data_19271 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CRABPI ; _BMRB_accession_number 19271 _BMRB_flat_file_name bmr19271.str _Entry_type original _Submission_date 2013-05-28 _Accession_date 2013-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Budyak Ivan L. . 2 Zhuravleva Anastasia . . 3 Gierasch Lila M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 "13C chemical shifts" 401 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Role of Aromatic-Aromatic Interactions in Strand-Strand Stabilization of -Sheets.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23810905 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Budyak Ivan L. . 2 Zhuravleva Anastasia . . 3 Gierasch Lila M. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3522 _Page_last 3535 _Year 2013 _Details . loop_ _Keyword aggregation '-barrel protein' 'chemical shift perturbations' folding stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CRABP1 apo' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CRABP1 $CRABP1 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_CRABP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CRABP1 _Molecular_mass 18090 _Mol_thiol_state 'all free' loop_ _Biological_function 'retinoic acid binding and transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIEGR HMPNFAGTWKMRSSENFDEL LKALGVNAMLRKVAVAAASK PHVEIRQDGDQFYIKTSTTV RTTEINFKVGEGFEEETVDG RKCRSLPTWENENKIHCTQT LLEGDGPKTYWTRELANDEL ILTFGADDVVCTQIYVRE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 HIS 12 HIS 13 SER 14 SER 15 GLY 16 HIS 17 ILE 18 GLU 19 GLY 20 ARG 21 HIS 22 MET 23 PRO 24 ASN 25 PHE 26 ALA 27 GLY 28 THR 29 TRP 30 LYS 31 MET 32 ARG 33 SER 34 SER 35 GLU 36 ASN 37 PHE 38 ASP 39 GLU 40 LEU 41 LEU 42 LYS 43 ALA 44 LEU 45 GLY 46 VAL 47 ASN 48 ALA 49 MET 50 LEU 51 ARG 52 LYS 53 VAL 54 ALA 55 VAL 56 ALA 57 ALA 58 ALA 59 SER 60 LYS 61 PRO 62 HIS 63 VAL 64 GLU 65 ILE 66 ARG 67 GLN 68 ASP 69 GLY 70 ASP 71 GLN 72 PHE 73 TYR 74 ILE 75 LYS 76 THR 77 SER 78 THR 79 THR 80 VAL 81 ARG 82 THR 83 THR 84 GLU 85 ILE 86 ASN 87 PHE 88 LYS 89 VAL 90 GLY 91 GLU 92 GLY 93 PHE 94 GLU 95 GLU 96 GLU 97 THR 98 VAL 99 ASP 100 GLY 101 ARG 102 LYS 103 CYS 104 ARG 105 SER 106 LEU 107 PRO 108 THR 109 TRP 110 GLU 111 ASN 112 GLU 113 ASN 114 LYS 115 ILE 116 HIS 117 CYS 118 THR 119 GLN 120 THR 121 LEU 122 LEU 123 GLU 124 GLY 125 ASP 126 GLY 127 PRO 128 LYS 129 THR 130 TYR 131 TRP 132 THR 133 ARG 134 GLU 135 LEU 136 ALA 137 ASN 138 ASP 139 GLU 140 LEU 141 ILE 142 LEU 143 THR 144 PHE 145 GLY 146 ALA 147 ASP 148 ASP 149 VAL 150 VAL 151 CYS 152 THR 153 GLN 154 ILE 155 TYR 156 VAL 157 ARG 158 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 1CBI "Apo-Cellular Retinoic Acid Binding Protein I" 86.08 136 99.26 100.00 2.00e-95 PDB 1CBR "Crystal Structure Of Cellular Retinoic-Acid-Binding Proteins I And Ii In Complex With All-Trans-Retinoic Acid And A Synthetic R" 86.08 136 99.26 100.00 2.00e-95 PDB 2CBR "Cellular Retinoic Acid Binding Protein I In Complex With A Retinobenzoic Acid (Am80)" 86.08 136 99.26 100.00 2.00e-95 DBJ BAC32295 "unnamed protein product [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 DBJ BAE25869 "unnamed protein product [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 DBJ BAJ84031 "cellular retinoic acid-binding protein 1 [Homo sapiens]" 86.71 137 98.54 99.27 2.20e-95 EMBL CAA30317 "cellular retinoic-acid-binding protein [Bos taurus]" 86.71 137 99.27 100.00 1.75e-96 EMBL CAA33509 "unnamed protein product [Mus sp.]" 86.71 137 99.27 100.00 1.75e-96 EMBL CAA33790 "cellular reinoid acid binding protein [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 EMBL CAA36011 "cellular retinoic acid binding protein [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 EMBL CAG33298 "CRABP1 [Homo sapiens]" 86.71 137 97.81 99.27 8.08e-95 GB AAA30469 "retinoic acid-binding protein [Bos taurus]" 87.34 138 98.55 99.28 1.32e-94 GB AAA30470 "retinoic acid-binding protein [Bos taurus]" 86.71 137 99.27 100.00 1.75e-96 GB AAA40027 "retinoic acid binding protein II [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 GB AAB20773 "cellular retinoic acid-binding protein [Homo sapiens]" 86.71 137 98.54 99.27 2.20e-95 GB AAH22069 "CRABP1 protein [Homo sapiens]" 86.71 137 97.81 98.54 1.74e-94 PRF 1207174A "acid binding protein" 86.08 136 99.26 100.00 2.00e-95 REF NP_001099186 "cellular retinoic acid-binding protein 1 [Rattus norvegicus]" 86.71 137 99.27 100.00 1.75e-96 REF NP_001121964 "cellular retinoic acid-binding protein 1 [Sus scrofa]" 86.71 137 98.54 99.27 2.20e-95 REF NP_001268580 "cellular retinoic acid-binding protein 1 [Mesocricetus auratus]" 86.71 137 99.27 100.00 1.75e-96 REF NP_004369 "cellular retinoic acid-binding protein 1 [Homo sapiens]" 86.71 137 98.54 99.27 2.20e-95 REF NP_038524 "cellular retinoic acid-binding protein 1 isoform 1 [Mus musculus]" 86.71 137 99.27 100.00 1.75e-96 SP P29762 "RecName: Full=Cellular retinoic acid-binding protein 1; AltName: Full=Cellular retinoic acid-binding protein I; Short=CRABP-I" 86.71 137 98.54 99.27 2.20e-95 SP P62964 "RecName: Full=Cellular retinoic acid-binding protein 1; AltName: Full=Cellular retinoic acid-binding protein I; Short=CRABP-I" 86.71 137 99.27 100.00 1.75e-96 SP P62965 "RecName: Full=Cellular retinoic acid-binding protein 1; AltName: Full=Cellular retinoic acid-binding protein I; Short=CRABP-I" 86.71 137 99.27 100.00 1.75e-96 SP P62966 "RecName: Full=Cellular retinoic acid-binding protein 1; AltName: Full=Cellular retinoic acid-binding protein I; Short=CRABP-I" 86.71 137 99.27 100.00 1.75e-96 TPG DAA17503 "TPA: cellular retinoic acid-binding protein 1 [Bos taurus]" 86.71 137 98.54 99.27 5.83e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CRABP1 'House Mouse' 10090 Eukaryota Metazoa Mus musculus 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 $CRABP1 'recombinant technology' . Escherichia coli BL21(DE3) pET-16b 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 $CRABP1 500 uM '[U-99% 13C; U-99% 15N]' TRIS 10 mM [U-2H] H2O 95 % 'natural abundance' D2O 5 % '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 'peak picking' processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' refinement stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 7700CS _Field_strength 700 _Details 'equipped with a cryogenically cooled triple-resonance probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with TXI cryoprobe' 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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_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_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 1 mM pH 8.0 0.05 pH pressure 1 . atm temperature 273 . 