data_15430 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The chemical shift assignment of gamma subunit of phosphodiesterase ; _BMRB_accession_number 15430 _BMRB_flat_file_name bmr15430.str _Entry_type original _Submission_date 2007-08-14 _Accession_date 2007-08-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The deposited chemical shifts were assigned only for the protein A68-PDEgamma, in which no paramagnetic relaxation enhancement probe was added. The structures deposited in PDB (2ju4) were calculated using the combined distance restraints derived from ten single PDEgamma mutants (on each mutant a native residue was replaced by the 3-maleimido-PROXYL-cysteine residue). As a result, the PDB structures contain 10 mutated residues which do not coexist in the process of NMR structure determination. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Guo Lian-Wang . . 3 Ruoho Arnold E. . 4 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 375 "13C chemical shifts" 325 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2009-06-18 update BMRB 'added time domain data' 2008-07-28 update BMRB 'complete entry citation' 2007-08-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Intrinsically disordered gamma-subunit of cGMP phosphodiesterase encodes functionally relevant transient secondary and tertiary structure' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18230733 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Guo Lian-Wang . . 3 Muradov Hakim . . 4 Artemyev Nikolai O. . 5 Ruoho Arnold E. . 6 Markley John L. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 105 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1505 _Page_last 1510 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PDEgamma _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PDEgamma $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PDEgamma _Molecular_mass 13286.163 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MNLEPPKAEIRSATRVMGGP VTPRKGPPKFKQRQTRQFKS KPPKKGVQGFGDDIPGMEGL GTDITVIAPWEAFNHLELHE LAQYGII ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LEU 4 GLU 5 PRO 6 PRO 7 LYS 8 ALA 9 GLU 10 ILE 11 ARG 12 SER 13 ALA 14 THR 15 ARG 16 VAL 17 MET 18 GLY 19 GLY 20 PRO 21 VAL 22 THR 23 PRO 24 ARG 25 LYS 26 GLY 27 PRO 28 PRO 29 LYS 30 PHE 31 LYS 32 GLN 33 ARG 34 GLN 35 THR 36 ARG 37 GLN 38 PHE 39 LYS 40 SER 41 LYS 42 PRO 43 PRO 44 LYS 45 LYS 46 GLY 47 VAL 48 GLN 49 GLY 50 PHE 51 GLY 52 ASP 53 ASP 54 ILE 55 PRO 56 GLY 57 MET 58 GLU 59 GLY 60 LEU 61 GLY 62 THR 63 ASP 64 ILE 65 THR 66 VAL 67 ILE 68 ALA 69 PRO 70 TRP 71 GLU 72 ALA 73 PHE 74 ASN 75 HIS 76 LEU 77 GLU 78 LEU 79 HIS 80 GLU 81 LEU 82 ALA 83 GLN 84 TYR 85 GLY 86 ILE 87 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 EMBL CAA27821 "unnamed protein product [Bos taurus]" 100.00 87 98.85 98.85 4.67e-55 EMBL CAA28507 "unnamed protein product [Bos taurus]" 100.00 87 98.85 98.85 4.67e-55 EMBL CAA93815 "cGMP-phosphodiesterase gamma subunit [Canis lupus familiaris]" 100.00 87 97.70 98.85 2.15e-54 EMBL CAD10146 "cGMP phosphodiesterase gamma subunit [Felis catus]" 100.00 87 97.70 98.85 2.15e-54 GB AAA61950 "cGMP phosphodiesterase gamma inhibitory subunit [synthetic construct]" 100.00 87 97.70 97.70 6.11e-54 GB AAB00116 "cyclic-GMP phosphodiesterase gamma subunit [Canis lupus familiaris]" 100.00 87 97.70 98.85 2.15e-54 GB AAB40379 "cyclic-GMP phosphodiesterase gamma subunit [Canis lupus familiaris]" 100.00 87 97.70 98.85 2.15e-54 GB EDM06834 "rCG33796, isoform CRA_b [Rattus norvegicus]" 100.00 87 97.70 98.85 1.24e-54 GB EDM06835 "rCG33796, isoform CRA_b [Rattus norvegicus]" 100.00 87 97.70 98.85 1.24e-54 PRF 1212259A "phosphodiesterase gamma,cGMP" 100.00 87 98.85 98.85 4.67e-55 REF NP_001003235 "retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Canis lupus familiaris]" 100.00 