data_15178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone, C' and CB 13C, 15N and 1H chemical shift assignments for the RGS domain of the human Regulator of G-protein Signalling 3(RGS3)protein ; _BMRB_accession_number 15178 _BMRB_flat_file_name bmr15178.str _Entry_type original _Submission_date 2007-03-16 _Accession_date 2007-03-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details "Backbone, C' and CB 13C, 15N and 1H assignments of the RGS domain of human RGS3 protein" loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Higman Victoria A. . 2 Leidert Martina . . 3 Schmieder Peter . . 4 Bray James . . 5 Elkins Jon . . 6 Phillips Claire . . 7 Fedorov Oleg . . 8 Johannson Catrine . . 9 Smee Carol . . 10 Burgess Nicola . . 11 Doyle Declan . . 12 Yang Xiaowen . . 13 Berridge Georgine . . 14 Diehl Annette . . 15 Sundstrom Michael . . 16 Arrowsmith Cheryl . . 17 Weigelt Johan . . 18 Edwards Aled . . 19 Oschkinat Hartmut . . 20 Ball Linda J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 315 "13C chemical shifts" 418 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-04-28 update BMRB 'complete entry citation' 2007-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18434541 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soundararajan Meera . . 2 Willard Francis S. . 3 Kimple Adam J. . 4 Turnbull Andrew P. . 5 Ball Linda J. . 6 Schoch Guillaume A. . 7 Gileadi Carina . . 8 Fedorov Oleg Y. . 9 Dowler Elizabeth F. . 10 Higman Victoria A. . 11 Hutsell Stephanie Q. . 12 Sundstrom Michael . . 13 Doyle Declan A. . 14 Siderovski David P. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. USA' _Journal_volume 105 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6457 _Page_last 6462 _Year 2008 _Details . loop_ _Keyword 'regulator of G-protein signalling' 'RGS domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RGS3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RGS3 $RGS3 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_RGS3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RGS3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; SMDLSWLDLEKPTSEEALKW GESLEKLLVHKYGLAVFQAF LRTEFSEENLEFWLACEDFK KVKSQSKMASKAKKIFAEYI AIQACKEVNLDSYTREHTKD NLQSVTRGCFDLAQKRIFGL MEKDSYPRFLRSDLYLDLIN QKKM ; loop_ _Residue_seq_code _Residue_label 1 SER 2 MET 3 ASP 4 LEU 5 SER 6 TRP 7 LEU 8 ASP 9 LEU 10 GLU 11 LYS 12 PRO 13 THR 14 SER 15 GLU 16 GLU 17 ALA 18 LEU 19 LYS 20 TRP 21 GLY 22 GLU 23 SER 24 LEU 25 GLU 26 LYS 27 LEU 28 LEU 29 VAL 30 HIS 31 LYS 32 TYR 33 GLY 34 LEU 35 ALA 36 VAL 37 PHE 38 GLN 39 ALA 40 PHE 41 LEU 42 ARG 43 THR 44 GLU 45 PHE 46 SER 47 GLU 48 GLU 49 ASN 50 LEU 51 GLU 52 PHE 53 TRP 54 LEU 55 ALA 56 CYS 57 GLU 58 ASP 59 PHE 60 LYS 61 LYS 62 VAL 63 LYS 64 SER 65 GLN 66 SER 67 LYS 68 MET 69 ALA 70 SER 71 LYS 72 ALA 73 LYS 74 LYS 75 ILE 76 PHE 77 ALA 78 GLU 79 TYR 80 ILE 81 ALA 82 ILE 83 GLN 84 ALA 85 CYS 86 LYS 87 GLU 88 VAL 89 ASN 90 LEU 91 ASP 92 SER 93 TYR 94 THR 95 ARG 96 GLU 97 HIS 98 THR 99 LYS 100 ASP 101 ASN 102 LEU 103 GLN 104 SER 105 VAL 106 THR 107 ARG 108 GLY 109 CYS 110 PHE 111 ASP 112 LEU 113 ALA 114 GLN 115 LYS 116 ARG 117 ILE 118 PHE 119 GLY 120 LEU 121 MET 122 GLU 123 LYS 124 ASP 125 SER 126 TYR 127 PRO 128 ARG 129 PHE 130 LEU 131 ARG 132 SER 133 ASP 134 LEU 135 TYR 136 LEU 137 ASP 138 LEU 139 ILE 140 ASN 141 GLN 142 LYS 143 LYS 144 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2OJ4 "Crystal Structure Of Rgs3 Rgs Domain" 88.19 127 100.00 100.00 2.64e-86 DBJ BAB70766 "unnamed protein product [Homo sapiens]" 93.06 284 99.25 100.00 1.65e-90 DBJ BAC87285 "unnamed protein product [Homo sapiens]" 93.06 1198 100.00 100.00 1.40e-84 DBJ BAE90824 "unnamed protein product [Macaca fascicularis]" 93.06 366 100.00 100.00 1.08e-91 DBJ BAF82355 "unnamed protein product [Homo sapiens]" 93.06 519 100.00 100.00 3.53e-91 DBJ BAG53374 "unnamed protein product [Homo sapiens]" 93.06 591 100.00 100.00 2.28e-87 GB AAC50394 "RGP3 [Homo sapiens]" 93.06 519 100.00 100.00 3.53e-91 GB AAH18072 "RGS3 protein, partial [Homo sapiens]" 93.06 241 100.00 100.00 1.02e-91 GB AAH19039 "RGS3 protein, partial [Homo sapiens]" 93.06 235 100.00 100.00 1.02e-91 GB AAH42555 "Regulator of G-protein signaling 3 [Homo sapiens]" 93.06 917 100.00 100.00 2.19e-86 GB AAI23616 "Regulator of G-protein signaling 3 [Bos taurus]" 52.78 850 98.68 100.00 2.35e-41 PRF 2206475A "G protein signaling regulator" 93.06 519 100.00 100.00 3.53e-91 REF NP_001071441 "regulator of G-protein signaling 