data_17189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Pfu Rpp30 Free ; _BMRB_accession_number 17189 _BMRB_flat_file_name bmr17189.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 'Assignments for Free Rpp30 from Pfu' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowe Brandon L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 194 "13C chemical shifts" 570 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17190 'RPP30/Pop5 complex' 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 Rpp30 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rpp30 $Rpp30 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_Rpp30 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpp30 _Molecular_mass . _Mol_thiol_state 'not present' _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 17190 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_ #################### # 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 'Protein cloned into pET33b' 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 500 uM '[U-100% 13C; U-100% 15N]' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' DSS 66.67 uM '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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . 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 . 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 CBCA(CO)NH' '3D HNCACB' '3D HNCA' 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 175.3520 0.042 1 2 1 4 MET CA C 55.3820 0.042 1 3 1 4 MET CB C 33.0220 0.042 1 4 1 4 MET N N 122.8030 0.045 1 5 2 5 ALA H H 8.0000 0.004 1 6 2 5 ALA C C 177.9170 0.042 1 7 2 5 ALA CA C 52.6530 0.042 1 8 2 5 ALA CB C 19.4203 0.042 1 9 2 5 ALA N N 125.5240 0.045 1 10 3 6 GLY H H 8.1830 0.004 1 11 3 6 GLY C C 174.7130 0.042 1 12 3 6 GLY CA C 45.3837 0.042 1 13 3 6 GLY N N 108.4510 0.045 1 14 4 7 GLY H H 8.0830 0.004 1 15 4 7 GLY C C 173.8330 0.042 1 16 4 7 GLY CA C 45.3810 0.042 1 17 4 7 GLY N N 108.7740 0.045 1 18 5 8 ARG H H 7.9970 0.004 1 19 5 8 ARG C C 175.0870 0.042 1 20 5 8 ARG CA C 56.0170 0.042 1 21 5 8 ARG CB C 31.0400 0.042 1 22 5 8 ARG N N 120.7390 0.045 1 23 6 9 ASN H H 7.8790 0.004 1 24 6 9 ASN C C 176.4640 0.042 1 25 6 9 ASN CA C 54.4480 0.042 1 26 6 9 ASN CB C 41.3720 0.042 1 27 6 9 ASN N N 125.6800 0.045 1 28 7 10 GLY H H 8.0210 0.004 1 29 7 10 GLY C C 173.5350 0.042 1 30 7 10 GLY CA C 45.5640 0.042 1 31 7 10 GLY N N 108.8140 0.045 1 32 8 11 VAL H H 7.5430 0.004 1 33 8 11 VAL C C 174.3090 0.042 1 34 8 11 VAL CA C 61.8920 0.042 1 35 8 11 VAL CB C 32.8270 0.042 1 36 8 11 VAL N N 120.5120 0.045 1 37 9 12 LYS H H 7.3660 0.004 1 38 9 12 LYS C C 174.1420 0.042 1 39 9 12 LYS CA C 54.9740 0.042 1 40 9 12 LYS CB C 34.8800 0.042 1 41 9 12 LYS N N 125.0060 0.045 1 42 10 13 PHE H H 9.3670 0.004 1 43 10 13 PHE C C 176.3840 0.042 1 44 10 13 PHE CA C 57.2710 0.042 1 45 10 13 PHE CB C 41.8860 0.042 1 46 10 13 PHE N N 120.5490 0.045 1 47 11 14 VAL H H 9.0260 0.004 1 48 11 14 VAL C C 173.7530 0.042 1 49 11 14 VAL CA C 60.4590 0.042 1 50 11 14 VAL CB C 35.7940 0.042 1 51 11 14 VAL N N 123.5410 0.045 1 52 12 15 GLU H H 7.7620 0.004 1 53 12 15 GLU C C 177.3460 0.042 1 54 12 15 GLU CA C 56.2148 0.042 1 55 12 15 GLU CB C 31.8625 0.042 1 56 12 15 GLU N N 131.7460 0.045 1 57 13 16 MET H H 8.3980 0.004 1 58 13 16 MET C C 176.4170 0.042 1 59 13 16 MET CA C 54.7310 0.042 1 60 13 16 MET CB C 33.0740 0.042 1 61 13 16 MET N N 120.5880 0.045 1 62 14 17 ASP H H 7.5360 0.004 1 63 14 17 ASP C C 171.6460 0.042 1 64 14 17 ASP CA C 53.7610 0.042 1 65 14 17 ASP CB C 40.5810 0.042 1 66 14 17 ASP N N 118.9620 0.045 1 67 15 18 ILE H H 7.0200 0.004 1 68 15 18 ILE C C 177.0390 0.042 1 69 15 18 ILE CA C 57.7850 0.042 1 70 15 18 ILE CB C 35.4280 0.042 1 71 15 18 ILE N N 120.9240 0.045 1 72 16 19 ARG H H 7.9530 0.004 1 73 16 19 ARG C C 176.0980 0.042 1 74 16 19 ARG CA C 56.3010 0.042 1 75 16 19 ARG CB C 31.3110 0.042 1 76 16 19 ARG N N 123.3840 0.045 1 77 17 20 SER H H 7.1200 0.004 1 78 17 20 SER C C 174.0500 0.042 1 79 17 20 SER CA C 57.2850 0.042 1 80 17 20 SER CB C 67.0060 0.042 1 81 17 20 SER N N 111.5550 0.045 1 82 18 21 ARG H H 9.2940 0.004 1 83 18 21 ARG C C 177.7820 0.042 1 84 18 21 ARG CA C 59.9470 0.042 1 85 18 21 ARG CB C 29.8030 0.042 1 86 18 21 ARG N N 126.4520 0.045 1 87 19 22 GLU H H 8.7770 0.004 1 88 19 22 GLU C C 178.9070 0.042 1 89 19 22 GLU CA C 59.6770 0.042 1 90 19 22 GLU CB C 29.3940 0.042 1 91 19 22 GLU N N 118.3690 0.045 1 92 20 23 ALA H H 7.4530 0.004 