data_16391 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C and 15N Chemical Shift Assignments for human alphaB-crystallin ; _BMRB_accession_number 16391 _BMRB_flat_file_name bmr16391.str _Entry_type original _Submission_date 2009-07-01 _Accession_date 2009-07-01 _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 Jehle Stefan . . 2 Rossum Barth V. . 3 Markovic Stefan . . 4 Rajagopal Ponni . . 5 Klevit Rachel E. . 6 Oschkinat Hartmut . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 545 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-28 update BMRB 'complete entry citation' 2009-08-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Assigning large proteins in the solid state: a MAS NMR resonance assignment strategy using selectively and extensively 13C-labelled proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19609683 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Higman Victoria A. . 2 Flinders Jeremy . . 3 Hiller Matthias . . 4 Jehle Stefan . . 5 Markovic Stefan . . 6 Fiedler Sebastian . . 7 Rossum Barth V. . 8 Oschkinat Hartmut . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 44 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 245 _Page_last 260 _Year 2009 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; alphaB-Crystallin: A Hybrid Solid-State/Solution-State NMR Investigation Reveals Structural Aspects of the Heterogeneous Oligomer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19041879 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jehle Stefan . . 2 Rossum Barth V. . 3 Stout Joseph R. . 4 Noguchi Satoshi M. . 5 Falber Katja . . 6 Rehbein Kristina . . 7 Oschkinat Hartmut . . 8 Klevit Rachel E. . 9 Rajagopal Ponni . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 385 _Journal_issue 5 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1481 _Page_last 1497 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alphaB-crystallin oligomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alphaB-crystallin $alphaB-crystallin stop_ _System_molecular_weight 580000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'alphaB-crystallin was studied as heterogeneous homo oligomer (~580 kDa).' save_ ######################## # Monomeric polymers # ######################## save_alphaB-crystallin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alphaB-crystallin _Molecular_mass 20159 _Mol_thiol_state 'not present' _Details 'alphaB-crystallin was studied as heterogeneous homo oligomer (~580 kDa).' ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MDIAIHHPWIRRPFFPFHSP SRLFDQFFGEHLLESDLFPT STSLSPFYLRPPSFLRAPSW FDTGLSEMRLEKDRFSVNLD VKHFSPEELKVKVLGDVIEV HGKHEERQDEHGFISREFHR KYRIPADVDPLTITSSLSSD GVLTVNGPRKQVSGPERTIP ITREEKPAVTAAPKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ILE 4 ALA 5 ILE 6 HIS 7 HIS 8 PRO 9 TRP 10 ILE 11 ARG 12 ARG 13 PRO 14 PHE 15 PHE 16 PRO 17 PHE 18 HIS 19 SER 20 PRO 21 SER 22 ARG 23 LEU 24 PHE 25 ASP 26 GLN 27 PHE 28 PHE 29 GLY 30 GLU 31 HIS 32 LEU 33 LEU 34 GLU 35 SER 36 ASP 37 LEU 38 PHE 39 PRO 40 THR 41 SER 42 THR 43 SER 44 LEU 45 SER 46 PRO 47 PHE 48 TYR 49 LEU 50 ARG 51 PRO 52 PRO 53 SER 54 PHE 55 LEU 56 ARG 57 ALA 58 PRO 59 SER 60 TRP 61 PHE 62 ASP 63 THR 64 GLY 65 LEU 66 SER 67 GLU 68 MET 69 ARG 70 LEU 71 GLU 72 LYS 73 ASP 74 ARG 75 PHE 76 SER 77 VAL 78 ASN 79 LEU 80 ASP 81 VAL 82 LYS 83 HIS 84 PHE 85 SER 86 PRO 87 GLU 88 GLU 89 LEU 90 LYS 91 VAL 92 LYS 93 VAL 94 LEU 95 GLY 96 ASP 97 VAL 98 ILE 99 GLU 100 VAL 101 HIS 102 GLY 103 LYS 104 HIS 105 GLU 106 GLU 107 ARG 108 GLN 109 ASP 110 GLU 111 HIS 112 GLY 113 PHE 114 ILE 115 SER 116 ARG 117 GLU 118 PHE 119 HIS 120 ARG 121 LYS 122 TYR 123 ARG 124 ILE 125 PRO 126 ALA 127 ASP 128 VAL 129 ASP 130 PRO 131 LEU 132 THR 133 ILE 134 THR 135 SER 136 SER 137 LEU 138 SER 139 SER 140 ASP 141 GLY 142 VAL 143 LEU 144 THR 145 VAL 146 ASN 147 GLY 148 PRO 149 ARG 150 LYS 151 GLN 152 VAL 153 SER 154 GLY 155 PRO 156 GLU 157 ARG 158 THR 159 ILE 160 PRO 161 ILE 162 THR 163 ARG 164 GLU 165 GLU 166 LYS 167 PRO 168 ALA 169 VAL 170 THR 171 ALA 172 ALA 173 PRO 174 LYS 175 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25527 HSPB5-ACD 50.86 89 98.88 100.00 9.29e-54 BMRB 26640 aB 100.00 175 100.00 100.00 3.73e-121 PDB 2KLR "Solid-State Nmr Structure Of The Alpha-Crystallin Domain In Alphab- Crystallin Oligomers" 100.00 175 100.00 100.00 3.73e-121 PDB 2N0K "Chemical Shift Assignments And Structure Of The Alpha-crystallin Domain From Human, Hspb5" 50.86 89 98.88 100.00 9.29e-54 PDB 2WJ7 "Human Alphab Crystallin" 53.71 94 97.87 97.87 7.78e-57 PDB 2YGD "Molecular Architectures Of The 24meric Eye Lens Chaperone Alphab-crystallin Elucidated By A Triple Hybrid Approach" 100.00 175 100.00 100.00 3.73e-121 PDB 3L1G "Human Alphab Crystallin" 54.29 96 100.00 100.00 4.20e-59 DBJ BAD51947 "crystallin, alpha B [Macaca fascicularis]" 100.00 175 99.43 100.00 6.44e-121 DBJ BAE27257 "unnamed protein product [Mus musculus]" 100.00 175 97.71 98.29 1.66e-118 DBJ BAE40798 "unnamed protein product [Mus musculus]" 100.00 175 97.71 98.29 1.66e-118 DBJ BAE87237 "unnamed protein product [Macaca fascicularis]" 100.00 175 99.43 100.00 6.44e-121 DBJ BAG36739 "unnamed protein product [Homo sapiens]" 100.00 175 100.00 100.00 3.73e-121 EMBL CAA42910 "alpha B-crystallin [Rattus rattus]" 100.00 175 97.14 98.29 2.07e-118 EMBL CAA42911 "alpha B-crystallin [Rattus rattus]" 99.43 174 97.13 98.28 2.21e-117 EMBL CAA64669 "alpha-B-crystallin [Oryctolagus cuniculus]" 100.00 175 98.29 98.29 7.73e-119 EMBL CAC33095 "alphaB-crystallin [Nannospalax ehrenbergi]" 97.14 170 97.06 97.65 3.32e-114 EMBL CAF02108 "alphaB-crystallin [Elephas maximus]" 96.00 168 97.02 98.21 2.93e-112 GB AAA03655 "alpha B-crystallin [Rattus norvegicus]" 100.00 175 97.14 98.29 2.07e-118 GB AAA37472 "alpha-B crystallin [Mus musculus]" 100.00 175 97.71 98.29 1.66e-118 GB AAA40977 "alpha-crystallin B chain [Rattus norvegicus]" 100.00 175 97.14 98.29 2.07e-118 GB AAA52104 "alpha-B2-crystallin [Homo sapiens]" 100.00 175 100.00 100.00 3.73e-121 GB AAA67045 "alpha(B)-2-crystallin [Mus musculus domesticus]" 100.00 175 97.71 98.29 1.66e-118 PIR I53319 "alpha B-crystallin - rat" 100.00 175 97.14 98.29 2.07e-118 PRF 2015215A "alpha-B crystallin" 100.00 175 97.14 98.29 2.07e-118 REF NP_001012475 "alpha-crystallin B chain [Ovis aries]" 100.00 175 97.14 98.29 5.90e-118 REF NP_001075876 "alpha-crystallin B chain [Oryctolagus cuniculus]" 100.00 175 98.29 98.29 7.73e-119 REF NP_001125917 "alpha-crystallin B chain [Pongo abelii]" 100.00 175 100.00 100.00 3.73e-121 REF NP_001247830 "alpha-crystallin B chain [Macaca mulatta]" 100.00 175 99.43 100.00 6.44e-121 REF NP_001271991 "alpha-crystallin B chain [Macaca fascicularis]" 100.00 175 99.43 100.00 6.44e-121 SP P02510 "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" 100.00 175 97.71 97.71 1.59e-118 SP P02511 "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin; AltName: Full=Heat shock protein beta-5; Short=HspB5" 100.00 175 100.00 100.00 3.73e-121 SP P23927 "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin; AltName: Full=P23" 100.00 175 97.71 98.29 1.66e-118 SP P23928 "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" 100.00 175 97.14 98.29 2.07e-118 SP P41316 "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" 100.00 175 98.29 98.29 7.73e-119 TPG DAA22360 "TPA: alpha-crystallin B chain [Bos taurus]" 100.00 175 97.71 97.71 1.59e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alphaB-crystallin 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 $alphaB-crystallin 'recombinant technology' . Escherichia coli . pET16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alphaB-crystallin 20 mg '[U-100% 13C; U-100% 15N]' H2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alphaB-crystallin 18 mg '[1,3-13C]-glycerol; U-100% 15N]' H2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alphaB-crystallin 17 mg '[2-13C]-glycerol ; U-100% 15N' H2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alphaB-crystallin 18 mg 'PFMW [U-100% 13C; U-100% 15N]' H2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 400 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_13C-13C_PDSD_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $sample_1 save_ save_2D_13C-13C_PDSD_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $sample_2 save_ save_2D_13C-13C_PDSD_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $sample_3 save_ save_2D_13C-13C_PDSD_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C