3 [Bos taurus]" 52.78 850 98.68 100.00 2.35e-41 REF NP_001263189 "regulator of G-protein signaling 3 isoform 2 [Homo sapiens]" 93.06 519 100.00 100.00 3.53e-91 REF NP_001263190 "regulator of G-protein signaling 3 isoform 7 [Homo sapiens]" 93.06 591 100.00 100.00 2.28e-87 REF NP_001263191 "regulator of G-protein signaling 3 isoform 4 [Homo sapiens]" 93.06 168 100.00 100.00 5.18e-92 REF NP_001269851 "regulator of G-protein signaling 3 isoform 2 [Homo sapiens]" 93.06 519 100.00 100.00 3.53e-91 SP P49796 "RecName: Full=Regulator of G-protein signaling 3; Short=RGP3; Short=RGS3" 93.06 1198 100.00 100.00 1.40e-84 TPG DAA26468 "TPA: regulator of G-protein signaling 3 [Bos taurus]" 52.78 850 98.68 100.00 3.46e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RGS3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $RGS3 'recombinant technology' . Escherichia coli . 'BL21 (DE3) - Rosetta (Novagen)' 'BL21 (DE3) strain enriched with genes that encode rare tRNAs' 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 $RGS3 0.2 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 1.0.13 loop_ _Vendor _Address _Electronic_address CCPNMR . . stop_ loop_ _Task 'chemical shift assignment' '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_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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 5.5 . pH pressure 1 . atm temperature 300 . 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 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D CBCANH' '3D HNCO' '3D HA(CO)NH' '3D HBHA(CO)NH' 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 RGS3 _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 MET HA H 4.446 0.010 1 2 2 2 MET HB2 H 2.006 0.010 1 3 2 2 MET HB3 H 2.006 0.010 1 4 2 2 MET C C 172.403 0.100 1 5 2 2 MET CA C 55.521 0.100 1 6 2 2 MET CB C 33.230 0.100 1 7 3 3 ASP H H 8.467 0.010 1 8 3 3 ASP HA H 4.570 0.010 1 9 3 3 ASP HB2 H 2.621 0.010 2 10 3 3 ASP HB3 H 2.710 0.010 2 11 3 3 ASP C C 173.322 0.100 1 12 3 3 ASP CA C 54.272 0.100 1 13 3 3 ASP CB C 41.146 0.100 1 14 3 3 ASP N N 123.124 0.050 1 15 4 4 LEU H H 8.426 0.010 1 16 4 4 LEU HA H 4.241 0.010 1 17 4 4 LEU HB2 H 1.456 0.010 1 18 4 4 LEU HB3 H 1.456 0.010 1 19 4 4 LEU C C 175.408 0.100 1 20 4 4 LEU CA C 54.413 0.100 1 21 4 4 LEU CB C 41.560 0.100 1 22 4 4 LEU N N 124.532 0.050 1 23 5 5 SER H H 8.534 0.010 1 24 5 5 SER HA H 4.202 0.010 1 25 5 5 SER C C 172.469 0.100 1 26 5 5 SER CA C 60.264 0.100 1 27 5 5 SER CB C 63.312 0.100 1 28 5 5 SER N N 117.531 0.050 1 29 6 6 TRP H H 7.576 0.010 1 30 6 6 TRP HA H 4.447 0.010 1 31 6 6 TRP HB2 H 3.318 0.010 1 32 6 6 TRP HB3 H 3.318 0.010 1 33 6 6 TRP C C 173.637 0.100 1 34 6 6 TRP CA C 56.985 0.100 1 35 6 6 TRP CB C 28.168 0.100 1 36 6 6 TRP N N 120.681 0.050 1 37 7 7 LEU H H 7.124 0.010 1 38 7 7 LEU HA H 3.907 0.010 1 39 7 7 LEU C C 174.313 0.100 1 40 7 7 LEU CA C 55.727 0.100 1 41 7 7 LEU CB C 41.804 0.100 1 42 7 7 LEU N N 122.239 0.050 1 43 8 8 ASP H H 8.067 0.010 1 44 8 8 ASP HA H 4.584 0.010 1 45 8 8 ASP HB2 H 2.628 0.010 2 46 8 8 ASP HB3 H 2.735 0.010 2 47 8 8 ASP C C 173.277 0.100 1 48 8 8 ASP CA C 54.437 0.100 1 49 8 8 ASP CB C 40.492 0.100 1 50 8 8 ASP N N 119.715 0.050 1 51 9 9 LEU H H 7.344 0.010 1 52 9 9 LEU HA H 4.464 0.010 1 53 9 9 LEU HB2 H 1.711 0.010 1 54 9 9 LEU HB3 H 1.711 0.010 1 55 9 9 LEU C C 174.099 0.100 1 56 9 9 LEU CA C 54.374 0.100 1 57 9 9 LEU CB C 44.508 0.100 1 58 9 9 LEU N N 119.459 0.050 1 59 10 10 GLU H H 8.448 0.010 1 60 10 10 GLU HA H 4.255 0.010 1 61 10 10 GLU HB2 H 2.019 0.010 1 62 10 10 GLU HB3 H 2.019 0.010 1 63 10 10 GLU C C 172.774 0.100 1 64 10 10 GLU CA C 55.999 0.100 1 65 10 10 GLU CB C 30.080 0.100 1 66 10 10 GLU N N 121.596 0.050 1 67 11 11 LYS H H 8.258 0.010 1 68 11 11 LYS CA C 54.940 0.100 1 69 11 11 LYS CB C 32.326 0.100 1 70 11 11 LYS N N 124.611 0.050 1 71 12 12 PRO HA H 4.684 0.010 1 72 12 12 PRO C C 173.564 0.100 1 73 12 12 PRO CA C 61.741 0.100 1 74 12 12 PRO CB C 31.982 0.100 1 75 13 13 THR H H 8.181 0.010 1 76 13 13 THR HA H 4.245 0.010 1 77 13 13 THR C C 172.982 0.100 1 78 13 13 THR CA C 60.929 0.100 1 79 13 13 THR CB C 71.016 0.100 1 80 13 13 THR N N 110.088 0.050 1 81 14 14 SER H H 8.821 0.010 1 82 14 14 SER HA H 3.957 0.010 1 83 14 14 SER C C 173.346 0.100 1 84 14 14 SER CA C 61.530 0.100 1 85 14 14 SER CB C 62.646 0.100 1 86 14 14 SER N N 116.576 0.050 1 87 15 15 GLU H H 8.224 0.010 1 88 15 15 GLU HA H 3.778 0.010 1 89 15 15 GLU HB2 H 1.815 0.010 2 90 15 15 GLU HB3 H 