data_50389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignments of the Rec3 domain of CRISPR-Cas9 for S. pyogenes ; _BMRB_accession_number 50389 _BMRB_flat_file_name bmr50389.str _Entry_type original _Submission_date 2020-07-13 _Accession_date 2020-07-13 _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 Skeens Erin . . 2 East Kyle W. . 3 Lisi George P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 200 "13C chemical shifts" 583 "15N chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-17 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27949 'HNH from SpyCas9' stop_ _Original_release_date 2020-07-13 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N backbone resonance assignment of the recognition lobe subdomain 3 (Rec3) from Streptococcus pyogenes CRISPR-Cas9 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32935194 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Skeens Erin . . 2 East Kyle W. . 3 Lisi George P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name spyRec3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label spyRec3 $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 218 _Mol_residue_sequence ; SNFDKNLPNEKVLPKHSLLY EYFTVYNELTKVKYVTEGMR KPAFLSGEQKKAIVDLLFKT NRKVTVKQLKEDYFKKIECF DSVEISGVEDRFNASLGTYH DLLKIIKDKDFLDNEENEDI LEDIVLTLTLFEDREMIEER LKTYAHLFDDKVMKQLKRRR YTGWGRLSRKLINGIRDKQS GKTILDFLKSDGFANRNFMQ LIHDDSLTFKEDIQKAQV ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 PHE 4 ASP 5 LYS 6 ASN 7 LEU 8 PRO 9 ASN 10 GLU 11 LYS 12 VAL 13 LEU 14 PRO 15 LYS 16 HIS 17 SER 18 LEU 19 LEU 20 TYR 21 GLU 22 TYR 23 PHE 24 THR 25 VAL 26 TYR 27 ASN 28 GLU 29 LEU 30 THR 31 LYS 32 VAL 33 LYS 34 TYR 35 VAL 36 THR 37 GLU 38 GLY 39 MET 40 ARG 41 LYS 42 PRO 43 ALA 44 PHE 45 LEU 46 SER 47 GLY 48 GLU 49 GLN 50 LYS 51 LYS 52 ALA 53 ILE 54 VAL 55 ASP 56 LEU 57 LEU 58 PHE 59 LYS 60 THR 61 ASN 62 ARG 63 LYS 64 VAL 65 THR 66 VAL 67 LYS 68 GLN 69 LEU 70 LYS 71 GLU 72 ASP 73 TYR 74 PHE 75 LYS 76 LYS 77 ILE 78 GLU 79 CYS 80 PHE 81 ASP 82 SER 83 VAL 84 GLU 85 ILE 86 SER 87 GLY 88 VAL 89 GLU 90 ASP 91 ARG 92 PHE 93 ASN 94 ALA 95 SER 96 LEU 97 GLY 98 THR 99 TYR 100 HIS 101 ASP 102 LEU 103 LEU 104 LYS 105 ILE 106 ILE 107 LYS 108 ASP 109 LYS 110 ASP 111 PHE 112 LEU 113 ASP 114 ASN 115 GLU 116 GLU 117 ASN 118 GLU 119 ASP 120 ILE 121 LEU 122 GLU 123 ASP 124 ILE 125 VAL 126 LEU 127 THR 128 LEU 129 THR 130 LEU 131 PHE 132 GLU 133 ASP 134 ARG 135 GLU 136 MET 137 ILE 138 GLU 139 GLU 140 ARG 141 LEU 142 LYS 143 THR 144 TYR 145 ALA 146 HIS 147 LEU 148 PHE 149 ASP 150 ASP 151 LYS 152 VAL 153 MET 154 LYS 155 GLN 156 LEU 157 LYS 158 ARG 159 ARG 160 ARG 161 TYR 162 THR 163 GLY 164 TRP 165 GLY 166 ARG 167 LEU 168 SER 169 ARG 170 LYS 171 LEU 172 ILE 173 ASN 174 GLY 175 ILE 176 ARG 177 ASP 178 LYS 179 GLN 180 SER 181 GLY 182 LYS 183 THR 184 ILE 185 LEU 186 ASP 187 PHE 188 LEU 189 LYS 190 SER 191 ASP 192 GLY 193 PHE 194 ALA 195 ASN 196 ARG 197 ASN 198 PHE 199 MET 200 GLN 201 LEU 202 ILE 203 HIS 204 ASP 205 ASP 206 SER 207 LEU 208 THR 209 PHE 210 LYS 211 GLU 212 ASP 213 ILE 214 GLN 215 LYS 216 ALA 217 GLN 218 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Streptococcus pyogenes' 1314 Bacteria . Streptococcus pyogenes stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28a 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 $entity_1 1.2 mM '[U-13C; U-15N; U-2H]' 'potassium chloride' 80 mM 'natural abundance' HEPES 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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' 80 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name spyRec3 _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 ASN H H 8.898 0.020 1 2 2 2 ASN CA C 52.032 0.3 1 3 2 2 ASN N N 130.100 0.3 1 4 3 3 PHE H H 8.118 0.020 1 5 3 3 PHE C C 175.375 0.3 1 6 3 3 PHE CA C 56.800 0.3 1 7 3 3 PHE CB C 40.453 0.3 1 8 3 3 PHE N N 119.608 0.3 1 9 4 4 ASP H H 8.455 0.020 1 10 4 4 ASP C C 176.747 0.3 1 11 4 4 ASP CA C 53.303 0.3 1 12 4 4 ASP CB C 42.160 0.3 1 13 4 4 ASP N N 125.350 0.3 1 14 5 5 LYS H H 8.776 0.020 1 15 5 5 LYS C C 178.562 0.3 1 16 5 5 LYS CA C 58.167 0.3 1 17 5 5 LYS CB C 31.414 0.3 1 18 5 5 LYS N N 127.113 0.3 1 19 6 6 ASN H H 9.229 0.020 1 20 6 6 ASN C C 173.628 0.3 1 21 6 6 ASN CA C 54.918 0.3 1 22 6 6 ASN CB C 39.482 0.3 1 23 6 6 ASN N N 115.643 0.3 1 24 9 9 ASN H H 8.328 0.020 1 25 9 9 ASN C C 175.579 0.3 1 26 9 9 ASN CA C 52.946 0.3 1 27 9 9 ASN CB C 37.925 0.3 1 28 9 9 ASN N N 114.960 0.3 1 29 10 10 GLU H H 8.944 0.020 1 30 10 10 GLU C C 175.532 0.3 1 31 10 10 GLU