PDSD' _Sample_label $sample_4 save_ save_3D_15N-13C-13C_NCOCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCOCX' _Sample_label $sample_1 save_ save_3D_15N-13C-13C_NCOCX_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCOCX' _Sample_label $sample_2 save_ save_3D_15N-13C-13C_NCOCX_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCOCX' _Sample_label $sample_3 save_ save_3D_15N-13C-13C_NCOCX_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCOCX' _Sample_label $sample_4 save_ save_3D_15N-13C-13C_NCACX_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCACX' _Sample_label $sample_1 save_ save_3D_15N-13C-13C_NCACX_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCACX' _Sample_label $sample_2 save_ save_3D_15N-13C-13C_NCACX_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCACX' _Sample_label $sample_3 save_ save_3D_15N-13C-13C_NCACX_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C-13C NCACX' _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 pH 7.6 . pH temperature 270 . 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 adamantane C 13 'methylene carbon' ppm 38.56 external direct . . . 1.00000 adamantane N 15 'methylene carbon' ppm 38.56 external indirect . . . 0.40298 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 ; The N-terminal residues 9-69 show two or more NMR resonances for 15N and 13C. The residues S76, V77 and N78 have one signal set for 13C, but two distinct NMR resonances for 15N. For the BMRB entry the most prominent NMR resonance pattern were selected for residues in this segment. ; loop_ _Experiment_label '2D 13C-13C PDSD' '3D 15N-13C-13C NCOCX' '3D 15N-13C-13C NCACX' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name alphaB-crystallin _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 9 9 TRP CA C 58.798 0.000 1 2 9 9 TRP CG C 116.526 0.000 1 3 10 10 ILE CD1 C 12.065 0.000 1 4 10 10 ILE CG2 C 18.597 0.000 1 5 13 13 PRO C C 177.772 0.236 1 6 13 13 PRO CA C 65.055 0.065 1 7 13 13 PRO CG C 27.633 0.073 1 8 13 13 PRO N N 141.006 0.486 1 9 14 14 PHE C C 175.463 0.196 1 10 14 14 PHE CA C 55.730 0.136 1 11 14 14 PHE CB C 41.532 0.267 1 12 14 14 PHE N N 114.585 0.194 1 13 15 15 PHE CA C 55.411 0.060 1 14 15 15 PHE CB C 38.257 0.072 1 15 15 15 PHE CD1 C 132.500 0.000 3 16 15 15 PHE CD2 C 132.500 0.000 3 17 15 15 PHE N N 120.731 0.336 1 18 16 16 PRO C C 178.484 0.484 1 19 16 16 PRO CA C 66.252 0.180 1 20 16 16 PRO CB C 31.860 0.079 1 21 16 16 PRO CD C 50.066 0.078 1 22 16 16 PRO N N 136.409 0.196 1 23 17 17 PHE CA C 58.332 0.215 1 24 17 17 PHE CB C 39.333 0.096 1 25 17 17 PHE CD1 C 130.935 0.000 3 26 17 17 PHE CD2 C 130.935 0.000 3 27 17 17 PHE N N 111.147 0.305 1 28 18 18 HIS CA C 54.840 0.118 1 29 18 18 HIS CB C 32.823 0.000 1 30 18 18 HIS CG C 134.312 0.000 1 31 18 18 HIS N N 118.868 0.217 1 32 19 19 SER CA C 56.539 0.000 1 33 23 23 LEU C C 175.535 0.026 1 34 23 23 LEU CB C 42.430 0.031 1 35 24 24 PHE C C 175.191 0.000 1 36 24 24 PHE CA C 57.722 0.245 1 37 24 24 PHE CB C 42.128 0.125 1 38 24 24 PHE N N 118.705 0.163 1 39 25 25 ASP CA C 56.179 0.043 1 40 25 25 ASP CB C 36.387 0.000 1 41 25 25 ASP CG C 180.608 0.000 1 42 25 25 ASP N N 122.130 0.076 1 43 26 26 GLN C C 176.232 0.051 1 44 26 26 GLN CB C 31.402 0.029 1 45 26 26 GLN CD C 180.055 0.000 1 46 26 26 GLN CG C 36.945 0.000 1 47 27 27 PHE C C 177.230 0.130 1 48 27 27 PHE CA C 57.065 0.160 1 49 27 27 PHE CB C 41.620 0.070 1 50 27 27 PHE N N 117.002 0.004 1 51 28 28 PHE C C 174.474 0.179 1 52 28 28 PHE CA C 56.081 0.169 1 53 28 28 PHE CB C 40.933 0.080 1 54 28 28 PHE CD1 C 133.013 0.051 3 55 28 28 PHE CD2 C 133.013 0.051 3 56 28 28 PHE N N 119.874 0.315 1 57 29 29 GLY C C 170.842 0.151 1 58 29 29 GLY CA C 43.580 0.187 1 59 29 29 GLY N N 112.173 0.135 1 60 30 30 GLU CA C 57.096 0.184 1 61 30 30 GLU CB C 27.896 0.000 1 62 30 30 GLU CD C 178.544 0.089 1 63 30 30 GLU CG C 34.677 0.000 1 64 30 30 GLU N N 118.347 0.201 1 65 31 31 HIS C C 173.416 0.007 1 66 31 31 HIS CA C 54.197 0.137 1 67 31 31 HIS CB C 30.900 0.000 1 68 31 31 HIS CG C 131.255 0.000 1 69 31 31 HIS N N 121.936 0.098 1 70 32 32 LEU C C 175.306 0.098 1 71 32 32 LEU CA C 56.440 0.121 1 72 32 32 LEU CB C 41.902 0.025 1 73 32 32 LEU CG C 27.607 0.000 1 74 32 32 LEU N N 118.361 