87 97.70 98.85 2.15e-54 REF NP_776846 "retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Bos taurus]" 100.00 87 98.85 98.85 4.67e-55 REF XP_001081804 "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Rattus norvegicus]" 100.00 87 97.70 98.85 1.24e-54 REF XP_001081805 "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Rattus norvegicus]" 100.00 87 97.70 98.85 1.24e-54 REF XP_001488767 "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Equus caballus]" 100.00 87 97.70 97.70 3.32e-54 SP P04972 "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" 100.00 87 98.85 98.85 4.67e-55 SP P54827 "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" 100.00 87 97.70 98.85 2.15e-54 SP P61248 "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" 100.00 87 97.70 98.85 2.15e-54 TPG DAA18226 "TPA: phosphodiesterase 6G [Bos taurus]" 100.00 87 98.85 98.85 4.67e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . pTXBI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05 mM '[U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.09 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05 mM [U-15N] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.05 mM '[U-100% 15N]' 'Ascorbic Acid' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 4 0.2 pH pressure 1 . atm temperature 298 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 HCCH-TOCSY' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PDEgamma _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 1 MET HA H 4.143 0.05 . 2 1 1 MET HB3 H 2.186 0.05 . 3 1 1 MET HG3 H 2.588 0.05 . 4 1 1 MET C C 171.869 0.15 . 5 1 1 MET CA C 55.126 0.15 . 6 1 1 MET CB C 32.837 0.15 . 7 1 1 MET CG C 34.026 0.15 . 8 2 2 ASN H H 8.929 0.05 . 9 2 2 ASN HA H 4.808 0.05 . 10 2 2 ASN HB3 H 2.771 0.05 . 11 2 2 ASN C C 174.442 0.15 . 12 2 2 ASN CA C 53.240 0.15 . 13 2 2 ASN CB C 38.969 0.15 . 14 2 2 ASN N N 122.491 0.15 . 15 3 3 LEU H H 8.501 0.05 . 16 3 3 LEU HA H 4.391 0.05 . 17 3 3 LEU HB2 H 1.611 0.05 . 18 3 3 LEU HD1 H 0.878 0.05 . 19 3 3 LEU HD2 H 0.936 0.05 . 20 3 3 LEU C C 176.918 0.15 . 21 3 3 LEU CA C 55.132 0.15 . 22 3 3 LEU CB C 42.399 0.15 . 23 3 3 LEU CD1 C 23.426 0.15 . 24 3 3 LEU CD2 C 24.983 0.15 . 25 3 3 LEU N N 123.911 0.15 . 26 4 4 GLU H H 8.366 0.05 . 27 4 4 GLU CA C 53.784 0.15 . 28 4 4 GLU CB C 29.042 0.15 . 29 4 4 GLU N N 123.000 0.15 . 30 6 6 PRO HA H 4.418 0.05 . 31 6 6 PRO HB2 H 2.196 0.05 . 32 6 6 PRO HB3 H 2.250 0.05 . 33 6 6 PRO HD2 H 3.859 0.05 . 34 6 6 PRO C C 176.966 0.15 . 35 6 6 PRO CA C 62.919 0.15 . 36 6 6 PRO CB C 32.158 0.15 . 37 6 6 PRO CG C 27.229 0.15 . 38 7 7 LYS H H 8.372 0.05 . 39 7 7 LYS HA H 4.270 0.05 . 40 7 7 LYS HB3 H 1.814 0.05 . 41 7 7 LYS HD3 H 1.739 0.05 . 42 7 7 LYS HE3 H 3.014 0.05 . 43 7 7 LYS HG3 H 1.473 0.05 . 44 7 7 LYS C C 176.435 0.15 . 45 7 7 LYS CA C 56.299 0.15 . 46 7 7 LYS CB C 33.165 0.15 . 47 7 7 LYS CD C 28.933 0.15 . 48 7 7 LYS CE C 40.230 0.15 . 49 7 7 LYS CG C 24.716 0.15 . 50 7 7 LYS N N 121.727 0.15 . 51 8 8 ALA H H 8.352 0.05 . 52 8 8 ALA HA H 4.317 0.05 . 53 8 8 ALA C C 177.527 0.15 . 54 8 8 ALA CA C 52.397 0.15 . 55 8 8 ALA CB C 19.340 0.15 . 56 8 8 ALA N N 125.285 0.15 . 57 9 9 GLU H H 8.397 0.05 . 58 9 9 GLU HA H 4.330 0.05 . 59 9 9 GLU HB3 H 1.995 0.05 . 60 9 9 GLU HG2 H 2.357 0.05 . 61 9 9 GLU C C 176.183 0.15 . 62 9 9 GLU CA C 56.014 0.15 . 63 9 9 GLU CB C 29.784 0.15 . 64 9 9 GLU CG C 34.679 0.15 . 65 9 9 GLU N N 120.598 0.15 . 66 10 10 ILE H H 8.289 0.05 . 67 10 10 ILE HA H 4.166 0.05 . 68 10 10 ILE HB H 1.880 0.05 . 69 10 10 ILE HD1 H 0.859 0.05 . 70 10 10 ILE HG12 H 1.214 0.05 . 71 10 10 ILE HG13 H 1.501 0.05 . 72 10 10 ILE HG2 H 0.913 0.05 . 73 10 10 ILE C C 176.308 0.15 . 74 10 10 ILE CA C 61.279 0.15 . 75 10 10 ILE CB C 38.666 0.15 . 76 10 10 ILE CD1 C 12.714 0.15 . 77 10 10 ILE CG1 C 27.278 0.15 . 78 10 10 ILE CG2 C 17.530 0.15 . 