CA C 54.019 0.3 1 32 10 10 GLU CB C 30.056 0.3 1 33 10 10 GLU N N 120.839 0.3 1 34 11 11 LYS H H 8.543 0.020 1 35 11 11 LYS C C 177.528 0.3 1 36 11 11 LYS CA C 54.949 0.3 1 37 11 11 LYS CB C 31.505 0.3 1 38 11 11 LYS N N 123.436 0.3 1 39 12 12 VAL H H 7.381 0.020 1 40 12 12 VAL C C 176.097 0.3 1 41 12 12 VAL CA C 60.914 0.3 1 42 12 12 VAL CB C 31.836 0.3 1 43 12 12 VAL N N 113.866 0.3 1 44 13 13 LEU H H 7.636 0.020 1 45 13 13 LEU C C 175.046 0.3 1 46 13 13 LEU CA C 52.972 0.3 1 47 13 13 LEU CB C 41.566 0.3 1 48 13 13 LEU N N 121.095 0.3 1 49 15 15 LYS H H 8.165 0.020 1 50 15 15 LYS C C 175.688 0.3 1 51 15 15 LYS CA C 57.666 0.3 1 52 15 15 LYS CB C 30.647 0.3 1 53 15 15 LYS N N 125.897 0.3 1 54 16 16 HIS H H 7.178 0.020 1 55 16 16 HIS C C 173.341 0.3 1 56 16 16 HIS CA C 53.831 0.3 1 57 16 16 HIS CB C 26.152 0.3 1 58 16 16 HIS N N 110.448 0.3 1 59 17 17 SER H H 6.937 0.020 1 60 17 17 SER C C 174.866 0.3 1 61 17 17 SER CA C 58.411 0.3 1 62 17 17 SER CB C 62.236 0.3 1 63 17 17 SER N N 115.917 0.3 1 64 18 18 LEU H H 7.970 0.020 1 65 18 18 LEU C C 179.362 0.3 1 66 18 18 LEU CA C 58.617 0.3 1 67 18 18 LEU CB C 40.236 0.3 1 68 18 18 LEU N N 130.272 0.3 1 69 19 19 LEU H H 9.038 0.020 1 70 19 19 LEU C C 178.525 0.3 1 71 19 19 LEU CA C 57.992 0.3 1 72 19 19 LEU CB C 40.292 0.3 1 73 19 19 LEU N N 123.710 0.3 1 74 20 20 TYR H H 8.221 0.020 1 75 20 20 TYR C C 178.196 0.3 1 76 20 20 TYR CA C 61.048 0.3 1 77 20 20 TYR CB C 38.312 0.3 1 78 20 20 TYR N N 119.950 0.3 1 79 21 21 GLU H H 8.422 0.020 1 80 21 21 GLU C C 179.800 0.3 1 81 21 21 GLU CA C 60.295 0.3 1 82 21 21 GLU CB C 27.528 0.3 1 83 21 21 GLU N N 120.224 0.3 1 84 22 22 TYR H H 8.952 0.020 1 85 22 22 TYR C C 178.017 0.3 1 86 22 22 TYR CA C 62.020 0.3 1 87 22 22 TYR CB C 37.059 0.3 1 88 22 22 TYR N N 122.150 0.3 1 89 23 23 PHE H H 8.519 0.020 1 90 23 23 PHE C C 175.609 0.3 1 91 23 23 PHE CA C 61.033 0.3 1 92 23 23 PHE CB C 37.074 0.3 1 93 23 23 PHE N N 120.211 0.3 1 94 24 24 THR H H 8.091 0.020 1 95 24 24 THR CA C 65.885 0.3 1 96 24 24 THR CB C 68.075 0.3 1 97 24 24 THR N N 114.686 0.3 1 98 25 25 VAL H H 7.786 0.020 1 99 25 25 VAL C C 177.180 0.3 1 100 25 25 VAL CA C 65.794 0.3 1 101 25 25 VAL CB C 30.458 0.3 1 102 25 25 VAL N N 123.573 0.3 1 103 26 26 TYR H H 8.431 0.020 1 104 26 26 TYR C C 177.860 0.3 1 105 26 26 TYR CA C 64.151 0.3 1 106 26 26 TYR CB C 36.772 0.3 1 107 26 26 TYR N N 117.781 0.3 1 108 27 27 ASN H H 8.333 0.020 1 109 27 27 ASN C C 176.829 0.3 1 110 27 27 ASN CA C 56.416 0.3 1 111 27 27 ASN CB C 37.589 0.3 1 112 27 27 ASN N N 116.473 0.3 1 113 28 28 GLU H H 7.255 0.020 1 114 28 28 GLU C C 179.602 0.3 1 115 28 28 GLU CA C 58.861 0.3 1 116 28 28 GLU CB C 29.451 0.3 1 117 28 28 GLU N N 120.163 0.3 1 118 29 29 LEU H H 8.568 0.020 1 119 29 29 LEU C C 179.442 0.3 1 120 29 29 LEU CA C 56.634 0.3 1 121 29 29 LEU CB C 42.285 0.3 1 122 29 29 LEU N N 118.208 0.3 1 123 30 30 THR H H 7.917 0.020 1 124 30 30 THR C C 173.351 0.3 1 125 30 30 THR CA C 64.337 0.3 1 126 30 30 THR CB C 68.468 0.3 1 127 30 30 THR N N 111.542 0.3 1 128 31 31 LYS H H 6.785 0.020 1 129 31 31 LYS C C 176.351 0.3 1 130 31 31 LYS CA C 53.945 0.3 1 131 31 31 LYS CB C 31.394 0.3 1 132 31 31 LYS N N 115.233 0.3 1 133 32 32 VAL H H 7.342 0.020 1 134 32 32 VAL C C 175.369 0.3 1 135 32 32 VAL CA C 63.364 0.3 1 136 32 32 VAL CB C 30.969 0.3 1 137 32 32 VAL N N 120.429 0.3 1 138 33 33 LYS H H 8.269 0.020 1 139 33 33 LYS C C 174.878 0.3 1 140 33 33 LYS CA C 53.901 0.3 1 141 33 33 LYS CB C 35.624 0.3 1 142 33 33 LYS N N 124.257 0.3 1 143 34 34 TYR H H 8.893 0.020 1 144 34 34 TYR C C 172.337 0.3 1 145 34 34 TYR CA C 54.221 0.3 1 146 34 34 TYR CB C 42.341 0.3 1 147 34 34 TYR N N 117.694 0.3 1 148 35 35 VAL H H 8.111 0.020 1 149 35 35 VAL C C 172.691 0.3 1 150 35 35 VAL CA C 60.328 0.3 1 151 35 35 VAL CB C 35.348 0.3 1 152 35 35 VAL N N 117.831 0.3 1 153 36 36 THR H H 7.356 0.020 1 154 36 36 THR C C 173.922 0.3 1 155 36 36 THR CA C 59.119 0.3 1 156 36 36 THR CB C 70.381 0.3 1 157 36 36 THR N N 121.860 0.3 1 158 37 37 GLU H H 8.396 0.020 1 159 37 37 GLU C C 177.176 0.3 1 160 37 37 GLU CA C 57.881 0.3 1 161 37 37 GLU CB C 28.431 0.3 1 162 37 37 GLU N N 122.616 0.3 1 163 43 43 ALA H H 8.341 0.020 1 164 43 43 ALA C C 176.345 0.3 1 165 43 43 ALA CA C 49.451 0.3 1 166 43 43 ALA CB C 21.801 0.3 1 167 43 43 ALA N N 125.350 0.3 1 168 44 44 PHE H H 7.915 0.020 1 169 44 44 PHE C C 177.391 0.3 1 170 44 44 PHE CA C 57.022 0.3 1 171 44 44 PHE CB C 39.700 0.3 1 172 44 44 PHE N N 116.874 0.3 1 173 45 45 LEU H H 8.601 0.020 1 174 45 45 