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 cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HNCA' '3D HN(CO)CACB' '3D HN(CA)CO' 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 CRABP1 _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 16 16 HIS C C 175.150 0.3 1 2 16 16 HIS CA C 56.407 0.3 1 3 16 16 HIS CB C 30.648 0.3 1 4 17 17 ILE H H 7.971 0.020 1 5 17 17 ILE C C 175.691 0.3 1 6 17 17 ILE CA C 60.832 0.3 1 7 17 17 ILE CB C 38.513 0.3 1 8 17 17 ILE N N 122.702 0.3 1 9 18 18 GLU H H 8.477 0.020 1 10 18 18 GLU C C 176.786 0.3 1 11 18 18 GLU CA C 56.801 0.3 1 12 18 18 GLU CB C 29.960 0.3 1 13 18 18 GLU N N 125.012 0.3 1 14 19 19 GLY H H 8.454 0.020 1 15 19 19 GLY C C 173.711 0.3 1 16 19 19 GLY CA C 45.310 0.3 1 17 19 19 GLY N N 110.588 0.3 1 18 20 20 ARG H H 7.975 0.020 1 19 20 20 ARG C C 175.616 0.3 1 20 20 20 ARG CA C 55.638 0.3 1 21 20 20 ARG CB C 30.724 0.3 1 22 20 20 ARG N N 120.088 0.3 1 23 21 21 HIS H H 8.549 0.020 1 24 21 21 HIS CA C 55.903 0.3 1 25 21 21 HIS N N 122.226 0.3 1 26 23 23 PRO C C 175.489 0.3 1 27 23 23 PRO CA C 62.705 0.3 1 28 23 23 PRO CB C 31.609 0.3 1 29 24 24 ASN H H 8.493 0.020 1 30 24 24 ASN C C 174.723 0.3 1 31 24 24 ASN CA C 51.971 0.3 1 32 24 24 ASN CB C 38.098 0.3 1 33 24 24 ASN N N 120.020 0.3 1 34 25 25 PHE H H 9.543 0.020 1 35 25 25 PHE C C 175.337 0.3 1 36 25 25 PHE CA C 60.121 0.3 1 37 25 25 PHE CB C 40.676 0.3 1 38 25 25 PHE N N 121.083 0.3 1 39 26 26 ALA H H 7.831 0.020 1 40 26 26 ALA C C 177.740 0.3 1 41 26 26 ALA CA C 53.208 0.3 1 42 26 26 ALA CB C 20.128 0.3 1 43 26 26 ALA N N 118.067 0.3 1 44 27 27 GLY H H 8.988 0.020 1 45 27 27 GLY C C 171.795 0.3 1 46 27 27 GLY CA C 44.019 0.3 1 47 27 27 GLY N N 108.611 0.3 1 48 28 28 THR H H 7.998 0.020 1 49 28 28 THR C C 173.798 0.3 1 50 28 28 THR CA C 61.028 0.3 1 51 28 28 THR CB C 69.680 0.3 1 52 28 28 THR N N 114.273 0.3 1 53 29 29 TRP H H 9.364 0.020 1 54 29 29 TRP C C 174.831 0.3 1 55 29 29 TRP CA C 56.234 0.3 1 56 29 29 TRP CB C 32.713 0.3 1 57 29 29 TRP N N 125.436 0.3 1 58 30 30 LYS H H 9.865 0.020 1 59 30 30 LYS C C 175.250 0.3 1 60 30 30 LYS CA C 53.760 0.3 1 61 30 30 LYS CB C 35.466 0.3 1 62 30 30 LYS N N 121.460 0.3 1 63 31 31 MET H H 9.096 0.020 1 64 31 31 MET C C 175.904 0.3 1 65 31 31 MET CA C 57.391 0.3 1 66 31 31 MET CB C 34.679 0.3 1 67 31 31 MET N N 125.830 0.3 1 68 32 32 ARG H H 9.900 0.020 1 69 32 32 ARG C C 175.523 0.3 1 70 32 32 ARG CA C 56.543 0.3 1 71 32 32 ARG CB C 31.926 0.3 1 72 32 32 ARG N N 127.042 0.3 1 73 33 33 SER H H 7.658 0.020 1 74 33 33 SER C C 171.893 0.3 1 75 33 33 SER CA C 57.587 0.3 1 76 33 33 SER CB C 65.256 0.3 1 77 33 33 SER N N 113.319 0.3 1 78 34 34 SER H H 8.348 0.020 1 79 34 34 SER C C 173.226 0.3 1 80 34 34 SER CA C 57.007 0.3 1 81 34 34 SER CB C 63.978 0.3 1 82 34 34 SER N N 116.214 0.3 1 83 35 35 GLU H H 8.782 0.020 1 84 35 35 GLU C C 175.947 0.3 1 85 35 35 GLU CA C 55.228 0.3 1 86 35 35 GLU CB C 33.106 0.3 1 87 35 35 GLU N N 126.746 0.3 1 88 36 36 ASN H H 9.275 0.020 1 89 36 36 ASN C C 175.829 0.3 1 90 36 36 ASN CA C 53.949 0.3 1 91 36 36 ASN CB C 37.825 0.3 1 92 36 36 ASN N N 118.965 0.3 1 93 37 37 PHE H H 8.736 0.020 1 94 37 37 PHE C C 176.700 0.3 1 95 37 37 PHE CA C 61.815 0.3 1 96 37 37 PHE CB C 39.103 0.3 1 97 37 37 PHE N N 121.777 0.3 1 98 38 38 ASP H H 8.583 0.020 1 99 38 38 ASP C C 177.702 0.3 1 100 38 38 ASP CA C 58.079 0.3 1 101 38 38 ASP CB C 41.856 0.3 1 102 38 38 ASP N N 117.769 0.3 1 103 39 39 GLU H H 8.548 0.020 1 104 39 39 GLU C C 179.143 0.3 1 105 39 39 GLU CA C 60.242 0.3 1 106 39 39 GLU CB C 28.190 0.3 1 107 39 39 GLU N N 117.863 0.3 1 108 40 40 LEU H H 7.940 0.020 1 109 40 40 LEU C C 177.481 0.3 1 110 40 40 LEU CA C 58.200 0.3 1 111 40 40 LEU CB C 41.365 0.3 1 112 40 40 LEU N N 123.276 0.3 1 113 41 41 LEU H H 7.703 0.020 1 114 41 41 LEU C C 179.300 0.3 1 115 41 41 LEU CA C 57.625 0.3 1 116 41 41 LEU CB C 40.676 0.3 1 117 41 41 LEU N N 116.318 0.3 1 118 42 42 LYS H H 8.465 0.020 1 119 42 42 LYS C C 180.456 0.3 1 120 42 42 LYS CA C 60.144 0.3 1 121 42 42 LYS CB C 32.221 0.3 1 122 42 42 LYS N N 120.636 