1.948 0.010 2 91 15 15 GLU C C 176.268 0.100 1 92 15 15 GLU CA C 60.005 0.100 1 93 15 15 GLU CB C 29.142 0.100 1 94 15 15 GLU N N 119.014 0.050 1 95 16 16 GLU H H 7.408 0.010 1 96 16 16 GLU HA H 3.752 0.010 1 97 16 16 GLU C C 175.682 0.100 1 98 16 16 GLU CA C 58.830 0.100 1 99 16 16 GLU CB C 30.167 0.100 1 100 16 16 GLU N N 118.878 0.050 1 101 17 17 ALA H H 7.518 0.010 1 102 17 17 ALA HA H 4.521 0.010 1 103 17 17 ALA HB H 1.741 0.010 1 104 17 17 ALA C C 178.182 0.100 1 105 17 17 ALA CA C 52.967 0.100 1 106 17 17 ALA CB C 17.324 0.100 1 107 17 17 ALA N N 120.288 0.050 1 108 18 18 LEU H H 8.370 0.010 1 109 18 18 LEU HA H 3.886 0.010 1 110 18 18 LEU HB2 H 1.378 0.010 2 111 18 18 LEU HB3 H 1.662 0.010 2 112 18 18 LEU C C 177.647 0.100 1 113 18 18 LEU CA C 58.000 0.100 1 114 18 18 LEU CB C 41.966 0.100 1 115 18 18 LEU N N 122.706 0.050 1 116 19 19 LYS H H 6.994 0.010 1 117 19 19 LYS HA H 4.023 0.010 1 118 19 19 LYS HB2 H 1.933 0.010 1 119 19 19 LYS HB3 H 1.933 0.010 1 120 19 19 LYS C C 175.784 0.100 1 121 19 19 LYS CA C 58.693 0.100 1 122 19 19 LYS CB C 31.774 0.100 1 123 19 19 LYS N N 118.114 0.050 1 124 20 20 TRP H H 7.344 0.010 1 125 20 20 TRP HA H 4.508 0.010 1 126 20 20 TRP C C 174.678 0.100 1 127 20 20 TRP CA C 55.996 0.100 1 128 20 20 TRP CB C 29.374 0.100 1 129 20 20 TRP N N 116.621 0.050 1 130 21 21 GLY H H 7.796 0.010 1 131 21 21 GLY HA2 H 3.821 0.010 2 132 21 21 GLY HA3 H 4.125 0.010 2 133 21 21 GLY C C 171.395 0.100 1 134 21 21 GLY CA C 45.382 0.100 1 135 21 21 GLY N N 102.845 0.050 1 136 22 22 GLU H H 7.857 0.010 1 137 22 22 GLU HA H 4.154 0.010 1 138 22 22 GLU HB2 H 2.054 0.010 2 139 22 22 GLU HB3 H 2.230 0.010 2 140 22 22 GLU C C 174.466 0.100 1 141 22 22 GLU CA C 58.270 0.100 1 142 22 22 GLU CB C 30.578 0.100 1 143 22 22 GLU N N 119.658 0.050 1 144 23 23 SER H H 6.903 0.010 1 145 23 23 SER HA H 4.447 0.010 1 146 23 23 SER HB2 H 3.958 0.010 2 147 23 23 SER HB3 H 4.242 0.010 2 148 23 23 SER C C 170.991 0.100 1 149 23 23 SER CA C 57.387 0.100 1 150 23 23 SER CB C 64.553 0.100 1 151 23 23 SER N N 110.400 0.050 1 152 24 24 LEU H H 8.551 0.010 1 153 24 24 LEU HA H 3.170 0.010 1 154 24 24 LEU C C 175.082 0.100 1 155 24 24 LEU CA C 56.980 0.100 1 156 24 24 LEU CB C 39.612 0.100 1 157 24 24 LEU N N 124.218 0.050 1 158 25 25 GLU H H 8.563 0.010 1 159 25 25 GLU HA H 3.715 0.010 1 160 25 25 GLU C C 175.435 0.100 1 161 25 25 GLU CA C 60.261 0.100 1 162 25 25 GLU CB C 29.336 0.100 1 163 25 25 GLU N N 116.713 0.050 1 164 26 26 LYS H H 7.304 0.010 1 165 26 26 LYS HA H 3.966 0.010 1 166 26 26 LYS C C 175.190 0.100 1 167 26 26 LYS CA C 58.198 0.100 1 168 26 26 LYS CB C 32.407 0.100 1 169 26 26 LYS N N 115.669 0.050 1 170 27 27 LEU H H 6.999 0.010 1 171 27 27 LEU HA H 3.602 0.010 1 172 27 27 LEU C C 173.900 0.100 1 173 27 27 LEU CA C 57.923 0.100 1 174 27 27 LEU CB C 41.919 0.100 1 175 27 27 LEU N N 120.109 0.050 1 176 28 28 LEU H H 7.212 0.010 1 177 28 28 LEU HA H 3.572 0.010 1 178 28 28 LEU C C 174.857 0.100 1 179 28 28 LEU CA C 56.313 0.100 1 180 28 28 LEU CB C 40.653 0.100 1 181 28 28 LEU N N 110.304 0.050 1 182 29 29 VAL H H 6.933 0.010 1 183 29 29 VAL HA H 4.197 0.010 1 184 29 29 VAL HB H 2.309 0.010 1 185 29 29 VAL C C 172.710 0.100 1 186 29 29 VAL CA C 61.580 0.100 1 187 29 29 VAL CB C 31.718 0.100 1 188 29 29 VAL N N 108.600 0.050 1 189 30 30 HIS H H 7.448 0.010 1 190 30 30 HIS HA H 4.525 0.010 1 191 30 30 HIS C C 172.928 0.100 1 192 30 30 HIS CA C 56.652 0.100 1 193 30 30 HIS CB C 33.498 0.100 1 194 30 30 HIS N N 125.711 0.050 1 195 31 31 LYS H H 8.697 0.010 1 196 31 31 LYS HA H 3.902 0.010 1 197 31 31 LYS C C 175.955 0.100 1 198 31 31 LYS CA C 60.347 0.100 1 199 31 31 LYS CB C 32.582 0.100 1 200 31 31 LYS N N 127.007 0.050 1 201 32 32 TYR H H 9.248 0.010 1 202 32 32 TYR HA H 4.153 0.010 1 203 32 32 TYR C C 174.831 0.100 1 204 32 32 TYR CA C 60.820 0.100 1 205 32 32 TYR CB C 40.092 0.100 1 206 32 32 TYR N N 122.993 0.050 1 207 33 33 GLY H H 8.257 0.010 1 208 33 33 GLY C C 171.704 0.100 1 209 33 33 GLY CA C 46.743 0.100 1 210 33 33 GLY N N 109.196 0.050 1 211 34 34 LEU H H 8.710 0.010 1 212 34 34 LEU HA H 3.647 0.010 1 213 34 34 LEU C C 175.634 0.100 1 214 34 34 LEU CA C 58.543 0.100 1 215 34 34 LEU CB C 42.027 0.100 1 216 34 34 LEU N N 121.095 0.050 1 217 35 35 ALA H H 7.053 0.010 1 218 35 35 ALA HA H 4.088 0.010 1 219 35 35 ALA C C 178.626 0.100 1 220 35 35 ALA CA C 55.110 0.100 1 221 35 35 ALA CB C 18.665 0.100 1 222 35 35 ALA N N 119.748 0.050 1 223 36 36 VAL H H 8.552 0.010 1 