data_25016 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Y125F mutant of eRF1 N-domain ; _BMRB_accession_number 25016 _BMRB_flat_file_name bmr25016.str _Entry_type original _Submission_date 2014-06-12 _Accession_date 2014-06-12 _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 Pillay Shubhadra . . 2 Li Yan . . 3 Wong 'Leo E' . . 4 Pervushin Konstantin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 793 "13C chemical shifts" 441 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-15 original BMRB . stop_ _Original_release_date 2015-06-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insights of eRF1 mutants and their correlation with stop codon recognition ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pillay Shubhadra . . 2 Li Yan . . 3 Wong 'Leo E' . . 4 Pervushin Konstantin . . stop_ _Journal_abbreviation 'ACS chemical biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Y125F mutant of eRF1 N-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Y125F mutant of eRF1 N-domain' $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 entity _Molecular_mass 15682.319 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADEFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NTSLFLCDNKFHTEALTALL SD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ASP 4 4 ASP 5 5 PRO 6 6 SER 7 7 ALA 8 8 ALA 9 9 ASP 10 10 ARG 11 11 ASN 12 12 VAL 13 13 GLU 14 14 ILE 15 15 TRP 16 16 LYS 17 17 ILE 18 18 LYS 19 19 LYS 20 20 LEU 21 21 ILE 22 22 LYS 23 23 SER 24 24 LEU 25 25 GLU 26 26 ALA 27 27 ALA 28 28 ARG 29 29 GLY 30 30 ASN 31 31 GLY 32 32 THR 33 33 SER 34 34 MET 35 35 ILE 36 36 SER 37 37 LEU 38 38 ILE 39 39 ILE 40 40 PRO 41 41 PRO 42 42 LYS 43 43 ASP 44 44 GLN 45 45 ILE 46 46 SER 47 47 ARG 48 48 VAL 49 49 ALA 50 50 LYS 51 51 MET 52 52 LEU 53 53 ALA 54 54 ASP 55 55 GLU 56 56 PHE 57 57 GLY 58 58 THR 59 59 ALA 60 60 SER 61 61 ASN 62 62 ILE 63 63 LYS 64 64 SER 65 65 ARG 66 66 VAL 67 67 ASN 68 68 ARG 69 69 LEU 70 70 SER 71 71 VAL 72 72 LEU 73 73 GLY 74 74 ALA 75 75 ILE 76 76 THR 77 77 SER 78 78 VAL 79 79 GLN 80 80 GLN 81 81 ARG 82 82 LEU 83 83 LYS 84 84 LEU 85 85 TYR 86 86 ASN 87 87 LYS 88 88 VAL 89 89 PRO 90 90 PRO 91 91 ASN 92 92 GLY 93 93 LEU 94 94 VAL 95 95 VAL 96 96 TYR 97 97 CYS 98 98 GLY 99 99 THR 100 100 ILE 101 101 VAL 102 102 THR 103 103 GLU 104 104 GLU 105 105 GLY 106 106 LYS 107 107 GLU 108 108 LYS 109 109 LYS 110 110 VAL 111 111 ASN 112 112 ILE 113 113 ASP 114 114 PHE 115 115 GLU 116 116 PRO 117 117 PHE 118 118 LYS 119 119 PRO 120 120 ILE 121 121 ASN 122 122 THR 123 123 SER 124 124 LEU 125 125 PHE 126 126 LEU 127 127 CYS 128 128 ASP 129 129 ASN 130 130 LYS 131 131 PHE 132 132 HIS 133 133 THR 134 134 GLU 135 135 ALA 136 136 LEU 137 137 THR 138 138 ALA 139 139 LEU 140 140 LEU 141 141 SER 142 142 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 18092 NeRF1 100.00 150 99.30 100.00 4.55e-98 BMRB 19506 eRF1 100.00 445 99.30 100.00 9.55e-95 BMRB 25020 entity 100.00 142 98.59 100.00 2.84e-97 PDB 1DT9 "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" 100.00 437 99.30 100.00 1.21e-94 PDB 2LLX "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" 100.00 150 99.30 100.00 4.55e-98 PDB 2MQ6 "Solution Structure Of Y125f Mutant Of Erf1 N-domain" 100.00 142 100.00 100.00 3.72e-98 PDB 2MQ9 "Solution Structure Of E55q Mutant Of Erf1 N-domain" 100.00 142 98.59 100.00 2.84e-97 PDB 3E1Y "Crystal Structure Of Human Erf1ERF3 COMPLEX" 100.00 451 99.30 100.00 9.13e-95 PDB 3J5Y "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" 95.77 414 99.26 100.00 6.84e-90 PDB 4D5N "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 97.18 436 99.28 100.00 2.53e-91 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 97.18 436 99.28 100.00 2.53e-91 DBJ BAA85489 "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" 100.00 437 99.30 100.00 1.21e-94 DBJ BAC33839 "unnamed protein product [Mus musculus]" 100.00 437 99.30 100.00 1.11e-94 DBJ BAE31210 "unnamed protein product [Mus musculus]" 64.79 387 98.91 100.00 2.52e-56 DBJ BAE31619 "unnamed protein product [Mus musculus]" 64.79 387 98.91 100.00 2.52e-56 DBJ BAE37589 "unnamed protein product [Mus musculus]" 100.00 437 99.30 100.00 1.21e-94 EMBL CAA37987 "suppressor [Xenopus laevis]" 100.00 437 99.30 100.00 9.75e-95 EMBL CAA57281 "C11 protein [Homo sapiens]" 100.00 437 99.30 100.00 1.21e-94 EMBL CAA57282 "C11 protein [Mesocricetus auratus]" 100.00 437 99.30 100.00 1.21e-94 EMBL CAA78620 "XLCL1 [Xenopus laevis]" 100.00 437 99.30 100.00 9.75e-95 EMBL CAF90786 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 443 99.30 100.00 1.52e-94 GB AAA36665 "TB3-1 [Homo sapiens]" 100.00 428 98.59 99.30 2.40e-93 GB AAB49726 "eukaryotic release factor 1 [Homo sapiens]" 100.00 437 99.30 100.00 1.21e-94 GB AAD43966 "eRF1 [Homo sapiens]" 100.00 437 99.30 100.00 1.21e-94 GB AAH13717 "Eukaryotic translation termination factor 1 [Mus musculus]" 100.00 437 98.59 99.30 1.07e-93 GB AAH14269 "ETF1 protein [Homo sapiens]" 76.76 404 99.08 100.00 4.41e-69 REF NP_001008345 "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" 100.00 437 99.30 100.00 1.21e-94 REF NP_001069722 "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 99.30 100.00 1.21e-94 REF NP_001076236 "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" 100.00 437 99.30 100.00 1.21e-94 REF NP_001084363 "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" 100.00 437 99.30 100.00 9.75e-95 REF NP_001126989 "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" 100.00 437 99.30 100.00 1.10e-94 