0.3 1 123 43 43 ALA H H 8.058 0.020 1 124 43 43 ALA C C 179.113 0.3 1 125 43 43 ALA CA C 54.666 0.3 1 126 43 43 ALA CB C 17.670 0.3 1 127 43 43 ALA N N 124.782 0.3 1 128 44 44 LEU H H 7.401 0.020 1 129 44 44 LEU C C 176.278 0.3 1 130 44 44 LEU CA C 54.732 0.3 1 131 44 44 LEU CB C 41.561 0.3 1 132 44 44 LEU N N 116.248 0.3 1 133 45 45 GLY H H 7.815 0.020 1 134 45 45 GLY C C 174.505 0.3 1 135 45 45 GLY CA C 45.297 0.3 1 136 45 45 GLY N N 107.293 0.3 1 137 46 46 VAL H H 7.685 0.020 1 138 46 46 VAL C C 176.588 0.3 1 139 46 46 VAL CA C 62.904 0.3 1 140 46 46 VAL CB C 31.140 0.3 1 141 46 46 VAL N N 122.096 0.3 1 142 47 47 ASN H H 8.601 0.020 1 143 47 47 ASN C C 174.770 0.3 1 144 47 47 ASN CA C 53.805 0.3 1 145 47 47 ASN CB C 38.513 0.3 1 146 47 47 ASN N N 127.503 0.3 1 147 49 49 MET C C 178.682 0.3 1 148 49 49 MET CA C 54.533 0.3 1 149 50 50 LEU H H 8.010 0.020 1 150 50 50 LEU C C 180.478 0.3 1 151 50 50 LEU CA C 56.830 0.3 1 152 50 50 LEU CB C 41.365 0.3 1 153 50 50 LEU N N 120.235 0.3 1 154 51 51 ARG H H 8.739 0.020 1 155 51 51 ARG C C 177.304 0.3 1 156 51 51 ARG CA C 60.761 0.3 1 157 51 51 ARG CB C 29.960 0.3 1 158 51 51 ARG N N 120.732 0.3 1 159 52 52 LYS H H 7.446 0.020 1 160 52 52 LYS C C 179.653 0.3 1 161 52 52 LYS CA C 59.554 0.3 1 162 52 52 LYS CB C 32.123 0.3 1 163 52 52 LYS N N 117.205 0.3 1 164 53 53 VAL H H 7.031 0.020 1 165 53 53 VAL C C 177.927 0.3 1 166 53 53 VAL CA C 65.354 0.3 1 167 53 53 VAL CB C 31.828 0.3 1 168 53 53 VAL N N 117.704 0.3 1 169 54 54 ALA H H 8.101 0.020 1 170 54 54 ALA C C 180.562 0.3 1 171 54 54 ALA CA C 55.031 0.3 1 172 54 54 ALA CB C 18.555 0.3 1 173 54 54 ALA N N 123.395 0.3 1 174 55 55 VAL H H 8.778 0.020 1 175 55 55 VAL C C 178.444 0.3 1 176 55 55 VAL CA C 65.944 0.3 1 177 55 55 VAL CB C 31.533 0.3 1 178 55 55 VAL N N 117.542 0.3 1 179 56 56 ALA H H 7.333 0.020 1 180 56 56 ALA C C 180.429 0.3 1 181 56 56 ALA CA C 54.638 0.3 1 182 56 56 ALA CB C 17.965 0.3 1 183 56 56 ALA N N 121.875 0.3 1 184 57 57 ALA H H 8.149 0.020 1 185 57 57 ALA C C 178.679 0.3 1 186 57 57 ALA CA C 54.070 0.3 1 187 57 57 ALA CB C 18.850 0.3 1 188 57 57 ALA N N 120.595 0.3 1 189 58 58 ALA H H 7.773 0.020 1 190 58 58 ALA C C 176.868 0.3 1 191 58 58 ALA CA C 51.983 0.3 1 192 58 58 ALA CB C 18.555 0.3 1 193 58 58 ALA N N 119.269 0.3 1 194 59 59 SER H H 7.327 0.020 1 195 59 59 SER C C 174.034 0.3 1 196 59 59 SER CA C 60.077 0.3 1 197 59 59 SER CB C 63.781 0.3 1 198 59 59 SER N N 112.859 0.3 1 199 60 60 LYS H H 8.031 0.020 1 200 60 60 LYS C C 172.447 0.3 1 201 60 60 LYS CA C 54.622 0.3 1 202 60 60 LYS CB C 32.614 0.3 1 203 60 60 LYS N N 120.343 0.3 1 204 61 61 PRO C C 176.057 0.3 1 205 61 61 PRO CA C 62.995 0.3 1 206 61 61 PRO CB C 32.221 0.3 1 207 62 62 HIS H H 8.864 0.020 1 208 62 62 HIS C C 174.570 0.3 1 209 62 62 HIS CA C 56.035 0.3 1 210 62 62 HIS CB C 32.909 0.3 1 211 62 62 HIS N N 121.557 0.3 1 212 63 63 VAL H H 8.230 0.020 1 213 63 63 VAL C C 173.777 0.3 1 214 63 63 VAL CA C 60.629 0.3 1 215 63 63 VAL CB C 35.367 0.3 1 216 63 63 VAL N N 126.762 0.3 1 217 64 64 GLU H H 9.238 0.020 1 218 64 64 GLU C C 174.657 0.3 1 219 64 64 GLU CA C 54.666 0.3 1 220 64 64 GLU CB C 33.204 0.3 1 221 64 64 GLU N N 128.180 0.3 1 222 65 65 ILE H H 9.436 0.020 1 223 65 65 ILE C C 176.956 0.3 1 224 65 65 ILE CA C 60.055 0.3 1 225 65 65 ILE CB C 40.382 0.3 1 226 65 65 ILE N N 123.834 0.3 1 227 66 66 ARG H H 9.566 0.020 1 228 66 66 ARG C C 173.527 0.3 1 229 66 66 ARG CA C 55.351 0.3 1 230 66 66 ARG CB C 32.614 0.3 1 231 66 66 ARG N N 128.364 0.3 1 232 67 67 GLN H H 8.422 0.020 1 233 67 67 GLN C C 173.706 0.3 1 234 67 