data_19182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the catalytic domain of human Aprataxin ; _BMRB_accession_number 19182 _BMRB_flat_file_name bmr19182.str _Entry_type original _Submission_date 2013-04-19 _Accession_date 2013-04-19 _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 Bellstedt Peter . . 2 Seiboth Thomas . . 3 Goerlach Matthias . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 150 "13C chemical shifts" 334 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-27 update author 'update entry citation' 2013-05-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment for a particularly challenging protein based on systematic unlabeling of amino acids to complement incomplete NMR data sets' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23943084 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bellstedt Peter . . 2 Seiboth Thomas . . 3 Haefner Sabine . . 4 Kutscha Henriette . . 5 Ramachandran Ramadurai . . 6 Goerlach Matthias . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 57 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 65 _Page_last 72 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Aprataxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Aprataxin, chain 1' $Aprataxin 'Aprataxin, chain 2' $Aprataxin 'zinc ion' $entity_ZN 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_Aprataxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Aprataxin _Molecular_mass 23387 _Mol_thiol_state 'not reported' loop_ _Biological_function 'Removal of adenylate intermediates from DNA' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; GSHMLECSVPLKKGKDAPIK KESLGHWSQGLKISMQDPKM QVYKDEQVVVIKDKYPKARY HWLVLPWTSISSLKAVAREH LELLKHMHTVGEKVIVDFAG SSKLRFRLGYHAIPSMSHVH LHVISQDFDSPCLKNKKHWN SFNTEYFLESQAVIEMVQEA GRVTVRDGMPELLKLPLRCH ECQQLLPSIPQLKEHLRKHW TQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 LEU 6 6 GLU 7 7 CYS 8 8 SER 9 9 VAL 10 10 PRO 11 11 LEU 12 12 LYS 13 13 LYS 14 14 GLY 15 15 LYS 16 16 ASP 17 17 ALA 18 18 PRO 19 19 ILE 20 20 LYS 21 21 LYS 22 22 GLU 23 23 SER 24 24 LEU 25 25 GLY 26 26 HIS 27 27 TRP 28 28 SER 29 29 GLN 30 30 GLY 31 31 LEU 32 32 LYS 33 33 ILE 34 34 SER 35 35 MET 36 36 GLN 37 37 ASP 38 38 PRO 39 39 LYS 40 40 MET 41 41 GLN 42 42 VAL 43 43 TYR 44 44 LYS 45 45 ASP 46 46 GLU 47 47 GLN 48 48 VAL 49 49 VAL 50 50 VAL 51 51 ILE 52 52 LYS 53 53 ASP 54 54 LYS 55 55 TYR 56 56 PRO 57 57 LYS 58 58 ALA 59 59 ARG 60 60 TYR 61 61 HIS 62 62 TRP 63 63 LEU 64 64 VAL 65 65 LEU 66 66 PRO 67 67 TRP 68 68 THR 69 69 SER 70 70 ILE 71 71 SER 72 72 SER 73 73 LEU 74 74 LYS 75 75 ALA 76 76 VAL 77 77 ALA 78 78 ARG 79 79 GLU 80 80 HIS 81 81 LEU 82 82 GLU 83 83 LEU 84 84 LEU 85 85 LYS 86 86 HIS 87 87 MET 88 88 HIS 89 89 THR 90 90 VAL 91 91 GLY 92 92 GLU 93 93 LYS 94 94 VAL 95 95 ILE 96 96 VAL 97 97 ASP 98 98 PHE 99 99 ALA 100 100 GLY 101 101 SER 102 102 SER 103 103 LYS 104 104 LEU 105 105 ARG 106 106 PHE 107 107 ARG 108 108 LEU 109 109 GLY 110 110 TYR 111 111 HIS 112 112 ALA 113 113 ILE 114 114 PRO 115 115 SER 116 116 MET 117 117 SER 118 118 HIS 119 119 VAL 120 120 HIS 121 121 LEU 122 122 HIS 123 123 VAL 124 124 ILE 125 125 SER 126 126 GLN 127 127 ASP 128 128 PHE 129 129 ASP 130 130 SER 131 131 PRO 132 132 CYS 133 133 LEU 134 134 LYS 135 135 ASN 136 136 LYS 137 137 LYS 138 138 HIS 139 139 TRP 140 140 ASN 141 141 SER 142 142 PHE 143 143 ASN 144 144 THR 145 145 GLU 146 146 TYR 147 147 PHE 148 148 LEU 149 149 GLU 150 150 SER 151 151 GLN 152 152 ALA 153 153 VAL 154 154 ILE 155 155 GLU 156 156 MET 157 157 VAL 158 158 GLN 159 159 GLU 160 160 ALA 161 161 GLY 162 162 ARG 163 163 VAL 164 164 THR 165 165 VAL 166 166 ARG 167 167 ASP 168 168 GLY 169 169 MET 170 