SP P35615 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" 100.00 437 99.30 100.00 9.75e-95 SP P62495 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" 100.00 437 99.30 100.00 1.21e-94 SP P62496 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" 100.00 437 99.30 100.00 1.21e-94 SP P62497 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 100.00 437 99.30 100.00 1.21e-94 SP P62498 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 100.00 437 99.30 100.00 1.25e-94 TPG DAA27419 "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 99.30 100.00 1.21e-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 $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 . pET23(+) 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 1 mM '[U-99% 15N]' MES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 100 . mM pH 6 . pH pressure 1 . atm temperature 298 . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'Y125F mutant of eRF1 N-domain' _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 3 3 ASP H H 8.127 0.020 . 2 3 3 ASP HA H 3.967 0.020 . 3 3 3 ASP HB2 H 2.310 0.020 . 4 3 3 ASP HB3 H 2.310 0.020 . 5 3 3 ASP CA C 53.824 0.300 . 6 3 3 ASP N N 119.181 0.300 . 7 4 4 ASP H H 7.878 0.020 . 8 4 4 ASP HA H 4.279 0.020 . 9 4 4 ASP HB2 H 2.288 0.020 . 10 4 4 ASP HB3 H 2.288 0.020 . 11 4 4 ASP N N 121.667 0.300 . 12 5 5 PRO HA H 4.184 0.020 . 13 5 5 PRO HB2 H 2.045 0.020 . 14 5 5 PRO HB3 H 2.045 0.020 . 15 5 5 PRO HG2 H 1.742 0.020 . 16 5 5 PRO HG3 H 1.742 0.020 . 17 5 5 PRO HD2 H 3.590 0.020 . 18 5 5 PRO HD3 H 3.590 0.020 . 19 5 5 PRO CA C 63.685 0.300 . 20 5 5 PRO CB C 31.833 0.300 . 21 5 5 PRO CG C 26.856 0.300 . 22 6 6 SER H H 8.234 0.020 . 23 6 6 SER HA H 4.543 0.020 . 24 6 6 SER HB2 H 4.179 0.020 . 25 6 6 SER HB3 H 4.179 0.020 . 26 6 6 SER CA C 58.793 0.300 . 27 6 6 SER CB C 63.534 0.300 . 28 6 6 SER N N 115.854 0.300 . 29 7 7 ALA H H 7.776 0.020 . 30 7 7 ALA HA H 4.517 0.020 . 31 7 7 ALA HB H 1.150 0.020 . 32 7 7 ALA CA C 53.184 0.300 . 33 7 7 ALA CB C 18.694 0.300 . 34 7 7 ALA N N 125.965 0.300 . 35 8 8 ALA H H 7.831 0.020 . 36 8 8 ALA HA H 4.251 0.020 . 37 8 8 ALA HB H 1.112 0.020 . 38 8 8 ALA CA C 53.381 0.300 . 39 8 8 ALA CB C 18.411 0.300 . 40 8 8 ALA N N 122.406 0.300 . 41 9 9 ASP H H 7.882 0.020 . 42 9 9 ASP HA H 4.239 0.020 . 43 9 9 ASP HB2 H 2.445 0.020 . 44 9 9 ASP HB3 H 2.445 0.020 . 45 9 9 ASP CA C 54.957 0.300 . 46 9 9 ASP CB C 40.623 0.300 . 47 9 9 ASP N N 119.338 0.300 . 48 10 10 ARG H H 7.956 0.020 . 49 10 10 ARG HA H 3.835 0.020 . 50 10 10 ARG HB2 H 1.576 0.020 . 51 10 10 ARG HB3 H 1.576 0.020 . 52 10 10 ARG HG2 H 1.325 0.020 . 53 10 10 ARG HG3 H 1.325 0.020 . 54 10 10 ARG CA C 57.701 0.300 . 55 10 10 ARG CB C 29.881 0.300 . 56 10 10 ARG CG C 26.837 0.300 . 57 10 10 ARG N N 122.225 0.300 . 58 11 11 ASN H H 8.010 0.020 . 59 11 11 ASN HA H 4.233 0.020 . 60 11 11 ASN HB2 H 2.495 0.020 . 61 11 11 ASN HB3 H 2.495 0.020 . 62 11 11 ASN HD21 H 7.469 0.020 . 63 11 11 ASN HD22 H 6.709 0.020 . 64 11 11 ASN CA C 55.040 0.300 . 65 11 11 ASN CB C 37.793 0.300 . 66 11 11 ASN N N 118.433 0.300 . 67 11 11 ASN ND2 N 113.774 0.300 . 68 12 12 VAL H H 7.689 0.020 . 69 12 12 VAL HA H 3.565 0.020 . 70 12 12 VAL HB H 1.899 0.020 . 71 12 12 VAL HG1 H 0.743 0.020 . 72 12 12 VAL HG2 H 0.743 0.020 . 73 12 12 VAL CA C 65.406 0.300 . 74 12 12 VAL CB C 31.559 0.300 . 75 12 12 VAL CG1 C 20.934 0.300 . 76 12 12 VAL CG2 C 21.838 0.300 . 77 12 12 VAL N N 122.128 0.300 . 78 13 13 GLU H H 7.649 0.020 . 79 13 13 GLU HA H 3.755 0.020 . 80 13 13 GLU HB2 H 1.370 0.020 . 81 13 13 GLU HB3 H 1.370 0.020 . 82 13 13 GLU HG2 H 1.889 0.020 . 83 13 13 GLU HG3 H 1.889 0.020 . 84 13 13 GLU CA C 58.335 0.300 . 85 13 13 GLU CB C 29.406 0.300 . 86 13 13 GLU CG C 35.262 0.300 . 87 13 13 GLU N N 120.502 0.300 . 88 14 14 ILE H H 7.687 0.020 . 89 14 14 ILE HA H 3.169 0.020 . 90 14 14 ILE HB H 1.519 0.020 . 91 14 14 ILE HG12 H 1.205 0.020 . 92 14 14 ILE HG13 H 0.456 0.020 . 93 14 14 ILE HG2 H 0.453 0.020 . 94 14 14 ILE HD1 H 0.450 0.020 . 95 14 14 ILE CA C 65.039 0.300 . 96 14 14 ILE CB C 37.456 0.300 . 97 14 14 ILE CG1 C 29.508 0.300 . 98 14 14 ILE CG2 C 16.833 0.300 . 99 14 14 ILE CD1 C 13.041 0.300 . 100 14 14 ILE N N 120.771 0.300 . 101 15 15 TRP H H 7.692 0.020 . 102 15 15 TRP HA H 3.976 0.020 . 103 15 15 TRP HB2 H 3.146 0.020 . 104 15 15 TRP HB3 H 3.146 0.020 . 105 15 15 TRP HD1 H 7.016 0.020 . 106 15 15 TRP HE1 H 9.907 0.020 . 107 15 15 TRP HE3 H 7.335 0.020 . 108 15 15 TRP HH2 H 6.936 0.020 . 109 15 15 TRP CA C 60.422 0.300 . 110 15 15 TRP CB C 28.405 0.300 . 111 15 15 TRP CD1 C 127.504 0.300 . 112 15 15 TRP CE3 C 121.085 0.300 . 113 15 15 TRP CZ2 C 114.873 0.300 . 114 15 15 TRP CZ3 C 122.203 0.300 . 115 15 15 TRP CH2 C 124.846 0.300 . 116 15 15 TRP N N 120.814 0.300 . 117 15 15 TRP NE1 N 129.741 0.300 . 118 16 16 LYS H H 7.810 0.020 . 119 16 16 LYS HA H 3.464 0.020 . 120 16 16 LYS HB2 H 1.550 0.020 . 121 16 16 LYS HB3 H 1.550 0.020 . 122 16 16 LYS HG2 H 1.361 0.020 . 123 16 16 LYS HG3 H 1.035 0.020 . 124 16 16 LYS HE2 H 2.499 0.020 . 125 16 16 LYS HE3 H 2.499 0.020 . 126 16 16 LYS CA C 59.949 0.300 . 127 16 16 LYS CB C 32.138 0.300 . 128 16 16 LYS CG C 25.288 0.300 . 129 16 16 LYS N N 119.233 0.300 . 130 17 17 ILE H H 7.528 0.020 . 131 17 17 ILE HA H 3.495 0.020 . 132 17 17 ILE HB H 1.782 0.020 . 133 17 17 ILE HG12 H 1.048 0.020 . 134 17 17 ILE HG13 H 1.048 0.020 . 135 17 17 ILE HG2 H 0.712 0.020 . 136 17 17 ILE HD1 H 0.619 0.020 . 137 17 17 ILE CA C 63.315 0.300 . 138 17 17 ILE CB C 36.526 0.300 . 