67 GLN CA C 53.949 0.3 1 235 67 67 GLN CB C 31.993 0.3 1 236 67 67 GLN N N 124.899 0.3 1 237 68 68 ASP H H 8.677 0.020 1 238 68 68 ASP C C 176.325 0.3 1 239 68 68 ASP CA C 52.573 0.3 1 240 68 68 ASP CB C 41.463 0.3 1 241 68 68 ASP N N 127.685 0.3 1 242 69 69 GLY H H 9.168 0.020 1 243 69 69 GLY C C 172.863 0.3 1 244 69 69 GLY CA C 47.657 0.3 1 245 69 69 GLY N N 116.368 0.3 1 246 70 70 ASP H H 8.608 0.020 1 247 70 70 ASP C C 174.841 0.3 1 248 70 70 ASP CA C 54.539 0.3 1 249 70 70 ASP CB C 41.660 0.3 1 250 70 70 ASP N N 125.574 0.3 1 251 71 71 GLN H H 8.015 0.020 1 252 71 71 GLN C C 174.401 0.3 1 253 71 71 GLN CA C 55.424 0.3 1 254 71 71 GLN CB C 29.665 0.3 1 255 71 71 GLN N N 120.285 0.3 1 256 72 72 PHE H H 9.243 0.020 1 257 72 72 PHE C C 174.182 0.3 1 258 72 72 PHE CA C 57.391 0.3 1 259 72 72 PHE CB C 43.626 0.3 1 260 72 72 PHE N N 125.277 0.3 1 261 73 73 TYR H H 8.571 0.020 1 262 73 73 TYR C C 174.639 0.3 1 263 73 73 TYR CA C 56.101 0.3 1 264 73 73 TYR CB C 40.971 0.3 1 265 73 73 TYR N N 122.611 0.3 1 266 74 74 ILE H H 8.464 0.020 1 267 74 74 ILE C C 174.396 0.3 1 268 74 74 ILE CA C 60.651 0.3 1 269 74 74 ILE CB C 39.497 0.3 1 270 74 74 ILE N N 123.341 0.3 1 271 75 75 LYS H H 9.360 0.020 1 272 75 75 LYS C C 174.906 0.3 1 273 75 75 LYS CA C 54.343 0.3 1 274 75 75 LYS CB C 34.384 0.3 1 275 75 75 LYS N N 133.474 0.3 1 276 76 76 THR H H 9.020 0.020 1 277 76 76 THR C C 174.308 0.3 1 278 76 76 THR CA C 62.110 0.3 1 279 76 76 THR CB C 69.582 0.3 1 280 76 76 THR N N 125.401 0.3 1 281 77 77 SER H H 9.710 0.020 1 282 77 77 SER C C 173.658 0.3 1 283 77 77 SER CA C 57.784 0.3 1 284 77 77 SER CB C 65.158 0.3 1 285 77 77 SER N N 123.917 0.3 1 286 78 78 THR H H 8.548 0.020 1 287 78 78 THR C C 174.680 0.3 1 288 78 78 THR CA C 59.525 0.3 1 289 78 78 THR CB C 71.843 0.3 1 290 78 78 THR N N 116.029 0.3 1 291 82 82 THR C C 173.607 0.3 1 292 82 82 THR CA C 61.799 0.3 1 293 82 82 THR CB C 70.543 0.3 1 294 83 83 THR H H 9.043 0.020 1 295 83 83 THR C C 173.080 0.3 1 296 83 83 THR CA C 59.924 0.3 1 297 83 83 THR CB C 71.624 0.3 1 298 83 83 THR N N 119.598 0.3 1 299 84 84 GLU H H 8.836 0.020 1 300 84 84 GLU C C 174.961 0.3 1 301 84 84 GLU CA C 55.130 0.3 1 302 84 84 GLU CB C 33.598 0.3 1 303 84 84 GLU N N 123.364 0.3 1 304 85 85 ILE H H 8.351 0.020 1 305 85 85 ILE C C 173.200 0.3 1 306 85 85 ILE CA C 59.259 0.3 1 307 85 85 ILE CB C 41.955 0.3 1 308 85 85 ILE N N 116.970 0.3 1 309 86 86 ASN H H 8.158 0.020 1 310 86 86 ASN C C 173.125 0.3 1 311 86 86 ASN CA C 52.170 0.3 1 312 86 86 ASN CB C 42.719 0.3 1 313 86 86 ASN N N 119.904 0.3 1 314 87 87 PHE H H 8.354 0.020 1 315 87 87 PHE C C 171.291 0.3 1 316 87 87 PHE CA C 55.814 0.3 1 317 87 87 PHE CB C 40.676 0.3 1 318 87 87 PHE N N 116.719 0.3 1 319 88 88 LYS H H 9.591 0.020 1 320 88 88 LYS C C 176.018 0.3 1 321 88 88 LYS CA C 53.655 0.3 1 322 88 88 LYS CB C 34.974 0.3 1 323 88 88 LYS N N 123.775 0.3 1 324 89 89 VAL H H 8.938 0.020 1 325 89 89 VAL C C 176.107 0.3 1 326 89 89 VAL CA C 67.517 0.3 1 327 89 89 VAL CB C 30.943 0.3 1 328 89 89 VAL N N 125.064 0.3 1 329 90 90 GLY H H 8.659 0.020 1 330 90 90 GLY C C 173.660 0.3 1 331 90 90 GLY CA C 44.314 0.3 1 332 90 90 GLY N N 115.746 0.3 1 333 91 91 GLU H H 8.684 0.020 1 334 91 91 GLU C C 175.770 0.3 1 335 91 91 GLU CA C 54.754 0.3 1 336 91 91 GLU CB C 32.319 0.3 1 337 91 91 GLU N N 121.633 0.3 1 338 92 92 GLY H H 8.715 0.020 1 339 92 92 GLY C C 173.507 0.3 1 340 92 92 GLY CA C 45.396 0.3 1 341 92 92 GLY N N 110.186 0.3 1 342 93 93 PHE H H 9.037 0.020 1 343 93 93 PHE C C 172.080 0.3 1 344 93 93 PHE CA C 55.969 0.3 1 345 93 93 PHE CB C 