79 10 10 ILE N N 123.217 0.15 . 80 11 11 ARG H H 8.511 0.05 . 81 11 11 ARG HA H 4.412 0.05 . 82 11 11 ARG HB3 H 1.811 0.05 . 83 11 11 ARG HD3 H 3.204 0.05 . 84 11 11 ARG HG3 H 1.641 0.05 . 85 11 11 ARG C C 176.192 0.15 . 86 11 11 ARG CA C 55.838 0.15 . 87 11 11 ARG CB C 30.942 0.15 . 88 11 11 ARG CD C 41.958 0.15 . 89 11 11 ARG CG C 27.206 0.15 . 90 11 11 ARG N N 125.820 0.15 . 91 12 12 SER H H 8.358 0.05 . 92 12 12 SER HA H 4.440 0.05 . 93 12 12 SER HB2 H 3.874 0.05 . 94 12 12 SER C C 174.314 0.15 . 95 12 12 SER CA C 58.228 0.15 . 96 12 12 SER CB C 63.909 0.15 . 97 12 12 SER N N 117.445 0.15 . 98 13 13 ALA H H 8.477 0.05 . 99 13 13 ALA HA H 4.415 0.05 . 100 13 13 ALA HB H 1.437 0.05 . 101 13 13 ALA C C 177.851 0.15 . 102 13 13 ALA CA C 52.717 0.15 . 103 13 13 ALA CB C 19.383 0.15 . 104 13 13 ALA N N 126.365 0.15 . 105 14 14 THR H H 8.156 0.05 . 106 14 14 THR HA H 4.297 0.05 . 107 14 14 THR HB H 4.193 0.05 . 108 14 14 THR HG2 H 1.219 0.05 . 109 14 14 THR C C 174.373 0.15 . 110 14 14 THR CA C 62.074 0.15 . 111 14 14 THR CB C 69.773 0.15 . 112 14 14 THR CG2 C 21.724 0.15 . 113 14 14 THR N N 113.921 0.15 . 114 15 15 ARG H H 8.350 0.05 . 115 15 15 ARG HA H 4.390 0.05 . 116 15 15 ARG HB3 H 1.804 0.05 . 117 15 15 ARG HD3 H 3.197 0.05 . 118 15 15 ARG HG2 H 1.795 0.05 . 119 15 15 ARG HG3 H 1.627 0.05 . 120 15 15 ARG C C 175.896 0.15 . 121 15 15 ARG CA C 56.053 0.15 . 122 15 15 ARG CB C 30.979 0.15 . 123 15 15 ARG CD C 43.415 0.15 . 124 15 15 ARG CG C 27.054 0.15 . 125 15 15 ARG N N 124.199 0.15 . 126 16 16 VAL H H 8.300 0.05 . 127 16 16 VAL HA H 4.103 0.05 . 128 16 16 VAL HB H 2.057 0.05 . 129 16 16 VAL HG2 H 0.949 0.05 . 130 16 16 VAL C C 176.195 0.15 . 131 16 16 VAL CA C 62.447 0.15 . 132 16 16 VAL CB C 32.808 0.15 . 133 16 16 VAL CG2 C 20.752 0.15 . 134 16 16 VAL N N 122.659 0.15 . 135 17 17 MET H H 8.574 0.05 . 136 17 17 MET HA H 4.564 0.05 . 137 17 17 MET HB2 H 2.082 0.05 . 138 17 17 MET HG3 H 2.585 0.05 . 139 17 17 MET C C 176.459 0.15 . 140 17 17 MET CA C 55.320 0.15 . 141 17 17 MET CB C 32.894 0.15 . 142 17 17 MET CG C 33.756 0.15 . 143 17 17 MET N N 125.176 0.15 . 144 18 18 GLY H H 8.433 0.05 . 145 18 18 GLY HA2 H 4.016 0.05 . 146 18 18 GLY C C 174.106 0.15 . 147 18 18 GLY CA C 45.264 0.15 . 148 18 18 GLY N N 110.462 0.15 . 149 19 19 GLY H H 8.173 0.05 . 150 19 19 GLY CA C 44.525 0.15 . 151 19 19 GLY N N 108.828 0.15 . 152 20 20 PRO HA H 4.486 0.05 . 153 20 20 PRO HB2 H 2.276 0.05 . 154 20 20 PRO HB3 H 1.972 0.05 . 155 20 20 PRO HD3 H 3.651 0.05 . 156 20 20 PRO HG2 H 1.637 0.05 . 157 20 20 PRO C C 177.267 0.15 . 158 20 20 PRO CA C 63.011 0.15 . 159 20 20 PRO CB C 31.981 0.15 . 160 20 20 PRO CD C 49.818 0.15 . 161 20 20 PRO CG C 27.083 0.15 . 162 21 21 VAL H H 8.376 0.05 . 163 21 21 VAL HA H 4.167 0.05 . 164 21 21 VAL HB H 1.962 0.05 . 165 21 21 VAL HG2 H 0.956 0.05 . 166 21 21 VAL C C 176.368 0.15 . 167 21 21 VAL CA C 62.522 0.15 . 168 21 21 VAL CB C 32.722 0.15 . 169 21 21 VAL CG2 C 20.766 0.15 . 170 21 21 VAL N N 120.972 0.15 . 171 22 22 THR H H 8.329 0.05 . 172 22 22 THR HA H 4.617 0.05 . 173 22 22 THR HB H 4.128 0.05 . 174 22 22 THR HG2 H 1.258 0.05 . 175 22 22 THR CA C 59.721 0.15 . 176 22 22 THR CB C 69.854 0.15 . 177 22 22 THR CG2 C 21.613 0.15 . 178 22 22 THR N N 121.474 0.15 . 179 23 23 PRO HA H 4.329 0.05 . 180 23 23 PRO HB2 H 2.322 0.05 . 181 23 23 PRO HB3 H 1.932 0.05 . 182 23 23 PRO HD2 H 3.739 0.05 . 183 23 23 PRO HD3 H 3.947 0.05 . 184 23 23 PRO HG3 H 2.318 0.05 . 185 23 23 PRO C C 176.721 0.15 . 186 23 23 PRO CA C 63.059 0.15 . 187 23 23 PRO CB C 32.064 0.15 . 188 23 23 PRO CD C 51.271 0.15 . 189 23 23 PRO CG C 27.290 0.15 . 190 24 24 ARG H H 8.463 0.05 . 191 24 24 ARG HA H 4.306 0.05 . 192 24 24 ARG HB3 H 1.803 0.05 . 193 24 24 ARG HD3 H 3.201 0.05 . 194 24 24 ARG HG3 H 1.692 0.05 . 195 24 24 ARG C C 176.310 0.15 . 