139 17 17 ILE CG1 C 28.709 0.300 . 140 17 17 ILE CG2 C 18.426 0.300 . 141 17 17 ILE CD1 C 12.144 0.300 . 142 17 17 ILE N N 120.810 0.300 . 143 18 18 LYS H H 8.197 0.020 . 144 18 18 LYS HA H 3.510 0.020 . 145 18 18 LYS HB2 H 1.503 0.020 . 146 18 18 LYS HB3 H 1.503 0.020 . 147 18 18 LYS HG2 H 1.021 0.020 . 148 18 18 LYS HG3 H 1.021 0.020 . 149 18 18 LYS HD2 H 1.196 0.020 . 150 18 18 LYS HD3 H 1.196 0.020 . 151 18 18 LYS HE2 H 2.495 0.020 . 152 18 18 LYS HE3 H 2.495 0.020 . 153 18 18 LYS CA C 60.846 0.300 . 154 18 18 LYS CB C 32.082 0.300 . 155 18 18 LYS CG C 26.553 0.300 . 156 18 18 LYS CD C 29.340 0.300 . 157 18 18 LYS CE C 41.533 0.300 . 158 18 18 LYS N N 121.692 0.300 . 159 19 19 LYS H H 7.588 0.020 . 160 19 19 LYS HA H 3.547 0.020 . 161 19 19 LYS HB2 H 1.343 0.020 . 162 19 19 LYS HB3 H 1.343 0.020 . 163 19 19 LYS HG2 H 0.999 0.020 . 164 19 19 LYS HG3 H 0.999 0.020 . 165 19 19 LYS CA C 58.945 0.300 . 166 19 19 LYS CB C 31.841 0.300 . 167 19 19 LYS CG C 24.389 0.300 . 168 19 19 LYS CD C 29.063 0.300 . 169 19 19 LYS N N 119.139 0.300 . 170 20 20 LEU H H 7.431 0.020 . 171 20 20 LEU HA H 3.755 0.020 . 172 20 20 LEU HB2 H 1.501 0.020 . 173 20 20 LEU HB3 H 1.286 0.020 . 174 20 20 LEU HG H 1.075 0.020 . 175 20 20 LEU HD1 H 0.426 0.020 . 176 20 20 LEU HD2 H 0.426 0.020 . 177 20 20 LEU CA C 57.673 0.300 . 178 20 20 LEU CB C 41.492 0.300 . 179 20 20 LEU CG C 26.550 0.300 . 180 20 20 LEU CD1 C 23.377 0.300 . 181 20 20 LEU CD2 C 25.577 0.300 . 182 20 20 LEU N N 122.980 0.300 . 183 21 21 ILE H H 8.386 0.020 . 184 21 21 ILE HA H 3.042 0.020 . 185 21 21 ILE HB H 1.482 0.020 . 186 21 21 ILE HG12 H 1.556 0.020 . 187 21 21 ILE HG13 H 1.556 0.020 . 188 21 21 ILE HG2 H 0.565 0.020 . 189 21 21 ILE HD1 H 0.522 0.020 . 190 21 21 ILE CA C 66.235 0.300 . 191 21 21 ILE CB C 38.085 0.300 . 192 21 21 ILE CG1 C 29.956 0.300 . 193 21 21 ILE CG2 C 17.009 0.300 . 194 21 21 ILE CD1 C 14.375 0.300 . 195 21 21 ILE N N 119.488 0.300 . 196 22 22 LYS H H 7.327 0.020 . 197 22 22 LYS HA H 3.749 0.020 . 198 22 22 LYS HB2 H 1.574 0.020 . 199 22 22 LYS HB3 H 1.574 0.020 . 200 22 22 LYS HG2 H 1.209 0.020 . 201 22 22 LYS HG3 H 1.209 0.020 . 202 22 22 LYS CA C 58.540 0.300 . 203 22 22 LYS CB C 31.845 0.300 . 204 22 22 LYS CG C 25.024 0.300 . 205 22 22 LYS CE C 41.900 0.300 . 206 22 22 LYS N N 117.930 0.300 . 207 23 23 SER H H 7.587 0.020 . 208 23 23 SER HA H 3.950 0.020 . 209 23 23 SER HB2 H 3.668 0.020 . 210 23 23 SER HB3 H 3.668 0.020 . 211 23 23 SER CA C 61.139 0.300 . 212 23 23 SER CB C 61.186 0.300 . 213 23 23 SER N N 114.879 0.300 . 214 24 24 LEU H H 7.969 0.020 . 215 24 24 LEU HA H 3.898 0.020 . 216 24 24 LEU HB2 H 1.301 0.020 . 217 24 24 LEU HB3 H 1.301 0.020 . 218 24 24 LEU HG H 1.281 0.020 . 219 24 24 LEU HD1 H -0.195 0.020 . 220 24 24 LEU HD2 H -0.195 0.020 . 221 24 24 LEU CA C 56.720 0.300 . 222 24 24 LEU CB C 41.530 0.300 . 223 24 24 LEU CG C 25.670 0.300 . 224 24 24 LEU CD1 C 21.229 0.300 . 225 24 24 LEU CD2 C 25.728 0.300 . 226 24 24 LEU N N 121.563 0.300 . 227 25 25 GLU H H 8.260 0.020 . 228 25 25 GLU HA H 3.792 0.020 . 229 25 25 GLU HB2 H 1.797 0.020 . 230 25 25 GLU HB3 H 1.797 0.020 . 231 25 25 GLU HG2 H 2.058 0.020 . 232 25 25 GLU HG3 H 2.058 0.020 . 233 25 25 GLU CA C 58.627 0.300 . 234 25 25 GLU CB C 29.339 0.300 . 235 25 25 GLU CG C 36.192 0.300 . 236 25 25 GLU N N 120.029 0.300 . 237 26 26 ALA H H 7.161 0.020 . 238 26 26 ALA HA H 4.039 0.020 . 239 26 26 ALA HB H 1.183 0.020 . 240 26 26 ALA CA C 52.001 0.300 . 241 26 26 ALA CB C 19.015 0.300 . 242 26 26 ALA N N 119.109 0.300 . 243 27 27 ALA H H 6.768 0.020 . 244 27 27 ALA HA H 3.969 0.020 . 245 27 27 ALA HB H 1.198 0.020 . 246 27 27 ALA CA C 52.464 0.300 . 247 27 27 ALA CB C 19.150 0.300 . 248 27 27 ALA N N 121.342 0.300 . 249 28 28 ARG H H 8.604 0.020 . 250 28 28 ARG HA H 4.509 0.020 . 251 28 28 ARG HB2 H 1.602 0.020 . 252 28 28 ARG HB3 H 1.602 0.020 . 253 28 28 ARG HG2 H 1.220 0.020 . 254 28 28 ARG HG3 H 1.220 0.020 . 255 28 28 ARG HD2 H 3.096 0.020 . 256 28 28 ARG HD3 H 2.868 0.020 . 257 28 28 ARG CA C 53.961 0.300 . 258 28 28 ARG CB C 33.071 0.300 . 259 28 28 ARG CG C 26.217 0.300 . 260 28 28 ARG CD C 43.067 0.300 . 261 28 28 ARG N N 124.390 0.300 . 262 29 29 GLY H H 7.842 0.020 . 263 29 29 GLY HA2 H 4.226 0.020 . 264 29 29 GLY HA3 H 3.494 0.020 . 265 29 29 GLY CA C 44.430 0.300 . 266 29 29 GLY N N 109.371 0.300 . 267 30 30 ASN H H 8.372 0.020 . 268 30 30 ASN HA H 4.562 0.020 . 269 30 30 ASN HB2 H 2.361 0.020 . 270 30 30 ASN HB3 H 2.361 0.020 . 271 30 30 ASN HD21 H 7.374 0.020 . 272 30 30 ASN HD22 H 6.591 0.020 . 273 30 30 ASN CA C 51.547 0.300 . 274 30 30 ASN CB C 38.087 0.300 . 275 30 30 ASN N N 119.611 0.300 . 276 30 30 ASN ND2 N 113.181 0.300 . 277 31 31 GLY H H 8.152 0.020 . 278 31 31 GLY HA2 H 3.732 0.020 . 279 31 31 GLY HA3 H 3.536 0.020 . 280 31 31 GLY CA C 45.043 0.300 . 281 31 31 GLY N N 111.406 0.300 . 282 32 32 THR H H 7.944 0.020 . 283 32 32 THR HA H 4.563 0.020 . 284 32 32 THR HB H 3.722 0.020 . 285 32 32 THR HG2 H 0.842 0.020 . 286 32 32 THR CA C 59.419 0.300 . 287 32 32 THR CG2 C 21.509 0.300 . 288 32 32 THR N N 114.703 0.300 . 289 33 33 SER H H 7.428 0.020 . 290 33 33 SER HA H 4.077 0.020 . 291 33 33 SER HB2 H 3.741 0.020 . 292 33 33 SER HB3 H 3.351 0.020 . 293 33 33 SER CA C 57.392 0.300 . 294 33 33 SER CB C 64.394 0.300 . 295 33 33 SER N N 114.110 0.300 . 296 34 34 MET H H 8.422 0.020 . 297 34 34 MET HA H 4.604 0.020 . 298 34 34 MET HB2 H 1.223 0.020 . 299 34 34 MET HB3 H 0.880 0.020 . 300 34 34 MET HG2 H 1.542 0.020 . 