40.873 0.3 1 346 93 93 PHE N N 119.551 0.3 1 347 94 94 GLU H H 8.770 0.020 1 348 94 94 GLU C C 175.256 0.3 1 349 94 94 GLU CA C 55.439 0.3 1 350 94 94 GLU CB C 31.828 0.3 1 351 94 94 GLU N N 120.844 0.3 1 352 95 95 GLU H H 8.344 0.020 1 353 95 95 GLU C C 173.498 0.3 1 354 95 95 GLU CA C 55.108 0.3 1 355 95 95 GLU CB C 28.780 0.3 1 356 95 95 GLU N N 121.006 0.3 1 357 96 96 GLU H H 7.492 0.020 1 358 96 96 GLU C C 177.380 0.3 1 359 96 96 GLU CA C 53.949 0.3 1 360 96 96 GLU CB C 33.696 0.3 1 361 96 96 GLU N N 117.605 0.3 1 362 97 97 THR H H 9.365 0.020 1 363 97 97 THR C C 177.842 0.3 1 364 97 97 THR CA C 61.717 0.3 1 365 97 97 THR CB C 71.155 0.3 1 366 97 97 THR N N 112.212 0.3 1 367 98 98 VAL H H 9.037 0.020 1 368 98 98 VAL C C 175.503 0.3 1 369 98 98 VAL CA C 65.256 0.3 1 370 98 98 VAL CB C 31.533 0.3 1 371 98 98 VAL N N 121.009 0.3 1 372 99 99 ASP H H 8.692 0.020 1 373 99 99 ASP C C 175.394 0.3 1 374 99 99 ASP CA C 53.076 0.3 1 375 99 99 ASP CB C 40.087 0.3 1 376 99 99 ASP N N 112.799 0.3 1 377 100 100 GLY H H 7.877 0.020 1 378 100 100 GLY C C 173.985 0.3 1 379 100 100 GLY CA C 45.887 0.3 1 380 100 100 GLY N N 108.408 0.3 1 381 101 101 ARG H H 7.792 0.020 1 382 101 101 ARG C C 176.304 0.3 1 383 101 101 ARG CA C 54.910 0.3 1 384 101 101 ARG CB C 31.019 0.3 1 385 101 101 ARG N N 120.200 0.3 1 386 102 102 LYS H H 8.767 0.020 1 387 102 102 LYS C C 176.709 0.3 1 388 102 102 LYS CA C 57.784 0.3 1 389 102 102 LYS CB C 33.008 0.3 1 390 102 102 LYS N N 122.131 0.3 1 391 103 103 CYS H H 8.966 0.020 1 392 103 103 CYS C C 170.983 0.3 1 393 103 103 CYS CA C 55.424 0.3 1 394 103 103 CYS CB C 31.631 0.3 1 395 103 103 CYS N N 118.424 0.3 1 396 104 104 ARG H H 8.883 0.020 1 397 104 104 ARG C C 175.276 0.3 1 398 104 104 ARG CA C 54.713 0.3 1 399 104 104 ARG CB C 31.019 0.3 1 400 104 104 ARG N N 119.986 0.3 1 401 105 105 SER H H 9.238 0.020 1 402 105 105 SER C C 172.578 0.3 1 403 105 105 SER CA C 57.489 0.3 1 404 105 105 SER CB C 67.124 0.3 1 405 105 105 SER N N 127.031 0.3 1 406 106 106 LEU H H 8.013 0.020 1 407 106 106 LEU C C 172.483 0.3 1 408 106 106 LEU CA C 51.044 0.3 1 409 106 106 LEU CB C 43.331 0.3 1 410 106 106 LEU N N 122.865 0.3 1 411 107 107 PRO C C 175.755 0.3 1 412 107 107 PRO CA C 60.607 0.3 1 413 107 107 PRO CB C 31.140 0.3 1 414 108 108 THR H H 9.300 0.020 1 415 108 108 THR C C 173.348 0.3 1 416 108 108 THR CA C 59.947 0.3 1 417 108 108 THR CB C 72.925 0.3 1 418 108 108 THR N N 115.117 0.3 1 419 109 109 TRP H H 8.601 0.020 1 420 109 109 TRP C C 176.925 0.3 1 421 109 109 TRP CA C 56.407 0.3 1 422 109 109 TRP CB C 28.682 0.3 1 423 109 109 TRP N N 120.870 0.3 1 424 110 110 GLU H H 9.252 0.020 1 425 110 110 GLU C C 177.318 0.3 1 426 110 110 GLU CA C 58.376 0.3 1 427 110 110 GLU CB C 31.041 0.3 1 428 110 110 GLU N N 130.515 0.3 1 429 111 111 ASN H H 8.645 0.020 1 430 111 111 ASN C C 174.342 0.3 1 431 111 111 ASN CA C 52.475 0.3 1 432 111 111 ASN CB C 38.808 0.3 1 433 111 111 ASN N N 112.387 0.3 1 434 112 112 GLU H H 9.115 0.020 1 435 112 112 GLU C C 175.336 0.3 1 436 112 112 GLU CA C 59.160 0.3 1 437 112 112 GLU CB C 29.173 0.3 1 438 112 112 GLU N N 116.181 0.3 1 439 113 113 ASN H H 8.754 0.020 1 440 113 113 ASN C C 174.375 0.3 1 441 113 113 ASN CA C 52.789 0.3 1 442 113 113 ASN CB C 41.266 0.3 1 443 113 113 ASN N N 112.799 0.3 1 444 114 114 LYS H H 7.911 0.020 1 445 114 114 LYS C C 173.698 0.3 1 446 114 114 LYS CA C 56.604 0.3 1 447 114 114 LYS CB C 38.513 0.3 1 448 114 114 LYS N N 120.704 0.3 1 449 115 115 ILE H H 9.373 0.020 1 450 115 115 ILE C C 174.964 0.3 1 451 115 115 ILE CA C 59.613 0.3 1 452 115 115 ILE