0.211 1 75 33 33 LEU C C 175.749 0.000 1 76 33 33 LEU CA C 54.654 0.136 1 77 33 33 LEU CB C 41.782 0.033 1 78 33 33 LEU CG C 26.207 0.136 1 79 33 33 LEU N N 126.759 0.109 1 80 34 34 GLU CA C 57.009 0.091 1 81 34 34 GLU CB C 27.700 0.123 1 82 34 34 GLU CG C 34.997 0.000 1 83 34 34 GLU N N 118.581 0.149 1 84 35 35 SER C C 171.666 0.212 1 85 35 35 SER CB C 66.489 0.106 1 86 36 36 ASP C C 175.185 0.150 1 87 36 36 ASP CA C 61.193 0.098 1 88 36 36 ASP CB C 37.436 0.064 1 89 36 36 ASP N N 112.948 0.210 1 90 37 37 LEU C C 175.803 0.029 1 91 37 37 LEU CA C 54.293 0.084 1 92 37 37 LEU CB C 41.529 0.026 1 93 37 37 LEU CG C 27.616 0.000 1 94 37 37 LEU N N 119.055 0.047 1 95 38 38 PHE C C 174.648 0.158 1 96 38 38 PHE CA C 55.759 0.127 1 97 38 38 PHE CB C 41.199 0.138 1 98 38 38 PHE N N 120.043 0.302 1 99 39 39 PRO C C 176.604 0.172 1 100 39 39 PRO CA C 62.378 0.151 1 101 39 39 PRO CB C 33.036 0.267 1 102 39 39 PRO CD C 49.853 0.112 1 103 39 39 PRO CG C 27.131 0.140 1 104 39 39 PRO N N 132.579 0.267 1 105 40 40 THR CA C 62.175 0.222 1 106 40 40 THR CB C 69.848 0.207 1 107 40 40 THR N N 124.187 0.321 1 108 41 41 SER C C 174.259 0.002 1 109 41 41 SER CA C 56.980 0.014 1 110 41 41 SER CB C 67.083 0.054 1 111 41 41 SER N N 118.755 0.203 1 112 42 42 THR C C 173.962 0.070 1 113 42 42 THR CA C 62.207 0.194 1 114 42 42 THR CB C 71.554 0.157 1 115 42 42 THR N N 127.920 0.142 1 116 43 43 SER C C 173.942 0.220 1 117 43 43 SER CB C 66.323 0.000 1 118 43 43 SER N N 121.558 0.243 1 119 44 44 LEU C C 174.508 0.096 1 120 44 44 LEU CA C 53.596 0.125 1 121 44 44 LEU CB C 45.330 0.145 1 122 44 44 LEU CG C 26.999 0.138 1 123 44 44 LEU N N 121.895 0.116 1 124 45 45 SER C C 177.835 0.203 1 125 45 45 SER CA C 56.440 0.117 1 126 45 45 SER CB C 64.337 0.051 1 127 45 45 SER N N 110.525 0.267 1 128 46 46 PRO C C 176.061 0.189 1 129 46 46 PRO CA C 62.686 0.000 1 130 46 46 PRO CB C 31.120 0.000 1 131 46 46 PRO CD C 48.667 0.176 1 132 46 46 PRO CG C 27.279 0.047 1 133 46 46 PRO N N 136.883 0.256 1 134 47 47 PHE C C 175.554 0.081 1 135 47 47 PHE CA C 58.075 0.158 1 136 47 47 PHE CB C 40.181 0.143 1 137 47 47 PHE N N 121.754 0.190 1 138 48 48 TYR CA C 56.766 0.031 1 139 48 48 TYR CB C 41.687 0.000 1 140 48 48 TYR CG C 129.025 0.000 1 141 48 48 TYR N N 116.236 0.255 1 142 49 49 LEU C C 177.792 0.157 1 143 49 49 LEU CA C 56.543 0.109 1 144 49 49 LEU CB C 42.477 0.015 1 145 49 49 LEU N N 120.998 0.101 1 146 50 50 ARG CA C 55.323 0.045 1 147 50 50 ARG CB C 34.782 0.000 1 148 50 50 ARG N N 115.524 0.257 1 149 51 51 PRO C C 175.514 0.141 1 150 51 51 PRO CA C 61.307 0.000 1 151 51 51 PRO CB C 31.193 0.071 1 152 51 51 PRO CG C 25.851 0.000 1 153 52 52 PRO CA C 64.774 0.119 1 154 52 52 PRO CD C 50.469 0.000 1 155 52 52 PRO CG C 28.053 0.000 1 156 52 52 PRO N N 137.558 0.366 1 157 57 57 ALA C C 177.826 0.000 1 158 57 57 ALA CA C 52.313 0.000 1 159 57 57 ALA CB C 19.029 0.111 1 160 58 58 PRO C C 176.296 0.000 1 161 58 58 PRO CA C 62.548 0.000 1 162 58 58 PRO CB C 32.184 0.000 1 163 58 58 PRO CD C 51.074 0.000 1 164 58 58 PRO N N 136.684 0.000 1 165 59 59 SER C C 172.198 0.215 1 166 59 59 SER CA C 56.376 0.326 1 167 59 59 SER CB C 65.511 0.287 1 168 59 59 SER N N 120.673 0.589 1 169 60 60 TRP C C 173.288 0.091 1 170 60 60 TRP CA C 55.563 0.206 1 171 60 60 TRP CB C 29.661 0.809 1 172 60 60 TRP CE2 C 139.466 0.000 1 173 60 60 TRP CG C 116.400 0.194 1 174 60 60 TRP N N 125.026 0.266 1 175 61 61 PHE CA C 58.269 0.173 1 176 61 61 PHE CD1 C 131.868 0.000 3 177 61 61 PHE CD2 C 131.868 0.000 3 178 61 61 PHE CG C 141.516 0.000 1 179 61 61 PHE N N 117.656 0.214 1 180 62 62 ASP CA C 52.880 0.366 1 181 62 62 ASP CB C 40.772 0.000 1 182 62 62 ASP N N 121.090 0.367 1 183 63 63 THR CA C 63.385 0.704 1 184 63 63 THR CB C 70.717 0.000 1 185 63 63 THR N N 105.887 0.542 1 186 64 64 GLY C C 171.980 0.208 1 187 64 64 GLY CA C 43.958 0.110 1 188 64 64 GLY N N 109.399 0.225 1 189 65 65 LEU C C 176.936 0.183 1 190 65 65 LEU CA C 54.268 0.395 1 191 65 65 LEU CB C 44.644 0.284 1 192 65 65 LEU CD1 C 26.726 0.000 1 193 65 65 LEU CD2 C 26.726 0.000 1 194 65 65 LEU CG C 26.895 0.221 1 195 65 65 LEU N N 129.386 0.159 1 196 72 72 LYS C C 175.171 0.030 1 197 72 72 LYS CA C 52.900 0.020 1 198 72 72 LYS CB C 33.443 0.000 1 199 72 72 