LEU C C 178.014 0.3 1 175 45 45 LEU CA C 54.270 0.3 1 176 45 45 LEU CB C 42.356 0.3 1 177 45 45 LEU N N 118.623 0.3 1 178 46 46 SER H H 9.836 0.020 1 179 46 46 SER C C 176.128 0.3 1 180 46 46 SER CA C 56.329 0.3 1 181 46 46 SER CB C 65.592 0.3 1 182 46 46 SER N N 120.429 0.3 1 183 47 47 GLY H H 8.922 0.020 1 184 47 47 GLY CA C 47.444 0.3 1 185 47 47 GLY N N 109.218 0.3 1 186 48 48 GLU H H 8.711 0.020 1 187 48 48 GLU C C 179.758 0.3 1 188 48 48 GLU CA C 59.694 0.3 1 189 48 48 GLU CB C 28.216 0.3 1 190 48 48 GLU N N 123.026 0.3 1 191 49 49 GLN H H 7.811 0.020 1 192 49 49 GLN C C 177.927 0.3 1 193 49 49 GLN CA C 58.450 0.3 1 194 49 49 GLN CB C 28.858 0.3 1 195 49 49 GLN N N 120.155 0.3 1 196 50 50 LYS H H 8.651 0.020 1 197 50 50 LYS C C 176.829 0.3 1 198 50 50 LYS CA C 61.048 0.3 1 199 50 50 LYS CB C 31.768 0.3 1 200 50 50 LYS N N 116.922 0.3 1 201 51 51 LYS H H 7.624 0.020 1 202 51 51 LYS C C 177.645 0.3 1 203 51 51 LYS CA C 58.645 0.3 1 204 51 51 LYS CB C 31.367 0.3 1 205 51 51 LYS N N 117.780 0.3 1 206 52 52 ALA H H 7.463 0.020 1 207 52 52 ALA C C 179.960 0.3 1 208 52 52 ALA CA C 54.479 0.3 1 209 52 52 ALA CB C 17.752 0.3 1 210 52 52 ALA N N 120.194 0.3 1 211 53 53 ILE H H 8.170 0.020 1 212 53 53 ILE C C 179.167 0.3 1 213 53 53 ILE CA C 65.398 0.3 1 214 53 53 ILE CB C 36.731 0.3 1 215 53 53 ILE N N 119.127 0.3 1 216 55 55 ASP H H 8.206 0.020 1 217 55 55 ASP C C 178.028 0.3 1 218 55 55 ASP CA C 57.265 0.3 1 219 55 55 ASP CB C 39.609 0.3 1 220 55 55 ASP N N 119.198 0.3 1 221 56 56 LEU H H 8.800 0.020 1 222 56 56 LEU C C 179.075 0.3 1 223 56 56 LEU CA C 56.276 0.3 1 224 56 56 LEU CB C 42.030 0.3 1 225 56 56 LEU N N 116.191 0.3 1 226 57 57 LEU H H 8.254 0.020 1 227 57 57 LEU C C 177.288 0.3 1 228 57 57 LEU CA C 55.652 0.3 1 229 57 57 LEU CB C 40.587 0.3 1 230 57 57 LEU N N 116.937 0.3 1 231 58 58 PHE H H 7.650 0.020 1 232 58 58 PHE C C 179.343 0.3 1 233 58 58 PHE CA C 61.617 0.3 1 234 58 58 PHE CB C 37.024 0.3 1 235 58 58 PHE N N 118.832 0.3 1 236 59 59 LYS H H 7.970 0.020 1 237 59 59 LYS C C 174.598 0.3 1 238 59 59 LYS CA C 58.190 0.3 1 239 59 59 LYS CB C 31.198 0.3 1 240 59 59 LYS N N 116.464 0.3 1 241 60 60 THR H H 6.851 0.020 1 242 60 60 THR C C 174.056 0.3 1 243 60 60 THR CA C 61.649 0.3 1 244 60 60 THR CB C 69.269 0.3 1 245 60 60 THR N N 106.620 0.3 1 246 61 61 ASN H H 7.690 0.020 1 247 61 61 ASN C C 172.385 0.3 1 248 61 61 ASN CA C 51.804 0.3 1 249 61 61 ASN CB C 41.519 0.3 1 250 61 61 ASN N N 121.659 0.3 1 251 63 63 LYS H H 7.815 0.020 1 252 63 63 LYS C C 174.656 0.3 1 253 63 63 LYS CA C 53.085 0.3 1 254 63 63 LYS CB C 32.650 0.3 1 255 63 63 LYS N N 117.694 0.3 1 256 64 64 VAL H H 8.557 0.020 1 257 64 64 VAL C C 176.078 0.3 1 258 64 64 VAL CA C 60.602 0.3 1 259 64 64 VAL CB C 32.673 0.3 1 260 64 64 VAL N N 124.393 0.3 1 261 65 65 THR H H 8.310 0.020 1 262 65 65 THR C C 175.122 0.3 1 263 65 65 THR CA C 59.193 0.3 1 264 65 65 THR CB C 70.508 0.3 1 265 65 65 THR N N 117.147 0.3 1 266 66 66 VAL H H 8.236 0.020 1 267 66 66 VAL C C 177.276 0.3 1 268 66 66 VAL CA C 66.510 0.3 1 269 66 66 VAL CB C 30.242 0.3 1 270 66 66 VAL N N 121.796 0.3 1 271 67 67 LYS H H 8.241 0.020 1 272 67 67 LYS C C 178.273 0.3 1 273 67 67 LYS CA C 59.912 0.3 1 274 67 67 LYS CB C 31.535 0.3 1 275 67 67 LYS N N 122.129 0.3 1 276 68 68 GLN H H 7.737 0.020 1 277 68 68 GLN C C 178.978 0.3 1 278 68 68 GLN CA C 58.370 0.3 1 279 68 68 GLN CB C 28.080 0.3 1 280 68 68 GLN N N 118.104 0.3 1 281 69 69 LEU H H 7.864 0.020 1 282 69 69 LEU C C 178.873 0.3 1 283 69 69 LEU CA C 57.972 0.3 1 284 69 69 LEU CB C 41.164 0.3 1 285 69 69 LEU N N 120.565 0.3 1 286 70 70 LYS H H 8.725 0.020 1 287 70 70 LYS C C 177.923 0.3 1 288 70 70 LYS CA C 61.226 0.3 1 289 70 70 LYS CB C 32.105 0.3 1 290 70 70 LYS N N 118.241 0.3 1 291 71 71 GLU H H 8.635 0.020 1 292 71 71 GLU C C 177.665 0.3 1 293 71 71 GLU CA C 58.276 0.3 1 294 71 71 GLU CB C 29.733 0.3 1 295 71 71 GLU N N 117.968 0.3 1 296 72 72 ASP H H 8.918 0.020 1 297 72 72 ASP C C 175.642 0.3 1 298 72 72 ASP CA C 56.020 0.3 1 299 72 72 ASP CB C 39.990 0.3 1 300 72 72 ASP N N 119.882 0.3 1 301 73 73 TYR H H 6.968 0.020 1 302 73 73 TYR C C 175.966 0.3 1 303 73 73 TYR CA C 59.838 0.3 1 304 73 73 TYR CB C 38.787 0.3 1 305 73 73 TYR N N 114.140 0.3 1 306 74 74 PHE H H 8.534 0.020 1 307 74 74 PHE C C 176.794 0.3 1 308 74 74 PHE CA C 64.894 0.3 1 309 74 74 PHE CB C 37.621 0.3 1 310 74 74 PHE N N 119.625 0.3 1 311 75 75 LYS H H 7.928 0.020 1 312 75 75 LYS C C 178.943 0.3 1 313 75 75 LYS CA C 58.776 0.3 1 314 75 75 LYS CB C 30.786 0.3 1 315 