1 93 20 23 ALA C C 177.7010 0.042 1 94 20 23 ALA CA C 54.3270 0.042 1 95 20 23 ALA CB C 18.9560 0.042 1 96 20 23 ALA N N 120.4380 0.045 1 97 21 24 TYR H H 8.3800 0.004 1 98 21 24 TYR C C 176.0590 0.042 1 99 21 24 TYR CA C 63.0780 0.042 1 100 21 24 TYR CB C 39.0570 0.042 1 101 21 24 TYR N N 122.8560 0.045 1 102 22 25 GLU H H 8.0760 0.004 1 103 22 25 GLU C C 178.3080 0.042 1 104 22 25 GLU CA C 59.1710 0.042 1 105 22 25 GLU CB C 29.7070 0.042 1 106 22 25 GLU N N 116.4890 0.045 1 107 23 26 LEU H H 6.7400 0.004 1 108 23 26 LEU C C 177.8210 0.042 1 109 23 26 LEU CA C 56.5710 0.042 1 110 23 26 LEU CB C 42.5600 0.042 1 111 23 26 LEU N N 118.1550 0.045 1 112 24 27 ALA H H 8.5180 0.004 1 113 24 27 ALA C C 179.3120 0.042 1 114 24 27 ALA CA C 55.7390 0.042 1 115 24 27 ALA CB C 18.0610 0.042 1 116 24 27 ALA N N 120.9410 0.045 1 117 25 28 GLU H H 8.2450 0.004 1 118 25 28 GLU C C 176.7390 0.042 1 119 25 28 GLU CA C 58.1480 0.042 1 120 25 28 GLU CB C 28.7906 0.042 1 121 25 28 GLU N N 114.9320 0.045 1 122 26 29 GLU H H 7.4260 0.004 1 123 26 29 GLU C C 176.5790 0.042 1 124 26 29 GLU CA C 57.8551 0.042 1 125 26 29 GLU CB C 29.1540 0.042 1 126 26 29 GLU N N 116.8150 0.045 1 127 27 30 TRP H H 7.2920 0.004 1 128 27 30 TRP C C 175.0060 0.042 1 129 27 30 TRP CA C 55.7010 0.042 1 130 27 30 TRP CB C 32.7300 0.042 1 131 27 30 TRP N N 118.6160 0.045 1 132 28 31 PHE H H 8.2910 0.004 1 133 28 31 PHE C C 174.1360 0.042 1 134 28 31 PHE CA C 57.9950 0.042 1 135 28 31 PHE CB C 41.2640 0.042 1 136 28 31 PHE N N 118.6460 0.045 1 137 29 32 ASP H H 8.5820 0.004 1 138 29 32 ASP C C 175.9370 0.042 1 139 29 32 ASP CA C 57.6150 0.042 1 140 29 32 ASP CB C 42.9130 0.042 1 141 29 32 ASP N N 120.4470 0.045 1 142 30 33 ASP H H 7.8920 0.004 1 143 30 33 ASP C C 173.5090 0.042 1 144 30 33 ASP CA C 52.9900 0.042 1 145 30 33 ASP CB C 44.2360 0.042 1 146 30 33 ASP N N 115.3470 0.045 1 147 31 34 VAL H H 8.5850 0.004 1 148 31 34 VAL C C 174.3390 0.042 1 149 31 34 VAL CA C 60.6920 0.042 1 150 31 34 VAL CB C 35.7260 0.042 1 151 31 34 VAL N N 120.8020 0.045 1 152 32 35 VAL H H 8.6700 0.004 1 153 32 35 VAL C C 174.2260 0.042 1 154 32 35 VAL CA C 61.4330 0.042 1 155 32 35 VAL CB C 32.7260 0.042 1 156 32 35 VAL N N 130.6140 0.045 1 157 33 36 PHE H H 8.0900 0.004 1 158 33 36 PHE C C 172.9550 0.042 1 159 33 36 PHE CA C 57.8640 0.042 1 160 33 36 PHE CB C 40.3740 0.042 1 161 33 36 PHE N N 127.1500 0.045 1 162 34 37 SER H H 8.1560 0.004 1 163 34 37 SER C C 171.3940 0.042 1 164 34 37 SER CA C 54.8750 0.042 1 165 34 37 SER CB C 64.6110 0.042 1 166 34 37 SER N N 126.5890 0.045 1 167 35 38 TYR H H 8.9670 0.004 1 168 35 38 TYR C C 173.7000 0.042 1 169 35 38 TYR CA C 55.7200 0.042 1 170 35 38 TYR CB C 39.4200 0.042 1 171 35 38 TYR N N 129.5320 0.045 1 172 36 39 GLU H H 7.5650 0.004 1 173 36 39 GLU C C 177.1220 0.042 1 174 36 39 GLU CA C 56.8760 0.042 1 175 36 39 GLU CB C 31.9730 0.042 1 176 36 39 GLU N N 126.3590 0.045 1 177 37 40 ILE H H 8.6370 0.004 1 178 37 40 ILE CA C 58.3730 0.042 1 179 37 40 ILE N N 125.0330 0.045 1 180 39 42 PRO C C 177.3270 0.042 1 181 39 42 PRO CA C 63.2650 0.042 1 182 39 42 PRO CB C 33.9940 0.042 1 183 40 43 GLY H H 8.6300 0.004 1 184 40 43 GLY C C 170.5640 0.042 1 185 40 43 GLY CA C 44.7200 0.042 1 186 40 43 GLY N N 112.7900 0.045 1 187 41 44 VAL H H 7.6700 0.004 1 188 41 44 VAL C C 175.2040 0.042 1 189 41 44 VAL CA C 59.5890 0.042 1 190 41 44 VAL CB C 35.1670 0.042 1 191 41 44 VAL N N 112.2610 0.045 1 192 42 45 LEU H H 8.5290 0.004 1 193 42 45 LEU C C 174.2460 0.042 1 194 42 45 LEU CA C 53.4990 0.042 1 195 42 45 LEU CB C 39.7440 0.042 1 196 42 45 LEU N N 125.5230 0.045 1 197 43 46 ASP H H 7.0680 0.004 1 198 43 46 ASP C C 175.6370 0.042 1 199 43 46 ASP CA C 52.7410 0.042 1 200 43 46 ASP CB C 45.0690 0.042 1 201 43 46 ASP N N 126.1000 0.045 1 202 44 47 LYS H H 9.0530 0.004 1 203 44 47 LYS C C 177.8960 0.042 1 204 44 47 LYS CA C 60.1400 0.042 1 205 44 47 LYS CB C 32.7740 0.042 1 206 44 47 LYS N N 126.6140 0.045 1 207 45 48 GLU H H 8.2420 0.004 1 208 45 48 GLU C C 179.1960 0.042 1 209 45 48 GLU CA C 59.0550 0.042 1 210 45 48 GLU CB C 28.8090 0.042 1 211 45 48 GLU N N 120.2050 0.045 1 212 46 49 ARG H H 8.0100 0.004 1 213 46 49 ARG C C 179.4100 0.042 1 214 46 49 ARG CA C 58.1370 0.042 1 215 46 49 ARG CB C 29.8370 0.042 1 216 46 49 ARG N N 121.2900 0.045 1 217 47 50 LEU H H 7.9780 0.004 1 218 47 50 LEU C C 179.1590 0.042 1 219 47 50 LEU CA C 57.8090 0.042 1 220 47 50 LEU CB C 40.2390 0.042 1 221 