196 24 24 ARG CA C 56.017 0.15 . 197 24 24 ARG CB C 30.866 0.15 . 198 24 24 ARG CD C 43.373 0.15 . 199 24 24 ARG CG C 27.048 0.15 . 200 24 24 ARG N N 122.046 0.15 . 201 25 25 LYS H H 8.449 0.05 . 202 25 25 LYS HA H 4.388 0.05 . 203 25 25 LYS HB2 H 1.817 0.05 . 204 25 25 LYS HD3 H 1.740 0.05 . 205 25 25 LYS HE3 H 3.000 0.05 . 206 25 25 LYS HG3 H 1.471 0.05 . 207 25 25 LYS C C 176.606 0.15 . 208 25 25 LYS CA C 56.022 0.15 . 209 25 25 LYS CB C 33.369 0.15 . 210 25 25 LYS CE C 42.055 0.15 . 211 25 25 LYS CG C 24.727 0.15 . 212 25 25 LYS N N 123.599 0.15 . 213 26 26 GLY H H 8.331 0.05 . 214 26 26 GLY HA2 H 3.993 0.05 . 215 26 26 GLY HA3 H 4.200 0.05 . 216 26 26 GLY CA C 44.462 0.15 . 217 26 26 GLY N N 110.706 0.15 . 218 27 27 PRO HD3 H 3.635 0.05 . 219 28 28 PRO HA H 4.407 0.05 . 220 28 28 PRO HB3 H 2.254 0.05 . 221 28 28 PRO HD3 H 3.667 0.05 . 222 28 28 PRO HG2 H 2.235 0.05 . 223 28 28 PRO HG3 H 1.784 0.05 . 224 28 28 PRO C C 176.597 0.15 . 225 28 28 PRO CA C 62.607 0.15 . 226 28 28 PRO CB C 32.228 0.15 . 227 28 28 PRO CD C 50.398 0.15 . 228 29 29 LYS H H 8.337 0.05 . 229 29 29 LYS HA H 4.230 0.05 . 230 29 29 LYS HB3 H 1.687 0.05 . 231 29 29 LYS HD3 H 1.389 0.05 . 232 29 29 LYS HE3 H 2.988 0.05 . 233 29 29 LYS HG3 H 1.449 0.05 . 234 29 29 LYS C C 176.282 0.15 . 235 29 29 LYS CA C 56.296 0.15 . 236 29 29 LYS CB C 33.166 0.15 . 237 29 29 LYS CD C 28.970 0.15 . 238 29 29 LYS CE C 42.081 0.15 . 239 29 29 LYS CG C 24.746 0.15 . 240 29 29 LYS N N 121.316 0.15 . 241 30 30 PHE H H 8.168 0.05 . 242 30 30 PHE HA H 4.651 0.05 . 243 30 30 PHE HB2 H 3.016 0.05 . 244 30 30 PHE HB3 H 3.112 0.05 . 245 30 30 PHE HD2 H 7.222 0.05 . 246 30 30 PHE C C 175.376 0.15 . 247 30 30 PHE CA C 57.554 0.15 . 248 30 30 PHE CB C 39.988 0.15 . 249 30 30 PHE N N 121.014 0.15 . 250 31 31 LYS H H 8.299 0.05 . 251 31 31 LYS HA H 4.279 0.05 . 252 31 31 LYS HB2 H 1.739 0.05 . 253 31 31 LYS HB3 H 1.777 0.05 . 254 31 31 LYS HD2 H 1.676 0.05 . 255 31 31 LYS HE3 H 2.997 0.05 . 256 31 31 LYS HG3 H 1.384 0.05 . 257 31 31 LYS C C 175.859 0.15 . 258 31 31 LYS CA C 56.141 0.15 . 259 31 31 LYS CB C 33.298 0.15 . 260 31 31 LYS CD C 29.069 0.15 . 261 31 31 LYS CE C 42.020 0.15 . 262 31 31 LYS CG C 24.741 0.15 . 263 31 31 LYS N N 123.741 0.15 . 264 32 32 GLN H H 8.386 0.05 . 265 32 32 GLN HA H 4.293 0.05 . 266 32 32 GLN HB3 H 2.054 0.05 . 267 32 32 GLN HG3 H 2.390 0.05 . 268 32 32 GLN C C 175.871 0.15 . 269 32 32 GLN CA C 55.849 0.15 . 270 32 32 GLN CB C 29.655 0.15 . 271 32 32 GLN CG C 33.699 0.15 . 272 32 32 GLN N N 122.348 0.15 . 273 33 33 ARG H H 8.534 0.05 . 274 33 33 ARG HA H 4.313 0.05 . 275 33 33 ARG HB2 H 1.757 0.05 . 276 33 33 ARG HB3 H 1.554 0.05 . 277 33 33 ARG HD2 H 3.163 0.05 . 278 33 33 ARG HG2 H 2.046 0.05 . 279 33 33 ARG HG3 H 1.798 0.05 . 280 33 33 ARG C C 175.703 0.15 . 281 33 33 ARG CA C 56.149 0.15 . 282 33 33 ARG CB C 30.871 0.15 . 283 33 33 ARG CD C 43.370 0.15 . 284 33 33 ARG CG C 27.186 0.15 . 285 33 33 ARG N N 123.341 0.15 . 286 34 34 GLN H H 8.406 0.05 . 287 34 34 GLN HA H 4.450 0.05 . 288 34 34 GLN HB2 H 2.078 0.05 . 289 34 34 GLN HG2 H 2.372 0.05 . 290 34 34 GLN C C 176.039 0.15 . 291 34 34 GLN CA C 55.720 0.15 . 292 34 34 GLN CB C 29.752 0.15 . 293 34 34 GLN N N 121.810 0.15 . 294 35 35 THR H H 8.337 0.05 . 295 35 35 THR HA H 4.347 0.05 . 296 35 35 THR HB H 4.204 0.05 . 297 35 35 THR HG2 H 1.208 0.05 . 298 35 35 THR C C 174.392 0.15 . 299 35 35 THR CA C 61.966 0.15 . 300 35 35 THR CB C 69.947 0.15 . 301 35 35 THR CG2 C 21.749 0.15 . 302 35 35 THR N N 116.604 0.15 . 303 36 36 ARG H H 8.422 0.05 . 304 36 36 ARG HA H 4.311 0.05 . 305 36 36 ARG HB3 H 1.826 0.05 . 306 36 36 ARG HD3 H 3.175 0.05 . 307 36 36 ARG HG3 H 1.657 0.05 . 308 36 36 ARG C C 176.134 0.15 . 309 36 36 ARG CA C 56.231 0.15 . 310 36 36 ARG CB C 30.935 0.15 . 311 36 36 ARG CD C 43.440 0.15 . 312 36 36 ARG CG C 27.151 0.15 . 