data_17190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex Pfu Rpp30 ; _BMRB_accession_number 17190 _BMRB_flat_file_name bmr17190.str _Entry_type original _Submission_date 2010-09-13 _Accession_date 2010-09-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Pfu Rpp30 labeled with unlabeled Pfu Pop5' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowe Brandon L. . 2 Foster Mark P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 465 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17189 'Free RPP30' stop_ _Original_release_date 2012-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assembly of the complex between archaeal RNase P proteins RPP30 and Pop5.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22162665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowe Brandon L. . 2 Bohlen Christopher J. . 3 Wilson Ross C. . 4 Gopalan Venkat . . 5 Foster Mark P. . stop_ _Journal_abbreviation Archaea _Journal_name_full 'Archaea (Vancouver, B.C.)' _Journal_volume 2011 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 891531 _Page_last 891531 _Year 2011 _Details . loop_ _Keyword Archaea 'Chemical Shift Perturbations' ITC NMR Pop5 'Protein protein interaction' 'Pyrococcus furiosis' 'RNase P' RPP30 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Complex Rpp30' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rpp30 $Rpp30 Pop5 $Pop5 stop_ _System_molecular_weight 76000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNase P protein subunits' stop_ _Database_query_date . _Details 'Unlabeled Pop5 with Labeled Rpp30' save_ ######################## # Monomeric polymers # ######################## save_Rpp30 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpp30 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'RNase P protein subunit' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 217 _Mol_residue_sequence ; GEFMAGGRNGVKFVEMDIRS REAYELAEEWFDDVVFSYEI PPGVLDKERLKEIKKEYGNV AITLINPKPSLVKEAVQRFK QNYLIYVESSDLRVVRYSIE RGVDAVISPWANRKDQGIDH VLARMMNKRGVALGFSLRPL LHQNPYERANALKFMRKAWT LVNKYKVPRFISSSAKGKFQ VRGVKELISLGIAIGMEEVQ AKASLSFYPLGILERLK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 GLU 3 -1 PHE 4 1 MET 5 2 ALA 6 3 GLY 7 4 GLY 8 5 ARG 9 6 ASN 10 7 GLY 11 8 VAL 12 9 LYS 13 10 PHE 14 11 VAL 15 12 GLU 16 13 MET 17 14 ASP 18 15 ILE 19 16 ARG 20 17 SER 21 18 ARG 22 19 GLU 23 20 ALA 24 21 TYR 25 22 GLU 26 23 LEU 27 24 ALA 28 25 GLU 29 26 GLU 30 27 TRP 31 28 PHE 32 29 ASP 33 30 ASP 34 31 VAL 35 32 VAL 36 33 PHE 37 34 SER 38 35 TYR 39 36 GLU 40 37 ILE 41 38 PRO 42 39 PRO 43 40 GLY 44 41 VAL 45 42 LEU 46 43 ASP 47 44 LYS 48 45 GLU 49 46 ARG 50 47 LEU 51 48 LYS 52 49 GLU 53 50 ILE 54 51 LYS 55 52 LYS 56 53 GLU 57 54 TYR 58 55 GLY 59 56 ASN 60 57 VAL 61 58 ALA 62 59 ILE 63 60 THR 64 61 LEU 65 62 ILE 66 63 ASN 67 64 PRO 68 65 LYS 69 66 PRO 70 67 SER 71 68 LEU 72 69 VAL 73 70 LYS 74 71 GLU 75 72 ALA 76 73 VAL 77 74 GLN 78 75 ARG 79 76 PHE 80 77 LYS 81 78 GLN 82 79 ASN 83 80 TYR 84 81 LEU 85 82 ILE 86 83 TYR 87 84 VAL 88 85 GLU 89 86 SER 90 87 SER 91 88 ASP 92 89 LEU 93 90 ARG 94 91 VAL 95 92 VAL 96 93 ARG 97 94 TYR 98 95 SER 99 96 ILE 100 97 GLU 101 98 ARG 102 99 GLY 103 100 VAL 104 101 ASP 105 102 ALA 106 103 VAL 107 104 ILE 108 105 SER 109 106 PRO 110 107 TRP 111 108 ALA 112 109 ASN 113 110 ARG 114 111 LYS 115 112 ASP 116 113 GLN 117 114 GLY 118 115 ILE 119 116 ASP 120 117 HIS 121 118 VAL 122 119 LEU 123 120 ALA 124 121 ARG 125 122 MET 126 123 MET 127 124 ASN 128 125 LYS 129 126 ARG 130 127 GLY 131 128 VAL 132 129 ALA 133 130 LEU 134 131 GLY 135 132 PHE 136 133 SER 137 134 LEU 138 135 ARG 139 136 PRO 140 137 LEU 141 138 LEU 142 139 HIS 143 140 GLN 144 141 ASN 145 142 PRO 146 143 TYR 147 144 GLU 148 145 ARG 149 146 ALA 150 147 ASN 151 148 ALA 152 149 LEU 153 150 LYS 154 151 PHE 155 152 MET 156 153 ARG 157 154 LYS 158 155 ALA 159 156 TRP 160 157 THR 161 158 LEU 162 159 VAL 163 160 ASN 164 161 LYS 165 162 TYR 166 163 LYS 167 164 VAL 168 165 PRO 169 166 ARG 170 167 PHE 171 168 ILE 172 169 SER 173 170 SER 174 171 SER 175 172 ALA 176 173 LYS 177 174 GLY 178 175 LYS 179 176 PHE 180 177 GLN 181 178 VAL 182 179 ARG 183 180 GLY 184 181 VAL 185 182 LYS 186 183 GLU 187 184 LEU 188 185 ILE 189 186 SER 190 187 LEU 191 188 GLY 192 189 ILE 193 190 ALA 194 191 ILE 195 192 GLY 196 193 MET 197 194 GLU 198 195 GLU 199 196 VAL 200 197 GLN 201 198 ALA 202 199 LYS 203 200 ALA 204 201 SER 205 202 LEU 206 203 SER 207 204 PHE 208 205 TYR 209 206 PRO 210 207 LEU 211 208 GLY 212 209 ILE 213 210 LEU 214 211 GLU 215 212 ARG 216 213 LEU 217 214 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 17189 Rpp30 100.00 217 100.00 100.00 3.95e-154 GB AAL82038 "hypothetical protein PF1914 [Pyrococcus furiosus DSM 3638]" 98.62 214 100.00 100.00 8.99e-152 GB AFN04726 "ribonuclease P protein component 3 [Pyrococcus furiosus COM1]" 95.39 207 99.52 100.00 2.21e-145 REF WP_011013054 "ribonuclease P [Pyrococcus furiosus]" 98.62 214 100.00 100.00 8.99e-152 SP Q8TZS0 "RecName: Full=Ribonuclease P protein component 3; Short=RNase P component 3; AltName: Full=Rpp30" 98.62 214 100.00 100.00 8.99e-152 stop_ save_ save_Pop5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pop5 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'RNase P protein subunit' stop_ _Details . _Residue_count 120 _Mol_residue_sequence ; MSERPKTLPPTLRDKKRYIA FKVISENQFNKDEIKEAIWN ACLRTLGELGTAKAKPWLIK FDETTQTGIIRSDRNHVYDV IFSLTLVSDINGNKAIIKVL GVSGTIKRLKRKFLSQFGWR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 ARG 5 PRO 6 LYS 7 THR 8 LEU 9 PRO 10 PRO 11 THR 12 LEU 13 ARG 14 ASP 15 LYS 16 LYS 17 ARG 18 TYR 19 ILE 20 ALA 21 PHE 22 LYS 23 VAL 24 ILE 25 SER 26 GLU 27 ASN 28 GLN 29 PHE 30 ASN 31 LYS 32 ASP 33 GLU 34 ILE 35 LYS 36 GLU 37 ALA 38 ILE 39 TRP 40 ASN 41 ALA 42 CYS 43 LEU 44 ARG 45 THR 46 LEU 47 GLY 48 GLU 49 LEU 50 GLY 51 THR 52 ALA 53 LYS 54 ALA 55 LYS 56 PRO 57 TRP 58 LEU 59 ILE 60 LYS 61 PHE 62 ASP 63 GLU 64 THR 65 THR 66 GLN 67 THR 68 GLY 69 ILE 70 ILE 71 ARG 72 SER 73 ASP 74 ARG 75 ASN 76 HIS 77 VAL 78 TYR 79 ASP 80 VAL 81 ILE 82 PHE 83 SER 84 LEU 85 THR 86 LEU 87 VAL 88 SER 89 ASP 90 ILE 91 ASN 92 GLY 93 ASN 94 LYS 95 ALA 96 ILE 97 ILE 98 LYS 99 VAL 100 LEU 101 GLY 102 VAL 103 SER 104 GLY 105 THR 106 ILE 107 LYS 108 ARG 109 LEU 110 LYS 111 ARG 112 LYS 113 PHE 114 LEU 115 SER 116 GLN 117 PHE 118 GLY 119 TRP 120 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 6917 Pfu_pop5 100.00 120 100.00 100.00 4.81e-81 PDB 2AV5 "Crystal Structure Of Pyrococcus Furiosus Pop5, An Archaeal Ribonuclease P Protein" 100.00 120 100.00 100.00 4.81e-81 GB AAL81502 "hypothetical protein PF1378 [Pyrococcus furiosus DSM 3638]" 100.00 120 99.17 99.17 3.70e-80 GB AFN04159 "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" 100.00 120 99.17 99.17 3.70e-80 REF NP_579107 "ribonuclease P protein component 2 [Pyrococcus furiosus DSM 3638]" 100.00 120 99.17 99.17 3.70e-80 REF WP_011012525 "ribonuclease P [Pyrococcus furiosus]" 100.00 120 99.17 99.17 3.70e-80 REF YP_006492451 "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" 100.00 120 99.17 99.17 3.70e-80 SP Q8U151 "RecName: Full=Ribonuclease P protein component 2; Short=RNase P component 2; AltName: Full=Pop5 [Pyrococcus furiosus DSM 3638]" 100.00 120 99.17 99.17 3.70e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rpp30 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $Rpp30 'recombinant technology' . Escherichia coli 'BL21 (DE3)' Rosetta pET33b 'Rpp30 from Pfu cloned into pET33b plasmid' 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 $Rpp30 450 uM '[U-100% 13C; U-100% 15N]' $Pop5 450 uM 'natural abundance' DSS 66.67 uM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' TRIS 10 mM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . pH pressure 1 . atm temperature 328 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'referenced with DSS' 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 CBCA(CO)NH' '3D HNCO' '3D HNCA' '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 Rpp30 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET C C 175.3570 0.078 1 2 1 4 MET CA C 55.4418 0.078 1 3 1 4 MET CB C 33.2450 0.078 1 4 1 4 MET N N 121.9200 0.120 1 5 2 5 ALA H H 8.0660 0.010 1 6 2 5 ALA C C 177.6040 0.078 1 7 2 5 ALA CA C 52.8098 0.078 1 8 2 5 ALA CB C 19.3857 0.078 1 9 2 5 ALA N N 124.7060 0.120 1 10 3 6 GLY H H 8.3890 0.010 1 11 3 6 GLY C C 174.7920 0.078 1 12 3 6 GLY CA C 45.4944 0.078 1 13 3 6 GLY N N 108.7120 0.120 1 14 4 7 GLY H H 8.1590 0.010 1 15 4 7 GLY C C 173.9410 0.078 1 16 4 7 GLY CA C 45.3692 0.078 1 17 4 7 GLY N N 108.3020 0.120 1 18 5 8 ARG H H 8.1110 0.010 1 19 5 8 ARG C C 175.2050 0.078 1 20 5 8 ARG CA C 56.1514 0.078 1 21 5 8 ARG CB C 31.0854 0.078 1 22 5 8 ARG N N 120.2130 0.120 1 23 6 9 ASN H H 8.0050 0.010 1 24 6 9 ASN CA C 54.1750 0.078 1 25 6 9 ASN CB C 39.2362 0.078 1 26 6 9 ASN N N 125.0100 0.120 1 27 7 10 GLY H H 8.0800 0.010 1 28 7 10 GLY C C 173.5260 0.078 1 29 7 10 GLY CA C 45.4995 0.078 1 30 7 10 GLY N N 108.7160 0.120 1 31 8 11 VAL H H 7.6910 0.010 1 32 8 11 VAL C C 174.4410 0.078 1 33 8 11 VAL CA C 62.2410 0.078 1 34 8 11 VAL CB C 32.6790 0.078 1 35 8 11 VAL N N 119.7130 0.120 1 36 9 12 LYS H H 7.3920 0.010 1 37 9 12 LYS C C 174.1360 0.078 1 38 9 12 LYS CA C 55.1628 0.078 1 39 9 12 LYS CB C 34.7257 0.078 1 40 9 12 LYS N N 124.5990 0.120 1 41 10 13 PHE