47 50 LEU N N 118.5990 0.045 1 222 48 51 LYS H H 7.6690 0.004 1 223 48 51 LYS C C 179.1030 0.042 1 224 48 51 LYS CA C 59.8760 0.042 1 225 48 51 LYS CB C 32.1540 0.042 1 226 48 51 LYS N N 121.3810 0.045 1 227 49 52 GLU H H 7.3600 0.004 1 228 49 52 GLU C C 179.1350 0.042 1 229 49 52 GLU CA C 59.4687 0.042 1 230 49 52 GLU CB C 29.2380 0.042 1 231 49 52 GLU N N 120.0430 0.045 1 232 50 53 ILE H H 7.6190 0.004 1 233 50 53 ILE C C 178.0060 0.042 1 234 50 53 ILE CA C 64.1160 0.042 1 235 50 53 ILE CB C 37.4020 0.042 1 236 50 53 ILE N N 120.9600 0.045 1 237 51 54 LYS H H 8.3510 0.004 1 238 51 54 LYS C C 178.7290 0.042 1 239 51 54 LYS CA C 59.2480 0.042 1 240 51 54 LYS CB C 32.3480 0.042 1 241 51 54 LYS N N 122.0420 0.045 1 242 52 55 LYS H H 7.7220 0.004 1 243 52 55 LYS C C 177.5340 0.042 1 244 52 55 LYS CA C 59.1380 0.042 1 245 52 55 LYS CB C 32.1600 0.042 1 246 52 55 LYS N N 119.8520 0.045 1 247 53 56 GLU H H 7.1230 0.004 1 248 53 56 GLU C C 177.1370 0.042 1 249 53 56 GLU CA C 58.2360 0.042 1 250 53 56 GLU CB C 29.9970 0.042 1 251 53 56 GLU N N 117.4090 0.045 1 252 54 57 TYR H H 7.5750 0.004 1 253 54 57 TYR C C 177.2650 0.042 1 254 54 57 TYR CA C 58.7960 0.042 1 255 54 57 TYR CB C 41.3100 0.042 1 256 54 57 TYR N N 114.5920 0.045 1 257 55 58 GLY H H 8.4870 0.004 1 258 55 58 GLY C C 173.7800 0.042 1 259 55 58 GLY CA C 47.5440 0.042 1 260 55 58 GLY N N 111.0480 0.045 1 261 56 59 ASN H H 8.2020 0.004 1 262 56 59 ASN C C 173.0920 0.042 1 263 56 59 ASN CA C 52.6500 0.042 1 264 56 59 ASN CB C 40.8370 0.042 1 265 56 59 ASN N N 122.8510 0.045 1 266 57 60 VAL H H 8.1450 0.004 1 267 57 60 VAL C C 173.7850 0.042 1 268 57 60 VAL CA C 60.3620 0.042 1 269 57 60 VAL CB C 36.5530 0.042 1 270 57 60 VAL N N 123.7830 0.045 1 271 58 61 ALA H H 9.1160 0.004 1 272 58 61 ALA C C 175.6590 0.042 1 273 58 61 ALA CA C 48.9550 0.042 1 274 58 61 ALA CB C 20.6140 0.042 1 275 58 61 ALA N N 130.1150 0.045 1 276 59 62 ILE H H 8.9170 0.004 1 277 59 62 ILE C C 173.8500 0.042 1 278 59 62 ILE CA C 61.6790 0.042 1 279 59 62 ILE CB C 38.7010 0.042 1 280 59 62 ILE N N 124.2400 0.045 1 281 60 63 THR H H 8.3490 0.004 1 282 60 63 THR C C 173.2150 0.042 1 283 60 63 THR CA C 61.6280 0.042 1 284 60 63 THR CB C 68.2760 0.042 1 285 60 63 THR N N 128.0170 0.045 1 286 61 64 LEU H H 8.6460 0.004 1 287 61 64 LEU C C 175.3310 0.042 1 288 61 64 LEU CA C 53.5540 0.042 1 289 61 64 LEU CB C 41.3530 0.042 1 290 61 64 LEU N N 126.9960 0.045 1 291 62 65 ILE H H 8.3190 0.004 1 292 62 65 ILE C C 176.6210 0.042 1 293 62 65 ILE CA C 59.6470 0.042 1 294 62 65 ILE CB C 36.4210 0.042 1 295 62 65 ILE N N 126.9470 0.045 1 296 63 66 ASN H H 9.3730 0.004 1 297 63 66 ASN CA C 54.7290 0.042 1 298 63 66 ASN N N 125.8770 0.045 1 299 67 70 SER C C 174.1630 0.042 1 300 67 70 SER CA C 61.8580 0.042 1 301 68 71 LEU H H 7.2550 0.004 1 302 68 71 LEU C C 178.2590 0.042 1 303 68 71 LEU CA C 57.1947 0.042 1 304 68 71 LEU CB C 42.5670 0.042 1 305 68 71 LEU N N 125.4020 0.045 1 306 69 72 VAL H H 7.1700 0.004 1 307 69 72 VAL C C 177.3630 0.042 1 308 69 72 VAL CA C 67.0280 0.042 1 309 69 72 VAL CB C 31.5969 0.042 1 310 69 72 VAL N N 118.5770 0.045 1 311 70 73 LYS H H 8.1300 0.004 1 312 70 73 LYS C C 178.1690 0.042 1 313 70 73 LYS CA C 60.2190 0.042 1 314 70 73 LYS CB C 31.9220 0.042 1 315 70 73 LYS N N 118.0000 0.045 1 316 71 74 GLU H H 7.7140 0.004 1 317 71 74 GLU C C 178.2780 0.042 1 318 71 74 GLU CA C 59.5910 0.042 1 319 71 74 GLU CB C 29.9800 0.042 1 320 71 74 GLU N N 119.0100 0.045 1 321 72 75 ALA H H 8.5130 0.004 1 322 72 75 ALA C C 179.6930 0.042 1 323 72 75 ALA CA C 55.8510 0.042 1 324 72 75 ALA CB C 18.6590 0.042 1 325 72 75 ALA N N 120.6060 0.045 1 326 73 76 VAL H H 8.3010 0.004 1 327 73 76 VAL C C 178.1940 0.042 1 328 73 76 VAL CA C 66.5370 0.042 1 329 73 76 VAL CB C 31.9660 0.042 1 330 73 76 VAL N N 115.9390 0.045 1 331 74 77 GLN H H 8.3410 0.004 1 332 74 77 GLN C C 178.3750 0.042 1 333 74 77 GLN CA C 59.3300 0.042 1 334 74 77 GLN CB C 29.0620 0.042 1 335 74 77 GLN N N 118.2900 0.045 1 336 75 78 ARG H H 8.0890 0.004 1 337 75 78 ARG C C 178.2790 0.042 1 338 75 78 ARG CA C 57.7420 0.042 1 339 75 78 ARG N N 113.3400 0.045 1 340 76 79 PHE H H 8.0130 0.004 1 341 76 79 PHE C C 176.0480 0.042 1 342 76 79 PHE CA C 59.1120 0.042 1 343 76 79 PHE CB C 41.3240 0.042 1 344 76 79 PHE N N 114.3250 0.045 1 345 77 80 LYS H H 7.5770 0.004 1 346 77 80 LYS C C 176.5280 0.042 1 347 77 80 LYS CA C 59.5410 0.042 1 348 77 80 LYS CB C 33.6240 0.042 1 349 77 