313 36 36 ARG N N 123.461 0.15 . 314 37 37 GLN H H 8.567 0.05 . 315 37 37 GLN HA H 4.326 0.05 . 316 37 37 GLN HB3 H 1.941 0.05 . 317 37 37 GLN HG3 H 2.244 0.05 . 318 37 37 GLN C C 175.436 0.15 . 319 37 37 GLN CA C 55.746 0.15 . 320 37 37 GLN CB C 29.800 0.15 . 321 37 37 GLN CG C 33.678 0.15 . 322 37 37 GLN N N 122.436 0.15 . 323 38 38 PHE H H 8.373 0.05 . 324 38 38 PHE HA H 4.659 0.05 . 325 38 38 PHE HB2 H 3.011 0.05 . 326 38 38 PHE HB3 H 3.101 0.05 . 327 38 38 PHE C C 175.417 0.15 . 328 38 38 PHE CA C 57.615 0.15 . 329 38 38 PHE CB C 40.008 0.15 . 330 38 38 PHE N N 122.108 0.15 . 331 39 39 LYS H H 8.351 0.05 . 332 39 39 LYS HA H 4.344 0.05 . 333 39 39 LYS HB3 H 1.768 0.05 . 334 39 39 LYS HD2 H 1.697 0.05 . 335 39 39 LYS HE3 H 2.992 0.05 . 336 39 39 LYS HG3 H 1.403 0.05 . 337 39 39 LYS C C 176.057 0.15 . 338 39 39 LYS CA C 56.155 0.15 . 339 39 39 LYS CB C 33.311 0.15 . 340 39 39 LYS CD C 29.067 0.15 . 341 39 39 LYS CE C 42.081 0.15 . 342 39 39 LYS CG C 24.724 0.15 . 343 39 39 LYS N N 123.353 0.15 . 344 40 40 SER H H 8.266 0.05 . 345 40 40 SER HA H 4.421 0.05 . 346 40 40 SER HB3 H 3.863 0.05 . 347 40 40 SER C C 173.967 0.15 . 348 40 40 SER CA C 58.744 0.15 . 349 40 40 SER CB C 64.110 0.15 . 350 40 40 SER N N 117.367 0.15 . 351 41 41 LYS H H 8.390 0.05 . 352 41 41 LYS HA H 4.632 0.05 . 353 41 41 LYS HB2 H 1.830 0.05 . 354 41 41 LYS HD2 H 1.710 0.05 . 355 41 41 LYS HG3 H 1.481 0.05 . 356 41 41 LYS CA C 54.247 0.15 . 357 41 41 LYS CB C 32.683 0.15 . 358 41 41 LYS N N 123.953 0.15 . 359 43 43 PRO HA H 4.445 0.05 . 360 43 43 PRO HB3 H 2.281 0.05 . 361 43 43 PRO C C 176.649 0.15 . 362 43 43 PRO CA C 62.768 0.15 . 363 43 43 PRO CB C 32.184 0.15 . 364 43 43 PRO CD C 50.437 0.15 . 365 44 44 LYS H H 8.318 0.05 . 366 44 44 LYS HA H 4.300 0.05 . 367 44 44 LYS HB3 H 1.768 0.05 . 368 44 44 LYS HD2 H 1.645 0.05 . 369 44 44 LYS C C 176.276 0.15 . 370 44 44 LYS CA C 56.269 0.15 . 371 44 44 LYS CB C 33.422 0.15 . 372 44 44 LYS CD C 29.157 0.15 . 373 44 44 LYS CG C 24.804 0.15 . 374 44 44 LYS N N 121.444 0.15 . 375 45 45 LYS H H 8.375 0.05 . 376 45 45 LYS HA H 4.273 0.05 . 377 45 45 LYS HB3 H 1.794 0.05 . 378 45 45 LYS HD3 H 1.723 0.05 . 379 45 45 LYS HE3 H 2.994 0.05 . 380 45 45 LYS HG3 H 1.433 0.05 . 381 45 45 LYS C C 176.928 0.15 . 382 45 45 LYS CA C 56.464 0.15 . 383 45 45 LYS CB C 33.228 0.15 . 384 45 45 LYS CD C 29.134 0.15 . 385 45 45 LYS CE C 42.028 0.15 . 386 45 45 LYS CG C 24.740 0.15 . 387 45 45 LYS N N 122.960 0.15 . 388 46 46 GLY H H 8.511 0.05 . 389 46 46 GLY HA2 H 3.983 0.05 . 390 46 46 GLY C C 174.018 0.15 . 391 46 46 GLY CA C 45.209 0.15 . 392 46 46 GLY N N 111.019 0.15 . 393 47 47 VAL H H 8.057 0.05 . 394 47 47 VAL HA H 4.149 0.05 . 395 47 47 VAL HB H 2.091 0.05 . 396 47 47 VAL HG2 H 0.932 0.05 . 397 47 47 VAL C C 176.195 0.15 . 398 47 47 VAL CA C 62.319 0.15 . 399 47 47 VAL CB C 32.851 0.15 . 400 47 47 VAL CG2 C 20.907 0.15 . 401 47 47 VAL N N 119.281 0.15 . 402 48 48 GLN H H 8.568 0.05 . 403 48 48 GLN HA H 4.324 0.05 . 404 48 48 GLN HB2 H 1.995 0.05 . 405 48 48 GLN HB3 H 2.046 0.05 . 406 48 48 GLN HG2 H 2.352 0.05 . 407 48 48 GLN C C 176.263 0.15 . 408 48 48 GLN CA C 56.143 0.15 . 409 48 48 GLN CB C 29.505 0.15 . 410 48 48 GLN CG C 32.058 0.15 . 411 48 48 GLN N N 124.081 0.15 . 412 49 49 GLY H H 8.424 0.05 . 413 49 49 GLY HA2 H 3.894 0.05 . 414 49 49 GLY HA3 H 3.952 0.05 . 415 49 49 GLY C C 173.711 0.15 . 416 49 49 GLY CA C 45.103 0.15 . 417 49 49 GLY N N 110.389 0.15 . 418 50 50 PHE H H 8.222 0.05 . 419 50 50 PHE HA H 4.632 0.05 . 420 50 50 PHE HB2 H 3.015 0.05 . 421 50 50 PHE HB3 H 3.185 0.05 . 422 50 50 PHE C C 176.416 0.15 . 423 50 50 PHE CA C 58.008 0.15 . 424 50 50 PHE CB C 39.865 0.15 . 425 50 50 PHE N N 119.885 0.15 . 426 51 51 GLY H H 8.445 0.05 . 427 51 51 GLY HA2 H 3.893 0.05 . 428 51 51 GLY C C 173.768 0.15 . 