H H 9.4966 0.010 1 42 10 13 PHE C C 176.5340 0.078 1 43 10 13 PHE CA C 57.5932 0.078 1 44 10 13 PHE CB C 41.8375 0.078 1 45 10 13 PHE N N 119.7330 0.120 1 46 11 14 VAL H H 9.1170 0.010 1 47 11 14 VAL C C 173.6790 0.078 1 48 11 14 VAL CA C 60.4761 0.078 1 49 11 14 VAL N N 123.2110 0.120 1 50 12 15 GLU H H 8.0420 0.010 1 51 12 15 GLU C C 177.3400 0.078 1 52 12 15 GLU CA C 56.0576 0.078 1 53 12 15 GLU N N 131.1600 0.120 1 54 13 16 MET H H 8.4680 0.010 1 55 13 16 MET C C 176.6430 0.078 1 56 13 16 MET CA C 55.0752 0.078 1 57 13 16 MET N N 119.8020 0.120 1 58 14 17 ASP H H 7.7390 0.010 1 59 14 17 ASP C C 171.6150 0.078 1 60 14 17 ASP CA C 53.8444 0.078 1 61 14 17 ASP CB C 40.7287 0.078 1 62 14 17 ASP N N 118.3040 0.120 1 63 15 18 ILE H H 6.9840 0.010 1 64 15 18 ILE C C 177.1110 0.078 1 65 15 18 ILE CA C 57.6582 0.078 1 66 15 18 ILE CB C 39.6062 0.078 1 67 15 18 ILE N N 120.0800 0.120 1 68 16 19 ARG H H 8.0950 0.010 1 69 16 19 ARG C C 176.2290 0.078 1 70 16 19 ARG CA C 56.2086 0.078 1 71 16 19 ARG N N 122.8020 0.120 1 72 17 20 SER H H 7.0840 0.010 1 73 17 20 SER C C 174.3110 0.078 1 74 17 20 SER CA C 57.2625 0.078 1 75 17 20 SER CB C 67.0398 0.078 1 76 17 20 SER N N 110.7130 0.120 1 77 18 21 ARG H H 9.4086 0.010 1 78 18 21 ARG C C 177.7760 0.078 1 79 18 21 ARG CA C 60.1900 0.078 1 80 18 21 ARG N N 126.3430 0.120 1 81 19 22 GLU H H 8.8600 0.010 1 82 19 22 GLU C C 179.2790 0.078 1 83 19 22 GLU CA C 59.9024 0.078 1 84 19 22 GLU CB C 32.0856 0.078 1 85 19 22 GLU N N 117.5480 0.120 1 86 20 23 ALA H H 7.4661 0.010 1 87 20 23 ALA C C 177.6450 0.078 1 88 20 23 ALA CA C 54.3705 0.078 1 89 20 23 ALA CB C 18.8468 0.078 1 90 20 23 ALA N N 119.7130 0.120 1 91 21 24 TYR H H 8.4726 0.010 1 92 21 24 TYR C C 176.1200 0.078 1 93 21 24 TYR CA C 63.1670 0.078 1 94 21 24 TYR CB C 39.1167 0.078 1 95 21 24 TYR N N 122.0850 0.120 1 96 22 25 GLU H H 8.0930 0.010 1 97 22 25 GLU C C 178.0590 0.078 1 98 22 25 GLU CA C 59.0169 0.078 1 99 22 25 GLU CB C 29.1246 0.078 1 100 22 25 GLU N N 115.2220 0.120 1 101 23 26 LEU H H 6.7770 0.010 1 102 23 26 LEU C C 177.6670 0.078 1 103 23 26 LEU CA C 56.7036 0.078 1 104 23 26 LEU N N 117.8300 0.120 1 105 24 27 ALA H H 8.5380 0.010 1 106 24 27 ALA C C 179.5410 0.078 1 107 24 27 ALA CA C 55.7604 0.078 1 108 24 27 ALA CB C 17.8251 0.078 1 109 24 27 ALA N N 120.0660 0.120 1 110 25 28 GLU H H 8.2983 0.010 1 111 25 28 GLU C C 176.6210 0.078 1 112 25 28 GLU CA C 58.0664 0.078 1 113 25 28 GLU CB C 28.6217 0.078 1 114 25 28 GLU N N 113.8020 0.120 1 115 26 29 GLU H H 7.4680 0.010 1 116 26 29 GLU C C 176.0000 0.078 1 117 26 29 GLU CA C 57.6439 0.078 1 118 26 29 GLU CB C 28.5983 0.078 1 119 26 29 GLU N N 115.3700 0.120 1 120 27 30 TRP H H 7.4760 0.010 1 121 27 30 TRP C C 174.5940 0.078 1 122 27 30 TRP CA C 55.1510 0.078 1 123 27 30 TRP N N 118.3020 0.120 1 124 28 31 PHE H H 8.2230 0.010 1 125 28 31 PHE C C 174.0710 0.078 1 126 28 31 PHE CA C 58.1020 0.078 1 127 28 31 PHE CB C 41.6152 0.078 1 128 28 31 PHE N N 118.0770 0.120 1 129 29 32 ASP H H 8.5110 0.010 1 130 29 32 ASP C C 175.9670 0.078 1 131 29 32 ASP CA C 57.6610 0.078 1 132 29 32 ASP CB C 38.7513 0.078 1 133 29 32 ASP N N 118.8560 0.120 1 134 30 33 ASP H H 7.9640 0.010 1 135 30 33 ASP C C 173.2210 0.078 1 136 30 33 ASP CA C 52.6616 0.078 1 137 30 33 ASP CB C 42.9390 0.078 1 138 30 33 ASP N N 114.2130 0.120 1 139 31 34 VAL H H 8.6100 0.010 1 140 31 34 VAL C C 174.2670 0.078 1 141 31 34 VAL CA C 61.0770 0.078 1 142 31 34 VAL N N 121.2120 0.120 1 143 32 35 VAL H H 8.8509 0.010 1 144 32 35 VAL C C 174.2670 0.078 1 145 32 35 VAL CA C 61.6023 0.078 1 146 32 35 VAL N N 130.3230 0.120 1 147 33 36 PHE H H 8.0950 0.010 1 148 33 36 PHE C C 173.0680 0.078 1 149 33 36 PHE CA C 58.0070 0.078 1 150 33 36 PHE CB C 40.3570 0.078 1 151 33 36 PHE N N 126.3830 0.120 1 152 34 37 SER H H 8.1280 0.010 1 153 34 37 SER C C 171.4780 0.078 1 154 34 37 SER CA C 54.9860 0.078 1 155 34 37 SER CB C 64.7404 0.078 1 156 34 37 SER N N 125.7340 0.120 1 157 35 38 TYR H H 9.0800 0.010 1 158 35 38 TYR C C 173.8100 0.078 1 159 35 38 TYR CA C 55.8666 0.078 1 160 35 38 TYR CB C 39.3637 0.078 1 161 35 38 TYR N N 128.8400 0.120 1 162 36 39 GLU H H 7.7140 0.010 1 163 36 39 GLU C C 177.1880 0.078 1 164 36 39 GLU CA C 57.0764 0.078 1 165 36 39 GLU N N 125.7440 0.120 1 166 37 40 ILE H H 8.6990 0.010 1 167 37 40 ILE CA C 58.4242 0.078 1 168 37 40 ILE N N 124.2140 0.120 1 169 39 42 PRO C C 177.2740 0.078 1 170 39 42 PRO CA C 63.3415 0.078 1 171 39 42 PRO CB C 33.8874 0.078 1 172 40 43 GLY H H 8.6720 0.010 1 173 40 43 GLY C C 170.6710 0.078 1 174 40 43 GLY CA C 44.7103 0.078 1 175 40 43 GLY N N 112.2230 0.120 1 176 41 44 VAL H H 7.7230 0.010 1 177 41 44 VAL C C 