CB C 41.365 0.3 1 453 115 115 ILE N N 129.092 0.3 1 454 116 116 HIS H H 9.237 0.020 1 455 116 116 HIS C C 172.906 0.3 1 456 116 116 HIS CA C 55.328 0.3 1 457 116 116 HIS CB C 33.499 0.3 1 458 116 116 HIS N N 127.210 0.3 1 459 117 117 CYS H H 8.384 0.020 1 460 117 117 CYS C C 173.450 0.3 1 461 117 117 CYS CA C 56.212 0.3 1 462 117 117 CYS CB C 26.027 0.3 1 463 117 117 CYS N N 128.866 0.3 1 464 118 118 THR H H 7.245 0.020 1 465 118 118 THR C C 173.824 0.3 1 466 118 118 THR CA C 61.799 0.3 1 467 118 118 THR CB C 69.779 0.3 1 468 118 118 THR N N 121.370 0.3 1 469 119 119 GLN H H 7.602 0.020 1 470 119 119 GLN C C 175.508 0.3 1 471 119 119 GLN CA C 54.843 0.3 1 472 119 119 GLN CB C 30.550 0.3 1 473 119 119 GLN N N 121.669 0.3 1 474 120 120 THR H H 9.070 0.020 1 475 120 120 THR C C 173.817 0.3 1 476 120 120 THR CA C 61.026 0.3 1 477 120 120 THR CB C 70.739 0.3 1 478 120 120 THR N N 119.375 0.3 1 479 121 121 LEU H H 9.098 0.020 1 480 121 121 LEU C C 177.847 0.3 1 481 121 121 LEU CA C 55.947 0.3 1 482 121 121 LEU CB C 41.758 0.3 1 483 121 121 LEU N N 128.482 0.3 1 484 122 122 LEU H H 7.758 0.020 1 485 122 122 LEU C C 177.287 0.3 1 486 122 122 LEU CA C 56.609 0.3 1 487 122 122 LEU CB C 41.955 0.3 1 488 122 122 LEU N N 121.177 0.3 1 489 123 123 GLU H H 8.042 0.020 1 490 123 123 GLU C C 174.928 0.3 1 491 123 123 GLU CA C 55.218 0.3 1 492 123 123 GLU CB C 32.223 0.3 1 493 123 123 GLU N N 117.150 0.3 1 494 124 124 GLY H H 8.250 0.020 1 495 124 124 GLY C C 171.995 0.3 1 496 124 124 GLY CA C 44.609 0.3 1 497 124 124 GLY N N 108.972 0.3 1 498 125 125 ASP H H 8.246 0.020 1 499 125 125 ASP C C 175.296 0.3 1 500 125 125 ASP CA C 52.770 0.3 1 501 125 125 ASP CB C 43.626 0.3 1 502 125 125 ASP N N 117.951 0.3 1 503 126 126 GLY H H 8.218 0.020 1 504 126 126 GLY C C 169.970 0.3 1 505 126 126 GLY CA C 45.297 0.3 1 506 126 126 GLY N N 108.394 0.3 1 507 127 127 PRO C C 175.438 0.3 1 508 127 127 PRO CA C 62.440 0.3 1 509 127 127 PRO CB C 32.319 0.3 1 510 128 128 LYS H H 8.584 0.020 1 511 128 128 LYS C C 177.747 0.3 1 512 128 128 LYS CA C 56.411 0.3 1 513 128 128 LYS CB C 31.828 0.3 1 514 128 128 LYS N N 122.805 0.3 1 515 129 129 THR H H 8.917 0.020 1 516 129 129 THR C C 173.736 0.3 1 517 129 129 THR CA C 59.988 0.3 1 518 129 129 THR CB C 72.138 0.3 1 519 129 129 THR N N 118.323 0.3 1 520 130 130 TYR H H 7.444 0.020 1 521 130 130 TYR C C 174.375 0.3 1 522 130 130 TYR CA C 56.014 0.3 1 523 130 130 TYR CB C 40.775 0.3 1 524 130 130 TYR N N 114.396 0.3 1 525 131 131 TRP H H 8.466 0.020 1 526 131 131 TRP C C 174.833 0.3 1 527 131 131 TRP CA C 54.997 0.3 1 528 131 131 TRP CB C 33.696 0.3 1 529 131 131 TRP N N 116.946 0.3 1 530 132 132 THR H H 9.535 0.020 1 531 132 132 THR C C 174.391 0.3 1 532 132 132 THR CA C 60.340 0.3 1 533 132 132 THR CB C 71.745 0.3 1 534 132 132 THR N N 110.239 0.3 1 535 133 133 ARG H H 9.029 0.020 1 536 133 133 ARG C C 173.217 0.3 1 537 133 133 ARG CA C 55.549 0.3 1 538 133 133 ARG CB C 34.876 0.3 1 539 133 133 ARG N N 120.682 0.3 1 540 134 134 GLU H H 9.108 0.020 1 541 134 134 GLU C C 173.023 0.3 1 542 134 134 GLU CA C 53.655 0.3 1 543 134 134 GLU CB C 34.384 0.3 1 544 134 134 GLU N N 124.344 0.3 1 545 135 135 LEU H H 8.273 0.020 1 546 135 135 LEU C C 176.069 0.3 1 547 135 135 LEU CA C 53.032 0.3 1 548 135 135 LEU CB C 42.643 0.3 1 549 135 135 LEU N N 127.323 0.3 1 550 136 136 ALA H H 9.142 0.020 1 551 136 136 ALA C C 176.914 0.3 1 552 136 136 ALA CA C 51.197 0.3 1 553 136 136 ALA CB C 20.423 0.3 1 554 136 136 ALA N N 130.776 0.3 1 555 137 137 ASN C C 173.743 0.3 1 556 137 137 ASN CA C 54.933 0.3 1 557 137 137 ASN