75 75 LYS N N 117.829 0.3 1 316 76 76 LYS H H 6.765 0.020 1 317 76 76 LYS C C 176.413 0.3 1 318 76 76 LYS CA C 59.075 0.3 1 319 76 76 LYS CB C 31.946 0.3 1 320 76 76 LYS N N 116.327 0.3 1 321 77 77 ILE H H 7.436 0.020 1 322 77 77 ILE C C 177.707 0.3 1 323 77 77 ILE CA C 59.894 0.3 1 324 77 77 ILE CB C 33.935 0.3 1 325 77 77 ILE N N 114.686 0.3 1 326 78 78 GLU H H 6.350 0.020 1 327 78 78 GLU C C 174.866 0.3 1 328 78 78 GLU CA C 57.129 0.3 1 329 78 78 GLU CB C 27.332 0.3 1 330 78 78 GLU N N 115.370 0.3 1 331 79 79 CYS H H 6.861 0.020 1 332 79 79 CYS C C 174.711 0.3 1 333 79 79 CYS CA C 59.733 0.3 1 334 79 79 CYS CB C 24.168 0.3 1 335 79 79 CYS N N 110.585 0.3 1 336 80 80 PHE H H 8.177 0.020 1 337 80 80 PHE C C 175.970 0.3 1 338 80 80 PHE CA C 54.823 0.3 1 339 80 80 PHE CB C 38.265 0.3 1 340 80 80 PHE N N 119.335 0.3 1 341 81 81 ASP H H 8.899 0.020 1 342 81 81 ASP C C 175.970 0.3 1 343 81 81 ASP CA C 55.845 0.3 1 344 81 81 ASP CB C 40.908 0.3 1 345 81 81 ASP N N 123.846 0.3 1 346 82 82 SER H H 7.710 0.020 1 347 82 82 SER C C 172.646 0.3 1 348 82 82 SER CA C 56.601 0.3 1 349 82 82 SER CB C 63.474 0.3 1 350 82 82 SER N N 111.815 0.3 1 351 83 83 VAL H H 8.220 0.020 1 352 83 83 VAL CA C 60.015 0.3 1 353 83 83 VAL CB C 33.237 0.3 1 354 83 83 VAL N N 122.483 0.3 1 355 84 84 GLU H H 8.239 0.020 1 356 84 84 GLU C C 175.857 0.3 1 357 84 84 GLU CA C 53.949 0.3 1 358 84 84 GLU CB C 30.048 0.3 1 359 84 84 GLU N N 124.584 0.3 1 360 85 85 ILE H H 8.648 0.020 1 361 85 85 ILE C C 175.091 0.3 1 362 85 85 ILE CA C 57.511 0.3 1 363 85 85 ILE CB C 38.233 0.3 1 364 85 85 ILE N N 126.034 0.3 1 365 86 86 SER H H 9.267 0.020 1 366 86 86 SER C C 173.558 0.3 1 367 86 86 SER CA C 56.564 0.3 1 368 86 86 SER CB C 65.179 0.3 1 369 86 86 SER N N 122.753 0.3 1 370 88 88 VAL H H 6.986 0.020 1 371 88 88 VAL C C 172.741 0.3 1 372 88 88 VAL CA C 59.561 0.3 1 373 88 88 VAL CB C 32.413 0.3 1 374 88 88 VAL N N 116.327 0.3 1 375 89 89 GLU H H 8.392 0.020 1 376 89 89 GLU C C 175.745 0.3 1 377 89 89 GLU CA C 55.254 0.3 1 378 89 89 GLU CB C 29.725 0.3 1 379 89 89 GLU N N 126.854 0.3 1 380 90 90 ASP H H 8.830 0.020 1 381 90 90 ASP C C 176.138 0.3 1 382 90 90 ASP CA C 58.956 0.3 1 383 90 90 ASP CB C 40.480 0.3 1 384 90 90 ASP N N 120.018 0.3 1 385 91 91 ARG H H 9.085 0.020 1 386 91 91 ARG C C 173.474 0.3 1 387 91 91 ARG CA C 54.356 0.3 1 388 91 91 ARG CB C 30.760 0.3 1 389 91 91 ARG N N 120.839 0.3 1 390 92 92 PHE H H 8.218 0.020 1 391 92 92 PHE C C 177.102 0.3 1 392 92 92 PHE CA C 58.798 0.3 1 393 92 92 PHE CB C 37.572 0.3 1 394 92 92 PHE N N 120.018 0.3 1 395 93 93 ASN H H 11.524 0.020 1 396 93 93 ASN C C 176.623 0.3 1 397 93 93 ASN CA C 55.407 0.3 1 398 93 93 ASN CB C 38.514 0.3 1 399 93 93 ASN N N 128.631 0.3 1 400 94 94 ALA H H 9.779 0.020 1 401 94 94 ALA C C 175.203 0.3 1 402 94 94 ALA CA C 51.653 0.3 1 403 94 94 ALA CB C 19.823 0.3 1 404 94 94 ALA N N 126.444 0.3 1 405 95 95 SER H H 7.790 0.020 1 406 95 95 SER C C 173.835 0.3 1 407 95 95 SER CA C 56.822 0.3 1 408 95 95 SER CB C 65.966 0.3 1 409 95 95 SER N N 110.858 0.3 1 410 96 96 LEU H H 9.640 0.020 1 411 96 96 LEU C C 177.648 0.3 1 412 96 96 LEU CA C 51.410 0.3 1 413 96 96 LEU CB C 37.589 0.3 1 414 96 96 LEU N N 127.538 0.3 1 415 97 97 GLY H H 7.365 0.020 1 416 97 97 GLY C C 176.023 0.3 1 417 97 97 GLY CA C 48.170 0.3 1 418 97 97 GLY N N 109.491 0.3 1 419 98 98 THR H H 10.411 0.020 1 420 98 98 THR C C 176.080 0.3 1 421 98 98 THR CA C 65.419 0.3 1 422 98 98 THR CB C 66.902 0.3 1 423 98 98 THR N N 124.120 0.3 1 424 99 99 TYR H H 8.740 0.020 1 425 99 99 TYR C C 176.626 0.3 1 426 99 99 TYR CA C 62.515 0.3 1 427 99 99 TYR CB C 38.191 0.3 1 428 99 99 TYR N N 125.638 0.3 1 429 100 100 HIS H H 7.643 0.020 1 430 100 100 HIS C C 179.196 0.3 1 431 100 100 HIS CA C 60.845 0.3 1 432 100 100 HIS CB C 30.266 0.3 1 433 100 100 HIS N N 116.600 0.3 1 434 101 101 ASP H H 8.891 0.020 1 435 101 101 ASP C C 179.380 0.3 1 436 101 101 ASP CA C 56.647 0.3 1 437 101 101 ASP CB C 39.950 0.3 1 438 101 101 ASP N N 122.753 0.3 1 439 102 102 LEU H H 8.864 0.020 1 440 102 102 LEU C C 179.307 0.3 1 441 102 102 LEU CA C 56.510 0.3 1 442 102 102 LEU CB C 39.954 0.3 1 443 102 102 LEU N N 118.104 0.3 1 444 103 103 LEU H H 8.735 0.020 1 445 103 103 LEU C C 179.634 0.3 1 446 103 103 LEU CA C 57.780 0.3 1 447 103 103 LEU CB C 39.988 0.3 1 448 103 103 LEU N N 124.940 0.3 1 449 104 104 LYS H H 7.133 0.020 1 450 104 104 LYS C C 176.793 0.3 1 451 104 104 LYS CA C 57.887 0.3 1 452 104 104 LYS CB C 31.148 0.3 1 453 104 104 LYS N N 117.694 0.3 1 454 105 