224 36 36 VAL HA H 3.967 0.010 1 225 36 36 VAL C C 174.827 0.100 1 226 36 36 VAL CA C 65.064 0.100 1 227 36 36 VAL CB C 31.464 0.100 1 228 36 36 VAL N N 116.794 0.050 1 229 37 37 PHE H H 8.619 0.010 1 230 37 37 PHE HA H 4.009 0.010 1 231 37 37 PHE C C 174.791 0.100 1 232 37 37 PHE CA C 59.605 0.100 1 233 37 37 PHE CB C 39.188 0.100 1 234 37 37 PHE N N 124.687 0.050 1 235 38 38 GLN H H 8.707 0.010 1 236 38 38 GLN HA H 3.442 0.010 1 237 38 38 GLN HB2 H 2.653 0.010 2 238 38 38 GLN HB3 H 2.799 0.010 2 239 38 38 GLN C C 174.860 0.100 1 240 38 38 GLN CA C 60.234 0.100 1 241 38 38 GLN CB C 28.200 0.100 1 242 38 38 GLN N N 119.065 0.050 1 243 39 39 ALA H H 7.651 0.010 1 244 39 39 ALA HA H 3.931 0.010 1 245 39 39 ALA HB H 1.571 0.010 1 246 39 39 ALA C C 177.839 0.100 1 247 39 39 ALA CA C 55.287 0.100 1 248 39 39 ALA CB C 17.775 0.100 1 249 39 39 ALA N N 120.222 0.050 1 250 40 40 PHE H H 8.420 0.010 1 251 40 40 PHE HA H 4.153 0.010 1 252 40 40 PHE C C 175.796 0.100 1 253 40 40 PHE CA C 61.683 0.100 1 254 40 40 PHE CB C 39.444 0.100 1 255 40 40 PHE N N 120.672 0.050 1 256 41 41 LEU H H 8.819 0.010 1 257 41 41 LEU HA H 3.495 0.010 1 258 41 41 LEU C C 177.458 0.100 1 259 41 41 LEU CA C 57.255 0.100 1 260 41 41 LEU CB C 40.348 0.100 1 261 41 41 LEU N N 121.091 0.050 1 262 42 42 ARG H H 8.076 0.010 1 263 42 42 ARG HA H 4.019 0.010 1 264 42 42 ARG C C 177.451 0.100 1 265 42 42 ARG CA C 59.759 0.100 1 266 42 42 ARG CB C 29.710 0.100 1 267 42 42 ARG N N 118.908 0.050 1 268 43 43 THR H H 7.436 0.010 1 269 43 43 THR HA H 3.862 0.010 1 270 43 43 THR C C 171.532 0.100 1 271 43 43 THR CA C 64.407 0.100 1 272 43 43 THR CB C 69.247 0.100 1 273 43 43 THR N N 111.544 0.050 1 274 44 44 GLU H H 6.724 0.010 1 275 44 44 GLU HA H 4.237 0.010 1 276 44 44 GLU C C 172.387 0.100 1 277 44 44 GLU CA C 55.079 0.100 1 278 44 44 GLU CB C 29.628 0.100 1 279 44 44 GLU N N 116.936 0.050 1 280 45 45 PHE H H 7.293 0.010 1 281 45 45 PHE HA H 4.419 0.010 1 282 45 45 PHE C C 173.176 0.100 1 283 45 45 PHE CA C 58.725 0.100 1 284 45 45 PHE CB C 35.877 0.100 1 285 45 45 PHE N N 117.215 0.050 1 286 46 46 SER H H 8.026 0.010 1 287 46 46 SER HA H 5.024 0.010 1 288 46 46 SER C C 172.837 0.100 1 289 46 46 SER CA C 57.169 0.100 1 290 46 46 SER CB C 64.508 0.100 1 291 46 46 SER N N 112.132 0.050 1 292 47 47 GLU H H 8.960 0.010 1 293 47 47 GLU HA H 3.810 0.010 1 294 47 47 GLU C C 174.741 0.100 1 295 47 47 GLU CA C 59.034 0.100 1 296 47 47 GLU CB C 29.017 0.100 1 297 47 47 GLU N N 122.939 0.050 1 298 48 48 GLU H H 10.065 0.010 1 299 48 48 GLU HA H 4.198 0.010 1 300 48 48 GLU C C 174.616 0.100 1 301 48 48 GLU CA C 60.076 0.100 1 302 48 48 GLU CB C 27.590 0.100 1 303 48 48 GLU N N 122.317 0.050 1 304 49 49 ASN H H 7.638 0.010 1 305 49 49 ASN HA H 4.503 0.010 1 306 49 49 ASN C C 173.840 0.100 1 307 49 49 ASN CA C 56.357 0.100 1 308 49 49 ASN CB C 38.554 0.100 1 309 49 49 ASN N N 117.325 0.050 1 310 50 50 LEU H H 6.760 0.010 1 311 50 50 LEU HA H 4.224 0.010 1 312 50 50 LEU C C 175.475 0.100 1 313 50 50 LEU CA C 56.491 0.100 1 314 50 50 LEU CB C 42.506 0.100 1 315 50 50 LEU N N 119.614 0.050 1 316 51 51 GLU H H 8.214 0.010 1 317 51 51 GLU HA H 3.864 0.010 1 318 51 51 GLU C C 176.847 0.100 1 319 51 51 GLU CA C 60.010 0.100 1 320 51 51 GLU CB C 29.429 0.100 1 321 51 51 GLU N N 119.358 0.050 1 322 52 52 PHE H H 8.465 0.010 1 323 52 52 PHE HA H 5.963 0.010 1 324 52 52 PHE C C 173.553 0.100 1 325 52 52 PHE CA C 60.072 0.100 1 326 52 52 PHE CB C 38.927 0.100 1 327 52 52 PHE N N 119.454 0.050 1 328 53 53 TRP H H 8.099 0.010 1 329 53 53 TRP HA H 6.118 0.010 1 330 53 53 TRP C C 175.512 0.100 1 331 53 53 TRP CA C 65.125 0.100 1 332 53 53 TRP CB C 29.639 0.100 1 333 53 53 TRP N N 122.422 0.050 1 334 54 54 LEU H H 8.966 0.010 1 335 54 54 LEU HA H 3.679 0.010 1 336 54 54 LEU C C 176.967 0.100 1 337 54 54 LEU CA C 57.425 0.100 1 338 54 54 LEU CB C 41.977 0.100 1 339 54 54 LEU N N 117.283 0.050 1 340 55 55 ALA H H 8.113 0.010 1 341 55 55 ALA HA H 4.084 0.010 1 342 55 55 ALA C C 178.445 0.100 1 343 55 55 ALA CA C 54.915 0.100 1 344 55 55 ALA CB C 17.192 0.100 1 345 55 55 ALA N N 124.677 0.050 1 346 56 56 CYS H H 7.572 0.010 1 347 56 56 CYS HA H 3.581 0.010 1 348 56 56 CYS C C 174.095 0.100 1 349 56 56 CYS CA C 63.823 0.100 1 350 56 56 CYS CB C 25.788 0.100 1 351 56 56 CYS N N 117.722 0.050 1 352 57 57 GLU H H 7.226 0.010 1 353 57 57 GLU HA H 3.545 0.010 1 354 57 57 GLU C C 176.364 0.100 1 355 57 57 GLU CA C 58.637 0.100 1 356 57 57 GLU CB C 28.967 0.100 1 357 57 