175.3790 0.078 1 178 41 44 VAL CA C 59.6666 0.078 1 179 41 44 VAL CB C 35.2135 0.078 1 180 41 44 VAL N N 111.7290 0.120 1 181 42 45 LEU H H 8.5950 0.010 1 182 42 45 LEU C C 174.2890 0.078 1 183 42 45 LEU CA C 53.6264 0.078 1 184 42 45 LEU CB C 39.6901 0.078 1 185 42 45 LEU N N 124.7450 0.120 1 186 43 46 ASP H H 7.1390 0.010 1 187 43 46 ASP C C 175.6400 0.078 1 188 43 46 ASP CA C 52.8388 0.078 1 189 43 46 ASP CB C 45.0129 0.078 1 190 43 46 ASP N N 125.2840 0.120 1 191 44 47 LYS H H 9.1040 0.010 1 192 44 47 LYS C C 177.8630 0.078 1 193 44 47 LYS CA C 60.2976 0.078 1 194 44 47 LYS CB C 32.7083 0.078 1 195 44 47 LYS N N 125.9560 0.120 1 196 45 48 GLU H H 8.3000 0.010 1 197 45 48 GLU C C 179.0620 0.078 1 198 45 48 GLU CA C 59.0331 0.078 1 199 45 48 GLU CB C 28.5404 0.078 1 200 45 48 GLU N N 119.6320 0.120 1 201 46 49 ARG H H 8.0940 0.010 1 202 46 49 ARG C C 179.3670 0.078 1 203 46 49 ARG CA C 58.2501 0.078 1 204 46 49 ARG CB C 29.6488 0.078 1 205 46 49 ARG N N 120.6770 0.120 1 206 47 50 LEU H H 8.0030 0.010 1 207 47 50 LEU C C 179.0180 0.078 1 208 47 50 LEU CA C 57.8524 0.078 1 209 47 50 LEU CB C 45.3724 0.078 1 210 47 50 LEU N N 117.7700 0.120 1 211 48 51 LYS H H 7.7495 0.010 1 212 48 51 LYS C C 179.0620 0.078 1 213 48 51 LYS CA C 59.5079 0.078 1 214 48 51 LYS CB C 29.5742 0.078 1 215 48 51 LYS N N 120.7200 0.120 1 216 49 52 GLU H H 7.4740 0.010 1 217 49 52 GLU C C 178.8630 0.078 1 218 49 52 GLU CA C 59.1775 0.078 1 219 49 52 GLU CB C 28.6484 0.078 1 220 49 52 GLU N N 119.8060 0.120 1 221 50 53 ILE H H 7.7050 0.010 1 222 50 53 ILE C C 178.0590 0.078 1 223 50 53 ILE CA C 64.3075 0.078 1 224 50 53 ILE N N 120.0840 0.120 1 225 51 54 LYS H H 8.4660 0.010 1 226 51 54 LYS C C 178.8650 0.078 1 227 51 54 LYS CA C 59.6656 0.078 1 228 51 54 LYS CB C 32.2189 0.078 1 229 51 54 LYS N N 121.4410 0.120 1 230 52 55 LYS H H 7.8490 0.010 1 231 52 55 LYS C C 177.6890 0.078 1 232 52 55 LYS CA C 59.2350 0.078 1 233 52 55 LYS CB C 32.1162 0.078 1 234 52 55 LYS N N 119.6060 0.120 1 235 53 56 GLU H H 7.2480 0.010 1 236 53 56 GLU C C 177.2330 0.078 1 237 53 56 GLU CA C 58.2542 0.078 1 238 53 56 GLU CB C 29.3281 0.078 1 239 53 56 GLU N N 116.6980 0.120 1 240 54 57 TYR H H 7.6920 0.010 1 241 54 57 TYR C C 177.3840 0.078 1 242 54 57 TYR CA C 59.1338 0.078 1 243 54 57 TYR CB C 41.4154 0.078 1 244 54 57 TYR N N 113.7180 0.120 1 245 55 58 GLY H H 8.6296 0.010 1 246 55 58 GLY C C 173.8100 0.078 1 247 55 58 GLY CA C 47.6228 0.078 1 248 55 58 GLY N N 110.9000 0.120 1 249 56 59 ASN H H 8.2267 0.010 1 250 56 59 ASN C C 173.0910 0.078 1 251 56 59 ASN CA C 52.8560 0.078 1 252 56 59 ASN CB C 40.9994 0.078 1 253 56 59 ASN N N 122.3230 0.120 1 254 57 60 VAL H H 8.2000 0.010 1 255 57 60 VAL C C 173.7880 0.078 1 256 57 60 VAL CA C 60.4741 0.078 1 257 57 60 VAL N N 123.0620 0.120 1 258 58 61 ALA H H 9.1750 0.010 1 259 58 61 ALA C C 175.5690 0.078 1 260 58 61 ALA CA C 49.0710 0.078 1 261 58 61 ALA CB C 20.8872 0.078 1 262 58 61 ALA N N 129.2520 0.120 1 263 59 62 ILE H H 8.9950 0.010 1 264 59 62 ILE C C 173.9840 0.078 1 265 59 62 ILE CA C 61.5854 0.078 1 266 59 62 ILE N N 123.2570 0.120 1 267 60 63 THR H H 8.4300 0.010 1 268 60 63 THR C C 173.2430 0.078 1 269 60 63 THR CA C 61.8325 0.078 1 270 60 63 THR N N 127.0820 0.120 1 271 61 64 LEU H H 8.7260 0.010 1 272 61 64 LEU C C 176.4090 0.078 1 273 61 64 LEU CA C 53.6172 0.078 1 274 61 64 LEU CB C 41.3759 0.078 1 275 61 64 LEU N N 126.2870 0.120 1 276 62 65 ILE H H 8.3600 0.010 1 277 62 65 ILE C C 176.5990 0.078 1 278 62 65 ILE CA C 59.5728 0.078 1 279 62 65 ILE N N 126.1450 0.120 1 280 63 66 ASN H H 9.3800 0.010 1 281 63 66 ASN CA C 54.7175 0.078 1 282 63 66 ASN N N 125.1330 0.120 1 283 67 70 SER C C 176.5120 0.078 1 284 67 70 SER CA C 61.4156 0.078 1 285 68 71 LEU H H 7.2920 0.010 1 286 68 71 LEU C C 178.2770 0.078 1 287 68 71 LEU CA C 57.2206 0.078 1 288 68 71 LEU N N 124.3020 0.120 1 289 69 72 VAL H H 7.2290 0.010 1 290 69 72 VAL C C 177.3840 0.078 1 291 69 72 VAL CA C 67.1117 0.078 1 292 69 72 VAL N N 118.0230 0.120 1 293 70 73 LYS H H 8.1850 0.010 1 294 70 73 LYS C C 179.4770 0.078 1 295 70 73 LYS CA C 60.5739 0.078 1 296 70 73 LYS N N 117.3020 0.120 1 297 71 74 GLU H H 7.7960 0.010 1 298 71 74 GLU C C 178.2770 0.078 1 299 71 74 GLU CA C 59.5667 0.078 1 300 71 74 GLU CB C 29.8263 0.078 1 301 71 74 GLU N N 119.0100 0.120 1 302 72 75 ALA H H 8.5830 0.010 1 303 72 75 ALA C C 179.6070 0.078 1 304 72 75 ALA CA C 55.8927 0.078 1 305 72 75 ALA CB C 18.6032 0.078 1 306 72 75 ALA N N 120.2130 0.120 1 307 73 76 VAL H H 8.3510 0.010 1 308 73 76 VAL C C 178.1680 0.078 1 309 73 76 VAL CA C 66.6642 0.078 1 310 73 76 VAL N N 115.2130 0.120 1 311 74 77 GLN H H 8.3910 0.010 