429 51 51 GLY CA C 45.326 0.15 . 430 51 51 GLY N N 110.652 0.15 . 431 52 52 ASP H H 8.228 0.05 . 432 52 52 ASP HA H 4.667 0.05 . 433 52 52 ASP HB2 H 2.689 0.05 . 434 52 52 ASP HB3 H 2.749 0.05 . 435 52 52 ASP C C 175.445 0.15 . 436 52 52 ASP CA C 53.943 0.15 . 437 52 52 ASP CB C 40.229 0.15 . 438 52 52 ASP N N 119.656 0.15 . 439 53 53 ASP H H 8.411 0.05 . 440 53 53 ASP HA H 4.653 0.05 . 441 53 53 ASP HB2 H 2.673 0.05 . 442 53 53 ASP HB3 H 2.752 0.05 . 443 53 53 ASP C C 175.200 0.15 . 444 53 53 ASP CA C 53.780 0.15 . 445 53 53 ASP CB C 39.873 0.15 . 446 53 53 ASP N N 119.590 0.15 . 447 54 54 ILE H H 8.032 0.05 . 448 54 54 ILE HA H 4.413 0.05 . 449 54 54 ILE HB H 1.884 0.05 . 450 54 54 ILE HD1 H 0.851 0.05 . 451 54 54 ILE HG12 H 1.147 0.05 . 452 54 54 ILE HG13 H 1.485 0.05 . 453 54 54 ILE HG2 H 0.917 0.05 . 454 54 54 ILE CA C 58.978 0.15 . 455 54 54 ILE CB C 38.687 0.15 . 456 54 54 ILE CD1 C 12.608 0.15 . 457 54 54 ILE CG1 C 27.250 0.15 . 458 54 54 ILE CG2 C 17.455 0.15 . 459 54 54 ILE N N 122.390 0.15 . 460 55 55 PRO HA H 4.362 0.05 . 461 55 55 PRO HB2 H 1.921 0.05 . 462 55 55 PRO HB3 H 2.286 0.05 . 463 55 55 PRO HD2 H 3.673 0.05 . 464 55 55 PRO HD3 H 3.880 0.05 . 465 55 55 PRO HG2 H 1.976 0.05 . 466 55 55 PRO C C 177.916 0.15 . 467 55 55 PRO CA C 63.784 0.15 . 468 55 55 PRO CB C 32.024 0.15 . 469 55 55 PRO CD C 51.132 0.15 . 470 55 55 PRO CG C 27.334 0.15 . 471 56 56 GLY H H 8.500 0.05 . 472 56 56 GLY HA2 H 3.983 0.05 . 473 56 56 GLY HA3 H 4.044 0.05 . 474 56 56 GLY C C 174.624 0.15 . 475 56 56 GLY CA C 45.508 0.15 . 476 56 56 GLY N N 109.318 0.15 . 477 57 57 MET H H 8.150 0.05 . 478 57 57 MET HA H 4.524 0.05 . 479 57 57 MET HB2 H 2.019 0.05 . 480 57 57 MET HB3 H 2.134 0.05 . 481 57 57 MET HG3 H 2.505 0.05 . 482 57 57 MET C C 176.438 0.15 . 483 57 57 MET CA C 55.636 0.15 . 484 57 57 MET CB C 32.886 0.15 . 485 57 57 MET CG C 32.058 0.15 . 486 57 57 MET N N 119.427 0.15 . 487 58 58 GLU H H 8.541 0.05 . 488 58 58 GLU HA H 4.330 0.05 . 489 58 58 GLU HB2 H 2.005 0.05 . 490 58 58 GLU HB3 H 2.105 0.05 . 491 58 58 GLU HG3 H 2.409 0.05 . 492 58 58 GLU C C 176.724 0.15 . 493 58 58 GLU CA C 56.543 0.15 . 494 58 58 GLU CB C 29.179 0.15 . 495 58 58 GLU CG C 34.221 0.15 . 496 58 58 GLU N N 121.063 0.15 . 497 59 59 GLY H H 8.434 0.05 . 498 59 59 GLY HA2 H 3.964 0.05 . 499 59 59 GLY C C 174.202 0.15 . 500 59 59 GLY CA C 45.435 0.15 . 501 59 59 GLY N N 109.529 0.15 . 502 60 60 LEU H H 8.124 0.05 . 503 60 60 LEU HA H 4.388 0.05 . 504 60 60 LEU HB2 H 1.648 0.05 . 505 60 60 LEU HB3 H 1.663 0.05 . 506 60 60 LEU HD2 H 0.907 0.05 . 507 60 60 LEU C C 177.670 0.15 . 508 60 60 LEU CA C 55.332 0.15 . 509 60 60 LEU CB C 42.514 0.15 . 510 60 60 LEU CD2 C 23.502 0.15 . 511 60 60 LEU CG C 25.049 0.15 . 512 60 60 LEU N N 121.371 0.15 . 513 61 61 GLY H H 8.502 0.05 . 514 61 61 GLY HA2 H 4.005 0.05 . 515 61 61 GLY C C 174.305 0.15 . 516 61 61 GLY CA C 45.453 0.15 . 517 61 61 GLY N N 109.384 0.15 . 518 62 62 THR H H 8.018 0.05 . 519 62 62 THR HA H 4.360 0.05 . 520 62 62 THR HB H 4.245 0.05 . 521 62 62 THR HG2 H 1.188 0.05 . 522 62 62 THR C C 174.282 0.15 . 523 62 62 THR CA C 62.009 0.15 . 524 62 62 THR CB C 69.598 0.15 . 525 62 62 THR CG2 C 21.748 0.15 . 526 62 62 THR N N 112.705 0.15 . 527 63 63 ASP H H 8.455 0.05 . 528 63 63 ASP HA H 4.712 0.05 . 529 63 63 ASP HB2 H 2.701 0.05 . 530 63 63 ASP HB3 H 2.826 0.05 . 531 63 63 ASP C C 175.870 0.15 . 532 63 63 ASP CA C 53.861 0.15 . 533 63 63 ASP CB C 40.008 0.15 . 534 63 63 ASP N N 122.094 0.15 . 535 64 64 ILE H H 8.115 0.05 . 536 64 64 ILE HA H 4.234 0.05 . 537 64 64 ILE HB H 1.913 0.05 . 538 64 64 ILE HD1 H 0.866 0.05 . 539 64 64 ILE HG12 H 1.433 0.05 . 540 64 64 ILE HG13 H 1.197 0.05 . 541 64 64 ILE HG2 H 0.905 0.05 . 542 64 64 ILE C C 176.258 0.15 . 543 64 64 ILE CA C 61.571 0.15 . 544 64 64 ILE CB C 38.784 0.15 . 545 64 64 ILE CD1 C 13.072 0.15 . 