57 GLU N N 118.935 0.050 1 358 58 58 ASP H H 7.794 0.010 1 359 58 58 ASP HA H 4.210 0.010 1 360 58 58 ASP C C 176.218 0.100 1 361 58 58 ASP CA C 57.215 0.100 1 362 58 58 ASP CB C 41.129 0.100 1 363 58 58 ASP N N 119.378 0.050 1 364 59 59 PHE H H 8.216 0.010 1 365 59 59 PHE HA H 3.924 0.010 1 366 59 59 PHE C C 173.385 0.100 1 367 59 59 PHE CA C 61.449 0.100 1 368 59 59 PHE CB C 39.155 0.100 1 369 59 59 PHE N N 122.399 0.050 1 370 60 60 LYS H H 7.393 0.010 1 371 60 60 LYS HA H 3.685 0.010 1 372 60 60 LYS C C 174.255 0.100 1 373 60 60 LYS CA C 58.854 0.100 1 374 60 60 LYS CB C 32.539 0.100 1 375 60 60 LYS N N 114.460 0.050 1 376 61 61 LYS H H 7.220 0.010 1 377 61 61 LYS HA H 4.137 0.010 1 378 61 61 LYS C C 174.186 0.100 1 379 61 61 LYS CA C 56.133 0.100 1 380 61 61 LYS CB C 32.988 0.100 1 381 61 61 LYS N N 116.505 0.050 1 382 62 62 VAL H H 7.280 0.010 1 383 62 62 VAL HA H 3.628 0.010 1 384 62 62 VAL C C 173.379 0.100 1 385 62 62 VAL CA C 63.773 0.100 1 386 62 62 VAL CB C 31.594 0.100 1 387 62 62 VAL N N 121.508 0.050 1 388 63 63 LYS H H 8.347 0.010 1 389 63 63 LYS HA H 4.224 0.010 1 390 63 63 LYS HB2 H 1.706 0.010 2 391 63 63 LYS HB3 H 1.845 0.010 2 392 63 63 LYS C C 174.123 0.100 1 393 63 63 LYS CA C 57.060 0.100 1 394 63 63 LYS CB C 33.644 0.100 1 395 63 63 LYS N N 124.944 0.050 1 396 64 64 SER H H 7.539 0.010 1 397 64 64 SER HA H 4.561 0.010 1 398 64 64 SER C C 172.517 0.100 1 399 64 64 SER CA C 56.779 0.100 1 400 64 64 SER CB C 64.122 0.100 1 401 64 64 SER N N 114.319 0.050 1 402 65 65 GLN H H 9.094 0.010 1 403 65 65 GLN HA H 3.983 0.010 1 404 65 65 GLN C C 175.662 0.100 1 405 65 65 GLN CA C 59.363 0.100 1 406 65 65 GLN CB C 28.142 0.100 1 407 65 65 GLN N N 128.490 0.050 1 408 66 66 SER H H 8.542 0.010 1 409 66 66 SER HA H 4.211 0.010 1 410 66 66 SER C C 174.935 0.100 1 411 66 66 SER CA C 61.190 0.100 1 412 66 66 SER CB C 62.043 0.100 1 413 66 66 SER N N 114.306 0.050 1 414 67 67 LYS H H 7.445 0.010 1 415 67 67 LYS HA H 4.274 0.010 1 416 67 67 LYS C C 176.082 0.100 1 417 67 67 LYS CA C 58.111 0.100 1 418 67 67 LYS CB C 32.316 0.100 1 419 67 67 LYS N N 122.485 0.050 1 420 68 68 MET H H 8.393 0.010 1 421 68 68 MET HA H 3.769 0.010 1 422 68 68 MET C C 175.222 0.100 1 423 68 68 MET CA C 60.139 0.100 1 424 68 68 MET CB C 33.845 0.100 1 425 68 68 MET N N 121.071 0.050 1 426 69 69 ALA H H 8.287 0.010 1 427 69 69 ALA HA H 4.104 0.010 1 428 69 69 ALA HB H 1.568 0.010 1 429 69 69 ALA C C 177.143 0.100 1 430 69 69 ALA CA C 56.094 0.100 1 431 69 69 ALA CB C 17.779 0.100 1 432 69 69 ALA N N 120.879 0.050 1 433 70 70 SER H H 7.818 0.010 1 434 70 70 SER HA H 4.247 0.010 1 435 70 70 SER C C 175.188 0.100 1 436 70 70 SER CA C 61.463 0.100 1 437 70 70 SER CB C 62.814 0.100 1 438 70 70 SER N N 112.147 0.050 1 439 71 71 LYS H H 8.497 0.010 1 440 71 71 LYS HA H 4.237 0.010 1 441 71 71 LYS C C 175.888 0.100 1 442 71 71 LYS CA C 59.029 0.100 1 443 71 71 LYS CB C 32.478 0.100 1 444 71 71 LYS N N 122.925 0.050 1 445 72 72 ALA H H 8.979 0.010 1 446 72 72 ALA HA H 4.146 0.010 1 447 72 72 ALA HB H 1.658 0.010 1 448 72 72 ALA C C 177.007 0.100 1 449 72 72 ALA CA C 55.415 0.100 1 450 72 72 ALA CB C 19.211 0.100 1 451 72 72 ALA N N 120.925 0.050 1 452 73 73 LYS H H 7.727 0.010 1 453 73 73 LYS HA H 3.976 0.010 1 454 73 73 LYS C C 176.569 0.100 1 455 73 73 LYS CA C 60.330 0.100 1 456 73 73 LYS CB C 32.347 0.100 1 457 73 73 LYS N N 116.397 0.050 1 458 74 74 LYS H H 7.586 0.010 1 459 74 74 LYS HA H 4.177 0.010 1 460 74 74 LYS C C 176.058 0.100 1 461 74 74 LYS CA C 59.732 0.100 1 462 74 74 LYS CB C 32.569 0.100 1 463 74 74 LYS N N 120.934 0.050 1 464 75 75 ILE H H 8.528 0.010 1 465 75 75 ILE HA H 3.823 0.010 1 466 75 75 ILE C C 175.988 0.100 1 467 75 75 ILE CA C 65.682 0.100 1 468 75 75 ILE CB C 37.779 0.100 1 469 75 75 ILE N N 120.864 0.050 1 470 76 76 PHE H H 8.763 0.010 1 471 76 76 PHE HA H 3.966 0.010 1 472 76 76 PHE C C 174.723 0.100 1 473 76 76 PHE CA C 62.030 0.100 1 474 76 76 PHE CB C 40.475 0.100 1 475 76 76 PHE N N 119.581 0.050 1 476 77 77 ALA H H 8.186 0.010 1 477 77 77 ALA HA H 3.998 0.010 1 478 77 77 ALA HB H 1.562 0.010 1 479 77 77 ALA C C 175.849 0.100 1 480 77 77 ALA CA C 54.590 0.100 1 481 77 77 ALA CB C 18.953 0.100 1 482 77 77 ALA N N 119.888 0.050 1 483 78 78 GLU H H 7.851 0.010 1 484 78 78 GLU HA H 3.990 0.010 1 485 78 78 GLU C C 173.247 0.100 1 486 78 78 GLU CA C 58.460 0.100 1 487 78 78 GLU CB C 30.742 0.100 1 488 78 78 GLU N N 115.846 0.050 1 489 79 79 TYR H H 7.621 0.010 1 490 79 79 TYR HA