80 LYS N N 121.4410 0.045 1 350 78 81 GLN H H 8.3660 0.004 1 351 78 81 GLN C C 176.0000 0.042 1 352 78 81 GLN CA C 59.0130 0.042 1 353 78 81 GLN CB C 28.4760 0.042 1 354 78 81 GLN N N 113.7080 0.045 1 355 79 82 ASN H H 7.4000 0.004 1 356 79 82 ASN C C 172.3430 0.042 1 357 79 82 ASN CA C 53.2750 0.042 1 358 79 82 ASN CB C 42.9000 0.042 1 359 79 82 ASN N N 111.6530 0.045 1 360 80 83 TYR H H 7.9450 0.004 1 361 80 83 TYR C C 174.6190 0.042 1 362 80 83 TYR CA C 57.3870 0.042 1 363 80 83 TYR CB C 41.4480 0.042 1 364 80 83 TYR N N 118.8600 0.045 1 365 81 84 LEU H H 7.5250 0.004 1 366 81 84 LEU C C 176.8020 0.042 1 367 81 84 LEU CA C 54.3230 0.042 1 368 81 84 LEU CB C 42.8520 0.042 1 369 81 84 LEU N N 118.5510 0.045 1 370 82 85 ILE H H 9.9640 0.004 1 371 82 85 ILE C C 175.5950 0.042 1 372 82 85 ILE CA C 59.6260 0.042 1 373 82 85 ILE CB C 39.2510 0.042 1 374 82 85 ILE N N 121.2010 0.045 1 375 83 86 TYR H H 9.5730 0.004 1 376 83 86 TYR C C 176.1720 0.042 1 377 83 86 TYR CA C 51.5360 0.042 1 378 83 86 TYR CB C 39.8750 0.042 1 379 83 86 TYR N N 128.9600 0.045 1 380 84 87 VAL H H 8.2870 0.004 1 381 84 87 VAL C C 173.3710 0.042 1 382 84 87 VAL CA C 61.2810 0.042 1 383 84 87 VAL CB C 36.1250 0.042 1 384 84 87 VAL N N 119.0020 0.045 1 385 85 88 GLU H H 8.8010 0.004 1 386 85 88 GLU C C 173.7960 0.042 1 387 85 88 GLU CA C 54.7860 0.042 1 388 85 88 GLU CB C 31.9871 0.042 1 389 85 88 GLU N N 131.0450 0.045 1 390 86 89 SER H H 7.7240 0.004 1 391 86 89 SER C C 173.0090 0.042 1 392 86 89 SER CA C 56.9970 0.042 1 393 86 89 SER CB C 65.1610 0.042 1 394 86 89 SER N N 118.3890 0.045 1 395 87 90 SER H H 8.2020 0.004 1 396 87 90 SER C C 172.8260 0.042 1 397 87 90 SER CA C 60.8020 0.042 1 398 87 90 SER N N 119.8490 0.045 1 399 88 91 ASP H H 8.3670 0.004 1 400 88 91 ASP C C 177.0370 0.042 1 401 88 91 ASP CA C 52.6700 0.042 1 402 88 91 ASP CB C 41.6850 0.042 1 403 88 91 ASP N N 124.1040 0.045 1 404 89 92 LEU H H 8.5930 0.004 1 405 89 92 LEU C C 179.6150 0.042 1 406 89 92 LEU CA C 58.0753 0.042 1 407 89 92 LEU CB C 41.0150 0.042 1 408 89 92 LEU N N 127.0300 0.045 1 409 90 93 ARG H H 8.3520 0.004 1 410 90 93 ARG C C 179.8940 0.042 1 411 90 93 ARG CA C 59.6920 0.042 1 412 90 93 ARG CB C 29.4150 0.042 1 413 90 93 ARG N N 120.3630 0.045 1 414 91 94 VAL H H 7.4050 0.004 1 415 91 94 VAL C C 179.6660 0.042 1 416 91 94 VAL CA C 66.5500 0.042 1 417 91 94 VAL CB C 31.6640 0.042 1 418 91 94 VAL N N 122.7250 0.045 1 419 92 95 VAL H H 8.7290 0.004 1 420 92 95 VAL C C 177.1050 0.042 1 421 92 95 VAL CA C 64.5435 0.042 1 422 92 95 VAL CB C 31.5776 0.042 1 423 92 95 VAL N N 125.4010 0.045 1 424 93 96 ARG H H 8.1570 0.004 1 425 93 96 ARG C C 177.2480 0.042 1 426 93 96 ARG CA C 60.7790 0.042 1 427 93 96 ARG CB C 29.9910 0.042 1 428 93 96 ARG N N 119.2050 0.045 1 429 94 97 TYR H H 7.8260 0.004 1 430 94 97 TYR C C 177.2800 0.042 1 431 94 97 TYR CA C 61.7560 0.042 1 432 94 97 TYR CB C 39.3090 0.042 1 433 94 97 TYR N N 119.2280 0.045 1 434 95 98 SER H H 8.4550 0.004 1 435 95 98 SER C C 175.6900 0.042 1 436 95 98 SER CA C 62.1500 0.042 1 437 95 98 SER CB C 63.3380 0.042 1 438 95 98 SER N N 115.1810 0.045 1 439 96 99 ILE H H 7.9230 0.004 1 440 96 99 ILE C C 177.9180 0.042 1 441 96 99 ILE CA C 65.3060 0.042 1 442 96 99 ILE CB C 38.3800 0.042 1 443 96 99 ILE N N 124.1030 0.045 1 444 97 100 GLU H H 7.8920 0.004 1 445 97 100 GLU C C 178.9030 0.042 1 446 97 100 GLU CA C 59.6180 0.042 1 447 97 100 GLU CB C 29.2970 0.042 1 448 97 100 GLU N N 118.8200 0.045 1 449 98 101 ARG H H 7.8370 0.004 1 450 98 101 ARG C C 176.6790 0.042 1 451 98 101 ARG CA C 55.2260 0.042 1 452 98 101 ARG CB C 30.9730 0.042 1 453 98 101 ARG N N 115.7250 0.045 1 454 99 102 GLY H H 7.6800 0.004 1 455 99 102 GLY C C 175.3710 0.042 1 456 99 102 GLY CA C 47.3400 0.042 1 457 99 102 GLY N N 107.1130 0.045 1 458 100 103 VAL H H 6.8270 0.004 1 459 100 103 VAL C C 173.6590 0.042 1 460 100 103 VAL CA C 62.6560 0.042 1 461 100 103 VAL CB C 30.6117 0.042 1 462 100 103 VAL N N 110.1140 0.045 1 463 101 104 ASP H H 8.8370 0.004 1 464 101 104 ASP C C 177.6350 0.042 1 465 101 104 ASP CA C 58.3190 0.042 1 466 101 104 ASP CB C 43.1130 0.042 1 467 101 104 ASP N N 118.0320 0.045 1 468 102 105 ALA H H 7.8600 0.004 1 469 102 105 ALA C C 175.1570 0.042 1 470 102 105 ALA CA C 51.2510 0.042 1 471 102 105 ALA CB C 23.0750 0.042 1 472 102 105 ALA N N 116.2200 0.045 1 473 103 106 VAL H H 8.3410 0.004 1 474 103 106 VAL C C 174.3570 0.042 1 475 103 106 VAL CA C 59.7860 0.042 