546 64 64 ILE CG1 C 27.147 0.15 . 547 64 64 ILE CG2 C 17.880 0.15 . 548 64 64 ILE N N 120.886 0.15 . 549 65 65 THR H H 8.286 0.05 . 550 65 65 THR HA H 4.309 0.05 . 551 65 65 THR HB H 4.173 0.05 . 552 65 65 THR HG2 H 1.194 0.05 . 553 65 65 THR C C 174.372 0.15 . 554 65 65 THR CA C 62.465 0.15 . 555 65 65 THR CB C 69.721 0.15 . 556 65 65 THR CG2 C 21.819 0.15 . 557 65 65 THR N N 117.887 0.15 . 558 66 66 VAL H H 8.027 0.05 . 559 66 66 VAL HA H 4.131 0.05 . 560 66 66 VAL HB H 2.064 0.05 . 561 66 66 VAL HG2 H 0.893 0.05 . 562 66 66 VAL C C 175.708 0.15 . 563 66 66 VAL CA C 62.383 0.15 . 564 66 66 VAL CB C 32.880 0.15 . 565 66 66 VAL CG2 C 21.237 0.15 . 566 66 66 VAL N N 122.724 0.15 . 567 67 67 ILE H H 8.109 0.05 . 568 67 67 ILE HA H 4.128 0.05 . 569 67 67 ILE HB H 1.797 0.05 . 570 67 67 ILE HD1 H 0.801 0.05 . 571 67 67 ILE HG12 H 1.432 0.05 . 572 67 67 ILE HG13 H 1.143 0.05 . 573 67 67 ILE HG2 H 0.855 0.05 . 574 67 67 ILE C C 175.348 0.15 . 575 67 67 ILE CA C 60.884 0.15 . 576 67 67 ILE CB C 38.547 0.15 . 577 67 67 ILE CD1 C 12.936 0.15 . 578 67 67 ILE CG1 C 27.252 0.15 . 579 67 67 ILE CG2 C 17.583 0.15 . 580 67 67 ILE N N 124.336 0.15 . 581 68 68 ALA H H 8.239 0.05 . 582 68 68 ALA HA H 4.361 0.05 . 583 68 68 ALA HB H 1.002 0.05 . 584 68 68 ALA CA C 50.582 0.15 . 585 68 68 ALA CB C 18.099 0.15 . 586 68 68 ALA N N 128.782 0.15 . 587 69 69 PRO HA H 4.309 0.05 . 588 69 69 PRO HB2 H 1.919 0.05 . 589 69 69 PRO HB3 H 2.276 0.05 . 590 69 69 PRO HD2 H 3.681 0.05 . 591 69 69 PRO HD3 H 3.502 0.05 . 592 69 69 PRO HG2 H 2.011 0.05 . 593 69 69 PRO C C 177.117 0.15 . 594 69 69 PRO CA C 64.175 0.15 . 595 69 69 PRO CB C 31.824 0.15 . 596 69 69 PRO CD C 50.536 0.15 . 597 69 69 PRO CG C 27.488 0.15 . 598 70 70 TRP H H 7.556 0.05 . 599 70 70 TRP HA H 4.549 0.05 . 600 70 70 TRP HB2 H 3.284 0.05 . 601 70 70 TRP HB3 H 3.360 0.05 . 602 70 70 TRP HD1 H 7.177 0.05 . 603 70 70 TRP HE3 H 7.249 0.05 . 604 70 70 TRP C C 176.657 0.15 . 605 70 70 TRP CA C 57.975 0.15 . 606 70 70 TRP CB C 28.750 0.15 . 607 70 70 TRP N N 117.369 0.15 . 608 71 71 GLU H H 7.712 0.05 . 609 71 71 GLU HA H 4.148 0.05 . 610 71 71 GLU HB2 H 1.882 0.05 . 611 71 71 GLU HB3 H 1.749 0.05 . 612 71 71 GLU HG3 H 2.038 0.05 . 613 71 71 GLU C C 175.911 0.15 . 614 71 71 GLU CA C 56.468 0.15 . 615 71 71 GLU CB C 29.123 0.15 . 616 71 71 GLU CG C 33.919 0.15 . 617 71 71 GLU N N 121.230 0.15 . 618 72 72 ALA H H 7.850 0.05 . 619 72 72 ALA HA H 4.100 0.05 . 620 72 72 ALA HB H 1.261 0.05 . 621 72 72 ALA C C 177.794 0.15 . 622 72 72 ALA CA C 53.154 0.15 . 623 72 72 ALA CB C 19.035 0.15 . 624 72 72 ALA N N 123.092 0.15 . 625 73 73 PHE H H 7.935 0.05 . 626 73 73 PHE HA H 4.539 0.05 . 627 73 73 PHE HB2 H 3.129 0.05 . 628 73 73 PHE HB3 H 3.023 0.05 . 629 73 73 PHE HD1 H 7.231 0.05 . 630 73 73 PHE HD2 H 7.231 0.05 . 631 73 73 PHE C C 175.668 0.15 . 632 73 73 PHE CA C 57.985 0.15 . 633 73 73 PHE CB C 39.356 0.15 . 634 73 73 PHE N N 117.759 0.15 . 635 74 74 ASN H H 8.123 0.05 . 636 74 74 ASN HA H 4.603 0.05 . 637 74 74 ASN HB3 H 2.731 0.05 . 638 74 74 ASN HD21 H 7.539 0.05 . 639 74 74 ASN C C 175.138 0.15 . 640 74 74 ASN CA C 53.364 0.15 . 641 74 74 ASN CB C 38.858 0.15 . 642 74 74 ASN N N 118.751 0.15 . 643 75 75 HIS H H 8.351 0.05 . 644 75 75 HIS HA H 4.594 0.05 . 645 75 75 HIS HB2 H 3.219 0.05 . 646 75 75 HIS HB3 H 3.310 0.05 . 647 75 75 HIS C C 174.628 0.15 . 648 75 75 HIS CA C 56.197 0.15 . 649 75 75 HIS CB C 28.695 0.15 . 650 75 75 HIS N N 118.017 0.15 . 651 76 76 LEU H H 8.166 0.05 . 652 76 76 LEU HA H 4.287 0.05 . 653 76 76 LEU HB2 H 1.568 0.05 . 654 76 76 LEU HB3 H 1.642 0.05 . 655 76 76 LEU HD1 H 0.863 0.05 . 656 76 76 LEU HD2 H 0.900 0.05 . 657 76 76 LEU C C 177.284 0.15 . 658 76 76 LEU CA C 55.995 0.15 . 659 76 76 LEU CB C 42.241 0.15 . 660 76 76 LEU CD1 C 23.706 0.15 . 661 76 76 LEU CD2 C 24.084 0.15 . 