301 34 34 MET HG3 H 1.542 0.020 . 302 34 34 MET HE H 0.657 0.020 . 303 34 34 MET CA C 54.772 0.300 . 304 34 34 MET CB C 34.339 0.300 . 305 34 34 MET CG C 31.148 0.300 . 306 34 34 MET CE C 17.441 0.300 . 307 34 34 MET N N 121.106 0.300 . 308 35 35 ILE H H 9.499 0.020 . 309 35 35 ILE HA H 4.832 0.020 . 310 35 35 ILE HB H 1.759 0.020 . 311 35 35 ILE HG12 H 1.425 0.020 . 312 35 35 ILE HG13 H 0.877 0.020 . 313 35 35 ILE HG2 H 0.659 0.020 . 314 35 35 ILE HD1 H 0.686 0.020 . 315 35 35 ILE CA C 60.511 0.300 . 316 35 35 ILE CB C 39.958 0.300 . 317 35 35 ILE CG1 C 28.390 0.300 . 318 35 35 ILE CG2 C 17.765 0.300 . 319 35 35 ILE CD1 C 13.709 0.300 . 320 35 35 ILE N N 127.124 0.300 . 321 36 36 SER H H 8.340 0.020 . 322 36 36 SER HA H 4.902 0.020 . 323 36 36 SER HB2 H 3.693 0.020 . 324 36 36 SER HB3 H 3.693 0.020 . 325 36 36 SER CA C 57.054 0.300 . 326 36 36 SER CB C 63.000 0.300 . 327 36 36 SER N N 122.391 0.300 . 328 37 37 LEU H H 8.649 0.020 . 329 37 37 LEU HA H 5.143 0.020 . 330 37 37 LEU HB2 H 1.634 0.020 . 331 37 37 LEU HB3 H 0.964 0.020 . 332 37 37 LEU HG H 1.117 0.020 . 333 37 37 LEU HD1 H 0.682 0.020 . 334 37 37 LEU HD2 H 0.438 0.020 . 335 37 37 LEU CA C 53.165 0.300 . 336 37 37 LEU CB C 45.207 0.300 . 337 37 37 LEU CG C 27.218 0.300 . 338 37 37 LEU CD1 C 24.000 0.300 . 339 37 37 LEU CD2 C 27.142 0.300 . 340 37 37 LEU N N 128.668 0.300 . 341 38 38 ILE H H 9.052 0.020 . 342 38 38 ILE HA H 4.377 0.020 . 343 38 38 ILE HB H 1.356 0.020 . 344 38 38 ILE HG12 H 1.157 0.020 . 345 38 38 ILE HG13 H 1.157 0.020 . 346 38 38 ILE HG2 H 0.423 0.020 . 347 38 38 ILE HD1 H 0.476 0.020 . 348 38 38 ILE CA C 60.460 0.300 . 349 38 38 ILE CB C 39.645 0.300 . 350 38 38 ILE CG1 C 27.233 0.300 . 351 38 38 ILE CG2 C 17.545 0.300 . 352 38 38 ILE CD1 C 13.064 0.300 . 353 38 38 ILE N N 126.600 0.300 . 354 39 39 ILE H H 9.016 0.020 . 355 39 39 ILE HA H 4.069 0.020 . 356 39 39 ILE HB H 1.510 0.020 . 357 39 39 ILE HG12 H 1.135 0.020 . 358 39 39 ILE HG13 H 1.135 0.020 . 359 39 39 ILE HG2 H 0.650 0.020 . 360 39 39 ILE HD1 H 0.445 0.020 . 361 39 39 ILE CA C 57.415 0.300 . 362 39 39 ILE CB C 40.250 0.300 . 363 39 39 ILE CG1 C 25.759 0.300 . 364 39 39 ILE CG2 C 18.037 0.300 . 365 39 39 ILE CD1 C 14.622 0.300 . 366 39 39 ILE N N 129.811 0.300 . 367 40 40 PRO HA H 4.656 0.020 . 368 40 40 PRO HB2 H 1.849 0.020 . 369 40 40 PRO HB3 H 1.849 0.020 . 370 40 40 PRO HD2 H 3.413 0.020 . 371 40 40 PRO HD3 H 3.413 0.020 . 372 40 40 PRO CB C 30.862 0.300 . 373 40 40 PRO CG C 27.675 0.300 . 374 41 41 PRO HA H 4.565 0.020 . 375 41 41 PRO HB2 H 2.226 0.020 . 376 41 41 PRO HB3 H 2.226 0.020 . 377 41 41 PRO HG2 H 1.520 0.020 . 378 41 41 PRO HG3 H 1.520 0.020 . 379 41 41 PRO HD2 H 3.718 0.020 . 380 41 41 PRO HD3 H 3.718 0.020 . 381 41 41 PRO CA C 64.090 0.300 . 382 41 41 PRO CB C 32.143 0.300 . 383 41 41 PRO CG C 27.485 0.300 . 384 42 42 LYS H H 7.948 0.020 . 385 42 42 LYS HA H 3.799 0.020 . 386 42 42 LYS HB2 H 1.682 0.020 . 387 42 42 LYS HB3 H 1.682 0.020 . 388 42 42 LYS HG2 H 1.076 0.020 . 389 42 42 LYS HG3 H 1.076 0.020 . 390 42 42 LYS HD2 H 1.498 0.020 . 391 42 42 LYS HD3 H 1.498 0.020 . 392 42 42 LYS CA C 56.833 0.300 . 393 42 42 LYS CB C 30.174 0.300 . 394 42 42 LYS CG C 24.988 0.300 . 395 42 42 LYS CD C 28.782 0.300 . 396 42 42 LYS N N 113.384 0.300 . 397 43 43 ASP H H 7.203 0.020 . 398 43 43 ASP HA H 4.394 0.020 . 399 43 43 ASP HB2 H 2.312 0.020 . 400 43 43 ASP HB3 H 2.312 0.020 . 401 43 43 ASP CA C 52.607 0.300 . 402 43 43 ASP CB C 42.112 0.300 . 403 43 43 ASP N N 121.450 0.300 . 404 44 44 GLN H H 9.166 0.020 . 405 44 44 GLN HA H 4.404 0.020 . 406 44 44 GLN HB2 H 1.958 0.020 . 407 44 44 GLN HB3 H 1.598 0.020 . 408 44 44 GLN HG2 H 2.199 0.020 . 409 44 44 GLN HG3 H 2.199 0.020 . 410 44 44 GLN HE21 H 7.227 0.020 . 411 44 44 GLN HE22 H 6.576 0.020 . 412 44 44 GLN CA C 53.874 0.300 . 413 44 44 GLN CB C 31.503 0.300 . 414 44 44 GLN CG C 33.388 0.300 . 415 44 44 GLN N N 117.608 0.300 . 416 44 44 GLN NE2 N 113.366 0.300 . 417 45 45 ILE H H 8.694 0.020 . 418 45 45 ILE HA H 3.249 0.020 . 419 45 45 ILE HB H 1.597 0.020 . 420 45 45 ILE HG12 H 1.054 0.020 . 421 45 45 ILE HG13 H 1.054 0.020 . 422 45 45 ILE HG2 H 0.616 0.020 . 423 45 45 ILE HD1 H 0.312 0.020 . 424 45 45 ILE CA C 63.257 0.300 . 425 45 45 ILE CB C 36.128 0.300 . 426 45 45 ILE CG1 C 27.473 0.300 . 427 45 45 ILE CG2 C 16.832 0.300 . 428 45 45 ILE CD1 C 10.833 0.300 . 429 45 45 ILE N N 127.101 0.300 . 430 46 46 SER H H 8.384 0.020 . 431 46 46 SER HA H 3.850 0.020 . 432 46 46 SER HB2 H 3.621 0.020 . 433 46 46 SER HB3 H 3.621 0.020 . 434 46 46 SER CA C 60.677 0.300 . 435 46 46 SER CB C 61.589 0.300 . 436 46 46 SER N N 113.880 0.300 . 437 47 47 ARG H H 6.730 0.020 . 438 47 47 ARG HA H 3.793 0.020 . 439 47 47 ARG HB2 H 1.859 0.020 . 440 47 47 ARG HB3 H 1.701 0.020 . 441 47 47 ARG HG2 H 1.514 0.020 . 442 47 47 ARG HG3 H 1.514 0.020 . 443 47 47 ARG HD2 H 3.168 0.020 . 444 47 47 ARG CA C 59.815 0.300 . 445 47 47 ARG CB C 29.957 0.300 . 446 47 47 ARG CG C 26.707 0.300 . 447 47 47 ARG N N 124.819 0.300 . 448 48 48 VAL H H 7.216 0.020 . 449 48 48 VAL HA H 3.194 0.020 . 450 48 48 VAL HB H 1.794 0.020 . 451 48 48 VAL HG1 H 0.683 0.020 . 452 48 48 VAL HG2 H 0.572 0.020 . 453 48 48 VAL CA C 66.030 0.300 . 454 48 48 VAL CB C 31.486 0.300 . 455 48 48 VAL CG1 C 21.829 0.300 . 456 48 48 VAL CG2 C 22.188 0.300 . 457 48 48 VAL N N 121.944 0.300 . 458 49 49 ALA H H 8.665 0.020 . 459 49 49 ALA HA H 3.722 0.020 . 460 49 49 ALA HB H 1.129 0.020 . 461 49 49 ALA CA C 55.160 0.300 . 462 49 49 ALA CB C 17.744 0.300 . 