1 476 103 106 VAL CB C 33.3130 0.042 1 477 103 106 VAL N N 118.9620 0.045 1 478 104 107 ILE H H 8.7680 0.004 1 479 104 107 ILE C C 175.2610 0.042 1 480 104 107 ILE CA C 59.0670 0.042 1 481 104 107 ILE CB C 38.6573 0.042 1 482 104 107 ILE N N 126.5730 0.045 1 483 105 108 SER H H 7.7310 0.004 1 484 105 108 SER CA C 56.9920 0.042 1 485 105 108 SER N N 115.3210 0.045 1 486 106 109 PRO C C 174.3150 0.042 1 487 106 109 PRO CA C 63.7390 0.042 1 488 106 109 PRO CB C 30.8950 0.042 1 489 107 110 TRP H H 5.9730 0.004 1 490 107 110 TRP C C 176.7530 0.042 1 491 107 110 TRP CA C 57.0340 0.042 1 492 107 110 TRP CB C 28.6820 0.042 1 493 107 110 TRP N N 113.2310 0.045 1 494 108 111 ALA H H 7.1460 0.004 1 495 108 111 ALA C C 177.8720 0.042 1 496 108 111 ALA CA C 54.4670 0.042 1 497 108 111 ALA CB C 18.5770 0.042 1 498 108 111 ALA N N 126.2250 0.045 1 499 109 112 ASN H H 8.1950 0.004 1 500 109 112 ASN C C 174.2540 0.042 1 501 109 112 ASN CA C 53.4610 0.042 1 502 109 112 ASN CB C 38.6150 0.042 1 503 109 112 ASN N N 114.9630 0.045 1 504 110 113 ARG H H 7.6350 0.004 1 505 110 113 ARG C C 175.2590 0.042 1 506 110 113 ARG CA C 55.6960 0.042 1 507 110 113 ARG CB C 30.6810 0.042 1 508 110 113 ARG N N 117.4810 0.045 1 509 111 114 LYS H H 8.2610 0.004 1 510 111 114 LYS C C 175.3060 0.042 1 511 111 114 LYS CA C 55.3930 0.042 1 512 111 114 LYS CB C 31.8930 0.042 1 513 111 114 LYS N N 119.0110 0.045 1 514 112 115 ASP H H 7.1300 0.004 1 515 112 115 ASP C C 173.2990 0.042 1 516 112 115 ASP CA C 53.2230 0.042 1 517 112 115 ASP CB C 42.5360 0.042 1 518 112 115 ASP N N 116.7400 0.045 1 519 113 116 GLN H H 7.8450 0.004 1 520 113 116 GLN C C 176.0880 0.042 1 521 113 116 GLN CA C 56.9990 0.042 1 522 113 116 GLN CB C 29.0670 0.042 1 523 113 116 GLN N N 112.7810 0.045 1 524 114 117 GLY H H 8.8150 0.004 1 525 114 117 GLY C C 172.6810 0.042 1 526 114 117 GLY CA C 46.6230 0.042 1 527 114 117 GLY N N 110.9190 0.045 1 528 115 118 ILE H H 7.6910 0.004 1 529 115 118 ILE C C 172.3350 0.042 1 530 115 118 ILE CA C 61.3330 0.042 1 531 115 118 ILE CB C 39.4010 0.042 1 532 115 118 ILE N N 117.4060 0.045 1 533 116 119 ASP H H 6.8640 0.004 1 534 116 119 ASP CA C 52.1220 0.042 1 535 116 119 ASP N N 123.3470 0.045 1 536 117 120 HIS C C 176.2960 0.042 1 537 117 120 HIS CA C 60.1900 0.042 1 538 117 120 HIS CB C 30.4980 0.042 1 539 118 121 VAL H H 6.8470 0.004 1 540 118 121 VAL C C 179.0770 0.042 1 541 118 121 VAL CA C 66.2020 0.042 1 542 118 121 VAL CB C 31.3000 0.042 1 543 118 121 VAL N N 121.1010 0.045 1 544 119 122 LEU H H 8.5620 0.004 1 545 119 122 LEU C C 178.9700 0.042 1 546 119 122 LEU CA C 57.8868 0.042 1 547 119 122 LEU CB C 42.7220 0.042 1 548 119 122 LEU N N 120.5780 0.045 1 549 120 123 ALA H H 8.3740 0.004 1 550 120 123 ALA C C 178.6150 0.042 1 551 120 123 ALA CA C 55.4770 0.042 1 552 120 123 ALA CB C 18.2460 0.042 1 553 120 123 ALA N N 120.7100 0.045 1 554 121 124 ARG H H 7.3410 0.004 1 555 121 124 ARG C C 179.5140 0.042 1 556 121 124 ARG CA C 60.2473 0.042 1 557 121 124 ARG CB C 29.9720 0.042 1 558 121 124 ARG N N 116.9350 0.045 1 559 122 125 MET H H 7.7650 0.004 1 560 122 125 MET C C 178.3570 0.042 1 561 122 125 MET CA C 59.3900 0.042 1 562 122 125 MET CB C 33.8050 0.042 1 563 122 125 MET N N 119.4390 0.045 1 564 123 126 MET H H 8.5200 0.004 1 565 123 126 MET C C 178.6500 0.042 1 566 123 126 MET CA C 61.0160 0.042 1 567 123 126 MET CB C 34.0815 0.042 1 568 123 126 MET N N 119.6020 0.045 1 569 124 127 ASN H H 7.8650 0.004 1 570 124 127 ASN C C 177.4040 0.042 1 571 124 127 ASN CA C 58.0940 0.042 1 572 124 127 ASN CB C 40.4470 0.042 1 573 124 127 ASN N N 117.0690 0.045 1 574 125 128 LYS H H 7.9680 0.004 1 575 125 128 LYS C C 178.5350 0.042 1 576 125 128 LYS CA C 59.0620 0.042 1 577 125 128 LYS CB C 32.4280 0.042 1 578 125 128 LYS N N 119.8160 0.045 1 579 126 129 ARG H H 8.0090 0.004 1 580 126 129 ARG C C 176.1090 0.042 1 581 126 129 ARG CA C 54.7440 0.042 1 582 126 129 ARG CB C 30.8770 0.042 1 583 126 129 ARG N N 114.8850 0.045 1 584 127 130 GLY H H 7.7740 0.004 1 585 127 130 GLY C C 174.1760 0.042 1 586 127 130 GLY CA C 47.1620 0.042 1 587 127 130 GLY N N 111.0290 0.045 1 588 128 131 VAL H H 8.1320 0.004 1 589 128 131 VAL C C 173.0730 0.042 1 590 128 131 VAL CA C 62.2710 0.042 1 591 128 131 VAL CB C 33.8190 0.042 1 592 128 131 VAL N N 123.5360 0.045 1 593 129 132 ALA H H 7.6380 0.004 1 594 129 132 ALA C C 175.7800 0.042 1 595 129 132 ALA CA C 50.2300 0.042 1 596 129 132 ALA CB C 20.5640 0.042 1 