170 PRO 171 171 GLU 172 172 LEU 173 173 LEU 174 174 LYS 175 175 LEU 176 176 PRO 177 177 LEU 178 178 ARG 179 179 CYS 180 180 HIS 181 181 GLU 182 182 CYS 183 183 GLN 184 184 GLN 185 185 LEU 186 186 LEU 187 187 PRO 188 188 SER 189 189 ILE 190 190 PRO 191 191 GLN 192 192 LEU 193 193 LYS 194 194 GLU 195 195 HIS 196 196 LEU 197 197 ARG 198 198 LYS 199 199 HIS 200 200 TRP 201 201 THR 202 202 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 4NDF "Human Aprataxin (aptx) Bound To Rna-dna, Amp, And Zn - Product Complex" 88.61 182 99.44 100.00 1.52e-127 PDB 4NDG "Human Aprataxin (aptx) Bound To Rna-dna And Zn - Adenosine Vanadate Transition State Mimic Complex" 88.61 182 99.44 100.00 1.52e-127 PDB 4NDH "Human Aprataxin (aptx) Bound To Dna, Amp, And Zn - Product Complex" 88.61 182 99.44 100.00 1.52e-127 PDB 4NDI "Human Aprataxin (aptx) Aoa1 Variant K197q Bound To Rna-dna, Amp, And Zn - Product Complex" 88.61 182 98.88 100.00 4.45e-127 DBJ BAA90985 "unnamed protein product [Homo sapiens]" 83.17 168 100.00 100.00 2.61e-119 DBJ BAD51939 "aprataxin [Macaca fascicularis]" 83.17 168 98.81 99.40 2.92e-118 DBJ BAG51552 "unnamed protein product [Homo sapiens]" 74.75 306 97.35 98.68 6.11e-101 DBJ BAI47119 "aprataxin [synthetic construct]" 100.00 356 98.02 99.01 2.64e-141 DBJ BAK31015 "aprataxin [Homo sapiens]" 77.72 288 97.45 98.73 8.37e-106 EMBL CAD98041 "hypothetical protein [Homo sapiens]" 74.75 292 97.35 98.68 4.52e-101 GB AAH01628 "Aprataxin [Homo sapiens]" 83.17 168 100.00 100.00 2.61e-119 GB AAH32650 "Aprataxin [Homo sapiens]" 100.00 254 98.02 99.01 1.01e-142 GB AAI04882 "Aprataxin, isoform a [Homo sapiens]" 100.00 342 98.02 99.01 1.63e-141 GB AAK91768 "forkhead-associated domain histidine-triad like protein [Homo sapiens]" 100.00 356 98.02 99.01 2.64e-141 GB AAP86319 "FHA-HIT short isoform [Homo sapiens]" 100.00 356 98.02 99.01 2.64e-141 REF NP_001182177 "aprataxin isoform e [Homo sapiens]" 100.00 356 98.02 99.01 2.64e-141 REF NP_001182178 "aprataxin isoform a [Homo sapiens]" 100.00 342 98.02 99.01 1.63e-141 REF NP_001182179 "aprataxin isoform f [Homo sapiens]" 100.00 302 98.02 99.01 9.12e-142 REF NP_001182180 "aprataxin isoform g [Homo sapiens]" 74.75 292 97.35 98.68 4.52e-101 REF NP_001182183 "aprataxin isoform h [Homo sapiens]" 100.00 288 98.02 99.01 5.42e-142 SP Q7Z2E3 "RecName: Full=Aprataxin; AltName: Full=Forkhead-associated domain histidine triad-like protein; Short=FHA-HIT" 100.00 356 98.02 99.01 2.64e-141 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Aprataxin Human 9606 Eukaryota Metazoa Homo sapiens APTX 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 $Aprataxin 'recombinant technology' . Escherichia coli BL21(DE3) pET-15b 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 _Concentration_max_value _Isotopic_labeling $Aprataxin 0.5 mM 0.5 '[U-100% 13C; U-100% 15N]' TRIS 10 mM . [U-2H] 'sodium chloride' 150 mM . 'natural abundance' 'sodium azide' 0.05 w/v . 'natural abundance' H2O 90 % . 'natural abundance' D2O 10 % . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Uniformly [15N,13C]-labeled protein was expressed in the presence of all 20 [14N,12C]-amino acids (one specific amino acid per sample).' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Aprataxin 0.38 mM '[U-13C; U-15N]; [U-14N; U12C]-specific amino acid' TRIS 10 mM [U-2H] 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_HN(CO)_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CO)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_standard_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 160 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $standard_condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Aprataxin, chain 1' _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 8 8 SER C C 173.507 0.000 1 2 8 8 SER CA C 58.317 0.017 1 3 9 9 VAL H H 7.957 0.035 1 4 9 9 VAL C C 174.315 0.000 1 5 9 9 VAL CA C 59.872 0.000 1 6 9 9 VAL N N 122.657 0.040 1 7 10 10 PRO C C 176.594 0.000 1 8 10 10 PRO CA C 63.009 0.000 1 9 11 11 LEU H H 8.236 0.019 1 10 11 11 LEU C C 177.292 0.001 1 11 11 11 LEU CA C 55.157 0.005 1 12 11 11 LEU N N 122.943 0.030 1 13 12 12 LYS H H 8.250 0.027 1 14 12 12 LYS C C 176.125 0.000 1 15 12 12 LYS CA C 56.033 0.000 1 16 12 12 LYS N N 122.609 0.100 1 17 15 15 LYS C C 176.324 0.000 1 18 15 15 LYS CA C 56.580 0.000 1 19 16 16 ASP H H 8.333 0.002 1 20 16 16 ASP C C 175.277 0.004 1 21 16 16 ASP CA C 54.136 0.012 1 22 16 16 ASP N N 120.244 0.092 1 23 17 17 ALA H H 7.952 0.034 1 24 17 17 ALA C C 175.354 0.000 1 25 17 17 ALA CA C 50.573 0.000 1 26 17 17 ALA N N 124.817 0.037 1 27 18 18 PRO C C 176.777 0.000 1 28 18 18 PRO CA C 63.068 0.000 1 29 19 19 ILE H H 8.083 0.026 1 30 19 19 ILE C C 176.183 0.020 1 31 19 19 ILE CA C 61.154 0.027 1 32 19 19 ILE N N 120.523 0.084 1 33 20 20 LYS H H 8.281 0.008 1 34 20 20 LYS C C 176.439 0.000 1 35 20 20 LYS CA C 56.095 0.000 1 36 20 20 LYS N N 125.386 0.061 1 37 31 31 LEU C C 177.788 0.000 1 38 31 31 LEU CA C 57.603 0.143 1 39 32 32 LYS H H 7.941 0.015 1 40 32 32 LYS C C 178.548 0.004 1 41 32 32 LYS CA C 59.161 0.004 1 42 32 32 LYS N N 117.652 0.106 1 43 33 33 ILE H H 7.546 0.019 1 44 33 33 ILE C C 178.974 0.034 1 45 33 33 ILE CA C 63.404 0.005 1 46 33 33 ILE N N 117.850 0.037 1 47 34 34 SER H H 7.916 0.007 1 48 34 34 SER C C 175.183 0.002 1 49 34 34 SER CA C 62.076 0.007 1 50 34 34 SER N N 117.560 0.030 1 51 35 35 MET H H 8.072 0.024 1 52 35 35 MET C C 175.508 0.010 1 53 35 35 MET CA C 58.460 0.149 1 54 35 35 MET N N 116.523 0.048 1 55 36 36 GLN H H 7.197 0.021 1 56 36 36 GLN C C 175.048 0.002 1 57 36 36 GLN CA C 55.300 0.006 1 58 36 36 GLN N N 112.643 0.066 1 59 37 37 ASP H H 7.448 0.042 1 60 37 37 ASP C C 175.527 0.000 1 61 37 37 ASP CA C 51.075 0.000 1 62 37 37 ASP N N 122.321 0.041 1 63 38 38 PRO C C 179.007 0.000 1 64 38 38 PRO CA C 64.613 0.000 1 65 39 39 LYS H H 8.280 0.033 1 66 39 39 LYS C C 178.166 0.005 1 67 39 39 LYS CA C 58.048 0.019 1 68 39 39 LYS N N 115.226 0.055 1 69 40 40 MET H H 7.908 0.030 1 70 40 40 MET C C 176.603 0.006 1 71 40 40 MET CA C 54.208 0.006 1 72 40 40 MET N N 115.193 0.042 1 73 41 41 GLN H H 7.057 0.033 1 74 41 41 GLN C C 175.894 0.007 1 75 41 41 GLN CA C 55.789 0.006 1 76 41 41 GLN N N 117.552 0.046 1 77 42 42 VAL H H 8.950 0.034 1 78 42 42 VAL C C 175.160 0.019 1 79 42 42 VAL CA C 62.890 0.013 1 80 42 42 VAL N N 124.414 0.061 1 81 43 43 TYR H H 7.385 0.033 1 82 43 43 TYR C C 172.587 0.012 1 83 43 43 TYR CA C 57.343 0.008 1 84 43 43 TYR N N 118.792 0.052 1 85 44 44 LYS H H 7.428 0.039 1 86 44 44 LYS C C 172.901 0.005 1 87 44 44 LYS CA C 56.015 0.006 1 88 44 44 LYS N N 125.868 0.099 1 89 45 45 ASP H H 9.294 0.030 1 90 45 45 ASP C C 175.798 0.011 1 91 45 45 ASP CA C 53.273 0.019 1 92 45 45 ASP N N 122.779 0.100 1 93 46 46 GLU H H 8.916 0.032 1 94 46 46 GLU C C 176.956 0.008 1 95 46 46 GLU CA C 58.789 0.017 1 96 46 46 GLU N N 116.124 0.045 1 97 47 47 GLN H H 9.555 0.026 1 98 47 47 GLN C C 177.296 0.001 1 99 47 47 GLN CA C 58.320 0.026 1 100 47 47 GLN N N 117.358 0.084 1 101 48 48 VAL H H 8.937 0.029 1 102 48 48 VAL C C 171.559 0.000 1 103 48 48 VAL CA C 57.917 0.001 1 104 48 48 VAL N N 114.714 0.060 1 105 49 49 VAL H H 8.563 0.029 1 106 49 49 VAL C C 171.934 0.003 1 107 49 49 VAL CA C 59.063 0.007 1 108 49 49 VAL N N 117.569 0.032 1 109 50 50 VAL H H 8.679 0.033 1 110 50 50 VAL C C 175.664 