1 312 74 77 GLN C C 178.3210 0.078 1 313 74 77 GLN CA C 59.4018 0.078 1 314 74 77 GLN CB C 29.0759 0.078 1 315 74 77 GLN N N 117.6870 0.120 1 316 75 78 ARG H H 8.1300 0.010 1 317 75 78 ARG C C 178.3210 0.078 1 318 75 78 ARG CA C 57.7956 0.078 1 319 75 78 ARG CB C 32.3435 0.078 1 320 75 78 ARG N N 112.7210 0.120 1 321 76 79 PHE H H 8.0768 0.010 1 322 76 79 PHE C C 176.0540 0.078 1 323 76 79 PHE CA C 59.2118 0.078 1 324 76 79 PHE CB C 41.3492 0.078 1 325 76 79 PHE N N 113.7000 0.120 1 326 77 80 LYS H H 7.6490 0.010 1 327 77 80 LYS C C 176.5620 0.078 1 328 77 80 LYS CA C 59.6089 0.078 1 329 77 80 LYS CB C 33.6196 0.078 1 330 77 80 LYS N N 120.5550 0.120 1 331 78 81 GLN H H 8.4420 0.010 1 332 78 81 GLN C C 176.0320 0.078 1 333 78 81 GLN CA C 59.1109 0.078 1 334 78 81 GLN CB C 28.5235 0.078 1 335 78 81 GLN N N 113.2140 0.120 1 336 79 82 ASN H H 7.4620 0.010 1 337 79 82 ASN C C 172.4800 0.078 1 338 79 82 ASN CA C 53.3037 0.078 1 339 79 82 ASN CB C 42.9146 0.078 1 340 79 82 ASN N N 111.0700 0.120 1 341 80 83 TYR H H 8.0160 0.010 1 342 80 83 TYR C C 174.5720 0.078 1 343 80 83 TYR CA C 57.4662 0.078 1 344 80 83 TYR CB C 41.4065 0.078 1 345 80 83 TYR N N 118.2130 0.120 1 346 81 84 LEU H H 7.5570 0.010 1 347 81 84 LEU C C 176.7740 0.078 1 348 81 84 LEU CA C 54.4632 0.078 1 349 81 84 LEU N N 117.8940 0.120 1 350 82 85 ILE H H 10.0227 0.010 1 351 82 85 ILE C C 175.6520 0.078 1 352 82 85 ILE CA C 59.5722 0.078 1 353 82 85 ILE N N 120.5080 0.120 1 354 83 86 TYR H H 9.6670 0.010 1 355 83 86 TYR C C 176.2070 0.078 1 356 83 86 TYR CA C 51.6684 0.078 1 357 83 86 TYR CB C 39.9240 0.078 1 358 83 86 TYR N N 128.1660 0.120 1 359 84 87 VAL H H 8.3620 0.010 1 360 84 87 VAL C C 173.4610 0.078 1 361 84 87 VAL CA C 61.3216 0.078 1 362 84 87 VAL N N 118.2580 0.120 1 363 85 88 GLU H H 8.8030 0.010 1 364 85 88 GLU C C 173.8970 0.078 1 365 85 88 GLU CA C 54.9816 0.078 1 366 85 88 GLU CB C 31.8010 0.078 1 367 85 88 GLU N N 129.7560 0.120 1 368 86 89 SER H H 7.8240 0.010 1 369 86 89 SER C C 173.1120 0.078 1 370 86 89 SER CA C 57.2869 0.078 1 371 86 89 SER CB C 65.2712 0.078 1 372 86 89 SER N N 117.6230 0.120 1 373 87 90 SER H H 8.2770 0.010 1 374 87 90 SER C C 172.7850 0.078 1 375 87 90 SER CA C 57.3468 0.078 1 376 87 90 SER CB C 64.6486 0.078 1 377 87 90 SER N N 119.3020 0.120 1 378 88 91 ASP H H 8.4430 0.010 1 379 88 91 ASP C C 177.0130 0.078 1 380 88 91 ASP CA C 52.8360 0.078 1 381 88 91 ASP N N 123.3800 0.120 1 382 89 92 LEU H H 8.6450 0.010 1 383 89 92 LEU C C 178.3860 0.078 1 384 89 92 LEU CA C 57.9548 0.078 1 385 89 92 LEU CB C 40.8038 0.078 1 386 89 92 LEU N N 126.4150 0.120 1 387 90 93 ARG H H 8.4200 0.010 1 388 90 93 ARG C C 179.8460 0.078 1 389 90 93 ARG CA C 59.8865 0.078 1 390 90 93 ARG CB C 29.4470 0.078 1 391 90 93 ARG N N 119.8020 0.120 1 392 91 94 VAL H H 7.4560 0.010 1 393 91 94 VAL C C 179.5850 0.078 1 394 91 94 VAL CA C 66.6170 0.078 1 395 91 94 VAL N N 121.9230 0.120 1 396 92 95 VAL H H 8.7700 0.010 1 397 92 95 VAL C C 177.0570 0.078 1 398 92 95 VAL CA C 68.5490 0.078 1 399 92 95 VAL N N 124.6990 0.120 1 400 93 96 ARG H H 8.2380 0.010 1 401 93 96 ARG C C 177.2470 0.078 1 402 93 96 ARG CA C 60.6994 0.078 1 403 93 96 ARG N N 118.7130 0.120 1 404 94 97 TYR H H 7.8670 0.010 1 405 94 97 TYR C C 177.2960 0.078 1 406 94 97 TYR CA C 61.8820 0.078 1 407 94 97 TYR CB C 39.1752 0.078 1 408 94 97 TYR N N 118.6430 0.120 1 409 95 98 SER H H 8.5090 0.010 1 410 95 98 SER C C 175.6840 0.078 1 411 95 98 SER CA C 63.4110 0.078 1 412 95 98 SER N N 114.3680 0.120 1 413 96 99 ILE H H 7.9720 0.010 1 414 96 99 ILE C C 177.9070 0.078 1 415 96 99 ILE CA C 65.3238 0.078 1 416 96 99 ILE N N 123.4070 0.120 1 417 97 100 GLU H H 7.9570 0.010 1 418 97 100 GLU C C 178.8440 0.078 1 419 97 100 GLU CA C 59.6473 0.078 1 420 97 100 GLU CB C 29.1757 0.078 1 421 97 100 GLU N N 118.2330 0.120 1 422 98 101 ARG H H 7.8960 0.010 1 423 98 101 ARG C C 176.6860 0.078 1 424 98 101 ARG CA C 55.2681 0.078 1 425 98 101 ARG CB C 31.0191 0.078 1 426 98 101 ARG N N 114.7130 0.120 1 427 99 102 GLY H H 7.7690 0.010 1 428 99 102 GLY C C 175.4000 0.078 1 429 99 102 GLY CA C 47.4396 0.078 1 430 99 102 GLY N N 106.3330 0.120 1 431 100 103 VAL H H 6.8880 0.010 1 432 100 103 VAL C C 173.7010 0.078 1 433 100 103 VAL CA C 62.7870 0.078 1 434 100 103 VAL N N 109.2090 0.120 1 435 101 104 ASP H H 8.9690 0.010 1 436 101 104 ASP C C 177.6670 0.078 1 437 101 104 ASP CA C 58.3880 0.078 1 438 101 104 ASP CB C 43.0054 0.078 1 439 101 104 ASP N N 117.2080 0.120 1 440 102 105 ALA H H 7.9120 0.010 1 441 102 105 ALA C C 176.2720 0.078 1 442 102 105 ALA CA C 51.3755 0.078 1 443 102 105 ALA CB C 23.0922 0.078 1 444 102 105 ALA N N 115.7140 0.120 1 