105 ILE H H 6.837 0.020 1 455 105 105 ILE C C 175.732 0.3 1 456 105 105 ILE CA C 63.453 0.3 1 457 105 105 ILE CB C 39.372 0.3 1 458 105 105 ILE N N 116.327 0.3 1 459 106 106 ILE H H 8.793 0.020 1 460 106 106 ILE C C 177.089 0.3 1 461 106 106 ILE CA C 62.789 0.3 1 462 106 106 ILE CB C 37.648 0.3 1 463 106 106 ILE N N 116.737 0.3 1 464 107 107 LYS H H 7.598 0.020 1 465 107 107 LYS C C 175.378 0.3 1 466 107 107 LYS CA C 57.875 0.3 1 467 107 107 LYS CB C 28.522 0.3 1 468 107 107 LYS N N 112.909 0.3 1 469 108 108 ASP H H 6.495 0.020 1 470 108 108 ASP C C 174.974 0.3 1 471 108 108 ASP CA C 52.395 0.3 1 472 108 108 ASP CB C 40.536 0.3 1 473 108 108 ASP N N 116.600 0.3 1 474 109 109 LYS H H 8.637 0.020 1 475 109 109 LYS C C 177.277 0.3 1 476 109 109 LYS CA C 59.396 0.3 1 477 109 109 LYS CB C 32.084 0.3 1 478 109 109 LYS N N 128.221 0.3 1 479 110 110 ASP H H 7.872 0.020 1 480 110 110 ASP C C 178.540 0.3 1 481 110 110 ASP CA C 57.085 0.3 1 482 110 110 ASP CB C 39.259 0.3 1 483 110 110 ASP N N 117.421 0.3 1 484 111 111 PHE H H 7.545 0.020 1 485 111 111 PHE C C 178.161 0.3 1 486 111 111 PHE CA C 60.446 0.3 1 487 111 111 PHE CB C 38.421 0.3 1 488 111 111 PHE N N 120.839 0.3 1 489 112 112 LEU H H 7.088 0.020 1 490 112 112 LEU C C 178.865 0.3 1 491 112 112 LEU CA C 56.504 0.3 1 492 112 112 LEU CB C 40.862 0.3 1 493 112 112 LEU N N 117.011 0.3 1 494 113 113 ASP H H 8.105 0.020 1 495 113 113 ASP C C 176.085 0.3 1 496 113 113 ASP CA C 54.805 0.3 1 497 113 113 ASP CB C 40.100 0.3 1 498 113 113 ASP N N 118.005 0.3 1 499 114 114 ASN H H 7.019 0.020 1 500 114 114 ASN C C 177.736 0.3 1 501 114 114 ASN CA C 52.652 0.3 1 502 114 114 ASN CB C 36.850 0.3 1 503 114 114 ASN N N 119.745 0.3 1 504 115 115 GLU H H 9.476 0.020 1 505 115 115 GLU C C 178.208 0.3 1 506 115 115 GLU CA C 58.972 0.3 1 507 115 115 GLU CB C 28.242 0.3 1 508 115 115 GLU N N 132.623 0.3 1 509 116 116 GLU H H 8.230 0.020 1 510 116 116 GLU C C 177.883 0.3 1 511 116 116 GLU CA C 57.737 0.3 1 512 116 116 GLU CB C 28.244 0.3 1 513 116 116 GLU N N 118.514 0.3 1 514 117 117 ASN H H 7.579 0.020 1 515 117 117 ASN C C 175.148 0.3 1 516 117 117 ASN CA C 52.309 0.3 1 517 117 117 ASN CB C 37.137 0.3 1 518 117 117 ASN N N 114.960 0.3 1 519 118 118 GLU H H 7.345 0.020 1 520 118 118 GLU C C 178.171 0.3 1 521 118 118 GLU CA C 60.423 0.3 1 522 118 118 GLU CB C 29.455 0.3 1 523 118 118 GLU N N 121.862 0.3 1 524 119 119 ASP H H 8.574 0.020 1 525 119 119 ASP C C 179.623 0.3 1 526 119 119 ASP CA C 57.427 0.3 1 527 119 119 ASP CB C 39.109 0.3 1 528 119 119 ASP N N 118.651 0.3 1 529 120 120 ILE H H 7.637 0.020 1 530 120 120 ILE C C 177.409 0.3 1 531 120 120 ILE CA C 64.825 0.3 1 532 120 120 ILE CB C 37.768 0.3 1 533 120 120 ILE N N 122.616 0.3 1 534 121 121 LEU H H 7.671 0.020 1 535 121 121 LEU C C 180.143 0.3 1 536 121 121 LEU CA C 57.722 0.3 1 537 121 121 LEU CB C 40.284 0.3 1 538 121 121 LEU N N 118.104 0.3 1 539 122 122 GLU H H 8.355 0.020 1 540 122 122 GLU C C 179.528 0.3 1 541 122 122 GLU CA C 58.252 0.3 1 542 122 122 GLU CB C 27.994 0.3 1 543 122 122 GLU N N 117.284 0.3 1 544 123 123 ASP H H 8.023 0.020 1 545 123 123 ASP C C 179.033 0.3 1 546 123 123 ASP CA C 57.404 0.3 1 547 123 123 ASP CB C 40.901 0.3 1 548 123 123 ASP N N 122.206 0.3 1 549 124 124 ILE H H 8.471 0.020 1 550 124 124 ILE C C 177.072 0.3 1 551 124 124 ILE CA C 66.371 0.3 1 552 124 124 ILE CB C 37.049 0.3 1 553 124 124 ILE N N 121.821 0.3 1 554 128 128 LEU H H 7.806 0.020 1 555 128 128 LEU C C 177.115 0.3 1 556 128 128 LEU CA C 55.979 0.3 1 557 128 128 LEU CB C 40.808 0.3 1 558 128 128 LEU N N 116.190 0.3 1 559 129 129 THR H H 7.612 0.020 1 560 129 129 THR C C 175.636 0.3 1 561 129 129 THR CA C 63.463 0.3 1 562 129 129 THR CB C 69.160 0.3 1 563 129 129 THR N N 116.464 0.3 1 564 130 130 LEU H H 8.541 0.020 1 565 130 130 LEU C C 177.532 0.3 1 566 130 130 LEU CA C 56.826 0.3 1 567 130 130 LEU CB C 43.187 0.3 1 568 130 130 LEU N N 122.479 0.3 1 569 131 131 PHE H H 7.344 0.020 1 570 131 131 PHE C C 174.185 0.3 1 571 131 131 PHE CA C 56.712 0.3 1 572 131 131 PHE CB C 40.561 0.3 1 573 131 131 PHE N N 114.956 0.3 1 574 132 132 GLU H H 8.414 0.020 1 575 132 132 GLU C C 176.231 0.3 1 576 132 132 GLU CA C 55.629 0.3 1 577 132 132 GLU N N 117.778 0.3 1 578 133 133 ASP H H 7.702 0.020 1 579 133 133 ASP C C 176.297 0.3 1 580 133 133 ASP CA C 53.593 0.3 1 581 133 133 ASP CB C 42.042 0.3 1 582 133 133 ASP N N 120.565 0.3 1 583 134 134 ARG H H 8.830 0.020 1 584 134 134 ARG C C 177.905 0.3 1 585 134 134 ARG CA C 58.933 0.3 1 586 134 134 ARG CB C 28.941 