0.004 1 111 50 50 VAL CA C 59.754 0.021 1 112 50 50 VAL N N 125.122 0.067 1 113 51 51 ILE H H 8.766 0.012 1 114 51 51 ILE C C 175.469 0.000 1 115 51 51 ILE CA C 58.346 0.011 1 116 51 51 ILE N N 119.827 0.025 1 117 52 52 LYS H H 8.834 0.028 1 118 52 52 LYS C C 176.344 0.018 1 119 52 52 LYS CA C 57.076 0.004 1 120 52 52 LYS N N 121.958 0.046 1 121 53 53 ASP H H 7.670 0.035 1 122 53 53 ASP C C 176.633 0.001 1 123 53 53 ASP CA C 55.711 0.010 1 124 53 53 ASP N N 124.008 0.050 1 125 54 54 LYS H H 7.307 0.011 1 126 54 54 LYS C C 175.199 0.012 1 127 54 54 LYS CA C 58.050 0.018 1 128 54 54 LYS N N 126.052 0.060 1 129 55 55 TYR H H 8.908 0.029 1 130 55 55 TYR C C 172.632 0.000 1 131 55 55 TYR CA C 53.623 0.000 1 132 55 55 TYR N N 118.507 0.033 1 133 56 56 PRO C C 178.901 0.000 1 134 56 56 PRO CA C 62.109 0.032 1 135 57 57 LYS H H 11.559 0.002 1 136 57 57 LYS C C 171.192 0.000 1 137 57 57 LYS CA C 54.162 0.030 1 138 57 57 LYS N N 126.354 0.009 1 139 58 58 ALA H H 7.103 0.034 1 140 58 58 ALA C C 175.963 0.008 1 141 58 58 ALA CA C 50.223 0.011 1 142 58 58 ALA N N 114.103 0.042 1 143 59 59 ARG H H 9.744 0.034 1 144 59 59 ARG C C 176.378 0.019 1 145 59 59 ARG CA C 60.055 0.075 1 146 59 59 ARG N N 120.911 0.037 1 147 60 60 TYR H H 7.980 0.034 1 148 60 60 TYR C C 173.004 0.003 1 149 60 60 TYR CA C 56.478 0.008 1 150 60 60 TYR N N 115.279 0.055 1 151 61 61 HIS H H 7.711 0.030 1 152 61 61 HIS C C 174.184 0.010 1 153 61 61 HIS CA C 53.732 0.004 1 154 61 61 HIS N N 122.068 0.035 1 155 62 62 TRP H H 9.663 0.055 1 156 62 62 TRP C C 173.298 0.034 1 157 62 62 TRP CA C 57.643 0.030 1 158 62 62 TRP N N 126.448 0.052 1 159 63 63 LEU H H 9.253 0.027 1 160 63 63 LEU C C 175.957 0.005 1 161 63 63 LEU CA C 52.437 0.041 1 162 63 63 LEU N N 118.942 0.035 1 163 64 64 VAL H H 9.488 0.026 1 164 64 64 VAL C C 175.090 0.004 1 165 64 64 VAL CA C 61.409 0.031 1 166 64 64 VAL N N 122.088 0.038 1 167 65 65 LEU H H 9.245 0.041 1 168 65 65 LEU CA C 52.020 0.047 1 169 65 65 LEU N N 126.807 0.088 1 170 66 66 PRO C C 177.049 0.000 1 171 66 66 PRO CA C 61.219 0.000 1 172 67 67 TRP H H 7.635 0.025 1 173 67 67 TRP C C 178.618 0.011 1 174 67 67 TRP CA C 59.488 0.004 1 175 67 67 TRP N N 120.422 0.029 1 176 68 68 THR H H 8.174 0.005 1 177 68 68 THR C C 172.764 0.004 1 178 68 68 THR CA C 62.416 0.019 1 179 68 68 THR N N 114.990 0.056 1 180 69 69 SER H H 8.241 0.020 1 181 69 69 SER C C 177.051 0.000 1 182 69 69 SER CA C 58.403 0.000 1 183 69 69 SER N N 120.073 0.034 1 184 74 74 LYS C C 175.990 0.000 1 185 74 74 LYS CA C 58.330 0.000 1 186 75 75 ALA H H 7.284 0.038 1 187 75 75 ALA C C 176.896 0.014 1 188 75 75 ALA CA C 51.334 0.010 1 189 75 75 ALA N N 119.859 0.026 1 190 76 76 VAL H H 6.711 0.032 1 191 76 76 VAL C C 174.979 0.017 1 192 76 76 VAL CA C 62.842 0.043 1 193 76 76 VAL N N 118.799 0.045 1 194 77 77 ALA H H 11.405 0.013 1 195 77 77 ALA C C 177.722 0.007 1 196 77 77 ALA CA C 50.446 0.016 1 197 77 77 ALA N N 137.494 0.054 1 198 78 78 ARG H H 8.423 0.012 1 199 78 78 ARG C C 178.998 0.001 1 200 78 78 ARG CA C 60.513 0.049 1 201 78 78 ARG N N 119.907 0.030 1 202 79 79 GLU H H 9.026 0.023 1 203 79 79 GLU C C 176.832 0.010 1 204 79 79 GLU CA C 58.391 0.005 1 205 79 79 GLU N N 117.232 0.032 1 206 80 80 HIS H H 8.078 0.022 1 207 80 80 HIS C C 175.391 0.004 1 208 80 80 HIS CA C 57.678 0.005 1 209 80 80 HIS N N 119.320 0.047 1 210 81 81 LEU H H 7.862 0.029 1 211 81 81 LEU C C 177.590 0.005 1 212 81 81 LEU CA C 59.492 0.004 1 213 81 81 LEU N N 121.432 0.027 1 214 82 82 GLU H H 8.539 0.036 1 215 82 82 GLU C C 179.482 0.001 1 216 82 82 GLU CA C 59.966 0.002 1 217 82 82 GLU N N 116.212 0.045 1 218 83 83 LEU H H 8.052 0.032 1 219 83 83 LEU C C 178.254 