LYS CG C 26.483 0.157 1 200 72 72 LYS N N 124.670 0.000 1 201 73 73 ASP C C 175.657 0.039 1 202 73 73 ASP CA C 54.497 0.080 1 203 73 73 ASP CB C 42.232 0.000 1 204 73 73 ASP CG C 179.966 0.093 1 205 73 73 ASP N N 122.998 0.072 1 206 74 74 ARG C C 175.076 0.065 1 207 74 74 ARG CA C 54.958 0.107 1 208 74 74 ARG CB C 32.031 0.122 1 209 74 74 ARG CG C 27.377 0.177 1 210 74 74 ARG N N 121.805 0.091 1 211 75 75 PHE C C 172.826 0.135 1 212 75 75 PHE CA C 56.628 0.137 1 213 75 75 PHE CB C 42.833 0.255 1 214 75 75 PHE CD1 C 131.035 0.177 3 215 75 75 PHE CD2 C 131.035 0.177 3 216 75 75 PHE CE1 C 128.690 0.000 3 217 75 75 PHE CE2 C 128.690 0.000 3 218 75 75 PHE CG C 139.538 0.170 1 219 75 75 PHE N N 121.284 0.292 1 220 76 76 SER C C 173.570 0.108 1 221 76 76 SER CA C 56.889 0.126 1 222 76 76 SER CB C 66.219 0.086 1 223 76 76 SER N N 118.045 0.231 1 224 77 77 VAL C C 175.519 0.151 1 225 77 77 VAL CA C 59.661 0.207 1 226 77 77 VAL CB C 34.618 0.273 1 227 77 77 VAL CG1 C 21.264 0.060 1 228 77 77 VAL CG2 C 21.264 0.060 1 229 77 77 VAL N N 117.791 0.471 1 230 78 78 ASN C C 173.724 0.143 1 231 78 78 ASN CA C 51.662 0.160 1 232 78 78 ASN CB C 42.259 0.213 1 233 78 78 ASN CG C 177.274 0.146 1 234 78 78 ASN N N 119.906 0.252 1 235 79 79 LEU C C 175.171 0.049 1 236 79 79 LEU CA C 53.225 0.175 1 237 79 79 LEU CB C 46.797 0.285 1 238 79 79 LEU CD1 C 26.052 0.000 2 239 79 79 LEU CD2 C 23.350 0.000 2 240 79 79 LEU CG C 27.333 0.080 1 241 79 79 LEU N N 123.470 0.127 1 242 80 80 ASP C C 174.761 0.049 1 243 80 80 ASP CA C 55.186 0.100 1 244 80 80 ASP CB C 41.489 0.000 1 245 80 80 ASP CG C 179.774 0.208 1 246 80 80 ASP N N 125.443 0.242 1 247 81 81 VAL C C 177.006 0.151 1 248 81 81 VAL CA C 59.437 0.146 1 249 81 81 VAL CB C 31.319 0.155 1 250 81 81 VAL CG1 C 21.792 0.068 1 251 81 81 VAL CG2 C 21.792 0.068 1 252 81 81 VAL N N 120.296 0.386 1 253 82 82 LYS C C 175.307 0.162 1 254 82 82 LYS CA C 55.127 0.902 1 255 82 82 LYS CB C 32.665 0.063 1 256 82 82 LYS CG C 26.846 0.000 1 257 82 82 LYS N N 117.476 0.226 1 258 83 83 HIS CA C 56.385 0.134 1 259 83 83 HIS CB C 32.355 0.423 1 260 83 83 HIS CG C 132.685 0.747 1 261 83 83 HIS N N 123.316 0.105 1 262 84 84 PHE C C 175.375 0.215 1 263 84 84 PHE CA C 57.354 0.287 1 264 84 84 PHE CB C 42.014 0.165 1 265 84 84 PHE CD1 C 132.905 0.013 3 266 84 84 PHE CD2 C 132.905 0.013 3 267 84 84 PHE N N 116.252 0.004 1 268 85 85 SER C C 174.219 0.127 1 269 85 85 SER CA C 56.563 0.126 1 270 85 85 SER CB C 62.777 0.130 1 271 85 85 SER N N 119.604 0.129 1 272 86 86 PRO C C 178.417 0.226 1 273 86 86 PRO CA C 66.225 0.229 1 274 86 86 PRO CB C 31.429 0.206 1 275 86 86 PRO CD C 49.818 0.176 1 276 86 86 PRO CG C 27.788 0.155 1 277 86 86 PRO N N 134.416 0.486 1 278 87 87 GLU C C 177.665 0.072 1 279 87 87 GLU CA C 58.039 0.199 1 280 87 87 GLU CB C 28.951 0.132 1 281 87 87 GLU CG C 37.608 0.164 1 282 87 87 GLU N N 112.035 0.109 1 283 88 88 GLU C C 175.124 0.121 1 284 88 88 GLU CA C 55.904 0.143 1 285 88 88 GLU CB C 30.217 0.135 1 286 88 88 GLU CD C 184.177 0.126 1 287 88 88 GLU CG C 37.657 0.062 1 288 88 88 GLU N N 120.597 0.092 1 289 89 89 LEU C C 175.382 0.068 1 290 89 89 LEU CA C 53.163 0.100 1 291 89 89 LEU CB C 47.290 0.358 1 292 89 89 LEU CD1 C 27.409 0.107 2 293 89 89 LEU CD2 C 23.378 0.155 2 294 89 89 LEU CG C 26.369 0.112 1 295 89 89 LEU N N 119.787 0.093 1 296 90 90 LYS C C 175.083 0.090 1 297 90 90 LYS CA C 55.120 0.172 1 298 90 90 LYS CB C 36.805 0.166 1 299 90 90 LYS CD C 29.288 0.134 1 300 90 90 LYS CG C 26.398 0.185 1 301 90 90 LYS N N 118.573 0.225 1 302 91 91 VAL C C 174.689 0.102 1 303 91 91 VAL CA C 60.997 0.135 1 304 91 91 VAL CB C 33.603 0.216 1 305 91 91 VAL CG1 C 22.027 0.135 2 306 91 91 VAL CG2 C 21.441 0.021 2 307 91 91 VAL N N 125.682 0.179 1 308 92 92 LYS C C 175.187 0.050 1 309 92 92 LYS CA C 54.238 0.170 1 310 92 92 LYS CB C 37.423 0.157 1 311 92 92 LYS CD C 29.846 0.000 1 312 92 92 LYS CE C 42.022 0.022 1 313 92 92 LYS CG C 24.813 0.185 1 314 92 92 LYS N N 124.897 0.089 1 315 93 93 VAL C C 175.191 0.096 1 316 93 93 VAL CA C 61.068 0.062 1 317 93 93 VAL CB C 33.835 0.117 1 318 93 93 VAL CG1 C 21.751 0.062 2 319 93 93 VAL CG2 C 21.638 0.055 2 320 93 93 VAL N N 124.722 0.126 1 321 94 94 LEU C C 176.592 0.493 1 322 94 94 LEU CA C 53.497 