445 103 106 VAL H H 8.4320 0.010 1 446 103 106 VAL C C 174.4200 0.078 1 447 103 106 VAL CA C 59.9475 0.078 1 448 103 106 VAL N N 118.3900 0.120 1 449 104 107 ILE H H 8.7230 0.010 1 450 104 107 ILE CA C 59.5497 0.078 1 451 104 107 ILE N N 125.6740 0.120 1 452 106 109 PRO CA C 63.8589 0.078 1 453 106 109 PRO CB C 31.8421 0.078 1 454 107 110 TRP C C 177.0130 0.078 1 455 107 110 TRP CA C 57.4370 0.078 1 456 108 111 ALA H H 7.1580 0.010 1 457 108 111 ALA C C 177.8660 0.078 1 458 108 111 ALA CA C 54.9257 0.078 1 459 108 111 ALA CB C 18.3380 0.078 1 460 108 111 ALA N N 125.4380 0.120 1 461 109 112 ASN H H 8.1630 0.010 1 462 109 112 ASN C C 174.1800 0.078 1 463 109 112 ASN CA C 53.1754 0.078 1 464 109 112 ASN CB C 38.8275 0.078 1 465 109 112 ASN N N 114.2140 0.120 1 466 110 113 ARG H H 7.6330 0.010 1 467 110 113 ARG C C 175.1610 0.078 1 468 110 113 ARG CA C 55.6231 0.078 1 469 110 113 ARG N N 116.7120 0.120 1 470 111 114 LYS H H 8.3170 0.010 1 471 111 114 LYS C C 175.1170 0.078 1 472 111 114 LYS CA C 55.3026 0.078 1 473 111 114 LYS CB C 31.7433 0.078 1 474 111 114 LYS N N 118.5190 0.120 1 475 112 115 ASP H H 7.0700 0.010 1 476 112 115 ASP C C 173.2890 0.078 1 477 112 115 ASP CA C 53.1702 0.078 1 478 112 115 ASP N N 115.7150 0.120 1 479 113 116 GLN H H 7.8680 0.010 1 480 113 116 GLN C C 176.1170 0.078 1 481 113 116 GLN CA C 57.2474 0.078 1 482 113 116 GLN N N 111.8020 0.120 1 483 114 117 GLY H H 8.9090 0.010 1 484 114 117 GLY C C 172.5460 0.078 1 485 114 117 GLY CA C 46.6814 0.078 1 486 114 117 GLY N N 110.2130 0.120 1 487 115 118 ILE H H 7.6830 0.010 1 488 115 118 ILE C C 172.3720 0.078 1 489 115 118 ILE CA C 61.3316 0.078 1 490 115 118 ILE N N 116.2120 0.120 1 491 116 119 ASP H H 6.8930 0.010 1 492 116 119 ASP CA C 52.1301 0.078 1 493 116 119 ASP N N 122.6110 0.120 1 494 117 120 HIS C C 176.1410 0.078 1 495 117 120 HIS CA C 60.3370 0.078 1 496 117 120 HIS CB C 33.1245 0.078 1 497 118 121 VAL H H 6.9070 0.010 1 498 118 121 VAL C C 178.9740 0.078 1 499 118 121 VAL CA C 66.3356 0.078 1 500 118 121 VAL N N 120.6660 0.120 1 501 119 122 LEU H H 8.6240 0.010 1 502 119 122 LEU C C 178.3860 0.078 1 503 119 122 LEU CA C 57.8655 0.078 1 504 119 122 LEU CB C 42.1665 0.078 1 505 119 122 LEU N N 119.9080 0.120 1 506 120 123 ALA H H 8.4690 0.010 1 507 120 123 ALA C C 178.5070 0.078 1 508 120 123 ALA CA C 55.5616 0.078 1 509 120 123 ALA CB C 18.2290 0.078 1 510 120 123 ALA N N 119.8019 0.120 1 511 121 124 ARG H H 7.3469 0.010 1 512 121 124 ARG C C 178.1460 0.078 1 513 121 124 ARG CA C 60.1615 0.078 1 514 121 124 ARG CB C 30.0802 0.078 1 515 121 124 ARG N N 116.3020 0.120 1 516 122 125 MET H H 7.7750 0.010 1 517 122 125 MET C C 178.3430 0.078 1 518 122 125 MET CA C 59.4396 0.078 1 519 122 125 MET N N 118.8020 0.120 1 520 123 126 MET H H 8.5960 0.010 1 521 123 126 MET C C 178.6260 0.078 1 522 123 126 MET CA C 61.0822 0.078 1 523 123 126 MET N N 118.7130 0.120 1 524 124 127 ASN H H 7.9230 0.010 1 525 124 127 ASN C C 175.5750 0.078 1 526 124 127 ASN CA C 58.0994 0.078 1 527 124 127 ASN CB C 39.6811 0.078 1 528 124 127 ASN N N 116.7130 0.120 1 529 125 128 LYS H H 8.1950 0.010 1 530 125 128 LYS C C 178.5170 0.078 1 531 125 128 LYS CA C 59.1258 0.078 1 532 125 128 LYS CB C 32.3864 0.078 1 533 125 128 LYS N N 121.4330 0.120 1 534 126 129 ARG H H 8.0690 0.010 1 535 126 129 ARG C C 176.1610 0.078 1 536 126 129 ARG CA C 54.7971 0.078 1 537 126 129 ARG CB C 30.7862 0.078 1 538 126 129 ARG N N 114.2130 0.120 1 539 127 130 GLY H H 7.8250 0.010 1 540 127 130 GLY C C 174.1800 0.078 1 541 127 130 GLY CA C 47.1666 0.078 1 542 127 130 GLY N N 110.3020 0.120 1 543 128 131 VAL H H 8.2480 0.010 1 544 128 131 VAL C C 173.1780 0.078 1 545 128 131 VAL CA C 62.3410 0.078 1 546 128 131 VAL N N 122.8080 0.120 1 547 129 132 ALA H H 7.7860 0.010 1 548 129 132 ALA C C 175.7930 0.078 1 549 129 132 ALA CA C 50.2542 0.078 1 550 129 132 ALA CB C 20.8211 0.078 1 551 129 132 ALA N N 124.3350 0.120 1 552 130 133 LEU H H 8.1330 0.010 1 553 130 133 LEU C C 175.0950 0.078 1 554 130 133 LEU CA C 52.5130 0.078 1 555 130 133 LEU N N 120.1920 0.120 1 556 131 134 GLY H H 8.5574 0.010 1 557 131 134 GLY C C 172.1320 0.078 1 558 131 134 GLY CA C 44.1608 0.078 1 559 131 134 GLY N N 111.1890 0.120 1 560 132 135 PHE H H 8.7180 0.010 1 561 132 135 PHE C C 174.6600 0.078 1 562 132 135 PHE CA C 57.9001 0.078 1 563 132 135 PHE N N 124.2150 0.120 1 564 133 136 SER H H 7.2080 0.010 1 565 133 136 SER C C 175.3350 0.078 1 566 133 136 SER CA C 57.4422 0.078 1 567 133 136 SER N N 115.5950 0.120 1 568 134 137 LEU H H 8.7250 0.010 1 569 134 137 LEU C C 177.4710 0.078 1 570 134 137 LEU CA C 57.1010 0.078 1 571 134 137 LEU N N 123.0580 0.120 1 572 