463 49 49 ALA N N 121.910 0.300 . 464 50 50 LYS H H 7.264 0.020 . 465 50 50 LYS HA H 3.826 0.020 . 466 50 50 LYS HB2 H 1.685 0.020 . 467 50 50 LYS HB3 H 1.685 0.020 . 468 50 50 LYS HG2 H 1.164 0.020 . 469 50 50 LYS HG3 H 1.164 0.020 . 470 50 50 LYS HD2 H 1.296 0.020 . 471 50 50 LYS HD3 H 1.296 0.020 . 472 50 50 LYS CA C 58.772 0.300 . 473 50 50 LYS CB C 31.811 0.300 . 474 50 50 LYS CG C 24.654 0.300 . 475 50 50 LYS CD C 28.587 0.300 . 476 50 50 LYS N N 120.530 0.300 . 477 51 51 MET H H 7.563 0.020 . 478 51 51 MET HA H 3.879 0.020 . 479 51 51 MET HB2 H 2.049 0.020 . 480 51 51 MET HB3 H 1.755 0.020 . 481 51 51 MET HG2 H 2.429 0.020 . 482 51 51 MET HG3 H 2.429 0.020 . 483 51 51 MET HE H 1.409 0.020 . 484 51 51 MET CA C 58.861 0.300 . 485 51 51 MET CB C 30.581 0.300 . 486 51 51 MET CG C 30.907 0.300 . 487 51 51 MET CE C 15.892 0.300 . 488 51 51 MET N N 121.484 0.300 . 489 52 52 LEU H H 8.043 0.020 . 490 52 52 LEU HA H 3.529 0.020 . 491 52 52 LEU HB2 H 1.725 0.020 . 492 52 52 LEU HB3 H 0.947 0.020 . 493 52 52 LEU HG H 1.402 0.020 . 494 52 52 LEU HD1 H 0.375 0.020 . 495 52 52 LEU HD2 H 0.375 0.020 . 496 52 52 LEU CA C 57.345 0.300 . 497 52 52 LEU CB C 41.516 0.300 . 498 52 52 LEU CG C 26.529 0.300 . 499 52 52 LEU CD1 C 27.454 0.300 . 500 52 52 LEU CD2 C 22.581 0.300 . 501 52 52 LEU N N 120.082 0.300 . 502 53 53 ALA H H 7.631 0.020 . 503 53 53 ALA HA H 3.852 0.020 . 504 53 53 ALA HB H 1.203 0.020 . 505 53 53 ALA CA C 54.786 0.300 . 506 53 53 ALA CB C 17.489 0.300 . 507 53 53 ALA N N 122.982 0.300 . 508 54 54 ASP H H 8.380 0.020 . 509 54 54 ASP HA H 4.235 0.020 . 510 54 54 ASP HB2 H 2.676 0.020 . 511 54 54 ASP HB3 H 2.488 0.020 . 512 54 54 ASP CA C 57.085 0.300 . 513 54 54 ASP CB C 39.296 0.300 . 514 54 54 ASP N N 122.470 0.300 . 515 55 55 GLU H H 8.036 0.020 . 516 55 55 GLU HA H 3.864 0.020 . 517 55 55 GLU HB2 H 1.923 0.020 . 518 55 55 GLU HB3 H 1.923 0.020 . 519 55 55 GLU HG2 H 2.571 0.020 . 520 55 55 GLU HG3 H 2.475 0.020 . 521 55 55 GLU CA C 58.452 0.300 . 522 55 55 GLU CB C 28.714 0.300 . 523 55 55 GLU CG C 36.188 0.300 . 524 55 55 GLU N N 122.470 0.300 . 525 56 56 PHE H H 8.519 0.020 . 526 56 56 PHE HA H 3.624 0.020 . 527 56 56 PHE HB2 H 3.245 0.020 . 528 56 56 PHE HB3 H 2.847 0.020 . 529 56 56 PHE HD2 H 6.823 0.020 . 530 56 56 PHE HE2 H 7.069 0.020 . 531 56 56 PHE HZ H 7.030 0.020 . 532 56 56 PHE CA C 61.477 0.300 . 533 56 56 PHE CB C 38.998 0.300 . 534 56 56 PHE CD2 C 132.029 0.300 . 535 56 56 PHE CE2 C 132.239 0.300 . 536 56 56 PHE CZ C 130.336 0.300 . 537 56 56 PHE N N 122.414 0.300 . 538 57 57 GLY H H 7.849 0.020 . 539 57 57 GLY HA2 H 3.847 0.020 . 540 57 57 GLY HA3 H 3.663 0.020 . 541 57 57 GLY CA C 47.057 0.300 . 542 57 57 GLY N N 107.025 0.300 . 543 58 58 THR H H 7.876 0.020 . 544 58 58 THR HA H 4.545 0.020 . 545 58 58 THR HB H 3.869 0.020 . 546 58 58 THR HG2 H 1.091 0.020 . 547 58 58 THR CA C 65.875 0.300 . 548 58 58 THR CG2 C 22.131 0.300 . 549 58 58 THR N N 118.969 0.300 . 550 59 59 ALA H H 8.499 0.020 . 551 59 59 ALA HA H 3.888 0.020 . 552 59 59 ALA HB H 1.097 0.020 . 553 59 59 ALA CA C 53.821 0.300 . 554 59 59 ALA CB C 18.399 0.300 . 555 59 59 ALA N N 126.490 0.300 . 556 60 60 SER H H 7.437 0.020 . 557 60 60 SER HA H 4.497 0.020 . 558 60 60 SER HB2 H 3.698 0.020 . 559 60 60 SER HB3 H 3.698 0.020 . 560 60 60 SER CA C 60.522 0.300 . 561 60 60 SER CB C 63.000 0.300 . 562 60 60 SER N N 112.480 0.300 . 563 61 61 ASN H H 7.325 0.020 . 564 61 61 ASN HA H 4.446 0.020 . 565 61 61 ASN HB2 H 2.594 0.020 . 566 61 61 ASN HB3 H 2.594 0.020 . 567 61 61 ASN HD21 H 7.276 0.020 . 568 61 61 ASN HD22 H 6.746 0.020 . 569 61 61 ASN CA C 52.933 0.300 . 570 61 61 ASN CB C 39.012 0.300 . 571 61 61 ASN N N 117.329 0.300 . 572 61 61 ASN ND2 N 114.674 0.300 . 573 62 62 ILE H H 7.397 0.020 . 574 62 62 ILE HA H 3.602 0.020 . 575 62 62 ILE HB H 1.426 0.020 . 576 62 62 ILE HG12 H 1.519 0.020 . 577 62 62 ILE HG13 H 0.848 0.020 . 578 62 62 ILE HG2 H 0.786 0.020 . 579 62 62 ILE HD1 H 0.719 0.020 . 580 62 62 ILE CA C 63.205 0.300 . 581 62 62 ILE CB C 38.399 0.300 . 582 62 62 ILE CG1 C 29.016 0.300 . 583 62 62 ILE CG2 C 17.139 0.300 . 584 62 62 ILE CD1 C 13.709 0.300 . 585 62 62 ILE N N 123.819 0.300 . 586 63 63 LYS H H 8.312 0.020 . 587 63 63 LYS HA H 3.749 0.020 . 588 63 63 LYS HB2 H 1.561 0.020 . 589 63 63 LYS HB3 H 1.561 0.020 . 590 63 63 LYS HG2 H 1.283 0.020 . 591 63 63 LYS HG3 H 1.283 0.020 . 592 63 63 LYS HD2 H 1.421 0.020 . 593 63 63 LYS HD3 H 1.421 0.020 . 594 63 63 LYS HE2 H 2.665 0.020 . 595 63 63 LYS HE3 H 2.665 0.020 . 596 63 63 LYS CA C 58.556 0.300 . 597 63 63 LYS CB C 32.376 0.300 . 598 63 63 LYS CG C 24.897 0.300 . 599 63 63 LYS CD C 28.664 0.300 . 600 63 63 LYS N N 128.475 0.300 . 601 64 64 SER H H 7.521 0.020 . 602 64 64 SER HA H 4.524 0.020 . 603 64 64 SER HB2 H 4.232 0.020 . 604 64 64 SER HB3 H 3.775 0.020 . 605 64 64 SER CA C 56.637 0.300 . 606 64 64 SER CB C 65.460 0.300 . 607 64 64 SER N N 114.411 0.300 . 608 65 65 ARG H H 8.543 0.020 . 609 65 65 ARG HA H 3.593 0.020 . 610 65 65 ARG HB2 H 1.644 0.020 . 611 65 65 ARG HB3 H 1.644 0.020 . 612 65 65 ARG HG2 H 1.360 0.020 . 613 65 65 ARG HG3 H 1.360 0.020 . 614 65 65 ARG HD2 H 2.988 0.020 . 615 65 65 ARG HD3 H 2.988 0.020 . 616 65 65 ARG CA C 59.683 0.300 . 617 65 65 ARG CB C 29.958 0.300 . 618 65 65 ARG CG C 27.445 0.300 . 619 65 65 ARG N N 131.259 0.300 . 620 66 66 VAL H H 7.854 0.020 . 621 66 66 VAL HA H 3.509 0.020 . 622 66 66 VAL HB H 1.649 0.020 . 623 66 66 VAL HG1 H 0.729 0.020 . 624 66 66 VAL HG2 H 0.729 0.020 . 625 66 66 VAL CA C 65.377 0.300 . 