0.181 1 323 94 94 LEU CB C 43.247 0.125 1 324 94 94 LEU CG C 27.078 0.000 1 325 94 94 LEU N N 129.340 0.242 1 326 95 95 GLY C C 173.344 0.193 1 327 95 95 GLY CA C 47.693 0.164 1 328 95 95 GLY N N 115.897 0.291 1 329 96 96 ASP C C 174.989 0.109 1 330 96 96 ASP CA C 52.821 0.151 1 331 96 96 ASP CB C 40.253 0.231 1 332 96 96 ASP CG C 181.571 0.004 1 333 96 96 ASP N N 124.667 0.189 1 334 97 97 VAL C C 175.910 0.099 1 335 97 97 VAL CA C 60.908 0.158 1 336 97 97 VAL CB C 35.713 0.177 1 337 97 97 VAL CG1 C 21.683 0.169 1 338 97 97 VAL CG2 C 21.683 0.169 1 339 97 97 VAL N N 118.876 0.085 1 340 98 98 ILE C C 175.228 0.079 1 341 98 98 ILE CA C 59.601 0.178 1 342 98 98 ILE CB C 41.567 0.154 1 343 98 98 ILE CD1 C 15.365 0.175 1 344 98 98 ILE CG1 C 27.671 0.232 1 345 98 98 ILE CG2 C 18.062 0.173 1 346 98 98 ILE N N 123.476 0.275 1 347 99 99 GLU C C 174.918 0.089 1 348 99 99 GLU CA C 54.185 0.131 1 349 99 99 GLU CB C 32.766 0.190 1 350 99 99 GLU CD C 182.089 0.075 1 351 99 99 GLU CG C 37.241 0.212 1 352 99 99 GLU N N 125.930 0.084 1 353 100 100 VAL C C 174.160 0.152 1 354 100 100 VAL CA C 60.988 0.127 1 355 100 100 VAL CB C 34.094 0.133 1 356 100 100 VAL CG1 C 21.153 0.108 2 357 100 100 VAL CG2 C 21.496 0.187 2 358 100 100 VAL N N 124.000 0.184 1 359 101 101 HIS C C 173.679 0.170 1 360 101 101 HIS CA C 52.462 0.191 1 361 101 101 HIS CB C 34.498 0.219 1 362 101 101 HIS CG C 135.591 0.190 1 363 101 101 HIS N N 127.863 0.154 1 364 102 102 GLY C C 171.273 0.157 1 365 102 102 GLY CA C 43.481 0.198 1 366 102 102 GLY N N 110.934 0.320 1 367 103 103 LYS C C 175.105 0.040 1 368 103 103 LYS CA C 56.210 0.148 1 369 103 103 LYS CB C 36.524 0.122 1 370 103 103 LYS CD C 29.374 0.015 1 371 103 103 LYS CG C 25.498 0.168 1 372 103 103 LYS N N 123.112 0.157 1 373 104 104 HIS C C 175.749 0.065 1 374 104 104 HIS CA C 53.718 0.080 1 375 104 104 HIS CB C 32.589 0.126 1 376 104 104 HIS CE1 C 130.705 0.131 1 377 104 104 HIS CG C 127.949 0.194 1 378 104 104 HIS N N 123.315 0.106 1 379 105 105 GLU C C 175.807 0.078 1 380 105 105 GLU CA C 54.838 0.120 1 381 105 105 GLU CB C 30.101 0.256 1 382 105 105 GLU CD C 183.312 0.002 1 383 105 105 GLU CG C 36.038 0.083 1 384 105 105 GLU N N 123.125 0.042 1 385 106 106 GLU C C 176.399 0.108 1 386 106 106 GLU CA C 58.440 0.144 1 387 106 106 GLU CB C 31.105 0.233 1 388 106 106 GLU CD C 183.120 0.291 1 389 106 106 GLU CG C 36.897 0.047 1 390 106 106 GLU N N 120.434 0.065 1 391 107 107 ARG C C 174.752 0.046 1 392 107 107 ARG CA C 53.349 0.144 1 393 107 107 ARG CB C 33.178 0.206 1 394 107 107 ARG CG C 27.485 0.071 1 395 107 107 ARG N N 124.276 0.167 1 396 108 108 GLN C C 175.035 0.068 1 397 108 108 GLN CA C 54.966 0.113 1 398 108 108 GLN CB C 29.743 0.177 1 399 108 108 GLN CD C 177.513 0.286 1 400 108 108 GLN CG C 32.814 0.061 1 401 108 108 GLN N N 124.623 0.093 1 402 109 109 ASP C C 176.494 0.113 1 403 109 109 ASP CA C 51.900 0.184 1 404 109 109 ASP CB C 41.800 0.271 1 405 109 109 ASP CG C 182.560 0.178 1 406 109 109 ASP N N 127.546 0.076 1 407 110 110 GLU C C 176.161 0.134 1 408 110 110 GLU CA C 58.172 0.561 1 409 110 110 GLU CB C 28.412 0.309 1 410 110 110 GLU CG C 37.130 0.000 1 411 110 110 GLU N N 114.989 0.577 1 412 111 111 HIS C C 175.653 0.284 1 413 111 111 HIS CA C 55.392 0.227 1 414 111 111 HIS CB C 32.298 0.287 1 415 111 111 HIS CG C 131.419 0.324 1 416 111 111 HIS N N 115.504 0.300 1 417 112 112 GLY C C 171.272 0.186 1 418 112 112 GLY CA C 44.918 0.396 1 419 112 112 GLY N N 109.164 0.434 1 420 113 113 PHE C C 175.308 0.110 1 421 113 113 PHE CA C 56.504 0.279 1 422 113 113 PHE CB C 42.834 0.185 1 423 113 113 PHE CG C 139.666 0.296 1 424 113 113 PHE N N 121.424 0.388 1 425 114 114 ILE C C 173.062 0.301 1 426 114 114 ILE CA C 57.034 0.304 1 427 114 114 ILE CB C 42.149 0.185 1 428 114 114 ILE CD1 C 15.036 0.209 1 429 114 114 ILE CG1 C 28.052 0.019 1 430 114 114 ILE CG2 C 17.327 0.271 1 431 114 114 ILE N N 119.821 0.191 1 432 115 115 SER C C 173.147 0.177 1 433 115 115 SER CA C 57.038 0.322 1 434 115 115 SER CB C 65.635 0.041 1 435 115 115 SER N N 121.904 0.146 1 436 116 116 ARG C C 175.093 0.094 1 437 116 116 ARG CA C 55.231 0.179 1 438 116 116 ARG CB C 37.405 0.283 1 439 116 116 ARG CD C 43.348 0.000 1 440 116 116 ARG CG C 30.095 0.192 1 441 