CB C 37.202 0.3 1 558 138 138 ASP H H 8.784 0.020 1 559 138 138 ASP C C 173.851 0.3 1 560 138 138 ASP CA C 55.881 0.3 1 561 138 138 ASP CB C 41.266 0.3 1 562 138 138 ASP N N 115.067 0.3 1 563 139 139 GLU H H 7.924 0.020 1 564 139 139 GLU C C 173.371 0.3 1 565 139 139 GLU CA C 55.129 0.3 1 566 139 139 GLU CB C 32.221 0.3 1 567 139 139 GLU N N 117.640 0.3 1 568 140 140 LEU H H 8.373 0.020 1 569 140 140 LEU C C 174.835 0.3 1 570 140 140 LEU CA C 53.407 0.3 1 571 140 140 LEU CB C 42.446 0.3 1 572 140 140 LEU N N 124.258 0.3 1 573 141 141 ILE H H 9.575 0.020 1 574 141 141 ILE C C 175.774 0.3 1 575 141 141 ILE CA C 60.832 0.3 1 576 141 141 ILE CB C 38.808 0.3 1 577 141 141 ILE N N 127.160 0.3 1 578 142 142 LEU H H 9.881 0.020 1 579 142 142 LEU C C 174.266 0.3 1 580 142 142 LEU CA C 53.208 0.3 1 581 142 142 LEU CB C 45.199 0.3 1 582 142 142 LEU N N 136.968 0.3 1 583 143 143 THR H H 8.877 0.020 1 584 143 143 THR C C 173.059 0.3 1 585 143 143 THR CA C 60.023 0.3 1 586 143 143 THR CB C 70.543 0.3 1 587 143 143 THR N N 119.817 0.3 1 588 144 144 PHE H H 9.036 0.020 1 589 144 144 PHE C C 174.373 0.3 1 590 144 144 PHE CA C 55.893 0.3 1 591 144 144 PHE CB C 43.702 0.3 1 592 144 144 PHE N N 119.612 0.3 1 593 145 145 GLY H H 7.375 0.020 1 594 145 145 GLY C C 173.839 0.3 1 595 145 145 GLY CA C 43.331 0.3 1 596 145 145 GLY N N 106.560 0.3 1 597 146 146 ALA H H 8.370 0.020 1 598 146 146 ALA C C 175.604 0.3 1 599 146 146 ALA CA C 51.265 0.3 1 600 146 146 ALA CB C 20.718 0.3 1 601 146 146 ALA N N 124.111 0.3 1 602 147 147 ASP H H 9.485 0.020 1 603 147 147 ASP C C 175.829 0.3 1 604 147 147 ASP CA C 57.292 0.3 1 605 147 147 ASP CB C 39.005 0.3 1 606 147 147 ASP N N 122.919 0.3 1 607 148 148 ASP H H 8.732 0.020 1 608 148 148 ASP C C 175.269 0.3 1 609 148 148 ASP CA C 54.736 0.3 1 610 148 148 ASP CB C 40.382 0.3 1 611 148 148 ASP N N 122.781 0.3 1 612 149 149 VAL H H 8.417 0.020 1 613 149 149 VAL C C 174.828 0.3 1 614 149 149 VAL CA C 63.257 0.3 1 615 149 149 VAL CB C 32.221 0.3 1 616 149 149 VAL N N 123.754 0.3 1 617 150 150 VAL H H 8.512 0.020 1 618 150 150 VAL C C 175.428 0.3 1 619 150 150 VAL CA C 60.832 0.3 1 620 150 150 VAL CB C 35.171 0.3 1 621 150 150 VAL N N 125.801 0.3 1 622 151 151 CYS H H 9.399 0.020 1 623 151 151 CYS C C 173.216 0.3 1 624 151 151 CYS CA C 55.916 0.3 1 625 151 151 CYS CB C 30.353 0.3 1 626 151 151 CYS N N 127.965 0.3 1 627 152 152 THR H H 7.964 0.020 1 628 152 152 THR C C 174.347 0.3 1 629 152 152 THR CA C 61.910 0.3 1 630 152 152 THR CB C 70.762 0.3 1 631 152 152 THR N N 123.734 0.3 1 632 153 153 GLN H H 10.029 0.020 1 633 153 153 GLN C C 173.468 0.3 1 634 153 153 GLN CA C 54.136 0.3 1 635 153 153 GLN CB C 32.811 0.3 1 636 153 153 GLN N N 128.529 0.3 1 637 154 154 ILE H H 8.442 0.020 1 638 154 154 ILE C C 174.790 0.3 1 639 154 154 ILE CA C 60.828 0.3 1 640 154 154 ILE CB C 39.497 0.3 1 641 154 154 ILE N N 121.834 0.3 1 642 155 155 TYR H H 9.965 0.020 1 643 155 155 TYR C C 174.387 0.3 1 644 155 155 TYR CA C 56.309 0.3 1 645 155 155 TYR CB C 41.758 0.3 1 646 155 155 TYR N N 128.091 0.3 1 647 156 156 VAL H H 9.509 0.020 1 648 156 156 VAL C C 175.492 0.3 1 649 156 156 VAL CA C 58.862 0.3 1 650 156 156 VAL CB C 35.072 0.3 1 651 156 156 VAL N N 113.325 0.3 1 652 157 157 ARG H H 8.785 0.020 1 653 157 157 ARG C C 177.035 0.3 1 654 157 157 ARG CA C 57.382 0.3 1 655 157 157 ARG CB C 29.861 0.3 1 656 157 157 ARG N N 124.629 0.3 1 657 158 158 GLU H H 7.962 0.020 1 658 158 158 GLU C C 181.040 0.3 1 659 158 158 GLU CA C 58.553 0.3 1 660 158 158 GLU CB C 31.140 0.3 1 661 158 158 GLU N N 127.816 0.3 1 stop_ save_