135 138 ARG H H 6.9850 0.010 1 573 135 138 ARG CA C 61.8082 0.078 1 574 135 138 ARG N N 115.7130 0.120 1 575 144 147 GLU C C 179.6912 0.078 1 576 144 147 GLU CA C 58.9364 0.078 1 577 144 147 GLU CB C 29.5922 0.078 1 578 145 148 ARG H H 8.6900 0.010 1 579 145 148 ARG C C 177.6510 0.078 1 580 145 148 ARG CA C 59.2692 0.078 1 581 145 148 ARG N N 120.2200 0.120 1 582 146 149 ALA H H 7.7060 0.010 1 583 146 149 ALA C C 180.8270 0.078 1 584 146 149 ALA CA C 55.2923 0.078 1 585 146 149 ALA CB C 17.6714 0.078 1 586 146 149 ALA N N 119.8540 0.120 1 587 147 150 ASN H H 7.4510 0.010 1 588 147 150 ASN C C 175.2700 0.078 1 589 147 150 ASN CA C 55.8449 0.078 1 590 147 150 ASN N N 116.8780 0.120 1 591 148 151 ALA H H 8.0910 0.010 1 592 148 151 ALA C C 180.2890 0.078 1 593 148 151 ALA CA C 55.9098 0.078 1 594 148 151 ALA CB C 18.7084 0.078 1 595 148 151 ALA N N 122.3380 0.120 1 596 149 152 LEU H H 8.4720 0.010 1 597 149 152 LEU CA C 58.2853 0.078 1 598 149 152 LEU N N 117.2130 0.120 1 599 154 157 LYS C C 179.5850 0.078 1 600 154 157 LYS CA C 59.8565 0.078 1 601 154 157 LYS CB C 32.2581 0.078 1 602 155 158 ALA H H 8.4050 0.010 1 603 155 158 ALA C C 179.4760 0.078 1 604 155 158 ALA CA C 55.8599 0.078 1 605 155 158 ALA CB C 18.5978 0.078 1 606 155 158 ALA N N 121.2130 0.120 1 607 156 159 TRP H H 8.9890 0.010 1 608 156 159 TRP C C 176.0980 0.078 1 609 156 159 TRP CA C 59.6616 0.078 1 610 156 159 TRP N N 119.1860 0.120 1 611 157 160 THR H H 8.0720 0.010 1 612 157 160 THR C C 177.0790 0.078 1 613 157 160 THR CA C 66.9248 0.078 1 614 157 160 THR N N 112.7130 0.120 1 615 158 161 LEU H H 7.0830 0.010 1 616 158 161 LEU C C 178.9530 0.078 1 617 158 161 LEU CA C 57.9847 0.078 1 618 158 161 LEU N N 120.1870 0.120 1 619 159 162 VAL H H 8.4760 0.010 1 620 159 162 VAL C C 177.4710 0.078 1 621 159 162 VAL CA C 66.0230 0.078 1 622 159 162 VAL N N 119.8130 0.120 1 623 160 163 ASN H H 8.2490 0.010 1 624 160 163 ASN C C 177.8850 0.078 1 625 160 163 ASN CA C 54.9178 0.078 1 626 160 163 ASN N N 116.2250 0.120 1 627 161 164 LYS H H 7.4460 0.010 1 628 161 164 LYS C C 177.6890 0.078 1 629 161 164 LYS CA C 59.3630 0.078 1 630 161 164 LYS CB C 32.5890 0.078 1 631 161 164 LYS N N 119.2130 0.120 1 632 162 165 TYR H H 7.8370 0.010 1 633 162 165 TYR C C 173.6350 0.078 1 634 162 165 TYR CA C 58.9442 0.078 1 635 162 165 TYR CB C 37.3776 0.078 1 636 162 165 TYR N N 112.1440 0.120 1 637 163 166 LYS H H 7.4950 0.010 1 638 163 166 LYS C C 176.2720 0.078 1 639 163 166 LYS CA C 56.9538 0.078 1 640 163 166 LYS CB C 28.7050 0.078 1 641 163 166 LYS N N 116.7270 0.120 1 642 164 167 VAL H H 8.6750 0.010 1 643 164 167 VAL CA C 60.9911 0.078 1 644 164 167 VAL N N 123.2180 0.120 1 645 165 168 PRO C C 179.4100 0.078 1 646 165 168 PRO CA C 63.8632 0.078 1 647 165 168 PRO CB C 32.9345 0.078 1 648 166 169 ARG H H 5.9820 0.010 1 649 166 169 ARG C C 171.5210 0.078 1 650 166 169 ARG CA C 54.9960 0.078 1 651 166 169 ARG N N 116.8020 0.120 1 652 167 170 PHE H H 8.0790 0.010 1 653 167 170 PHE C C 173.4170 0.078 1 654 167 170 PHE CA C 55.6084 0.078 1 655 167 170 PHE CB C 39.8418 0.078 1 656 167 170 PHE N N 111.2130 0.120 1 657 168 171 ILE H H 7.2010 0.010 1 658 168 171 ILE C C 173.7220 0.078 1 659 168 171 ILE CA C 59.9911 0.078 1 660 168 171 ILE N N 119.6890 0.120 1 661 169 172 SER H H 8.5872 0.010 1 662 169 172 SER CA C 56.4260 0.078 1 663 169 172 SER N N 117.6660 0.120 1 664 173 176 LYS C C 176.2940 0.078 1 665 173 176 LYS CA C 56.5153 0.078 1 666 173 176 LYS CB C 32.8610 0.078 1 667 174 177 GLY H H 7.4956 0.010 1 668 174 177 GLY C C 174.4630 0.078 1 669 174 177 GLY CA C 44.5822 0.078 1 670 174 177 GLY N N 105.7320 0.120 1 671 175 178 LYS H H 9.1870 0.010 1 672 175 178 LYS CA C 60.4237 0.078 1 673 175 178 LYS N N 122.7120 0.120 1 674 177 180 GLN C C 174.1100 0.078 1 675 177 180 GLN CA C 55.1056 0.078 1 676 177 180 GLN CB C 28.8234 0.078 1 677 178 181 VAL H H 6.9910 0.010 1 678 178 181 VAL C C 175.7930 0.078 1 679 178 181 VAL CA C 63.6504 0.078 1 680 178 181 VAL N N 120.2280 0.120 1 681 179 182 ARG H H 8.6330 0.010 1 682 179 182 ARG C C 176.1410 0.078 1 683 179 182 ARG CA C 52.2728 0.078 1 684 179 182 ARG N N 123.2090 0.120 1 685 180 183 GLY H H 7.5220 0.010 1 686 180 183 GLY C C 172.6110 0.078 1 687 180 183 GLY CA C 44.5766 0.078 1 688 180 183 GLY N N 103.7680 0.120 1 689 181 184 VAL H H 7.7860 0.010 1 690 181 184 VAL C C 177.9700 0.078 1 691 181 184 VAL CA C 67.5208 0.078 1 692 181 184 VAL N N 117.1810 0.120 1 693 182 185 LYS H H 7.8030 0.010 1 694 182 185 LYS C C 178.9920 0.078 1 695 182 185 LYS CA C 59.4651 0.078 1 696 182 185 LYS N N 117.3020 0.120 1 697 183 186 GLU H H 7.4700 0.010 1 698 183 186 GLU C C 176.0540 0.078 1 699 183 