0.024 1 220 83 83 LEU CA C 58.106 0.013 1 221 83 83 LEU N N 124.172 0.043 1 222 84 84 LEU H H 8.531 0.021 1 223 84 84 LEU C C 181.983 0.019 1 224 84 84 LEU CA C 58.491 0.021 1 225 84 84 LEU N N 119.890 0.027 1 226 85 85 LYS H H 8.384 0.004 1 227 85 85 LYS C C 178.703 0.004 1 228 85 85 LYS CA C 60.300 0.022 1 229 85 85 LYS N N 119.958 0.063 1 230 86 86 HIS H H 8.489 0.003 1 231 86 86 HIS C C 177.296 0.011 1 232 86 86 HIS CA C 60.199 0.001 1 233 86 86 HIS N N 122.718 0.056 1 234 87 87 MET H H 9.070 0.028 1 235 87 87 MET C C 176.385 0.078 1 236 87 87 MET CA C 60.658 0.015 1 237 87 87 MET N N 117.510 0.034 1 238 88 88 HIS H H 7.481 0.021 1 239 88 88 HIS C C 176.278 0.028 1 240 88 88 HIS CA C 60.666 0.000 1 241 88 88 HIS N N 117.722 0.043 1 242 89 89 THR H H 8.182 0.002 1 243 89 89 THR C C 177.446 0.013 1 244 89 89 THR CA C 66.487 0.050 1 245 89 89 THR N N 114.961 0.048 1 246 90 90 VAL H H 8.456 0.026 1 247 90 90 VAL C C 177.177 0.011 1 248 90 90 VAL CA C 66.539 0.000 1 249 90 90 VAL N N 123.237 0.045 1 250 91 91 GLY H H 8.148 0.037 1 251 91 91 GLY C C 173.750 0.000 1 252 91 91 GLY CA C 48.003 0.014 1 253 91 91 GLY N N 108.323 0.094 1 254 92 92 GLU H H 7.835 0.020 1 255 92 92 GLU C C 178.857 0.016 1 256 92 92 GLU CA C 59.751 0.009 1 257 92 92 GLU N N 117.138 0.056 1 258 93 93 LYS H H 7.662 0.026 1 259 93 93 LYS C C 177.476 0.001 1 260 93 93 LYS CA C 58.760 0.028 1 261 93 93 LYS N N 121.879 0.034 1 262 94 94 VAL H H 7.953 0.025 1 263 94 94 VAL C C 177.155 0.004 1 264 94 94 VAL CA C 65.991 0.012 1 265 94 94 VAL N N 118.547 0.047 1 266 95 95 ILE H H 6.863 0.037 1 267 95 95 ILE C C 178.032 0.013 1 268 95 95 ILE CA C 65.854 0.005 1 269 95 95 ILE N N 118.549 0.041 1 270 96 96 VAL H H 6.919 0.029 1 271 96 96 VAL C C 178.517 0.031 1 272 96 96 VAL CA C 66.120 0.006 1 273 96 96 VAL N N 117.827 0.033 1 274 97 97 ASP H H 8.379 0.032 1 275 97 97 ASP C C 178.596 0.000 1 276 97 97 ASP CA C 56.783 0.005 1 277 97 97 ASP N N 119.137 0.043 1 278 98 98 PHE H H 8.195 0.031 1 279 98 98 PHE C C 176.323 0.019 1 280 98 98 PHE CA C 59.050 0.038 1 281 98 98 PHE N N 114.491 0.043 1 282 99 99 ALA H H 8.284 0.019 1 283 99 99 ALA C C 179.294 0.012 1 284 99 99 ALA CA C 51.877 0.151 1 285 99 99 ALA N N 123.328 0.041 1 286 100 100 GLY H H 7.943 0.034 1 287 100 100 GLY C C 175.278 0.000 1 288 100 100 GLY CA C 47.585 0.012 1 289 100 100 GLY N N 109.599 0.055 1 290 103 103 LYS C C 176.045 0.000 1 291 103 103 LYS CA C 56.709 0.000 1 292 104 104 LEU H H 7.718 0.030 1 293 104 104 LEU C C 176.107 0.002 1 294 104 104 LEU CA C 54.319 0.012 1 295 104 104 LEU N N 120.447 0.029 1 296 105 105 ARG H H 8.077 0.008 1 297 105 105 ARG C C 174.533 0.002 1 298 105 105 ARG CA C 55.077 0.009 1 299 105 105 ARG N N 120.221 0.031 1 300 106 106 PHE H H 8.691 0.019 1 301 106 106 PHE C C 176.762 0.010 1 302 106 106 PHE CA C 57.340 0.005 1 303 106 106 PHE N N 119.552 0.032 1 304 107 107 ARG H H 8.425 0.032 1 305 107 107 ARG C C 173.650 0.040 1 306 107 107 ARG CA C 56.047 0.009 1 307 107 107 ARG N N 116.526 0.040 1 308 108 108 LEU H H 9.021 0.037 1 309 108 108 LEU C C 176.820 0.019 1 310 108 108 LEU CA C 54.260 0.063 1 311 108 108 LEU N N 121.814 0.055 1 312 109 109 GLY H H 8.967 0.041 1 313 109 109 GLY C C 169.415 0.003 1 314 109 109 GLY CA C 46.803 0.008 1 315 109 109 GLY N N 111.116 0.074 1 316 110 110 TYR H H 8.748 0.031 1 317 110 110 TYR C C 175.858 0.004 1 318 110 110 TYR CA C 56.650 0.024 1 319 110 110 TYR N N 116.417 0.045 1 320 111 111 HIS H H 8.550 0.025 1 321 111 111 HIS C C 177.010 0.004 1 322 111 111 HIS CA C 55.135 0.020 1 323 111 111 HIS N N 119.497 0.030 1 324 112 112 ALA H H 8.470 0.010 1 325 112 112 ALA C C 176.427 0.000 1 326 112 112 ALA CA