H 4.687 0.010 1 491 79 79 TYR C C 172.256 0.100 1 492 79 79 TYR CA C 58.050 0.100 1 493 79 79 TYR CB C 42.403 0.100 1 494 79 79 TYR N N 110.134 0.050 1 495 80 80 ILE H H 7.380 0.010 1 496 80 80 ILE HA H 3.906 0.010 1 497 80 80 ILE C C 172.328 0.100 1 498 80 80 ILE CA C 60.502 0.100 1 499 80 80 ILE CB C 37.087 0.100 1 500 80 80 ILE N N 116.000 0.050 1 501 81 81 ALA H H 7.105 0.010 1 502 81 81 ALA HA H 3.656 0.010 1 503 81 81 ALA C C 173.589 0.100 1 504 81 81 ALA CA C 51.795 0.100 1 505 81 81 ALA CB C 19.296 0.100 1 506 81 81 ALA N N 121.600 0.050 1 507 82 82 ILE H H 8.065 0.010 1 508 82 82 ILE HA H 3.729 0.010 1 509 82 82 ILE C C 175.520 0.100 1 510 82 82 ILE CA C 62.826 0.100 1 511 82 82 ILE CB C 37.150 0.100 1 512 82 82 ILE N N 120.075 0.050 1 513 83 83 GLN H H 8.587 0.010 1 514 83 83 GLN HA H 3.849 0.010 1 515 83 83 GLN C C 172.594 0.100 1 516 83 83 GLN CA C 57.539 0.100 1 517 83 83 GLN CB C 26.451 0.100 1 518 83 83 GLN N N 120.250 0.050 1 519 84 84 ALA H H 7.733 0.010 1 520 84 84 ALA HA H 3.823 0.010 1 521 84 84 ALA C C 176.404 0.100 1 522 84 84 ALA CA C 52.562 0.100 1 523 84 84 ALA CB C 19.211 0.100 1 524 84 84 ALA N N 122.539 0.050 1 525 85 85 CYS H H 8.753 0.010 1 526 85 85 CYS HA H 4.189 0.010 1 527 85 85 CYS C C 172.931 0.100 1 528 85 85 CYS CA C 60.502 0.100 1 529 85 85 CYS CB C 27.053 0.100 1 530 85 85 CYS N N 119.643 0.050 1 531 86 86 LYS H H 7.888 0.010 1 532 86 86 LYS HA H 4.459 0.010 1 533 86 86 LYS C C 170.600 0.100 1 534 86 86 LYS CA C 54.587 0.100 1 535 86 86 LYS CB C 32.780 0.100 1 536 86 86 LYS N N 122.307 0.050 1 537 87 87 GLU H H 6.421 0.010 1 538 87 87 GLU HA H 3.782 0.010 1 539 87 87 GLU C C 174.813 0.100 1 540 87 87 GLU CA C 56.778 0.100 1 541 87 87 GLU CB C 30.261 0.100 1 542 87 87 GLU N N 115.464 0.050 1 543 88 88 VAL H H 8.253 0.010 1 544 88 88 VAL HA H 4.587 0.010 1 545 88 88 VAL C C 173.460 0.100 1 546 88 88 VAL CA C 59.108 0.100 1 547 88 88 VAL CB C 33.436 0.100 1 548 88 88 VAL N N 120.350 0.050 1 549 89 89 ASN H H 8.879 0.010 1 550 89 89 ASN HA H 4.530 0.010 1 551 89 89 ASN C C 171.325 0.100 1 552 89 89 ASN CA C 53.471 0.100 1 553 89 89 ASN CB C 37.537 0.100 1 554 89 89 ASN N N 120.576 0.050 1 555 90 90 LEU H H 7.530 0.010 1 556 90 90 LEU HA H 4.492 0.010 1 557 90 90 LEU C C 173.075 0.100 1 558 90 90 LEU CA C 53.256 0.100 1 559 90 90 LEU CB C 45.751 0.100 1 560 90 90 LEU N N 123.847 0.050 1 561 91 91 ASP H H 8.140 0.010 1 562 91 91 ASP HA H 4.677 0.010 1 563 91 91 ASP C C 173.153 0.100 1 564 91 91 ASP CA C 52.428 0.100 1 565 91 91 ASP CB C 41.325 0.100 1 566 91 91 ASP N N 118.681 0.050 1 567 92 92 SER H H 8.848 0.010 1 568 92 92 SER HA H 4.086 0.010 1 569 92 92 SER C C 173.751 0.100 1 570 92 92 SER CA C 62.151 0.100 1 571 92 92 SER N N 116.133 0.050 1 572 93 93 TYR H H 8.327 0.010 1 573 93 93 TYR HA H 4.226 0.010 1 574 93 93 TYR C C 175.500 0.100 1 575 93 93 TYR CA C 61.871 0.100 1 576 93 93 TYR CB C 37.642 0.100 1 577 93 93 TYR N N 121.810 0.050 1 578 94 94 THR H H 8.407 0.010 1 579 94 94 THR C C 175.661 0.100 1 580 94 94 THR CA C 67.634 0.100 1 581 94 94 THR N N 118.352 0.050 1 582 95 95 ARG H H 8.542 0.010 1 583 95 95 ARG HA H 3.660 0.010 1 584 95 95 ARG C C 174.878 0.100 1 585 95 95 ARG CA C 61.642 0.100 1 586 95 95 ARG CB C 30.001 0.100 1 587 95 95 ARG N N 125.439 0.050 1 588 96 96 GLU H H 8.606 0.010 1 589 96 96 GLU HA H 3.966 0.010 1 590 96 96 GLU C C 175.838 0.100 1 591 96 96 GLU CA C 59.180 0.100 1 592 96 96 GLU CB C 28.924 0.100 1 593 96 96 GLU N N 119.445 0.050 1 594 97 97 HIS H H 8.481 0.010 1 595 97 97 HIS HA H 4.129 0.010 1 596 97 97 HIS C C 174.255 0.100 1 597 97 97 HIS CA C 59.063 0.100 1 598 97 97 HIS CB C 28.055 0.100 1 599 97 97 HIS N N 117.517 0.050 1 600 98 98 THR H H 7.857 0.010 1 601 98 98 THR HA H 3.752 0.010 1 602 98 98 THR C C 171.962 0.100 1 603 98 98 THR N N 114.949 0.050 1 604 99 99 LYS H H 8.155 0.010 1 605 99 99 LYS C C 176.943 0.100 1 606 99 99 LYS CA C 59.800 0.100 1 607 99 99 LYS CB C 31.682 0.100 1 608 99 99 LYS N N 121.853 0.050 1 609 100 100 ASP H H 8.085 0.010 1 610 100 100 ASP HA H 4.217 0.010 1 611 100 100 ASP C C 176.512 0.100 1 612 100 100 ASP CA C 57.066 0.100 1 613 100 100 ASP CB C 39.646 0.100 1 614 100 100 ASP N N 120.575 0.050 1 615 101 101 ASN H H 7.618 0.010 1 616 101 101 ASN HA H 4.290 0.010 1 617 101 101 ASN C C 174.012 0.100 1 618 101 101 ASN CA C 54.483 0.100 1 619 101 101 ASN CB C 38.387 0.100 1 620 101 101 ASN N N 121.067 0.050 1 621 102 102 LEU H H 7.343 0.010 1 622 102 102 LEU HA H 3.807 0.010 1 