186 GLU CA C 60.3184 0.078 1 700 183 186 GLU N N 119.8040 0.120 1 701 184 187 LEU H H 7.8450 0.010 1 702 184 187 LEU CA C 55.9117 0.078 1 703 184 187 LEU N N 118.7910 0.120 1 704 185 188 ILE C C 177.1000 0.078 1 705 185 188 ILE CA C 66.8157 0.078 1 706 186 189 SER H H 7.9562 0.010 1 707 186 189 SER CA C 61.5198 0.078 1 708 186 189 SER N N 109.2100 0.120 1 709 187 190 LEU H H 8.2490 0.010 1 710 187 190 LEU C C 176.7950 0.078 1 711 187 190 LEU CA C 58.2230 0.078 1 712 187 190 LEU N N 120.2130 0.120 1 713 188 191 GLY H H 7.4475 0.010 1 714 188 191 GLY C C 173.2310 0.078 1 715 188 191 GLY CA C 48.3006 0.078 1 716 188 191 GLY N N 106.1000 0.120 1 717 189 192 ILE H H 8.1030 0.010 1 718 189 192 ILE C C 179.7590 0.078 1 719 189 192 ILE CA C 62.8872 0.078 1 720 189 192 ILE N N 122.3040 0.120 1 721 190 193 ALA H H 7.4910 0.010 1 722 190 193 ALA C C 179.5410 0.078 1 723 190 193 ALA CA C 54.8820 0.078 1 724 190 193 ALA N N 124.2070 0.120 1 725 191 194 ILE H H 7.2070 0.010 1 726 191 194 ILE C C 173.3080 0.078 1 727 191 194 ILE CA C 61.6402 0.078 1 728 191 194 ILE N N 111.0520 0.120 1 729 192 195 GLY H H 7.1860 0.010 1 730 192 195 GLY C C 175.4220 0.078 1 731 192 195 GLY CA C 44.5286 0.078 1 732 192 195 GLY N N 103.8400 0.120 1 733 193 196 MET H H 7.5690 0.010 1 734 193 196 MET C C 176.7510 0.078 1 735 193 196 MET CA C 56.5762 0.078 1 736 193 196 MET N N 119.2270 0.120 1 737 194 197 GLU H H 8.4670 0.010 1 738 194 197 GLU C C 178.6480 0.078 1 739 194 197 GLU CA C 55.9844 0.078 1 740 194 197 GLU N N 118.5410 0.120 1 741 195 198 GLU H H 9.1200 0.010 1 742 195 198 GLU C C 178.5380 0.078 1 743 195 198 GLU CA C 61.6136 0.078 1 744 195 198 GLU N N 125.3650 0.120 1 745 196 199 VAL H H 8.5670 0.010 1 746 196 199 VAL C C 178.3210 0.078 1 747 196 199 VAL CA C 66.2527 0.078 1 748 196 199 VAL N N 114.7140 0.120 1 749 197 200 GLN H H 6.8990 0.010 1 750 197 200 GLN C C 179.4540 0.078 1 751 197 200 GLN CA C 57.8408 0.078 1 752 197 200 GLN N N 120.1970 0.120 1 753 198 201 ALA H H 8.4250 0.010 1 754 198 201 ALA C C 179.5190 0.078 1 755 198 201 ALA CA C 55.2750 0.078 1 756 198 201 ALA CB C 19.0579 0.078 1 757 198 201 ALA N N 126.7220 0.120 1 758 199 202 LYS H H 8.6160 0.010 1 759 199 202 LYS C C 181.1320 0.078 1 760 199 202 LYS CA C 61.3032 0.078 1 761 199 202 LYS CB C 32.4496 0.078 1 762 199 202 LYS N N 117.2060 0.120 1 763 200 203 ALA H H 8.2320 0.010 1 764 200 203 ALA C C 180.3040 0.078 1 765 200 203 ALA CA C 55.9930 0.078 1 766 200 203 ALA CB C 18.5377 0.078 1 767 200 203 ALA N N 123.1830 0.120 1 768 201 204 SER H H 7.9740 0.010 1 769 201 204 SER C C 172.2190 0.078 1 770 201 204 SER CA C 61.9964 0.078 1 771 201 204 SER N N 115.7450 0.120 1 772 202 205 LEU H H 7.5130 0.010 1 773 202 205 LEU C C 175.3220 0.078 1 774 202 205 LEU CA C 54.5232 0.078 1 775 202 205 LEU N N 118.2490 0.120 1 776 203 206 SER H H 7.7370 0.010 1 777 203 206 SER C C 173.3730 0.078 1 778 203 206 SER CA C 57.8548 0.078 1 779 203 206 SER CB C 65.6034 0.078 1 780 203 206 SER N N 113.2120 0.120 1 781 204 207 PHE H H 8.1715 0.010 1 782 204 207 PHE C C 177.5580 0.078 1 783 204 207 PHE CA C 62.2868 0.078 1 784 204 207 PHE CB C 40.4063 0.078 1 785 204 207 PHE N N 123.5800 0.120 1 786 205 208 TYR H H 8.7010 0.010 1 787 205 208 TYR CA C 64.7244 0.078 1 788 205 208 TYR N N 114.7120 0.120 1 789 206 209 PRO C C 177.2740 0.078 1 790 206 209 PRO CA C 67.6333 0.078 1 791 207 210 LEU H H 8.3650 0.010 1 792 207 210 LEU C C 179.4760 0.078 1 793 207 210 LEU CA C 58.4898 0.078 1 794 207 210 LEU CB C 41.3813 0.078 1 795 207 210 LEU N N 115.7190 0.120 1 796 208 211 GLY H H 7.8210 0.010 1 797 208 211 GLY C C 175.9670 0.078 1 798 208 211 GLY CA C 46.8006 0.078 1 799 208 211 GLY N N 106.3260 0.120 1 800 209 212 ILE H H 7.6760 0.010 1 801 209 212 ILE C C 177.4850 0.078 1 802 209 212 ILE CA C 64.7312 0.078 1 803 209 212 ILE N N 122.6620 0.120 1 804 210 213 LEU H H 8.0630 0.010 1 805 210 213 LEU C C 179.1490 0.078 1 806 210 213 LEU CA C 57.5620 0.078 1 807 210 213 LEU CB C 42.6572 0.078 1 808 210 213 LEU N N 117.3090 0.120 1 809 211 214 GLU H H 7.7160 0.010 1 810 211 214 GLU C C 177.1880 0.078 1 811 211 214 GLU CA C 58.4606 0.078 1 812 211 214 GLU CB C 28.6379 0.078 1 813 211 214 GLU N N 116.7520 0.120 1 814 212 215 ARG H H 7.4700 0.010 1 815 212 215 ARG C C 176.9690 0.078 1 816 212 215 ARG CA C 58.1636 0.078 1 817 212 215 ARG CB C 28.6681 0.078 1 818 212 215 ARG N N 115.9290 0.120 1 819 213 216 LEU H H 7.5460 0.010 1 820 213 216 LEU C C 176.1640 0.078 1 821 213 216 LEU CA C 54.9500 0.078 1 822 213 216 LEU CB C 42.3174 0.078 1 823 213 216 LEU N N 120.2130 0.120 1 824 214 217 LYS H H 7.4660 0.010 1 825 214 217 LYS CA C 57.6107 0.078 1 stop_ save_