597 129 132 ALA N N 125.0190 0.045 1 598 130 133 LEU H H 8.1600 0.004 1 599 130 133 LEU C C 175.1590 0.042 1 600 130 133 LEU CA C 52.4030 0.042 1 601 130 133 LEU CB C 44.3360 0.042 1 602 130 133 LEU N N 121.0730 0.045 1 603 131 134 GLY H H 8.5990 0.004 1 604 131 134 GLY C C 172.0310 0.042 1 605 131 134 GLY CA C 44.2540 0.042 1 606 131 134 GLY N N 112.2470 0.045 1 607 132 135 PHE H H 8.6830 0.004 1 608 132 135 PHE C C 174.3300 0.042 1 609 132 135 PHE CA C 57.9800 0.042 1 610 132 135 PHE CB C 39.3460 0.042 1 611 132 135 PHE N N 125.6260 0.045 1 612 133 136 SER H H 7.1950 0.004 1 613 133 136 SER C C 175.8140 0.042 1 614 133 136 SER CA C 57.0690 0.042 1 615 133 136 SER CB C 64.2750 0.042 1 616 133 136 SER N N 116.8190 0.045 1 617 134 137 LEU H H 8.8070 0.004 1 618 134 137 LEU C C 177.1360 0.042 1 619 134 137 LEU CA C 55.8400 0.042 1 620 134 137 LEU CB C 42.2930 0.042 1 621 134 137 LEU N N 125.1320 0.045 1 622 135 138 ARG H H 7.0510 0.004 1 623 135 138 ARG CA C 61.4790 0.042 1 624 135 138 ARG N N 119.1330 0.045 1 625 142 145 PRO C C 178.9500 0.042 1 626 142 145 PRO CA C 65.6540 0.042 1 627 142 145 PRO CB C 32.2080 0.042 1 628 143 146 TYR H H 7.8410 0.004 1 629 143 146 TYR C C 178.1990 0.042 1 630 143 146 TYR CA C 60.3360 0.042 1 631 143 146 TYR CB C 37.6220 0.042 1 632 143 146 TYR N N 119.3560 0.045 1 633 144 147 GLU H H 7.7450 0.004 1 634 144 147 GLU C C 179.7480 0.042 1 635 144 147 GLU CA C 58.6300 0.042 1 636 144 147 GLU CB C 29.5610 0.042 1 637 144 147 GLU N N 120.7520 0.045 1 638 145 148 ARG H H 8.0760 0.004 1 639 145 148 ARG C C 177.5970 0.042 1 640 145 148 ARG CA C 59.6623 0.042 1 641 145 148 ARG CB C 30.8123 0.042 1 642 145 148 ARG N N 120.0110 0.045 1 643 146 149 ALA H H 7.6024 0.004 1 644 146 149 ALA C C 180.7100 0.042 1 645 146 149 ALA CA C 55.0060 0.042 1 646 146 149 ALA CB C 17.9810 0.042 1 647 146 149 ALA N N 120.3420 0.045 1 648 147 150 ASN H H 7.6440 0.004 1 649 147 150 ASN C C 175.9130 0.042 1 650 147 150 ASN CA C 55.7200 0.042 1 651 147 150 ASN CB C 38.0290 0.042 1 652 147 150 ASN N N 117.9350 0.045 1 653 148 151 ALA H H 7.8210 0.004 1 654 148 151 ALA C C 179.8440 0.042 1 655 148 151 ALA CA C 55.5140 0.042 1 656 148 151 ALA CB C 18.2580 0.042 1 657 148 151 ALA N N 122.1360 0.045 1 658 149 152 LEU H H 8.0080 0.004 1 659 149 152 LEU C C 178.8460 0.042 1 660 149 152 LEU CA C 58.1520 0.042 1 661 149 152 LEU CB C 41.8360 0.042 1 662 149 152 LEU N N 118.0530 0.045 1 663 150 153 LYS H H 7.4500 0.004 1 664 150 153 LYS C C 179.6060 0.042 1 665 150 153 LYS CA C 60.0210 0.042 1 666 150 153 LYS N N 119.5800 0.045 1 667 151 154 PHE H H 7.6880 0.004 1 668 151 154 PHE C C 178.2990 0.042 1 669 151 154 PHE N N 119.0580 0.045 1 670 152 155 MET H H 8.2670 0.004 1 671 152 155 MET C C 177.9780 0.042 1 672 152 155 MET CA C 60.4203 0.042 1 673 152 155 MET CB C 34.0307 0.042 1 674 152 155 MET N N 119.9640 0.045 1 675 153 156 ARG H H 8.3230 0.004 1 676 153 156 ARG C C 179.7740 0.042 1 677 153 156 ARG CA C 59.7400 0.042 1 678 153 156 ARG CB C 30.4340 0.042 1 679 153 156 ARG N N 120.0260 0.045 1 680 154 157 LYS H H 7.5620 0.004 1 681 154 157 LYS C C 179.5700 0.042 1 682 154 157 LYS CA C 59.4220 0.042 1 683 154 157 LYS CB C 32.2500 0.042 1 684 154 157 LYS N N 120.0410 0.045 1 685 155 158 ALA H H 8.2970 0.004 1 686 155 158 ALA C C 179.6370 0.042 1 687 155 158 ALA CA C 55.6700 0.042 1 688 155 158 ALA CB C 18.8280 0.042 1 689 155 158 ALA N N 121.8010 0.045 1 690 156 159 TRP H H 8.9440 0.004 1 691 156 159 TRP C C 176.1170 0.042 1 692 156 159 TRP CA C 59.8567 0.042 1 693 156 159 TRP CB C 29.1990 0.042 1 694 156 159 TRP N N 119.5240 0.045 1 695 157 160 THR H H 7.8010 0.004 1 696 157 160 THR C C 177.0300 0.042 1 697 157 160 THR CA C 66.6130 0.042 1 698 157 160 THR CB C 68.7690 0.042 1 699 157 160 THR N N 112.8440 0.045 1 700 158 161 LEU H H 6.9260 0.004 1 701 158 161 LEU C C 178.1050 0.042 1 702 158 161 LEU CA C 57.8490 0.042 1 703 158 161 LEU N N 120.7780 0.045 1 704 159 162 VAL H H 8.4050 0.004 1 705 159 162 VAL C C 177.4880 0.042 1 706 159 162 VAL CA C 65.8050 0.042 1 707 159 162 VAL CB C 31.6520 0.042 1 708 159 162 VAL N N 120.8290 0.045 1 709 160 163 ASN H H 8.1660 0.004 1 710 160 163 ASN C C 177.8380 0.042 1 711 160 163 ASN CA C 54.8150 0.042 1 712 160 163 ASN CB C 38.1710 0.042 1 713 160 163 ASN N N 116.8950 0.045 1 714 161 164 LYS H H 7.3040 0.004 1 715 161 164 LYS C C 177.6980 0.042 1 716 161 164 LYS CA C 59.4590 0.042 1 717 161 164 LYS CB C 32.6380 0.042 1 718 