C 54.315 0.014 1 327 112 112 ALA N N 122.672 0.042 1 328 113 113 ILE H H 6.088 0.004 1 329 113 113 ILE CA C 56.846 0.000 1 330 113 113 ILE N N 113.109 0.022 1 331 114 114 PRO C C 176.046 0.000 1 332 114 114 PRO CA C 64.319 0.000 1 333 115 115 SER H H 6.784 0.034 1 334 115 115 SER C C 173.157 0.000 1 335 115 115 SER CA C 56.202 0.000 1 336 115 115 SER N N 109.068 0.067 1 337 120 120 HIS C C 170.647 0.000 1 338 120 120 HIS CA C 54.344 0.000 1 339 121 121 LEU H H 8.446 0.035 1 340 121 121 LEU C C 175.864 0.000 1 341 121 121 LEU CA C 53.837 0.038 1 342 121 121 LEU N N 124.252 0.019 1 343 122 122 HIS H H 9.472 0.035 1 344 122 122 HIS C C 175.473 0.009 1 345 122 122 HIS CA C 57.219 0.027 1 346 122 122 HIS N N 125.368 0.049 1 347 123 123 VAL H H 9.351 0.029 1 348 123 123 VAL C C 174.967 0.009 1 349 123 123 VAL CA C 62.114 0.157 1 350 123 123 VAL N N 123.474 0.044 1 351 124 124 ILE H H 8.943 0.040 1 352 124 124 ILE C C 174.495 0.000 1 353 124 124 ILE CA C 58.351 0.018 1 354 124 124 ILE N N 123.254 0.099 1 355 125 125 SER H H 8.747 0.035 1 356 125 125 SER C C 173.920 0.000 1 357 125 125 SER CA C 58.574 0.019 1 358 125 125 SER N N 128.539 0.030 1 359 126 126 GLN H H 7.475 0.025 1 360 126 126 GLN C C 175.572 0.011 1 361 126 126 GLN CA C 55.146 0.023 1 362 126 126 GLN N N 110.707 0.067 1 363 127 127 ASP H H 9.167 0.023 1 364 127 127 ASP C C 175.261 0.027 1 365 127 127 ASP CA C 54.686 0.006 1 366 127 127 ASP N N 117.010 0.052 1 367 128 128 PHE H H 5.906 0.005 1 368 128 128 PHE C C 173.006 0.004 1 369 128 128 PHE CA C 60.554 0.038 1 370 128 128 PHE N N 106.884 0.074 1 371 129 129 ASP H H 9.054 0.028 1 372 129 129 ASP C C 175.111 0.001 1 373 129 129 ASP CA C 52.035 0.020 1 374 129 129 ASP N N 117.657 0.040 1 375 130 130 SER H H 7.283 0.004 1 376 130 130 SER C C 174.569 0.000 1 377 130 130 SER CA C 52.965 0.000 1 378 130 130 SER N N 112.691 0.046 1 379 131 131 PRO C C 176.838 0.000 1 380 131 131 PRO CA C 63.352 0.000 1 381 132 132 CYS H H 8.090 0.034 1 382 132 132 CYS C C 174.472 0.005 1 383 132 132 CYS CA C 54.659 0.006 1 384 132 132 CYS N N 113.381 0.074 1 385 133 133 LEU H H 7.190 0.038 1 386 133 133 LEU C C 174.980 0.004 1 387 133 133 LEU CA C 55.810 0.016 1 388 133 133 LEU N N 122.423 0.052 1 389 134 134 LYS H H 10.286 0.002 1 390 134 134 LYS C C 176.070 0.003 1 391 134 134 LYS CA C 57.013 0.007 1 392 134 134 LYS N N 127.198 0.028 1 393 135 135 ASN H H 8.087 0.038 1 394 135 135 ASN C C 174.746 0.000 1 395 135 135 ASN CA C 51.874 0.000 1 396 135 135 ASN N N 116.753 0.055 1 397 136 136 LYS C C 176.924 0.000 1 398 136 136 LYS CA C 59.899 0.000 1 399 137 137 LYS H H 8.026 0.026 1 400 137 137 LYS C C 179.208 0.011 1 401 137 137 LYS CA C 60.359 0.002 1 402 137 137 LYS N N 120.827 0.044 1 403 138 138 HIS H H 8.077 0.024 1 404 138 138 HIS C C 178.232 0.016 1 405 138 138 HIS CA C 57.953 0.011 1 406 138 138 HIS N N 118.731 0.080 1 407 139 139 TRP H H 7.634 0.034 1 408 139 139 TRP C C 179.072 0.003 1 409 139 139 TRP CA C 60.409 0.023 1 410 139 139 TRP N N 115.747 0.050 1 411 140 140 ASN H H 9.120 0.033 1 412 140 140 ASN C C 177.074 0.005 1 413 140 140 ASN CA C 54.908 0.017 1 414 140 140 ASN N N 116.308 0.048 1 415 141 141 SER H H 7.982 0.030 1 416 141 141 SER C C 171.835 0.000 1 417 141 141 SER CA C 60.668 0.000 1 418 141 141 SER N N 117.208 0.050 1 419 142 142 PHE H H 6.469 0.031 1 420 142 142 PHE C C 175.049 0.000 1 421 142 142 PHE CA C 59.003 0.005 1 422 142 142 PHE N N 112.617 0.060 1 423 143 143 ASN H H 6.770 0.029 1 424 143 143 ASN C C 173.884 0.005 1 425 143 143 ASN CA C 54.496 0.072 1 426 143 143 ASN N N 114.052 0.065 1 427 144 144 THR H H 7.140 0.031 1 428 144 144 THR C C 176.086 0.014 1 429 144 144 THR