116 116 ARG CZ C 159.856 0.000 1 442 116 116 ARG N N 115.057 0.318 1 443 117 117 GLU C C 174.562 0.189 1 444 117 117 GLU CA C 55.525 0.120 1 445 117 117 GLU CB C 33.821 0.151 1 446 117 117 GLU CD C 183.724 0.000 1 447 117 117 GLU CG C 36.027 0.205 1 448 117 117 GLU N N 119.644 0.229 1 449 118 118 PHE C C 175.207 0.253 1 450 118 118 PHE CA C 56.672 0.160 1 451 118 118 PHE CB C 42.720 0.310 1 452 118 118 PHE CD1 C 131.292 0.026 3 453 118 118 PHE CD2 C 131.292 0.026 3 454 118 118 PHE CE1 C 130.501 0.000 3 455 118 118 PHE CE2 C 130.501 0.000 3 456 118 118 PHE CG C 139.382 0.208 1 457 118 118 PHE N N 121.741 0.180 1 458 119 119 HIS C C 175.682 0.494 1 459 119 119 HIS CA C 58.140 0.213 1 460 119 119 HIS CB C 30.263 0.337 1 461 119 119 HIS CG C 136.888 0.000 1 462 119 119 HIS N N 115.014 0.311 1 463 120 120 ARG C C 176.561 0.180 1 464 120 120 ARG CA C 55.176 0.180 1 465 120 120 ARG CB C 33.306 0.269 1 466 120 120 ARG CG C 27.417 0.205 1 467 120 120 ARG N N 120.621 0.269 1 468 121 121 LYS C C 175.287 0.114 1 469 121 121 LYS CA C 54.500 0.174 1 470 121 121 LYS CB C 37.330 0.116 1 471 121 121 LYS CG C 24.296 0.051 1 472 121 121 LYS N N 123.437 0.456 1 473 122 122 TYR C C 175.499 0.080 1 474 122 122 TYR CA C 56.432 0.232 1 475 122 122 TYR CB C 42.156 0.026 1 476 122 122 TYR CD1 C 134.319 0.409 3 477 122 122 TYR CD2 C 134.319 0.409 3 478 122 122 TYR CE1 C 117.706 0.219 3 479 122 122 TYR CE2 C 117.706 0.219 3 480 122 122 TYR CG C 128.726 0.123 1 481 122 122 TYR CZ C 159.754 0.359 1 482 122 122 TYR N N 119.636 0.158 1 483 123 123 ARG C C 175.483 0.100 1 484 123 123 ARG CA C 54.494 0.105 1 485 123 123 ARG CB C 32.543 0.123 1 486 123 123 ARG CD C 43.122 0.000 1 487 123 123 ARG CG C 27.317 0.074 1 488 123 123 ARG N N 124.714 0.042 1 489 124 124 ILE C C 176.598 0.069 1 490 124 124 ILE CA C 59.367 0.225 1 491 124 124 ILE CB C 38.989 0.103 1 492 124 124 ILE CD1 C 14.662 0.141 1 493 124 124 ILE CG1 C 28.745 0.085 1 494 124 124 ILE CG2 C 17.798 0.163 1 495 124 124 ILE N N 126.973 0.221 1 496 125 125 PRO C C 176.705 0.252 1 497 125 125 PRO CA C 62.407 0.182 1 498 125 125 PRO CB C 32.247 0.248 1 499 125 125 PRO CD C 50.101 0.216 1 500 125 125 PRO CG C 27.700 0.017 1 501 125 125 PRO N N 138.427 0.133 1 502 126 126 ALA C C 177.903 0.154 1 503 126 126 ALA CA C 54.048 0.159 1 504 126 126 ALA CB C 18.804 0.199 1 505 126 126 ALA N N 120.615 0.249 1 506 127 127 ASP C C 174.147 0.130 1 507 127 127 ASP CA C 52.631 0.254 1 508 127 127 ASP CB C 39.225 0.147 1 509 127 127 ASP N N 112.440 0.332 1 510 128 128 VAL C C 174.713 0.133 1 511 128 128 VAL CA C 60.947 0.142 1 512 128 128 VAL CB C 33.389 0.077 1 513 128 128 VAL CG1 C 21.829 0.222 2 514 128 128 VAL CG2 C 21.719 0.093 2 515 128 128 VAL N N 119.317 0.224 1 516 129 129 ASP C C 176.976 0.173 1 517 129 129 ASP CA C 51.045 0.128 1 518 129 129 ASP CB C 41.884 0.155 1 519 129 129 ASP CG C 179.325 0.058 1 520 129 129 ASP N N 126.820 0.168 1 521 130 130 PRO C C 178.230 0.224 1 522 130 130 PRO CA C 64.780 0.160 1 523 130 130 PRO CB C 33.094 0.180 1 524 130 130 PRO CD C 51.582 0.098 1 525 130 130 PRO CG C 27.935 0.174 1 526 130 130 PRO N N 143.060 0.236 1 527 131 131 LEU C C 178.645 0.166 1 528 131 131 LEU CA C 56.665 0.158 1 529 131 131 LEU CB C 41.103 0.200 1 530 131 131 LEU CD1 C 27.603 0.000 2 531 131 131 LEU CD2 C 22.718 0.020 2 532 131 131 LEU CG C 27.302 0.203 1 533 131 131 LEU N N 115.512 0.179 1 534 132 132 THR C C 174.070 0.081 1 535 132 132 THR CA C 60.996 0.185 1 536 132 132 THR CB C 69.376 0.173 1 537 132 132 THR CG2 C 22.305 0.176 1 538 132 132 THR N N 106.454 0.171 1 539 133 133 ILE C C 176.209 0.169 1 540 133 133 ILE CA C 60.578 0.270 1 541 133 133 ILE CB C 37.739 0.413 1 542 133 133 ILE CD1 C 13.525 0.157 1 543 133 133 ILE CG1 C 27.437 0.118 1 544 133 133 ILE CG2 C 18.467 0.039 1 545 133 133 ILE N N 121.898 0.119 1 546 134 134 THR C C 172.917 0.297 1 547 134 134 THR CA C 60.141 0.219 1 548 134 134 THR CB C 72.504 0.094 1 549 134 134 THR CG2 C 21.873 0.015 1 550 134 134 THR N N 117.244 0.203 1 551 135 135 SER C C 173.362 0.174 1 552 135 135 SER CA C 56.908 0.182 1 553 135 135 SER CB C 66.905 0.289 1 554 135 135 SER N N 112.061 0.283 1 555 136 136 SER C C 171.614 0.162 1 556 136 136 SER CA C 56.679 0.146 1 557 136 136 SER