C 32.3929 0.0000 1 565 121 121 MET N N 121.9624 0.0000 1 566 122 122 LYS H H 8.0388 0.0000 1 567 122 122 LYS C C 177.1783 0.0000 1 568 122 122 LYS CA C 56.5606 0.0000 1 569 122 122 LYS CB C 32.3245 0.0000 1 570 122 122 LYS N N 119.0257 0.0000 1 571 123 123 GLN H H 8.0080 0.0000 1 572 123 123 GLN C C 177.2345 0.0000 1 573 123 123 GLN CA C 57.3842 0.0000 1 574 123 123 GLN CB C 32.5989 0.0000 1 575 123 123 GLN N N 121.0206 0.0000 1 576 124 124 LYS H H 8.1337 0.0000 1 577 124 124 LYS C C 177.2959 0.0000 1 578 124 124 LYS CA C 57.5838 0.0000 1 579 124 124 LYS CB C 28.6595 0.0000 1 580 124 124 LYS N N 120.0814 0.0000 1 581 125 125 LYS H H 8.3769 0.0000 1 582 125 125 LYS C C 177.8095 0.0000 1 583 125 125 LYS CA C 58.1818 0.0000 1 584 125 125 LYS CB C 29.5550 0.0000 1 585 125 125 LYS N N 120.7782 0.0000 1 586 126 126 PHE H H 8.3320 0.0000 1 587 126 126 PHE C C 176.6329 0.0000 1 588 126 126 PHE CA C 54.6435 0.0000 1 589 126 126 PHE CB C 38.4271 0.0000 1 590 126 126 PHE N N 118.4344 0.0000 1 591 127 127 ASP H H 8.1843 0.0000 1 592 127 127 ASP C C 175.5555 0.0000 1 593 127 127 ASP CA C 58.0026 0.0000 1 594 127 127 ASP CB C 39.5102 0.0000 1 595 127 127 ASP N N 121.0217 0.0000 1 596 128 128 LYS H H 8.2815 0.0000 1 597 128 128 LYS C C 176.3510 0.0000 1 598 128 128 LYS CA C 56.9008 0.0000 1 599 128 128 LYS CB C 32.7487 0.0000 1 600 128 128 LYS N N 122.0544 0.0000 1 601 129 129 LYS H H 8.1350 0.0000 1 602 129 129 LYS C C 176.9101 0.0000 1 603 129 129 LYS CA C 56.9232 0.0000 1 604 129 129 LYS CB C 32.8514 0.0000 1 605 129 129 LYS N N 121.5623 0.0000 1 606 130 130 VAL H H 8.2757 0.0000 1 607 130 130 VAL C C 177.1783 0.0000 1 608 130 130 VAL CA C 56.8632 0.0000 1 609 130 130 VAL CB C 32.4299 0.0000 1 610 130 130 VAL N N 121.7229 0.0000 1 611 131 131 LYS H H 8.0307 0.0000 1 612 131 131 LYS C C 176.5848 0.0000 1 613 131 131 LYS CA C 63.1353 0.0000 1 614 131 131 LYS CB C 32.6491 0.0000 1 615 131 131 LYS N N 120.9480 0.0000 1 616 132 132 GLU H H 8.2455 0.0000 1 617 132 132 GLU C C 176.1476 0.0000 1 618 132 132 GLU CA C 56.7939 0.0000 1 619 132 132 GLU CB C 32.8618 0.0000 1 620 132 132 GLU N N 124.1020 0.0000 1 621 133 133 LEU H H 8.1983 0.0000 1 622 133 133 LEU C C 177.6208 0.0000 1 623 133 133 LEU CA C 58.0076 0.0000 1 624 133 133 LEU CB C 39.5493 0.0000 1 625 133 133 LEU N N 120.4400 0.0000 1 626 134 134 ARG H H 8.1286 0.0000 1 627 134 134 ARG C C 176.4300 0.0000 1 628 134 134 ARG CA C 56.3919 0.0000 1 629 134 134 ARG CB C 29.1324 0.0000 1 630 134 134 ARG N N 120.3254 0.0000 1 631 135 135 ARG H H 8.1989 0.0000 1 632 135 135 ARG C C 176.1219 0.0000 1 633 135 135 ARG CA C 56.3149 0.0000 1 634 135 135 ARG CB C 30.7539 0.0000 1 635 135 135 ARG N N 121.9495 0.0000 1 636 136 136 ALA H H 8.2709 0.0000 1 637 136 136 ALA C C 177.7764 0.0000 1 638 136 136 ALA CA C 52.5763 0.0000 1 639 136 136 ALA CB C 19.1722 0.0000 1 640 136 136 ALA N N 125.1673 0.0000 1 641 137 137 VAL H H 8.0745 0.0000 1 642 137 137 VAL C C 176.3914 0.0000 1 643 137 137 VAL CA C 62.4321 0.0000 1 644 137 137 VAL CB C 32.6641 0.0000 1 645 137 137 VAL N N 119.4678 0.0000 1 646 138 138 ARG H H 8.3800 0.0000 1 647 138 138 ARG C C 176.3350 0.0000 1 648 138 138 ARG CA C 56.2182 0.0000 1 649 138 138 ARG CB C 30.7859 0.0000 1 650 138 138 ARG N N 124.6031 0.0000 1 651 139 139 SER H H 8.3297 0.0000 1 652 139 139 SER C C 174.7030 0.0000 1 653 139 139 SER CA C 58.4495 0.0000 1 654 139 139 SER CB C 63.8878 0.0000 1 655 139 139 SER N N 117.0663 0.0000 1 656 140 140 SER H H 8.3728 0.0000 1 657 140 140 SER C C 174.6170 0.0000 1 658 140 140 SER CA C 58.5806 0.0000 1 659 140 140 SER CB C 63.7392 0.0000 1 660 140 140 SER N N 117.8988 0.0000 1 661 141 141 VAL H H 7.9891 0.0000 1 662 141 141 VAL C C 175.8522 0.0000 1 663 141 141 VAL CA C 62.5755 0.0000 1 664 141 141 VAL CB C 32.4365 0.0000 1 665 141 141 VAL N N 120.6402 0.0000 1 666 142 142 TRP H H 8.0641 0.0000 1 667 142 142 TRP C C 175.7437 0.0000 1 668 142 142 TRP CA C 57.2756 0.0000 1 669 142 142 TRP CB C 29.5284 0.0000 1 670 142 142 TRP N N 124.2325 0.0000 1 671 143 143 LYS H H 7.8850 0.0000 1 672 143 143 LYS C C 175.4700 0.0000 1 673 143 143 LYS CA C 55.8572 0.0000 1 674 143 143 LYS CB C 33.3696 0.0000 1 675 143 143 LYS N N 123.7794 0.0000 1 676 144 144 ARG H H 8.1196 0.0000 1 677 144 144 ARG C C 176.1455 0.0000 1 678 144 144 ARG CA C 56.1042 0.0000 1 679 144 144 ARG CB C 30.6109 0.0000 1 680 144 144 ARG N N 122.7281 0.0000 1 681 145 145 GLU H H 8.4831 0.0000 1 682 145 145 GLU C C 175.8447 0.0000 1 683 145 145 GLU CA C 56.7002 0.0000 1 684 145 145 GLU CB C 30.3752 0.0000 1 685 145 145 GLU N N 123.0127 0.0000 1 686 146 146 THR H H 7.8126 0.0000 1 687 146 146 THR CA C 63.1955 0.0000 1 688 146 146 THR CB C 70.6750 0.0000 1 689 146 146 THR N N 120.1586 0.0000 1 stop_ save_