161 164 LYS N N 119.6270 0.045 1 719 162 165 TYR H H 7.7420 0.004 1 720 162 165 TYR C C 173.5810 0.042 1 721 162 165 TYR CA C 58.6570 0.042 1 722 162 165 TYR CB C 37.4750 0.042 1 723 162 165 TYR N N 112.7280 0.045 1 724 163 166 LYS H H 7.4460 0.004 1 725 163 166 LYS C C 176.2600 0.042 1 726 163 166 LYS CA C 56.8250 0.042 1 727 163 166 LYS CB C 28.6560 0.042 1 728 163 166 LYS N N 117.4370 0.045 1 729 164 167 VAL H H 8.5620 0.004 1 730 164 167 VAL CA C 61.0140 0.042 1 731 164 167 VAL N N 123.7880 0.045 1 732 165 168 PRO CA C 63.7750 0.042 1 733 165 168 PRO CB C 31.5820 0.042 1 734 166 169 ARG H H 5.9020 0.004 1 735 166 169 ARG C C 172.5070 0.042 1 736 166 169 ARG CA C 54.9530 0.042 1 737 166 169 ARG CB C 30.5740 0.042 1 738 166 169 ARG N N 117.4580 0.045 1 739 167 170 PHE H H 7.9320 0.004 1 740 167 170 PHE C C 173.5380 0.042 1 741 167 170 PHE CA C 55.5590 0.042 1 742 167 170 PHE CB C 42.8570 0.042 1 743 167 170 PHE N N 111.9000 0.045 1 744 168 171 ILE H H 7.1450 0.004 1 745 168 171 ILE C C 173.5950 0.042 1 746 168 171 ILE CA C 59.6120 0.042 1 747 168 171 ILE CB C 40.9090 0.042 1 748 168 171 ILE N N 117.9220 0.045 1 749 169 172 SER H H 8.2740 0.004 1 750 169 172 SER C C 173.6810 0.042 1 751 169 172 SER CA C 56.4460 0.042 1 752 169 172 SER CB C 64.5990 0.042 1 753 169 172 SER N N 117.4130 0.045 1 754 170 173 SER H H 10.5010 0.004 1 755 170 173 SER C C 176.1300 0.042 1 756 170 173 SER CA C 61.9430 0.042 1 757 170 173 SER CB C 63.5820 0.042 1 758 170 173 SER N N 126.6740 0.045 1 759 171 174 SER H H 9.4710 0.004 1 760 171 174 SER C C 177.7935 0.042 1 761 171 174 SER CA C 57.8551 0.042 1 762 171 174 SER CB C 62.5620 0.042 1 763 171 174 SER N N 119.6550 0.045 1 764 172 175 ALA H H 7.2860 0.004 1 765 172 175 ALA C C 176.8690 0.042 1 766 172 175 ALA CA C 54.2150 0.042 1 767 172 175 ALA CB C 21.6380 0.042 1 768 172 175 ALA N N 118.4825 0.045 1 769 173 176 LYS H H 8.1660 0.004 1 770 173 176 LYS C C 176.6420 0.042 1 771 173 176 LYS CA C 56.1090 0.042 1 772 173 176 LYS CB C 33.1890 0.042 1 773 173 176 LYS N N 117.8210 0.045 1 774 174 177 GLY H H 7.5000 0.004 1 775 174 177 GLY CA C 43.7770 0.042 1 776 174 177 GLY N N 106.7580 0.045 1 777 175 178 LYS C C 177.1560 0.042 1 778 175 178 LYS CA C 60.4730 0.042 1 779 175 178 LYS CB C 31.6396 0.042 1 780 176 179 PHE H H 7.8380 0.004 1 781 176 179 PHE C C 175.9510 0.042 1 782 176 179 PHE CA C 58.4253 0.042 1 783 176 179 PHE CB C 37.5500 0.042 1 784 176 179 PHE N N 113.9080 0.045 1 785 177 180 GLN H H 7.3500 0.004 1 786 177 180 GLN C C 174.4800 0.042 1 787 177 180 GLN CA C 55.6960 0.042 1 788 177 180 GLN CB C 29.3860 0.042 1 789 177 180 GLN N N 118.1440 0.045 1 790 178 181 VAL H H 6.9180 0.004 1 791 178 181 VAL C C 176.2400 0.042 1 792 178 181 VAL CA C 63.8400 0.042 1 793 178 181 VAL CB C 31.9730 0.042 1 794 178 181 VAL N N 119.6470 0.045 1 795 179 182 ARG H H 8.5860 0.004 1 796 179 182 ARG C C 175.5180 0.042 1 797 179 182 ARG CA C 52.4250 0.042 1 798 179 182 ARG CB C 33.9750 0.042 1 799 179 182 ARG N N 126.9770 0.045 1 800 180 183 GLY H H 8.1230 0.004 1 801 180 183 GLY C C 173.5570 0.042 1 802 180 183 GLY CA C 44.1120 0.042 1 803 180 183 GLY N N 106.2930 0.045 1 804 181 184 VAL H H 7.6640 0.004 1 805 181 184 VAL C C 177.8320 0.042 1 806 181 184 VAL CA C 67.1960 0.042 1 807 181 184 VAL CB C 31.8360 0.042 1 808 181 184 VAL N N 119.0480 0.045 1 809 182 185 LYS H H 8.0790 0.004 1 810 182 185 LYS C C 179.1980 0.042 1 811 182 185 LYS CA C 59.6407 0.042 1 812 182 185 LYS CB C 31.6040 0.042 1 813 182 185 LYS N N 116.5670 0.045 1 814 183 186 GLU H H 7.5180 0.004 1 815 183 186 GLU C C 179.4040 0.042 1 816 183 186 GLU CA C 59.7840 0.042 1 817 183 186 GLU N N 119.7970 0.045 1 818 184 187 LEU H H 7.9970 0.004 1 819 184 187 LEU CA C 56.0400 0.042 1 820 184 187 LEU CB C 41.3700 0.042 1 821 184 187 LEU N N 120.6340 0.045 1 822 185 188 ILE C C 177.8380 0.042 1 823 185 188 ILE CA C 65.8790 0.042 1 824 185 188 ILE CB C 37.2100 0.042 1 825 186 189 SER H H 7.7570 0.004 1 826 186 189 SER C C 177.0170 0.042 1 827 186 189 SER CA C 62.6690 0.042 1 828 186 189 SER N N 114.8010 0.045 1 829 187 190 LEU H H 7.5670 0.004 1 830 187 190 LEU C C 177.7460 0.042 1 831 187 190 LEU CA C 57.8070 0.042 1 832 187 190 LEU CB C 41.0520 0.042 1 833 187 190 LEU N N 124.8890 0.045 1 834 188 191 GLY H H 7.8740 0.004 1 835 188 191 GLY C C 175.5870 0.042 1 836 188 191 GLY CA C 48.0020 0.042 1 837 188 191 GLY N N 107.2610 0.045 1 838 189 192 ILE H H 8.1090 0.004 1 839 189 