0.3 1 587 134 134 ARG N N 126.581 0.3 1 588 135 135 GLU H H 8.470 0.020 1 589 135 135 GLU C C 179.378 0.3 1 590 135 135 GLU CA C 59.207 0.3 1 591 135 135 GLU CB C 27.793 0.3 1 592 135 135 GLU N N 119.745 0.3 1 593 136 136 MET H H 7.647 0.020 1 594 136 136 MET C C 178.608 0.3 1 595 136 136 MET CA C 57.007 0.3 1 596 136 136 MET CB C 30.659 0.3 1 597 136 136 MET N N 120.018 0.3 1 598 137 137 ILE H H 7.579 0.020 1 599 137 137 ILE C C 177.380 0.3 1 600 137 137 ILE CA C 65.422 0.3 1 601 137 137 ILE CB C 37.323 0.3 1 602 137 137 ILE N N 119.974 0.3 1 603 138 138 GLU H H 8.148 0.020 1 604 138 138 GLU C C 178.663 0.3 1 605 138 138 GLU CA C 59.561 0.3 1 606 138 138 GLU CB C 28.475 0.3 1 607 138 138 GLU N N 118.925 0.3 1 608 139 139 GLU H H 7.665 0.020 1 609 139 139 GLU CA C 58.688 0.3 1 610 139 139 GLU CB C 28.524 0.3 1 611 139 139 GLU N N 117.968 0.3 1 612 140 140 ARG H H 7.663 0.020 1 613 140 140 ARG C C 179.337 0.3 1 614 140 140 ARG CB C 29.620 0.3 1 615 140 140 ARG N N 117.765 0.3 1 616 141 141 LEU H H 8.304 0.020 1 617 141 141 LEU C C 178.469 0.3 1 618 141 141 LEU CA C 55.880 0.3 1 619 141 141 LEU CB C 40.446 0.3 1 620 141 141 LEU N N 118.104 0.3 1 621 142 142 LYS H H 7.547 0.020 1 622 142 142 LYS C C 178.213 0.3 1 623 142 142 LYS CA C 59.263 0.3 1 624 142 142 LYS CB C 30.733 0.3 1 625 142 142 LYS N N 120.018 0.3 1 626 143 143 THR H H 7.172 0.020 1 627 143 143 THR C C 173.778 0.3 1 628 143 143 THR CA C 63.955 0.3 1 629 143 143 THR CB C 68.475 0.3 1 630 143 143 THR N N 114.686 0.3 1 631 144 144 TYR H H 7.604 0.020 1 632 144 144 TYR C C 176.356 0.3 1 633 144 144 TYR CA C 55.701 0.3 1 634 144 144 TYR CB C 37.782 0.3 1 635 144 144 TYR N N 117.831 0.3 1 636 145 145 ALA H H 7.582 0.020 1 637 145 145 ALA C C 177.389 0.3 1 638 145 145 ALA CA C 54.648 0.3 1 639 145 145 ALA CB C 17.764 0.3 1 640 145 145 ALA N N 122.488 0.3 1 641 147 147 LEU H H 7.221 0.020 1 642 147 147 LEU C C 176.080 0.3 1 643 147 147 LEU CA C 54.702 0.3 1 644 147 147 LEU CB C 41.139 0.3 1 645 147 147 LEU N N 120.839 0.3 1 646 148 148 PHE H H 6.753 0.020 1 647 148 148 PHE C C 174.271 0.3 1 648 148 148 PHE CA C 53.680 0.3 1 649 148 148 PHE CB C 41.725 0.3 1 650 148 148 PHE N N 115.233 0.3 1 651 149 149 ASP H H 8.416 0.020 1 652 149 149 ASP C C 176.367 0.3 1 653 149 149 ASP CA C 53.065 0.3 1 654 149 149 ASP CB C 41.164 0.3 1 655 149 149 ASP N N 120.565 0.3 1 656 150 150 ASP H H 8.535 0.020 1 657 150 150 ASP C C 178.017 0.3 1 658 150 150 ASP CA C 57.373 0.3 1 659 150 150 ASP CB C 40.847 0.3 1 660 150 150 ASP N N 120.292 0.3 1 661 151 151 LYS H H 8.259 0.020 1 662 151 151 LYS C C 179.974 0.3 1 663 151 151 LYS CA C 59.176 0.3 1 664 151 151 LYS CB C 30.588 0.3 1 665 151 151 LYS N N 119.471 0.3 1 666 152 152 VAL H H 7.743 0.020 1 667 152 152 VAL C C 178.293 0.3 1 668 152 152 VAL CA C 65.666 0.3 1 669 152 152 VAL CB C 30.944 0.3 1 670 152 152 VAL N N 121.932 0.3 1 671 153 153 MET H H 8.095 0.020 1 672 153 153 MET C C 178.348 0.3 1 673 153 153 MET CA C 56.932 0.3 1 674 153 153 MET CB C 30.002 0.3 1 675 153 153 MET N N 118.378 0.3 1 676 154 154 LYS H H 7.940 0.020 1 677 154 154 LYS C C 178.639 0.3 1 678 154 154 LYS CA C 59.340 0.3 1 679 154 154 LYS CB C 31.511 0.3 1 680 154 154 LYS N N 117.968 0.3 1 681 155 155 GLN H H 7.031 0.020 1 682 155 155 GLN C C 179.384 0.3 1 683 155 155 GLN CA C 57.571 0.3 1 684 155 155 GLN CB C 29.320 0.3 1 685 155 155 GLN N N 115.643 0.3 1 686 156 156 LEU H H 8.439 0.020 1 687 156 156 LEU C C 177.441 0.3 1 688 156 156 LEU CA C 57.660 0.3 1 689 156 156 LEU CB C 41.174 0.3 1 690 156 156 LEU N N 122.479 0.3 1 691 157 157 LYS H H 7.532 0.020 1 692 157 157 LYS C C 176.300 0.3 1 693 157 157 LYS CA C 57.804 0.3 1 694 157 157 LYS CB C 31.188 0.3 1 695 157 157 LYS N N 111.405 0.3 1 696 158 158 ARG H H 6.810 0.020 1 697 158 158 ARG C C 176.104 0.3 1 698 158 158 ARG CA C 55.272 0.3 1 699 158 158 ARG CB C 30.094 0.3 1 700 158 158 ARG N N 115.917 0.3 1 701 159 159 ARG H H 7.236 0.020 1 702 159 159 ARG C C 173.771 0.3 1 703 159 159 ARG CA C 53.837 0.3 1 704 159 159 ARG CB C 29.293 0.3 1 705 159 159 ARG N N 123.776 0.3 1 706 160 160 ARG H H 7.407 0.020 1 707 160 160 ARG C C 175.422 0.3 1 708 160 160 ARG CA C 54.108 0.3 1 709 160 160 ARG CB C 31.235 0.3 1 710 160 160 ARG N N 120.565 0.3 1 711 161 161 TYR H H 7.616 0.020 1 712 161 161 TYR C C 173.880 0.3 1 713 161 161 TYR CA C 56.705 0.3 1 714 161 161 TYR CB C 41.279 0.3 1 715 161 161 TYR N N 122.479 0.3 1 716 162 162 THR H H 7.804 0.020 1 717 162 162 THR C C 174.369 0.3 1 718 162 162 THR CA C 59.650 0.3 1 719 162 162 