623 102 102 LEU C C 174.894 0.100 1 624 102 102 LEU CA C 56.141 0.100 1 625 102 102 LEU CB C 41.248 0.100 1 626 102 102 LEU N N 117.707 0.050 1 627 103 103 GLN H H 7.308 0.010 1 628 103 103 GLN HA H 3.995 0.010 1 629 103 103 GLN HB2 H 2.004 0.010 2 630 103 103 GLN HB3 H 2.116 0.010 2 631 103 103 GLN C C 174.110 0.100 1 632 103 103 GLN CA C 57.306 0.100 1 633 103 103 GLN CB C 28.962 0.100 1 634 103 103 GLN N N 115.316 0.050 1 635 104 104 SER H H 7.315 0.010 1 636 104 104 SER HA H 4.445 0.010 1 637 104 104 SER C C 170.687 0.100 1 638 104 104 SER CA C 56.340 0.100 1 639 104 104 SER CB C 62.087 0.100 1 640 104 104 SER N N 114.434 0.050 1 641 105 105 VAL H H 8.385 0.010 1 642 105 105 VAL C C 173.075 0.100 1 643 105 105 VAL CA C 65.184 0.100 1 644 105 105 VAL CB C 31.888 0.100 1 645 105 105 VAL N N 125.131 0.050 1 646 106 106 THR H H 8.151 0.010 1 647 106 106 THR HA H 4.727 0.010 1 648 106 106 THR C C 172.487 0.100 1 649 106 106 THR CA C 59.393 0.100 1 650 106 106 THR CB C 73.135 0.100 1 651 106 106 THR N N 118.767 0.050 1 652 107 107 ARG H H 8.784 0.010 1 653 107 107 ARG HA H 4.051 0.010 1 654 107 107 ARG C C 173.938 0.100 1 655 107 107 ARG CA C 58.851 0.100 1 656 107 107 ARG CB C 29.872 0.100 1 657 107 107 ARG N N 119.063 0.050 1 658 108 108 GLY H H 8.006 0.010 1 659 108 108 GLY C C 172.827 0.100 1 660 108 108 GLY CA C 44.911 0.100 1 661 108 108 GLY N N 105.995 0.050 1 662 109 109 CYS H H 7.678 0.010 1 663 109 109 CYS HA H 3.790 0.010 1 664 109 109 CYS C C 172.322 0.100 1 665 109 109 CYS CA C 62.524 0.100 1 666 109 109 CYS CB C 28.907 0.100 1 667 109 109 CYS N N 121.663 0.050 1 668 110 110 PHE H H 8.976 0.010 1 669 110 110 PHE HA H 4.994 0.010 1 670 110 110 PHE C C 172.392 0.100 1 671 110 110 PHE CA C 57.962 0.100 1 672 110 110 PHE CB C 40.203 0.100 1 673 110 110 PHE N N 112.646 0.050 1 674 111 111 ASP H H 7.736 0.010 1 675 111 111 ASP HA H 4.265 0.010 1 676 111 111 ASP C C 176.058 0.100 1 677 111 111 ASP CA C 58.794 0.100 1 678 111 111 ASP CB C 39.818 0.100 1 679 111 111 ASP N N 121.597 0.050 1 680 112 112 LEU H H 8.510 0.010 1 681 112 112 LEU HA H 4.162 0.010 1 682 112 112 LEU C C 176.821 0.100 1 683 112 112 LEU CA C 58.430 0.100 1 684 112 112 LEU CB C 41.569 0.100 1 685 112 112 LEU N N 120.475 0.050 1 686 113 113 ALA H H 8.662 0.010 1 687 113 113 ALA HA H 3.984 0.010 1 688 113 113 ALA C C 176.127 0.100 1 689 113 113 ALA CA C 55.293 0.100 1 690 113 113 ALA CB C 18.690 0.100 1 691 113 113 ALA N N 122.051 0.050 1 692 114 114 GLN H H 9.822 0.010 1 693 114 114 GLN HA H 3.902 0.010 1 694 114 114 GLN C C 175.577 0.100 1 695 114 114 GLN CA C 60.373 0.100 1 696 114 114 GLN CB C 27.910 0.100 1 697 114 114 GLN N N 118.909 0.050 1 698 115 115 LYS H H 8.241 0.010 1 699 115 115 LYS HA H 4.252 0.010 1 700 115 115 LYS C C 177.648 0.100 1 701 115 115 LYS CA C 59.753 0.100 1 702 115 115 LYS CB C 32.390 0.100 1 703 115 115 LYS N N 119.437 0.050 1 704 116 116 ARG H H 8.174 0.010 1 705 116 116 ARG HA H 4.276 0.010 1 706 116 116 ARG C C 176.711 0.100 1 707 116 116 ARG CA C 58.526 0.100 1 708 116 116 ARG CB C 29.177 0.100 1 709 116 116 ARG N N 120.795 0.050 1 710 117 117 ILE H H 8.412 0.010 1 711 117 117 ILE HA H 4.151 0.010 1 712 117 117 ILE C C 175.310 0.100 1 713 117 117 ILE CA C 61.944 0.100 1 714 117 117 ILE CB C 35.992 0.100 1 715 117 117 ILE N N 121.250 0.050 1 716 118 118 PHE H H 9.256 0.010 1 717 118 118 PHE HA H 3.777 0.010 1 718 118 118 PHE C C 174.409 0.100 1 719 118 118 PHE CA C 62.958 0.100 1 720 118 118 PHE CB C 39.285 0.100 1 721 118 118 PHE N N 123.663 0.050 1 722 119 119 GLY H H 8.296 0.010 1 723 119 119 GLY C C 173.709 0.100 1 724 119 119 GLY CA C 47.037 0.100 1 725 119 119 GLY N N 104.547 0.050 1 726 120 120 LEU H H 7.910 0.010 1 727 120 120 LEU HA H 4.238 0.010 1 728 120 120 LEU C C 177.318 0.100 1 729 120 120 LEU CA C 58.133 0.100 1 730 120 120 LEU CB C 41.822 0.100 1 731 120 120 LEU N N 122.935 0.050 1 732 121 121 MET H H 8.053 0.010 1 733 121 121 MET HA H 4.229 0.010 1 734 121 121 MET C C 175.360 0.100 1 735 121 121 MET CA C 60.197 0.100 1 736 121 121 MET CB C 35.232 0.100 1 737 121 121 MET N N 118.031 0.050 1 738 122 122 GLU H H 8.562 0.010 1 739 122 122 GLU HA H 3.526 0.010 1 740 122 122 GLU C C 174.016 0.100 1 741 122 122 GLU CA C 59.957 0.100 1 742 122 122 GLU CB C 30.433 0.100 1 743 122 122 GLU N N 118.199 0.050 1 744 123 123 LYS H H 7.663 0.010 1 745 123 123 LYS HA H 4.332 0.010 1 746 123 123 LYS HB2 H 1.917 0.010 1 747 123 123 LYS HB3 H 1.917 0.010 1 748 123 123 LYS C C 