192 ILE C C 180.4130 0.042 1 840 189 192 ILE CA C 63.5730 0.042 1 841 189 192 ILE CB C 37.7370 0.042 1 842 189 192 ILE N N 123.8070 0.045 1 843 190 193 ALA H H 7.7990 0.004 1 844 190 193 ALA C C 179.6900 0.042 1 845 190 193 ALA CA C 54.9250 0.042 1 846 190 193 ALA CB C 17.5630 0.042 1 847 190 193 ALA N N 125.2140 0.045 1 848 191 194 ILE H H 7.4170 0.004 1 849 191 194 ILE C C 173.3640 0.042 1 850 191 194 ILE CA C 62.5620 0.042 1 851 191 194 ILE CB C 37.9510 0.042 1 852 191 194 ILE N N 114.5370 0.045 1 853 192 195 GLY H H 7.3170 0.004 1 854 192 195 GLY C C 175.0520 0.042 1 855 192 195 GLY CA C 44.1900 0.042 1 856 192 195 GLY N N 104.6350 0.045 1 857 193 196 MET H H 7.3380 0.004 1 858 193 196 MET C C 176.6560 0.042 1 859 193 196 MET CA C 56.4710 0.042 1 860 193 196 MET CB C 32.5423 0.042 1 861 193 196 MET N N 120.0730 0.045 1 862 194 197 GLU H H 8.4510 0.004 1 863 194 197 GLU C C 178.7400 0.042 1 864 194 197 GLU CA C 56.0890 0.042 1 865 194 197 GLU CB C 30.7660 0.042 1 866 194 197 GLU N N 119.5260 0.045 1 867 195 198 GLU H H 9.1730 0.004 1 868 195 198 GLU C C 178.7400 0.042 1 869 195 198 GLU CA C 61.9227 0.042 1 870 195 198 GLU CB C 29.0230 0.042 1 871 195 198 GLU N N 126.3790 0.045 1 872 196 199 VAL H H 8.5060 0.004 1 873 196 199 VAL C C 178.5230 0.042 1 874 196 199 VAL CA C 65.9640 0.042 1 875 196 199 VAL CB C 31.3120 0.042 1 876 196 199 VAL N N 115.2400 0.045 1 877 197 200 GLN H H 6.9780 0.004 1 878 197 200 GLN C C 179.5430 0.042 1 879 197 200 GLN CA C 57.8310 0.042 1 880 197 200 GLN CB C 28.4870 0.042 1 881 197 200 GLN N N 120.6410 0.045 1 882 198 201 ALA H H 8.5120 0.004 1 883 198 201 ALA C C 179.6740 0.042 1 884 198 201 ALA CA C 55.2770 0.042 1 885 198 201 ALA CB C 18.7350 0.042 1 886 198 201 ALA N N 127.7580 0.045 1 887 199 202 LYS H H 8.5330 0.004 1 888 199 202 LYS C C 181.1330 0.042 1 889 199 202 LYS CA C 61.2380 0.042 1 890 199 202 LYS CB C 32.5600 0.042 1 891 199 202 LYS N N 117.5950 0.045 1 892 200 203 ALA H H 8.1990 0.004 1 893 200 203 ALA C C 180.3070 0.042 1 894 200 203 ALA CA C 55.9390 0.042 1 895 200 203 ALA CB C 18.4660 0.042 1 896 200 203 ALA N N 123.8920 0.045 1 897 201 204 SER H H 7.9730 0.004 1 898 201 204 SER C C 172.0200 0.042 1 899 201 204 SER CA C 61.9210 0.042 1 900 201 204 SER CB C 63.6380 0.042 1 901 201 204 SER N N 116.0740 0.045 1 902 202 205 LEU H H 7.4340 0.004 1 903 202 205 LEU C C 175.3730 0.042 1 904 202 205 LEU CA C 54.3140 0.042 1 905 202 205 LEU CB C 46.9900 0.042 1 906 202 205 LEU N N 118.8410 0.045 1 907 203 206 SER H H 7.6780 0.004 1 908 203 206 SER C C 173.3530 0.042 1 909 203 206 SER CA C 58.0099 0.042 1 910 203 206 SER CB C 65.5000 0.042 1 911 203 206 SER N N 113.8530 0.045 1 912 204 207 PHE H H 8.0900 0.004 1 913 204 207 PHE C C 177.5200 0.042 1 914 204 207 PHE CA C 62.0430 0.042 1 915 204 207 PHE CB C 40.4940 0.042 1 916 204 207 PHE N N 123.9930 0.045 1 917 205 208 TYR H H 8.6240 0.004 1 918 205 208 TYR CA C 64.5100 0.042 1 919 205 208 TYR N N 115.2110 0.045 1 920 206 209 PRO C C 177.3310 0.042 1 921 206 209 PRO CA C 67.4680 0.042 1 922 206 209 PRO CB C 32.3560 0.042 1 923 207 210 LEU H H 8.3260 0.004 1 924 207 210 LEU C C 179.6290 0.042 1 925 207 210 LEU CA C 58.3500 0.042 1 926 207 210 LEU CB C 41.1720 0.042 1 927 207 210 LEU N N 116.4370 0.045 1 928 208 211 GLY H H 7.7470 0.004 1 929 208 211 GLY C C 175.9780 0.042 1 930 208 211 GLY CA C 46.8520 0.042 1 931 208 211 GLY N N 107.2130 0.045 1 932 209 212 ILE H H 7.6180 0.004 1 933 209 212 ILE C C 177.4610 0.042 1 934 209 212 ILE CA C 64.6560 0.042 1 935 209 212 ILE CB C 38.0817 0.042 1 936 209 212 ILE N N 123.3310 0.045 1 937 210 213 LEU H H 7.9680 0.004 1 938 210 213 LEU C C 179.1460 0.042 1 939 210 213 LEU CA C 57.4060 0.042 1 940 210 213 LEU CB C 42.5380 0.042 1 941 210 213 LEU N N 117.5110 0.045 1 942 211 214 GLU H H 7.6120 0.004 1 943 211 214 GLU C C 177.5250 0.042 1 944 211 214 GLU CA C 58.7580 0.042 1 945 211 214 GLU CB C 29.1750 0.042 1 946 211 214 GLU N N 118.2460 0.045 1 947 212 215 ARG H H 7.3860 0.004 1 948 212 215 ARG C C 177.0140 0.042 1 949 212 215 ARG CA C 58.0850 0.042 1 950 212 215 ARG CB C 28.9710 0.042 1 951 212 215 ARG N N 116.2130 0.045 1 952 213 216 LEU H H 7.5190 0.004 1 953 213 216 LEU C C 176.2060 0.042 1 954 213 216 LEU CA C 54.7480 0.042 1 955 213 216 LEU CB C 42.3500 0.042 1 956 213 216 LEU N N 121.1070 0.045 1 957 214 217 LYS H H 7.3270 0.004 1 958 214 217 LYS CA C 57.9380 0.042 1 959 214 217 LYS N N 126.6470 0.045 1 stop_ save_