THR CB C 70.873 0.3 1 720 162 162 THR N N 110.722 0.3 1 721 163 163 GLY H H 8.169 0.020 1 722 163 163 GLY C C 173.290 0.3 1 723 163 163 GLY CA C 43.730 0.3 1 724 163 163 GLY N N 109.355 0.3 1 725 164 164 TRP H H 8.592 0.020 1 726 164 164 TRP C C 176.294 0.3 1 727 164 164 TRP CA C 56.314 0.3 1 728 164 164 TRP CB C 31.412 0.3 1 729 164 164 TRP N N 122.889 0.3 1 730 165 165 GLY H H 8.781 0.020 1 731 165 165 GLY C C 171.874 0.3 1 732 165 165 GLY CA C 42.860 0.3 1 733 165 165 GLY N N 109.901 0.3 1 734 166 166 ARG H H 7.671 0.020 1 735 166 166 ARG C C 174.998 0.3 1 736 166 166 ARG CA C 55.477 0.3 1 737 166 166 ARG CB C 30.871 0.3 1 738 166 166 ARG N N 112.362 0.3 1 739 167 167 LEU H H 6.882 0.020 1 740 167 167 LEU C C 175.528 0.3 1 741 167 167 LEU CA C 52.475 0.3 1 742 167 167 LEU CB C 44.648 0.3 1 743 167 167 LEU N N 114.550 0.3 1 744 168 168 SER H H 8.902 0.020 1 745 168 168 SER C C 174.179 0.3 1 746 168 168 SER CA C 56.908 0.3 1 747 168 168 SER CB C 67.388 0.3 1 748 168 168 SER N N 117.112 0.3 1 749 169 169 ARG H H 8.981 0.020 1 750 169 169 ARG C C 177.446 0.3 1 751 169 169 ARG CA C 59.207 0.3 1 752 169 169 ARG CB C 28.853 0.3 1 753 169 169 ARG N N 121.932 0.3 1 754 170 170 LYS H H 8.465 0.020 1 755 170 170 LYS C C 177.283 0.3 1 756 170 170 LYS CA C 57.866 0.3 1 757 170 170 LYS CB C 30.691 0.3 1 758 170 170 LYS N N 117.831 0.3 1 759 171 171 LEU H H 7.430 0.020 1 760 171 171 LEU C C 177.669 0.3 1 761 171 171 LEU CA C 57.162 0.3 1 762 171 171 LEU CB C 40.541 0.3 1 763 171 171 LEU N N 118.925 0.3 1 764 172 172 ILE H H 7.189 0.020 1 765 172 172 ILE C C 174.711 0.3 1 766 172 172 ILE CA C 64.551 0.3 1 767 172 172 ILE CB C 38.213 0.3 1 768 172 172 ILE N N 112.772 0.3 1 769 173 173 ASN H H 8.647 0.020 1 770 173 173 ASN C C 173.938 0.3 1 771 173 173 ASN CA C 51.469 0.3 1 772 173 173 ASN CB C 40.009 0.3 1 773 173 173 ASN N N 116.464 0.3 1 774 174 174 GLY H H 7.823 0.020 1 775 174 174 GLY C C 173.235 0.3 1 776 174 174 GLY CA C 46.403 0.3 1 777 174 174 GLY N N 111.815 0.3 1 778 175 175 ILE H H 8.519 0.020 1 779 175 175 ILE C C 175.405 0.3 1 780 175 175 ILE CA C 62.487 0.3 1 781 175 175 ILE CB C 37.691 0.3 1 782 175 175 ILE N N 121.112 0.3 1 783 176 176 ARG H H 8.425 0.020 1 784 176 176 ARG C C 176.766 0.3 1 785 176 176 ARG CA C 53.787 0.3 1 786 176 176 ARG CB C 31.914 0.3 1 787 176 176 ARG N N 121.796 0.3 1 788 177 177 ASP H H 8.699 0.020 1 789 177 177 ASP C C 177.651 0.3 1 790 177 177 ASP CA C 52.941 0.3 1 791 177 177 ASP CB C 42.401 0.3 1 792 177 177 ASP N N 127.128 0.3 1 793 178 178 LYS H H 8.289 0.020 1 794 178 178 LYS C C 178.651 0.3 1 795 178 178 LYS CA C 59.852 0.3 1 796 178 178 LYS CB C 31.965 0.3 1 797 178 178 LYS N N 129.178 0.3 1 798 179 179 GLN H H 8.406 0.020 1 799 179 179 GLN C C 177.672 0.3 1 800 179 179 GLN CA C 58.190 0.3 1 801 179 179 GLN CB C 27.884 0.3 1 802 179 179 GLN N N 115.780 0.3 1 803 180 180 SER H H 7.693 0.020 1 804 180 180 SER C C 176.635 0.3 1 805 180 180 SER CA C 59.296 0.3 1 806 180 180 SER CB C 64.621 0.3 1 807 180 180 SER N N 111.168 0.3 1 808 181 181 GLY H H 8.140 0.020 1 809 181 181 GLY C C 173.804 0.3 1 810 181 181 GLY CA C 45.881 0.3 1 811 181 181 GLY N N 113.729 0.3 1 812 182 182 LYS H H 7.649 0.020 1 813 182 182 LYS C C 177.408 0.3 1 814 182 182 LYS CA C 56.068 0.3 1 815 182 182 LYS CB C 33.878 0.3 1 816 182 182 LYS N N 121.318 0.3 1 817 183 183 THR H H 9.130 0.020 1 818 183 183 THR C C 175.798 0.3 1 819 183 183 THR CA C 59.644 0.3 1 820 183 183 THR CB C 71.295 0.3 1 821 183 183 THR N N 113.593 0.3 1 822 184 184 ILE H H 9.409 0.020 1 823 184 184 ILE C C 178.476 0.3 1 824 184 184 ILE CA C 65.453 0.3 1 825 184 184 ILE CB C 34.407 0.3 1 826 184 184 ILE N N 122.753 0.3 1 827 185 185 LEU H H 8.382 0.020 1 828 185 185 LEU C C 177.880 0.3 1 829 185 185 LEU CA C 57.481 0.3 1 830 185 185 LEU CB C 40.101 0.3 1 831 185 185 LEU N N 120.018 0.3 1 832 186 186 ASP H H 7.929 0.020 1 833 186 186 ASP C C 180.184 0.3 1 834 186 186 ASP CA C 57.364 0.3 1 835 186 186 ASP CB C 39.047 0.3 1 836 186 186 ASP N N 118.788 0.3 1 837 187 187 PHE H H 8.019 0.020 1 838 187 187 PHE CA C 61.887 0.3 1 839 187 187 PHE CB C 40.913 0.3 1 840 187 187 PHE N N 120.103 0.3 1 841 188 188 LEU H H 8.015 0.020 1 842 188 188 LEU C C 179.194 0.3 1 843 188 188 LEU CA C 56.865 0.3 1 844 188 188 LEU CB C 40.564 0.3 1 845 188 188 LEU N N 119.714 0.3 1 846 189 189 LYS H H 7.870 0.020 1 847 189 189 LYS C C 178.034 0.3 1 848 189 189 LYS CA C 59.060 0.3 1 849 189 189 LYS CB C 31.501 0.3 1 850 189 189 LYS N N 118.651 0.3 1 851 190 190 SER H H 7.616 