174.040 0.100 1 749 123 123 LYS CA C 57.017 0.100 1 750 123 123 LYS CB C 33.459 0.100 1 751 123 123 LYS N N 113.894 0.050 1 752 124 124 ASP H H 7.808 0.010 1 753 124 124 ASP HA H 5.041 0.010 1 754 124 124 ASP HB2 H 2.860 0.010 1 755 124 124 ASP HB3 H 2.860 0.010 1 756 124 124 ASP C C 173.123 0.100 1 757 124 124 ASP CA C 55.588 0.100 1 758 124 124 ASP CB C 42.702 0.100 1 759 124 124 ASP N N 116.993 0.050 1 760 125 125 SER H H 7.581 0.010 1 761 125 125 SER HA H 4.392 0.010 1 762 125 125 SER C C 173.236 0.100 1 763 125 125 SER CA C 61.903 0.100 1 764 125 125 SER CB C 63.578 0.100 1 765 125 125 SER N N 114.272 0.050 1 766 126 126 TYR H H 9.044 0.010 1 767 126 126 TYR CA C 61.863 0.100 1 768 126 126 TYR CB C 36.532 0.100 1 769 126 126 TYR N N 121.788 0.050 1 770 127 127 PRO HA H 3.738 0.010 1 771 127 127 PRO C C 176.977 0.100 1 772 127 127 PRO CA C 65.751 0.100 1 773 127 127 PRO CB C 30.683 0.100 1 774 128 128 ARG H H 6.676 0.010 1 775 128 128 ARG HA H 3.935 0.010 1 776 128 128 ARG C C 176.642 0.100 1 777 128 128 ARG CA C 59.830 0.100 1 778 128 128 ARG CB C 30.575 0.100 1 779 128 128 ARG N N 113.809 0.050 1 780 129 129 PHE H H 8.486 0.010 1 781 129 129 PHE HA H 5.548 0.010 1 782 129 129 PHE C C 175.332 0.100 1 783 129 129 PHE CA C 60.608 0.100 1 784 129 129 PHE CB C 38.401 0.100 1 785 129 129 PHE N N 124.892 0.050 1 786 130 130 LEU H H 7.279 0.010 1 787 130 130 LEU HA H 6.021 0.010 1 788 130 130 LEU C C 173.286 0.100 1 789 130 130 LEU CA C 55.720 0.100 1 790 130 130 LEU CB C 40.602 0.100 1 791 130 130 LEU N N 117.551 0.050 1 792 131 131 ARG H H 6.740 0.010 1 793 131 131 ARG HA H 4.393 0.010 1 794 131 131 ARG C C 172.940 0.100 1 795 131 131 ARG CA C 54.395 0.100 1 796 131 131 ARG CB C 30.672 0.100 1 797 131 131 ARG N N 113.891 0.050 1 798 132 132 SER H H 7.685 0.010 1 799 132 132 SER HA H 4.366 0.010 1 800 132 132 SER C C 171.410 0.100 1 801 132 132 SER CA C 58.353 0.100 1 802 132 132 SER CB C 65.778 0.100 1 803 132 132 SER N N 118.438 0.050 1 804 133 133 ASP H H 8.855 0.010 1 805 133 133 ASP HA H 4.243 0.010 1 806 133 133 ASP C C 174.854 0.100 1 807 133 133 ASP CA C 57.445 0.100 1 808 133 133 ASP CB C 39.852 0.100 1 809 133 133 ASP N N 122.353 0.050 1 810 134 134 LEU H H 7.614 0.010 1 811 134 134 LEU HA H 4.074 0.010 1 812 134 134 LEU C C 175.316 0.100 1 813 134 134 LEU CA C 57.840 0.100 1 814 134 134 LEU CB C 42.870 0.100 1 815 134 134 LEU N N 117.931 0.050 1 816 135 135 TYR H H 7.032 0.010 1 817 135 135 TYR HA H 4.078 0.010 1 818 135 135 TYR C C 174.565 0.100 1 819 135 135 TYR CA C 60.707 0.100 1 820 135 135 TYR CB C 38.764 0.100 1 821 135 135 TYR N N 116.533 0.050 1 822 136 136 LEU H H 8.375 0.010 1 823 136 136 LEU HA H 3.559 0.010 1 824 136 136 LEU C C 176.921 0.100 1 825 136 136 LEU CA C 57.442 0.100 1 826 136 136 LEU CB C 40.712 0.100 1 827 136 136 LEU N N 117.745 0.050 1 828 137 137 ASP H H 8.258 0.010 1 829 137 137 ASP HA H 4.290 0.010 1 830 137 137 ASP C C 175.903 0.100 1 831 137 137 ASP CA C 56.658 0.100 1 832 137 137 ASP CB C 40.659 0.100 1 833 137 137 ASP N N 117.210 0.050 1 834 138 138 LEU H H 7.336 0.010 1 835 138 138 LEU HA H 3.988 0.010 1 836 138 138 LEU C C 176.316 0.100 1 837 138 138 LEU CA C 56.354 0.100 1 838 138 138 LEU CB C 42.127 0.100 1 839 138 138 LEU N N 117.577 0.050 1 840 139 139 ILE H H 6.970 0.010 1 841 139 139 ILE HA H 3.945 0.010 1 842 139 139 ILE C C 173.354 0.100 1 843 139 139 ILE CA C 61.944 0.100 1 844 139 139 ILE CB C 37.694 0.100 1 845 139 139 ILE N N 110.607 0.050 1 846 140 140 ASN H H 7.592 0.010 1 847 140 140 ASN HA H 4.621 0.010 1 848 140 140 ASN C C 172.106 0.100 1 849 140 140 ASN CA C 53.139 0.100 1 850 140 140 ASN CB C 38.264 0.100 1 851 140 140 ASN N N 119.750 0.050 1 852 141 141 GLN H H 7.633 0.010 1 853 141 141 GLN HA H 4.196 0.010 1 854 141 141 GLN C C 172.970 0.100 1 855 141 141 GLN CA C 56.113 0.100 1 856 141 141 GLN CB C 30.029 0.100 1 857 141 141 GLN N N 119.218 0.050 1 858 142 142 LYS H H 8.261 0.010 1 859 142 142 LYS HA H 4.210 0.010 1 860 142 142 LYS C C 173.479 0.100 1 861 142 142 LYS CA C 56.162 0.100 1 862 142 142 LYS CB C 32.972 0.100 1 863 142 142 LYS N N 122.452 0.050 1 864 143 143 LYS H H 8.342 0.010 1 865 143 143 LYS HA H 4.245 0.010 1 866 143 143 LYS C C 172.912 0.100 1 867 143 143 LYS CA C 56.374 0.100 1 868 143 143 LYS CB C 32.835 0.100 1 869 143 143 LYS N N 123.978 0.050 1 870 144 144 MET H H 8.010 0.010 1 871 144 144 MET CA C 56.711 0.100 1 872 144 144 MET CB C 33.533 0.100 1 873 144 144 MET N N 127.648 0.050 1 stop_ save_