662 76 76 LEU N N 122.091 0.15 . 663 77 77 GLU H H 8.380 0.05 . 664 77 77 GLU HA H 4.291 0.05 . 665 77 77 GLU HB2 H 1.961 0.05 . 666 77 77 GLU HB3 H 2.051 0.05 . 667 77 77 GLU HG2 H 2.338 0.05 . 668 77 77 GLU HG3 H 2.389 0.05 . 669 77 77 GLU C C 176.423 0.15 . 670 77 77 GLU CA C 56.257 0.15 . 671 77 77 GLU CB C 28.981 0.15 . 672 77 77 GLU CG C 34.114 0.15 . 673 77 77 GLU N N 120.837 0.15 . 674 78 78 LEU H H 8.161 0.05 . 675 78 78 LEU HA H 4.227 0.05 . 676 78 78 LEU HB2 H 1.628 0.05 . 677 78 78 LEU HB3 H 1.515 0.05 . 678 78 78 LEU HD1 H 0.862 0.05 . 679 78 78 LEU HD2 H 0.898 0.05 . 680 78 78 LEU C C 177.684 0.15 . 681 78 78 LEU CA C 56.075 0.15 . 682 78 78 LEU CB C 42.175 0.15 . 683 78 78 LEU CD1 C 23.370 0.15 . 684 78 78 LEU CD2 C 24.879 0.15 . 685 78 78 LEU CG C 27.106 0.15 . 686 78 78 LEU N N 122.038 0.15 . 687 79 79 HIS H H 8.480 0.05 . 688 79 79 HIS HA H 4.620 0.05 . 689 79 79 HIS HB2 H 3.218 0.05 . 690 79 79 HIS HB3 H 3.294 0.05 . 691 79 79 HIS C C 174.786 0.15 . 692 79 79 HIS CA C 56.072 0.15 . 693 79 79 HIS CB C 28.589 0.15 . 694 79 79 HIS N N 118.005 0.15 . 695 80 80 GLU H H 8.318 0.05 . 696 80 80 GLU HA H 4.299 0.05 . 697 80 80 GLU HB2 H 2.086 0.05 . 698 80 80 GLU HB3 H 2.128 0.05 . 699 80 80 GLU HG3 H 2.389 0.05 . 700 80 80 GLU C C 176.454 0.15 . 701 80 80 GLU CA C 56.595 0.15 . 702 80 80 GLU CB C 29.258 0.15 . 703 80 80 GLU CG C 34.127 0.15 . 704 80 80 GLU N N 120.559 0.15 . 705 81 81 LEU H H 8.237 0.05 . 706 81 81 LEU HA H 4.279 0.05 . 707 81 81 LEU HB3 H 1.651 0.05 . 708 81 81 LEU HD1 H 0.905 0.05 . 709 81 81 LEU HD2 H 0.867 0.05 . 710 81 81 LEU C C 177.649 0.15 . 711 81 81 LEU CA C 55.817 0.15 . 712 81 81 LEU CB C 42.277 0.15 . 713 81 81 LEU CD1 C 25.030 0.15 . 714 81 81 LEU CD2 C 23.456 0.15 . 715 81 81 LEU CG C 26.871 0.15 . 716 81 81 LEU N N 122.214 0.15 . 717 82 82 ALA H H 8.174 0.05 . 718 82 82 ALA HA H 4.223 0.05 . 719 82 82 ALA HB H 1.368 0.05 . 720 82 82 ALA C C 178.146 0.15 . 721 82 82 ALA CA C 53.229 0.15 . 722 82 82 ALA CB C 19.012 0.15 . 723 82 82 ALA N N 123.669 0.15 . 724 83 83 GLN H H 8.135 0.05 . 725 83 83 GLN HA H 4.199 0.05 . 726 83 83 GLN HB3 H 1.895 0.05 . 727 83 83 GLN HE21 H 7.409 0.05 . 728 83 83 GLN HG3 H 2.123 0.05 . 729 83 83 GLN C C 175.844 0.15 . 730 83 83 GLN CA C 56.333 0.15 . 731 83 83 GLN CB C 29.342 0.15 . 732 83 83 GLN CG C 33.632 0.15 . 733 83 83 GLN N N 118.285 0.15 . 734 83 83 GLN NE2 N 111.925 0.15 . 735 84 84 TYR H H 8.065 0.05 . 736 84 84 TYR HA H 4.608 0.05 . 737 84 84 TYR HB2 H 2.922 0.05 . 738 84 84 TYR HB3 H 3.178 0.05 . 739 84 84 TYR HD1 H 7.116 0.05 . 740 84 84 TYR HD2 H 7.116 0.05 . 741 84 84 TYR C C 176.223 0.15 . 742 84 84 TYR CA C 57.949 0.15 . 743 84 84 TYR CB C 38.922 0.15 . 744 84 84 TYR N N 119.594 0.15 . 745 85 85 GLY H H 8.198 0.05 . 746 85 85 GLY HA2 H 3.925 0.05 . 747 85 85 GLY HA3 H 3.879 0.05 . 748 85 85 GLY C C 173.608 0.15 . 749 85 85 GLY CA C 45.601 0.15 . 750 85 85 GLY N N 109.877 0.15 . 751 86 86 ILE H H 7.863 0.05 . 752 86 86 ILE HA H 4.286 0.05 . 753 86 86 ILE HB H 1.942 0.05 . 754 86 86 ILE HD1 H 0.855 0.05 . 755 86 86 ILE HG12 H 1.444 0.05 . 756 86 86 ILE HG13 H 1.173 0.05 . 757 86 86 ILE HG2 H 0.921 0.05 . 758 86 86 ILE C C 176.457 0.15 . 759 86 86 ILE CA C 61.002 0.15 . 760 86 86 ILE CB C 38.877 0.15 . 761 86 86 ILE CD1 C 12.950 0.15 . 762 86 86 ILE CG1 C 27.076 0.15 . 763 86 86 ILE CG2 C 17.689 0.15 . 764 86 86 ILE N N 120.133 0.15 . 765 87 87 ILE H H 7.855 0.05 . 766 87 87 ILE HA H 4.426 0.05 . 767 87 87 ILE HB H 2.018 0.05 . 768 87 87 ILE HD1 H 0.848 0.05 . 769 87 87 ILE HG12 H 1.433 0.05 . 770 87 87 ILE HG13 H 1.188 0.05 . 771 87 87 ILE HG2 H 0.895 0.05 . 772 87 87 ILE CA C 66.943 0.15 . 773 87 87 ILE CB C 39.016 0.15 . 774 87 87 ILE CD1 C 12.969 0.15 . 775 87 87 ILE CG1 C 27.193 0.15 . 776 87 87 ILE CG2 C 17.895 0.15 . 777 87 87 ILE N N 127.372 0.15 . stop_ save_