626 66 66 VAL CB C 31.527 0.300 . 627 66 66 VAL CG1 C 21.545 0.300 . 628 66 66 VAL CG2 C 20.254 0.300 . 629 66 66 VAL N N 117.263 0.300 . 630 67 67 ASN H H 7.369 0.020 . 631 67 67 ASN HA H 4.296 0.020 . 632 67 67 ASN HB2 H 2.488 0.020 . 633 67 67 ASN HB3 H 2.488 0.020 . 634 67 67 ASN HD21 H 7.314 0.020 . 635 67 67 ASN HD22 H 6.746 0.020 . 636 67 67 ASN CA C 55.312 0.300 . 637 67 67 ASN CB C 38.064 0.300 . 638 67 67 ASN N N 119.952 0.300 . 639 67 67 ASN ND2 N 111.759 0.300 . 640 68 68 ARG H H 8.394 0.020 . 641 68 68 ARG HA H 3.581 0.020 . 642 68 68 ARG HB2 H 1.615 0.020 . 643 68 68 ARG HB3 H 1.615 0.020 . 644 68 68 ARG HG2 H 1.222 0.020 . 645 68 68 ARG HG3 H 1.222 0.020 . 646 68 68 ARG CA C 59.745 0.300 . 647 68 68 ARG CB C 30.559 0.300 . 648 68 68 ARG CG C 26.840 0.300 . 649 68 68 ARG N N 122.055 0.300 . 650 69 69 LEU H H 8.068 0.020 . 651 69 69 LEU HA H 3.711 0.020 . 652 69 69 LEU HB2 H 1.581 0.020 . 653 69 69 LEU HB3 H 1.295 0.020 . 654 69 69 LEU HG H 1.610 0.020 . 655 69 69 LEU HD1 H 0.651 0.020 . 656 69 69 LEU HD2 H 0.651 0.020 . 657 69 69 LEU CA C 57.961 0.300 . 658 69 69 LEU CB C 40.767 0.300 . 659 69 69 LEU CG C 27.105 0.300 . 660 69 69 LEU CD1 C 22.483 0.300 . 661 69 69 LEU CD2 C 24.656 0.300 . 662 69 69 LEU N N 117.095 0.300 . 663 70 70 SER H H 7.593 0.020 . 664 70 70 SER HA H 4.072 0.020 . 665 70 70 SER HB2 H 3.809 0.020 . 666 70 70 SER HB3 H 3.809 0.020 . 667 70 70 SER CA C 61.474 0.300 . 668 70 70 SER CB C 62.858 0.300 . 669 70 70 SER N N 116.380 0.300 . 670 71 71 VAL H H 7.929 0.020 . 671 71 71 VAL HA H 3.538 0.020 . 672 71 71 VAL HB H 1.764 0.020 . 673 71 71 VAL HG1 H 0.745 0.020 . 674 71 71 VAL HG2 H 0.745 0.020 . 675 71 71 VAL CA C 66.781 0.300 . 676 71 71 VAL CB C 31.803 0.300 . 677 71 71 VAL CG1 C 23.006 0.300 . 678 71 71 VAL CG2 C 21.769 0.300 . 679 71 71 VAL N N 124.377 0.300 . 680 72 72 LEU H H 8.272 0.020 . 681 72 72 LEU HA H 3.701 0.020 . 682 72 72 LEU HB2 H 1.450 0.020 . 683 72 72 LEU HB3 H 1.184 0.020 . 684 72 72 LEU HG H 1.404 0.020 . 685 72 72 LEU HD1 H 0.361 0.020 . 686 72 72 LEU HD2 H -0.214 0.020 . 687 72 72 LEU CA C 58.259 0.300 . 688 72 72 LEU CB C 40.315 0.300 . 689 72 72 LEU CG C 25.600 0.300 . 690 72 72 LEU CD1 C 25.715 0.300 . 691 72 72 LEU CD2 C 22.158 0.300 . 692 72 72 LEU N N 119.747 0.300 . 693 73 73 GLY H H 7.951 0.020 . 694 73 73 GLY HA2 H 3.696 0.020 . 695 73 73 GLY HA3 H 3.696 0.020 . 696 73 73 GLY CA C 46.943 0.300 . 697 73 73 GLY N N 106.741 0.300 . 698 74 74 ALA H H 7.636 0.020 . 699 74 74 ALA HA H 4.061 0.020 . 700 74 74 ALA HB H 1.365 0.020 . 701 74 74 ALA CA C 55.379 0.300 . 702 74 74 ALA CB C 17.773 0.300 . 703 74 74 ALA N N 127.169 0.300 . 704 75 75 ILE H H 8.529 0.020 . 705 75 75 ILE HA H 3.653 0.020 . 706 75 75 ILE HB H 1.848 0.020 . 707 75 75 ILE HG12 H 1.896 0.020 . 708 75 75 ILE HG13 H 0.759 0.020 . 709 75 75 ILE HG2 H 0.678 0.020 . 710 75 75 ILE HD1 H 0.613 0.020 . 711 75 75 ILE CA C 66.586 0.300 . 712 75 75 ILE CB C 38.411 0.300 . 713 75 75 ILE CG1 C 29.308 0.300 . 714 75 75 ILE CG2 C 18.060 0.300 . 715 75 75 ILE CD1 C 14.340 0.300 . 716 75 75 ILE N N 119.354 0.300 . 717 76 76 THR H H 8.289 0.020 . 718 76 76 THR HA H 4.049 0.020 . 719 76 76 THR HB H 3.703 0.020 . 720 76 76 THR HG2 H 1.036 0.020 . 721 76 76 THR CA C 66.462 0.300 . 722 76 76 THR CG2 C 21.212 0.300 . 723 76 76 THR N N 116.365 0.300 . 724 77 77 SER H H 7.734 0.020 . 725 77 77 SER HA H 3.994 0.020 . 726 77 77 SER HB2 H 3.823 0.020 . 727 77 77 SER HB3 H 3.823 0.020 . 728 77 77 SER HG H 4.536 0.020 . 729 77 77 SER CA C 62.366 0.300 . 730 77 77 SER CB C 62.758 0.300 . 731 77 77 SER N N 118.651 0.300 . 732 78 78 VAL H H 8.040 0.020 . 733 78 78 VAL HA H 3.414 0.020 . 734 78 78 VAL HB H 2.037 0.020 . 735 78 78 VAL HG1 H 0.883 0.020 . 736 78 78 VAL HG2 H 0.675 0.020 . 737 78 78 VAL CA C 66.706 0.300 . 738 78 78 VAL CB C 31.000 0.300 . 739 78 78 VAL CG1 C 23.869 0.300 . 740 78 78 VAL CG2 C 23.388 0.300 . 741 78 78 VAL N N 124.181 0.300 . 742 79 79 GLN H H 8.522 0.020 . 743 79 79 GLN HA H 3.669 0.020 . 744 79 79 GLN HB2 H 2.177 0.020 . 745 79 79 GLN HB3 H 1.671 0.020 . 746 79 79 GLN HG2 H 2.201 0.020 . 747 79 79 GLN HG3 H 1.929 0.020 . 748 79 79 GLN HE21 H 6.943 0.020 . 749 79 79 GLN HE22 H 6.334 0.020 . 750 79 79 GLN CA C 59.396 0.300 . 751 79 79 GLN CB C 29.042 0.300 . 752 79 79 GLN CG C 34.009 0.300 . 753 79 79 GLN N N 119.788 0.300 . 754 79 79 GLN NE2 N 109.622 0.300 . 755 80 80 GLN H H 7.802 0.020 . 756 80 80 GLN HA H 3.702 0.020 . 757 80 80 GLN HB2 H 1.981 0.020 . 758 80 80 GLN HB3 H 1.850 0.020 . 759 80 80 GLN HG2 H 2.314 0.020 . 760 80 80 GLN HG3 H 2.206 0.020 . 761 80 80 GLN HE21 H 7.129 0.020 . 762 80 80 GLN HE22 H 6.643 0.020 . 763 80 80 GLN CA C 58.442 0.300 . 764 80 80 GLN CB C 28.022 0.300 . 765 80 80 GLN CG C 33.666 0.300 . 766 80 80 GLN N N 116.895 0.300 . 767 80 80 GLN NE2 N 112.634 0.300 . 768 81 81 ARG H H 7.470 0.020 . 769 81 81 ARG HA H 3.901 0.020 . 770 81 81 ARG HB2 H 1.769 0.020 . 771 81 81 ARG HB3 H 1.666 0.020 . 772 81 81 ARG HG2 H 1.706 0.020 . 773 81 81 ARG HG3 H 1.394 0.020 . 774 81 81 ARG HD2 H 2.916 0.020 . 775 81 81 ARG HD3 H 2.916 0.020 . 776 81 81 ARG CA C 56.546 0.300 . 777 81 81 ARG CB C 28.390 0.300 . 778 81 81 ARG CG C 24.888 0.300 . 779 81 81 ARG N N 119.495 0.300 . 780 82 82 LEU H H 8.081 0.020 . 781 82 82 LEU HA H 3.749 0.020 . 782 82 82 LEU HB2 H 1.453 0.020 . 783 82 82 LEU HB3 H 1.245 0.020 . 784 82 82 LEU HG H 1.551 0.020 . 785 82 82 LEU HD1 H 0.334 0.020 . 786 82 82 LEU HD2 H 0.334 0.020 . 787 82 82 LEU CA C 57.071 0.300 . 