0.020 1 852 190 190 SER C C 171.914 0.3 1 853 190 190 SER CA C 57.748 0.3 1 854 190 190 SER CB C 63.094 0.3 1 855 190 190 SER N N 112.636 0.3 1 856 192 192 GLY H H 8.656 0.020 1 857 192 192 GLY C C 173.814 0.3 1 858 192 192 GLY CA C 47.002 0.3 1 859 192 192 GLY N N 110.585 0.3 1 860 193 193 PHE H H 8.581 0.020 1 861 193 193 PHE C C 175.310 0.3 1 862 193 193 PHE CA C 56.598 0.3 1 863 193 193 PHE N N 123.248 0.3 1 864 194 194 ALA H H 8.124 0.020 1 865 194 194 ALA C C 176.194 0.3 1 866 194 194 ALA CA C 53.156 0.3 1 867 194 194 ALA CB C 19.050 0.3 1 868 194 194 ALA N N 124.530 0.3 1 869 195 195 ASN H H 7.943 0.020 1 870 195 195 ASN C C 174.396 0.3 1 871 195 195 ASN CA C 53.584 0.3 1 872 195 195 ASN CB C 35.887 0.3 1 873 195 195 ASN N N 117.199 0.3 1 874 196 196 ARG H H 9.137 0.020 1 875 196 196 ARG C C 176.811 0.3 1 876 196 196 ARG CA C 56.562 0.3 1 877 196 196 ARG CB C 29.769 0.3 1 878 196 196 ARG N N 119.745 0.3 1 879 197 197 ASN H H 7.831 0.020 1 880 197 197 ASN C C 175.068 0.3 1 881 197 197 ASN CA C 49.731 0.3 1 882 197 197 ASN CB C 38.201 0.3 1 883 197 197 ASN N N 117.421 0.3 1 884 198 198 PHE H H 8.932 0.020 1 885 198 198 PHE C C 175.096 0.3 1 886 198 198 PHE CA C 61.800 0.3 1 887 198 198 PHE CB C 38.267 0.3 1 888 198 198 PHE N N 119.061 0.3 1 889 199 199 MET H H 7.911 0.020 1 890 199 199 MET C C 179.085 0.3 1 891 199 199 MET CA C 56.598 0.3 1 892 199 199 MET CB C 30.366 0.3 1 893 199 199 MET N N 115.233 0.3 1 894 200 200 GLN H H 7.673 0.020 1 895 200 200 GLN C C 179.729 0.3 1 896 200 200 GLN CA C 58.243 0.3 1 897 200 200 GLN CB C 28.309 0.3 1 898 200 200 GLN N N 116.874 0.3 1 899 201 201 LEU H H 8.623 0.020 1 900 201 201 LEU C C 179.468 0.3 1 901 201 201 LEU CA C 58.097 0.3 1 902 201 201 LEU CB C 40.898 0.3 1 903 201 201 LEU N N 120.702 0.3 1 904 202 202 ILE H H 7.225 0.020 1 905 202 202 ILE C C 174.536 0.3 1 906 202 202 ILE CA C 63.546 0.3 1 907 202 202 ILE CB C 36.143 0.3 1 908 202 202 ILE N N 108.398 0.3 1 909 203 203 HIS H H 6.775 0.020 1 910 203 203 HIS C C 174.216 0.3 1 911 203 203 HIS CA C 56.022 0.3 1 912 203 203 HIS CB C 30.425 0.3 1 913 203 203 HIS N N 115.834 0.3 1 914 204 204 ASP H H 6.890 0.020 1 915 204 204 ASP C C 177.173 0.3 1 916 204 204 ASP CA C 54.240 0.3 1 917 204 204 ASP CB C 41.144 0.3 1 918 204 204 ASP N N 122.343 0.3 1 919 205 205 ASP H H 8.744 0.020 1 920 205 205 ASP C C 176.469 0.3 1 921 205 205 ASP CA C 56.344 0.3 1 922 205 205 ASP CB C 40.588 0.3 1 923 205 205 ASP N N 127.264 0.3 1 924 206 206 SER H H 9.356 0.020 1 925 206 206 SER C C 173.467 0.3 1 926 206 206 SER CA C 59.213 0.3 1 927 206 206 SER CB C 63.414 0.3 1 928 206 206 SER N N 116.190 0.3 1 929 207 207 LEU H H 7.420 0.020 1 930 207 207 LEU C C 177.660 0.3 1 931 207 207 LEU CA C 52.220 0.3 1 932 207 207 LEU CB C 43.212 0.3 1 933 207 207 LEU N N 123.573 0.3 1 934 208 208 THR H H 8.396 0.020 1 935 208 208 THR C C 174.960 0.3 1 936 208 208 THR CA C 62.745 0.3 1 937 208 208 THR CB C 67.865 0.3 1 938 208 208 THR N N 106.347 0.3 1 939 209 209 PHE H H 6.538 0.020 1 940 209 209 PHE C C 177.430 0.3 1 941 209 209 PHE CA C 60.209 0.3 1 942 209 209 PHE CB C 37.316 0.3 1 943 209 209 PHE N N 120.565 0.3 1 944 210 210 LYS H H 9.071 0.020 1 945 210 210 LYS C C 178.817 0.3 1 946 210 210 LYS CA C 59.462 0.3 1 947 210 210 LYS CB C 30.850 0.3 1 948 210 210 LYS N N 118.514 0.3 1 949 211 211 GLU H H 7.745 0.020 1 950 211 211 GLU C C 178.422 0.3 1 951 211 211 GLU CA C 58.347 0.3 1 952 211 211 GLU CB C 28.555 0.3 1 953 211 211 GLU N N 120.155 0.3 1 954 213 213 ILE H H 8.480 0.020 1 955 213 213 ILE C C 178.207 0.3 1 956 213 213 ILE CA C 64.691 0.3 1 957 213 213 ILE CB C 37.629 0.3 1 958 213 213 ILE N N 122.616 0.3 1 959 214 214 GLN H H 7.960 0.020 1 960 214 214 GLN C C 179.910 0.3 1 961 214 214 GLN CA C 58.573 0.3 1 962 214 214 GLN CB C 27.117 0.3 1 963 214 214 GLN N N 119.745 0.3 1 964 215 215 LYS H H 8.156 0.020 1 965 215 215 LYS C C 177.625 0.3 1 966 215 215 LYS CA C 58.235 0.3 1 967 215 215 LYS CB C 31.465 0.3 1 968 215 215 LYS N N 119.127 0.3 1 969 216 216 ALA H H 7.506 0.020 1 970 216 216 ALA C C 177.884 0.3 1 971 216 216 ALA CA C 52.342 0.3 1 972 216 216 ALA CB C 18.565 0.3 1 973 216 216 ALA N N 120.975 0.3 1 974 217 217 GLN H H 7.375 0.020 1 975 217 217 GLN C C 175.320 0.3 1 976 217 217 GLN CA C 55.272 0.3 1 977 217 217 GLN CB C 27.774 0.3 1 978 217 217 GLN N N 116.737 0.3 1 979 218 218 VAL H H 7.266 0.020 1 980 218 218 VAL C C 181.111 0.3 1 981 218 218 VAL CA C 63.496 0.3 1 982 218 218 VAL CB C 31.836 0.3 1 983 218 218 VAL N N 123.846 0.3 1 stop_ save_