CA C 60.951 0.009 1 430 144 144 THR N N 107.863 0.054 1 431 145 145 GLU H H 9.260 0.036 1 432 145 145 GLU C C 173.300 0.013 1 433 145 145 GLU CA C 58.577 0.009 1 434 145 145 GLU N N 119.901 0.070 1 435 146 146 TYR H H 7.811 0.036 1 436 146 146 TYR C C 173.268 0.000 1 437 146 146 TYR CA C 60.130 0.002 1 438 146 146 TYR N N 119.635 0.053 1 439 147 147 PHE H H 7.843 0.003 1 440 147 147 PHE C C 173.878 0.006 1 441 147 147 PHE CA C 56.398 0.011 1 442 147 147 PHE N N 117.490 0.024 1 443 148 148 LEU H H 9.061 0.035 1 444 148 148 LEU C C 176.331 0.023 1 445 148 148 LEU CA C 53.846 0.028 1 446 148 148 LEU N N 128.977 0.049 1 447 149 149 GLU H H 8.799 0.027 1 448 149 149 GLU C C 177.460 0.010 1 449 149 149 GLU CA C 57.665 0.016 1 450 149 149 GLU N N 123.426 0.062 1 451 150 150 SER H H 9.101 0.024 1 452 150 150 SER C C 177.487 0.000 1 453 150 150 SER CA C 61.754 0.021 1 454 150 150 SER N N 120.136 0.035 1 455 151 151 GLN H H 9.164 0.038 1 456 151 151 GLN C C 177.615 0.009 1 457 151 151 GLN CA C 58.876 0.010 1 458 151 151 GLN N N 114.236 0.047 1 459 152 152 ALA H H 6.919 0.037 1 460 152 152 ALA C C 180.386 0.002 1 461 152 152 ALA CA C 54.739 0.004 1 462 152 152 ALA N N 120.207 0.034 1 463 153 153 VAL H H 8.076 0.025 1 464 153 153 VAL C C 177.151 0.010 1 465 153 153 VAL CA C 67.543 0.019 1 466 153 153 VAL N N 121.575 0.035 1 467 154 154 ILE H H 8.381 0.001 1 468 154 154 ILE C C 177.376 0.000 1 469 154 154 ILE CA C 66.611 0.095 1 470 154 154 ILE N N 119.884 0.065 1 471 155 155 GLU H H 7.931 0.005 1 472 155 155 GLU C C 179.066 0.001 1 473 155 155 GLU CA C 59.733 0.003 1 474 155 155 GLU N N 117.703 0.039 1 475 156 156 MET H H 8.142 0.025 1 476 156 156 MET C C 178.153 0.001 1 477 156 156 MET CA C 59.986 0.017 1 478 156 156 MET N N 119.302 0.035 1 479 157 157 VAL H H 8.045 0.018 1 480 157 157 VAL C C 178.358 0.001 1 481 157 157 VAL CA C 66.846 0.003 1 482 157 157 VAL N N 119.036 0.030 1 483 158 158 GLN H H 8.713 0.018 1 484 158 158 GLN C C 178.020 0.006 1 485 158 158 GLN CA C 59.657 0.025 1 486 158 158 GLN N N 119.745 0.075 1 487 159 159 GLU H H 8.300 0.025 1 488 159 159 GLU C C 177.629 0.007 1 489 159 159 GLU CA C 58.507 0.015 1 490 159 159 GLU N N 117.220 0.068 1 491 160 160 ALA H H 8.588 0.004 1 492 160 160 ALA C C 178.738 0.007 1 493 160 160 ALA CA C 52.184 0.141 1 494 160 160 ALA N N 119.810 0.030 1 495 161 161 GLY H H 8.235 0.035 1 496 161 161 GLY C C 171.660 0.021 1 497 161 161 GLY CA C 46.075 0.121 1 498 161 161 GLY N N 108.692 0.069 1 499 162 162 ARG H H 7.194 0.006 1 500 162 162 ARG C C 173.286 0.006 1 501 162 162 ARG CA C 53.966 0.078 1 502 162 162 ARG N N 112.502 0.011 1 503 163 163 VAL H H 9.603 0.029 1 504 163 163 VAL C C 175.510 0.012 1 505 163 163 VAL CA C 61.959 0.032 1 506 163 163 VAL N N 122.479 0.025 1 507 164 164 THR H H 7.815 0.031 1 508 164 164 THR C C 172.797 0.011 1 509 164 164 THR CA C 62.595 0.022 1 510 164 164 THR N N 125.315 0.083 1 511 165 165 VAL H H 8.306 0.034 1 512 165 165 VAL C C 175.724 0.006 1 513 165 165 VAL CA C 60.930 0.010 1 514 165 165 VAL N N 127.141 0.088 1 515 166 166 ARG H H 8.557 0.034 1 516 166 166 ARG C C 175.481 0.004 1 517 166 166 ARG CA C 56.396 0.028 1 518 166 166 ARG N N 127.408 0.059 1 519 167 167 ASP H H 8.310 0.003 1 520 167 167 ASP C C 177.088 0.000 1 521 167 167 ASP CA C 55.076 0.001 1 522 167 167 ASP N N 119.958 0.025 1 523 170 170 PRO C C 179.359 0.000 1 524 170 170 PRO CA C 66.174 0.000 1 525 171 171 GLU H H 7.759 0.032 1 526 171 171 GLU C C 179.896 0.002 1 527 171 171 GLU CA C 58.514 0.010 1 528 171 171 GLU N N 115.391 0.065 1 529 172 172 LEU H H 7.970 0.018 1 530 172 172 LEU C C 178.293 0.001 1 531 172 172 LEU CA C 56.976 0.010 1 532 172 172 LEU