788 82 82 LEU CB C 40.903 0.300 . 789 82 82 LEU CG C 26.219 0.300 . 790 82 82 LEU CD1 C 22.756 0.300 . 791 82 82 LEU CD2 C 25.269 0.300 . 792 82 82 LEU N N 117.481 0.300 . 793 83 83 LYS H H 6.989 0.020 . 794 83 83 LYS HA H 3.851 0.020 . 795 83 83 LYS HB2 H 1.592 0.020 . 796 83 83 LYS HB3 H 1.592 0.020 . 797 83 83 LYS HG2 H 1.354 0.020 . 798 83 83 LYS HG3 H 1.354 0.020 . 799 83 83 LYS HE2 H 2.617 0.020 . 800 83 83 LYS HE3 H 2.617 0.020 . 801 83 83 LYS CA C 57.531 0.300 . 802 83 83 LYS CB C 32.111 0.300 . 803 83 83 LYS CG C 24.941 0.300 . 804 83 83 LYS N N 115.350 0.300 . 805 84 84 LEU H H 7.184 0.020 . 806 84 84 LEU HA H 3.816 0.020 . 807 84 84 LEU HB2 H 1.490 0.020 . 808 84 84 LEU HB3 H 1.025 0.020 . 809 84 84 LEU HG H 1.468 0.020 . 810 84 84 LEU HD1 H 0.580 0.020 . 811 84 84 LEU HD2 H 0.580 0.020 . 812 84 84 LEU CA C 55.220 0.300 . 813 84 84 LEU CB C 40.608 0.300 . 814 84 84 LEU CG C 26.531 0.300 . 815 84 84 LEU CD1 C 24.949 0.300 . 816 84 84 LEU CD2 C 22.008 0.300 . 817 84 84 LEU N N 117.825 0.300 . 818 85 85 TYR H H 7.574 0.020 . 819 85 85 TYR HA H 4.168 0.020 . 820 85 85 TYR HB2 H 2.573 0.020 . 821 85 85 TYR HB3 H 2.573 0.020 . 822 85 85 TYR HD1 H 6.916 0.020 . 823 85 85 TYR HE1 H 6.384 0.020 . 824 85 85 TYR CA C 57.646 0.300 . 825 85 85 TYR CB C 39.633 0.300 . 826 85 85 TYR CD1 C 133.532 0.300 . 827 85 85 TYR CE1 C 118.052 0.300 . 828 85 85 TYR N N 119.712 0.300 . 829 86 86 ASN H H 8.545 0.020 . 830 86 86 ASN HA H 4.443 0.020 . 831 86 86 ASN HB2 H 2.550 0.020 . 832 86 86 ASN HB3 H 2.550 0.020 . 833 86 86 ASN HD21 H 7.372 0.020 . 834 86 86 ASN HD22 H 6.691 0.020 . 835 86 86 ASN CA C 53.882 0.300 . 836 86 86 ASN CB C 38.740 0.300 . 837 86 86 ASN N N 119.548 0.300 . 838 86 86 ASN ND2 N 113.463 0.300 . 839 87 87 LYS H H 7.534 0.020 . 840 87 87 LYS HA H 4.398 0.020 . 841 87 87 LYS HB2 H 1.621 0.020 . 842 87 87 LYS HB3 H 1.451 0.020 . 843 87 87 LYS HG2 H 1.111 0.020 . 844 87 87 LYS HG3 H 0.954 0.020 . 845 87 87 LYS HE2 H 2.571 0.020 . 846 87 87 LYS HE3 H 2.571 0.020 . 847 87 87 LYS CA C 54.108 0.300 . 848 87 87 LYS CB C 34.673 0.300 . 849 87 87 LYS CG C 23.102 0.300 . 850 87 87 LYS N N 116.315 0.300 . 851 88 88 VAL H H 8.286 0.020 . 852 88 88 VAL HA H 3.523 0.020 . 853 88 88 VAL HB H 1.658 0.020 . 854 88 88 VAL HG1 H 0.733 0.020 . 855 88 88 VAL HG2 H 0.484 0.020 . 856 88 88 VAL CA C 61.786 0.300 . 857 88 88 VAL CB C 32.351 0.300 . 858 88 88 VAL CG1 C 20.849 0.300 . 859 88 88 VAL CG2 C 23.444 0.300 . 860 88 88 VAL N N 125.253 0.300 . 861 89 89 PRO HA H 4.408 0.020 . 862 89 89 PRO HB2 H 2.212 0.020 . 863 89 89 PRO HB3 H 2.212 0.020 . 864 89 89 PRO HG2 H 1.716 0.020 . 865 89 89 PRO HG3 H 1.716 0.020 . 866 89 89 PRO HD2 H 3.602 0.020 . 867 89 89 PRO HD3 H 3.602 0.020 . 868 89 89 PRO CB C 29.924 0.300 . 869 89 89 PRO CG C 27.757 0.300 . 870 90 90 PRO HA H 4.386 0.020 . 871 90 90 PRO HB2 H 2.204 0.020 . 872 90 90 PRO HB3 H 2.204 0.020 . 873 90 90 PRO HG2 H 1.858 0.020 . 874 90 90 PRO HG3 H 1.858 0.020 . 875 90 90 PRO HD2 H 3.603 0.020 . 876 90 90 PRO HD3 H 3.603 0.020 . 877 90 90 PRO CA C 65.780 0.300 . 878 90 90 PRO CB C 29.635 0.300 . 879 90 90 PRO CG C 27.767 0.300 . 880 91 91 ASN H H 8.993 0.020 . 881 91 91 ASN HA H 4.437 0.020 . 882 91 91 ASN HB2 H 2.804 0.020 . 883 91 91 ASN HB3 H 2.429 0.020 . 884 91 91 ASN HD21 H 6.824 0.020 . 885 91 91 ASN HD22 H 6.024 0.020 . 886 91 91 ASN CA C 51.829 0.300 . 887 91 91 ASN CB C 37.168 0.300 . 888 91 91 ASN N N 112.710 0.300 . 889 91 91 ASN ND2 N 107.349 0.300 . 890 92 92 GLY H H 7.739 0.020 . 891 92 92 GLY HA2 H 4.210 0.020 . 892 92 92 GLY HA3 H 2.842 0.020 . 893 92 92 GLY CA C 43.010 0.300 . 894 92 92 GLY N N 108.770 0.300 . 895 93 93 LEU H H 8.442 0.020 . 896 93 93 LEU HA H 4.241 0.020 . 897 93 93 LEU HB2 H 1.079 0.020 . 898 93 93 LEU HB3 H 0.449 0.020 . 899 93 93 LEU HG H 0.707 0.020 . 900 93 93 LEU HD1 H -0.340 0.020 . 901 93 93 LEU HD2 H 0.120 0.020 . 902 93 93 LEU CA C 53.811 0.300 . 903 93 93 LEU CB C 47.421 0.300 . 904 93 93 LEU CG C 26.499 0.300 . 905 93 93 LEU CD1 C 24.353 0.300 . 906 93 93 LEU CD2 C 22.426 0.300 . 907 93 93 LEU N N 117.532 0.300 . 908 94 94 VAL H H 8.018 0.020 . 909 94 94 VAL HA H 4.037 0.020 . 910 94 94 VAL HB H 0.424 0.020 . 911 94 94 VAL HG1 H 0.124 0.020 . 912 94 94 VAL HG2 H 0.124 0.020 . 913 94 94 VAL CA C 60.324 0.300 . 914 94 94 VAL CB C 32.168 0.300 . 915 94 94 VAL CG1 C 22.813 0.300 . 916 94 94 VAL CG2 C 20.825 0.300 . 917 94 94 VAL N N 126.272 0.300 . 918 95 95 VAL H H 8.670 0.020 . 919 95 95 VAL HA H 4.506 0.020 . 920 95 95 VAL HB H 1.631 0.020 . 921 95 95 VAL HG1 H 0.681 0.020 . 922 95 95 VAL HG2 H 0.368 0.020 . 923 95 95 VAL CA C 60.199 0.300 . 924 95 95 VAL CB C 35.248 0.300 . 925 95 95 VAL CG1 C 22.417 0.300 . 926 95 95 VAL CG2 C 20.275 0.300 . 927 95 95 VAL N N 125.681 0.300 . 928 96 96 TYR H H 8.477 0.020 . 929 96 96 TYR HA H 5.204 0.020 . 930 96 96 TYR HB2 H 1.706 0.020 . 931 96 96 TYR HB3 H 1.480 0.020 . 932 96 96 TYR HD1 H 6.685 0.020 . 933 96 96 TYR HE1 H 6.352 0.020 . 934 96 96 TYR HH H 7.336 0.020 . 935 96 96 TYR CA C 56.257 0.300 . 936 96 96 TYR CB C 40.213 0.300 . 937 96 96 TYR CD1 C 133.280 0.300 . 938 96 96 TYR CE1 C 117.145 0.300 . 939 96 96 TYR N N 123.688 0.300 . 940 97 97 CYS H H 8.465 0.020 . 941 97 97 CYS HA H 5.495 0.020 . 942 97 97 CYS HB2 H 2.540 0.020 . 943 97 97 CYS HB3 H 2.540 0.020 . 944 97 97 CYS CA C 56.360 0.300 . 945 97 97 CYS CB C 31.857 0.300 . 946 97 97 CYS N N 120.223 0.300 . 947 98 98 GLY H H 8.754 0.020 . 948 98 98 GLY HA2 H 4.282 0.020 . 949 98 98 GLY HA3 H 4.282 0.020 . 