CB C 66.447 0.204 1 558 136 136 SER N N 118.276 0.163 1 559 137 137 LEU C C 176.130 0.220 1 560 137 137 LEU CA C 52.926 0.183 1 561 137 137 LEU CB C 43.685 0.275 1 562 137 137 LEU CD1 C 23.473 0.000 2 563 137 137 LEU CD2 C 27.219 0.238 2 564 137 137 LEU CG C 26.976 0.037 1 565 137 137 LEU N N 122.926 0.199 1 566 138 138 SER C C 177.257 0.096 1 567 138 138 SER CA C 57.349 0.236 1 568 138 138 SER CB C 65.551 0.198 1 569 138 138 SER N N 123.161 0.125 1 570 139 139 SER C C 175.107 0.152 1 571 139 139 SER CA C 61.022 0.094 1 572 139 139 SER CB C 62.693 0.181 1 573 139 139 SER N N 117.414 0.247 1 574 140 140 ASP C C 176.327 0.553 1 575 140 140 ASP CA C 52.800 0.137 1 576 140 140 ASP CB C 39.811 0.172 1 577 140 140 ASP CG C 179.977 0.006 1 578 140 140 ASP N N 116.736 0.331 1 579 141 141 GLY C C 172.169 0.143 1 580 141 141 GLY CA C 47.343 0.232 1 581 141 141 GLY N N 107.079 0.332 1 582 142 142 VAL C C 176.611 0.167 1 583 142 142 VAL CA C 61.295 0.195 1 584 142 142 VAL CB C 32.355 0.133 1 585 142 142 VAL CG1 C 21.048 0.008 2 586 142 142 VAL CG2 C 20.998 0.000 2 587 142 142 VAL N N 117.116 0.173 1 588 143 143 LEU C C 174.882 0.163 1 589 143 143 LEU CA C 53.849 0.144 1 590 143 143 LEU CB C 45.390 0.181 1 591 143 143 LEU CD1 C 27.760 0.167 2 592 143 143 LEU CD2 C 24.659 0.044 2 593 143 143 LEU CG C 27.515 0.116 1 594 143 143 LEU N N 134.795 0.113 1 595 144 144 THR C C 174.923 0.201 1 596 144 144 THR CA C 61.233 0.195 1 597 144 144 THR CB C 71.014 0.131 1 598 144 144 THR CG2 C 21.947 0.085 1 599 144 144 THR N N 124.186 0.209 1 600 145 145 VAL C C 174.525 0.151 1 601 145 145 VAL CA C 61.313 0.122 1 602 145 145 VAL CB C 32.931 0.168 1 603 145 145 VAL CG1 C 22.081 0.211 2 604 145 145 VAL CG2 C 20.135 0.156 2 605 145 145 VAL N N 127.603 0.125 1 606 146 146 ASN C C 173.849 0.249 1 607 146 146 ASN CA C 52.176 0.195 1 608 146 146 ASN CB C 43.428 0.195 1 609 146 146 ASN CG C 177.403 0.000 1 610 146 146 ASN N N 122.162 0.195 1 611 147 147 GLY C C 169.598 0.121 1 612 147 147 GLY CA C 45.400 0.233 1 613 147 147 GLY N N 105.862 0.243 1 614 148 148 PRO C C 176.251 0.062 1 615 148 148 PRO CA C 62.268 0.107 1 616 148 148 PRO CB C 32.631 0.073 1 617 148 148 PRO CD C 50.083 0.200 1 618 148 148 PRO CG C 27.980 0.131 1 619 148 148 PRO N N 134.725 0.306 1 620 149 149 ARG C C 177.208 0.000 1 621 149 149 ARG CA C 54.878 0.101 1 622 149 149 ARG CG C 27.507 0.000 1 623 149 149 ARG N N 123.287 0.147 1 624 150 150 LYS C C 176.469 0.032 1 625 150 150 LYS CA C 54.570 0.170 1 626 150 150 LYS CG C 25.703 0.006 1 627 151 151 GLN CA C 54.535 0.000 1 628 151 151 GLN N N 120.528 0.026 1 629 152 152 VAL CA C 59.736 0.106 1 630 152 152 VAL CB C 31.994 0.000 1 631 152 152 VAL N N 118.505 0.306 1 632 153 153 SER C C 172.885 0.000 1 633 153 153 SER CA C 57.185 0.000 1 634 153 153 SER CB C 65.985 0.000 1 635 154 154 GLY CA C 43.305 0.060 1 636 154 154 GLY N N 111.706 0.056 1 637 155 155 PRO CA C 61.459 0.360 1 638 155 155 PRO CB C 32.343 0.031 1 639 155 155 PRO CD C 49.673 0.032 1 640 155 155 PRO N N 131.585 0.065 1 641 156 156 GLU CA C 56.789 0.123 1 642 156 156 GLU CG C 35.538 0.000 1 643 156 156 GLU N N 117.198 0.229 1 644 158 158 THR C C 175.991 0.327 1 645 158 158 THR CA C 62.782 0.283 1 646 158 158 THR CB C 68.915 0.119 1 647 159 159 ILE C C 177.030 0.099 1 648 159 159 ILE CA C 57.758 0.219 1 649 159 159 ILE CB C 37.430 0.237 1 650 159 159 ILE CD1 C 11.005 0.427 1 651 159 159 ILE CG1 C 27.168 0.194 1 652 159 159 ILE CG2 C 17.276 0.174 1 653 159 159 ILE N N 122.942 0.332 1 654 160 160 PRO C C 176.572 0.297 1 655 160 160 PRO CA C 62.789 0.076 1 656 160 160 PRO CB C 31.894 0.000 1 657 160 160 PRO CD C 50.438 0.063 1 658 160 160 PRO CG C 28.066 0.000 1 659 160 160 PRO N N 135.613 0.426 1 660 161 161 ILE C C 177.991 0.073 1 661 161 161 ILE CA C 60.801 0.170 1 662 161 161 ILE CB C 38.938 0.227 1 663 161 161 ILE CD1 C 14.610 0.386 1 664 161 161 ILE CG1 C 26.106 0.080 1 665 161 161 ILE CG2 C 18.945 0.213 1 666 161 161 ILE N N 123.620 0.341 1 667 162 162 THR C C 174.289 0.166 1 668 162 162 THR CA C 62.967 0.387 1 669 162 162 THR CB C 69.140 0.160 1 670 162 162 THR N N 122.121 0.203 1 671 163 163 ARG CA C 54.382 0.177 1 672 163 163 ARG CB C 34.233 0.046 1 673 163 163 ARG N N 129.412 0.361 1 stop_ save_