N N 120.526 0.039 1 533 173 173 LEU H H 7.042 0.023 1 534 173 173 LEU C C 178.750 0.000 1 535 173 173 LEU CA C 56.002 0.003 1 536 173 173 LEU N N 111.298 0.082 1 537 174 174 LYS H H 7.331 0.023 1 538 174 174 LYS C C 176.314 0.009 1 539 174 174 LYS CA C 55.814 0.013 1 540 174 174 LYS N N 117.565 0.087 1 541 175 175 LEU H H 6.964 0.036 1 542 175 175 LEU C C 174.408 0.000 1 543 175 175 LEU CA C 54.713 0.000 1 544 175 175 LEU N N 122.713 0.042 1 545 176 176 PRO C C 176.925 0.000 1 546 176 176 PRO CA C 62.809 0.000 1 547 177 177 LEU H H 8.475 0.027 1 548 177 177 LEU C C 174.935 0.011 1 549 177 177 LEU CA C 55.433 0.003 1 550 177 177 LEU N N 122.322 0.028 1 551 178 178 ARG H H 7.593 0.019 1 552 178 178 ARG C C 175.549 0.018 1 553 178 178 ARG CA C 53.752 0.005 1 554 178 178 ARG N N 121.964 0.031 1 555 179 179 CYS H H 8.571 0.040 1 556 179 179 CYS C C 176.641 0.000 1 557 179 179 CYS CA C 61.409 0.000 1 558 179 179 CYS N N 126.644 0.040 1 559 180 180 HIS C C 176.498 0.000 1 560 180 180 HIS CA C 58.581 0.023 1 561 181 181 GLU H H 9.159 0.037 1 562 181 181 GLU C C 177.874 0.021 1 563 181 181 GLU CA C 57.497 0.026 1 564 181 181 GLU N N 125.564 0.068 1 565 182 182 CYS H H 8.268 0.030 1 566 182 182 CYS C C 175.510 0.009 1 567 182 182 CYS CA C 58.552 0.038 1 568 182 182 CYS N N 117.154 0.052 1 569 183 183 GLN H H 7.474 0.035 1 570 183 183 GLN C C 174.311 0.006 1 571 183 183 GLN CA C 58.520 0.004 1 572 183 183 GLN N N 114.911 0.045 1 573 184 184 GLN H H 7.851 0.032 1 574 184 184 GLN C C 174.975 0.002 1 575 184 184 GLN CA C 57.390 0.015 1 576 184 184 GLN N N 121.540 0.045 1 577 185 185 LEU H H 8.306 0.026 1 578 185 185 LEU C C 177.225 0.004 1 579 185 185 LEU CA C 54.873 0.004 1 580 185 185 LEU N N 125.310 0.043 1 581 186 186 LEU H H 8.365 0.034 1 582 186 186 LEU C C 176.322 0.000 1 583 186 186 LEU CA C 49.433 0.000 1 584 186 186 LEU N N 126.616 0.044 1 585 190 190 PRO C C 179.937 0.000 1 586 190 190 PRO CA C 66.609 0.000 1 587 191 191 GLN H H 7.149 0.034 1 588 191 191 GLN C C 178.694 0.006 1 589 191 191 GLN CA C 58.950 0.002 1 590 191 191 GLN N N 114.010 0.044 1 591 192 192 LEU H H 8.306 0.036 1 592 192 192 LEU C C 177.268 0.013 1 593 192 192 LEU CA C 58.781 0.011 1 594 192 192 LEU N N 124.556 0.037 1 595 193 193 LYS H H 8.651 0.034 1 596 193 193 LYS C C 179.131 0.003 1 597 193 193 LYS CA C 60.750 0.004 1 598 193 193 LYS N N 118.384 0.035 1 599 194 194 GLU H H 7.373 0.034 1 600 194 194 GLU C C 178.208 0.002 1 601 194 194 GLU CA C 58.937 0.001 1 602 194 194 GLU N N 117.350 0.038 1 603 195 195 HIS H H 7.948 0.031 1 604 195 195 HIS C C 176.653 0.007 1 605 195 195 HIS CA C 59.935 0.010 1 606 195 195 HIS N N 119.857 0.051 1 607 196 196 LEU H H 8.614 0.036 1 608 196 196 LEU C C 177.952 0.002 1 609 196 196 LEU CA C 58.069 0.021 1 610 196 196 LEU N N 117.666 0.050 1 611 197 197 ARG H H 6.686 0.033 1 612 197 197 ARG C C 178.747 0.001 1 613 197 197 ARG CA C 58.171 0.011 1 614 197 197 ARG N N 114.350 0.042 1 615 198 198 LYS H H 7.350 0.037 1 616 198 198 LYS C C 177.943 0.002 1 617 198 198 LYS CA C 57.889 0.116 1 618 198 198 LYS N N 116.698 0.053 1 619 199 199 HIS H H 7.392 0.031 1 620 199 199 HIS C C 175.694 0.001 1 621 199 199 HIS CA C 55.699 0.018 1 622 199 199 HIS N N 114.918 0.059 1 623 200 200 TRP H H 7.364 0.039 1 624 200 200 TRP C C 176.661 0.004 1 625 200 200 TRP CA C 55.948 0.078 1 626 200 200 TRP N N 119.976 0.092 1 627 201 201 THR H H 8.007 0.032 1 628 201 201 THR C C 173.677 0.003 1 629 201 201 THR CA C 61.816 0.011 1 630 201 201 THR N N 114.159 0.045 1 631 202 202 GLN H H 7.956 0.032 1 632 202 202 GLN C C 180.511 0.000 1 633 202 202 GLN CA C 57.601 0.038 1 634 202 202 GLN N N 127.437 0.044 1 stop_ save_