950 98 98 GLY CA C 45.827 0.300 . 951 98 98 GLY N N 113.060 0.300 . 952 99 99 THR H H 7.965 0.020 . 953 99 99 THR HA H 4.625 0.020 . 954 99 99 THR HB H 3.694 0.020 . 955 99 99 THR HG2 H 0.838 0.020 . 956 99 99 THR CA C 62.220 0.300 . 957 99 99 THR CG2 C 21.862 0.300 . 958 99 99 THR N N 118.974 0.300 . 959 100 100 ILE H H 8.768 0.020 . 960 100 100 ILE HA H 4.359 0.020 . 961 100 100 ILE HB H 1.710 0.020 . 962 100 100 ILE HG12 H 1.093 0.020 . 963 100 100 ILE HG13 H 0.763 0.020 . 964 100 100 ILE HG2 H 0.473 0.020 . 965 100 100 ILE HD1 H 0.541 0.020 . 966 100 100 ILE CA C 58.770 0.300 . 967 100 100 ILE CB C 40.261 0.300 . 968 100 100 ILE CG1 C 26.495 0.300 . 969 100 100 ILE CG2 C 17.832 0.300 . 970 100 100 ILE CD1 C 14.017 0.300 . 971 100 100 ILE N N 123.363 0.300 . 972 101 101 VAL H H 8.259 0.020 . 973 101 101 VAL HA H 4.608 0.020 . 974 101 101 VAL HB H 1.506 0.020 . 975 101 101 VAL HG1 H 0.593 0.020 . 976 101 101 VAL HG2 H 0.593 0.020 . 977 101 101 VAL CA C 60.509 0.300 . 978 101 101 VAL CB C 32.910 0.300 . 979 101 101 VAL CG1 C 20.605 0.300 . 980 101 101 VAL CG2 C 20.737 0.300 . 981 101 101 VAL N N 121.580 0.300 . 982 102 102 THR H H 8.791 0.020 . 983 102 102 THR HA H 4.561 0.020 . 984 102 102 THR HB H 4.278 0.020 . 985 102 102 THR HG2 H 0.966 0.020 . 986 102 102 THR CA C 60.416 0.300 . 987 102 102 THR CG2 C 21.529 0.300 . 988 102 102 THR N N 118.873 0.300 . 989 103 103 GLU H H 9.156 0.020 . 990 103 103 GLU HA H 4.479 0.020 . 991 103 103 GLU HB2 H 1.811 0.020 . 992 103 103 GLU HB3 H 1.811 0.020 . 993 103 103 GLU HG2 H 2.094 0.020 . 994 103 103 GLU HG3 H 2.094 0.020 . 995 103 103 GLU CA C 58.930 0.300 . 996 103 103 GLU CB C 28.721 0.300 . 997 103 103 GLU CG C 36.197 0.300 . 998 103 103 GLU N N 121.933 0.300 . 999 104 104 GLU H H 7.650 0.020 . 1000 104 104 GLU HA H 4.101 0.020 . 1001 104 104 GLU HB2 H 1.888 0.020 . 1002 104 104 GLU HB3 H 1.600 0.020 . 1003 104 104 GLU HG2 H 1.955 0.020 . 1004 104 104 GLU HG3 H 1.955 0.020 . 1005 104 104 GLU CA C 56.209 0.300 . 1006 104 104 GLU CB C 29.636 0.300 . 1007 104 104 GLU CG C 36.345 0.300 . 1008 104 104 GLU N N 116.040 0.300 . 1009 105 105 GLY H H 7.973 0.020 . 1010 105 105 GLY HA2 H 3.874 0.020 . 1011 105 105 GLY HA3 H 3.280 0.020 . 1012 105 105 GLY CA C 45.176 0.300 . 1013 105 105 GLY N N 109.125 0.300 . 1014 106 106 LYS H H 6.875 0.020 . 1015 106 106 LYS HA H 4.253 0.020 . 1016 106 106 LYS HB2 H 1.569 0.020 . 1017 106 106 LYS HB3 H 1.396 0.020 . 1018 106 106 LYS HG2 H 1.030 0.020 . 1019 106 106 LYS HG3 H 1.030 0.020 . 1020 106 106 LYS CA C 54.501 0.300 . 1021 106 106 LYS CB C 33.369 0.300 . 1022 106 106 LYS CG C 24.927 0.300 . 1023 106 106 LYS CD C 28.426 0.300 . 1024 106 106 LYS N N 119.640 0.300 . 1025 107 107 GLU H H 8.275 0.020 . 1026 107 107 GLU HA H 4.896 0.020 . 1027 107 107 GLU HB2 H 1.635 0.020 . 1028 107 107 GLU HB3 H 1.505 0.020 . 1029 107 107 GLU HG2 H 2.060 0.020 . 1030 107 107 GLU HG3 H 1.752 0.020 . 1031 107 107 GLU CA C 55.470 0.300 . 1032 107 107 GLU CB C 31.293 0.300 . 1033 107 107 GLU CG C 37.000 0.300 . 1034 107 107 GLU N N 121.679 0.300 . 1035 108 108 LYS H H 8.819 0.020 . 1036 108 108 LYS HA H 4.370 0.020 . 1037 108 108 LYS HB2 H 1.384 0.020 . 1038 108 108 LYS HB3 H 1.384 0.020 . 1039 108 108 LYS HG2 H 1.070 0.020 . 1040 108 108 LYS HG3 H 0.964 0.020 . 1041 108 108 LYS CA C 54.922 0.300 . 1042 108 108 LYS CB C 35.915 0.300 . 1043 108 108 LYS CG C 24.367 0.300 . 1044 108 108 LYS CD C 29.297 0.300 . 1045 108 108 LYS N N 125.023 0.300 . 1046 109 109 LYS H H 8.490 0.020 . 1047 109 109 LYS HA H 4.568 0.020 . 1048 109 109 LYS HB2 H 1.516 0.020 . 1049 109 109 LYS HB3 H 1.516 0.020 . 1050 109 109 LYS HG2 H 1.230 0.020 . 1051 109 109 LYS CA C 55.698 0.300 . 1052 109 109 LYS CB C 32.411 0.300 . 1053 109 109 LYS CG C 24.817 0.300 . 1054 109 109 LYS CD C 28.704 0.300 . 1055 109 109 LYS N N 125.430 0.300 . 1056 110 110 VAL H H 8.739 0.020 . 1057 110 110 VAL HA H 4.035 0.020 . 1058 110 110 VAL HB H 1.766 0.020 . 1059 110 110 VAL HG1 H 0.647 0.020 . 1060 110 110 VAL CA C 61.326 0.300 . 1061 110 110 VAL CB C 34.190 0.300 . 1062 110 110 VAL CG1 C 20.929 0.300 . 1063 110 110 VAL CG2 C 20.541 0.300 . 1064 110 110 VAL N N 125.082 0.300 . 1065 111 111 ASN H H 8.619 0.020 . 1066 111 111 ASN HA H 5.217 0.020 . 1067 111 111 ASN HB2 H 2.428 0.020 . 1068 111 111 ASN HB3 H 2.428 0.020 . 1069 111 111 ASN HD21 H 7.380 0.020 . 1070 111 111 ASN HD22 H 6.132 0.020 . 1071 111 111 ASN CA C 53.146 0.300 . 1072 111 111 ASN CB C 40.559 0.300 . 1073 111 111 ASN N N 126.473 0.300 . 1074 111 111 ASN ND2 N 110.965 0.300 . 1075 112 112 ILE H H 8.865 0.020 . 1076 112 112 ILE HA H 4.289 0.020 . 1077 112 112 ILE HB H 1.722 0.020 . 1078 112 112 ILE HG12 H 1.316 0.020 . 1079 112 112 ILE HG13 H 0.941 0.020 . 1080 112 112 ILE HG2 H 0.835 0.020 . 1081 112 112 ILE HD1 H 0.565 0.020 . 1082 112 112 ILE CA C 60.032 0.300 . 1083 112 112 ILE CB C 41.496 0.300 . 1084 112 112 ILE CG1 C 27.456 0.300 . 1085 112 112 ILE CG2 C 17.175 0.300 . 1086 112 112 ILE CD1 C 13.706 0.300 . 1087 112 112 ILE N N 126.158 0.300 . 1088 113 113 ASP H H 8.014 0.020 . 1089 113 113 ASP HA H 5.619 0.020 . 1090 113 113 ASP HB2 H 2.349 0.020 . 1091 113 113 ASP HB3 H 2.056 0.020 . 1092 113 113 ASP CA C 52.091 0.300 . 1093 113 113 ASP CB C 43.707 0.300 . 1094 113 113 ASP N N 122.570 0.300 . 1095 114 114 PHE H H 8.569 0.020 . 1096 114 114 PHE HA H 4.584 0.020 . 1097 114 114 PHE HB2 H 3.127 0.020 . 1098 114 114 PHE HB3 H 2.671 0.020 . 1099 114 114 PHE HD1 H 6.602 0.020 . 1100 114 114 PHE HE1 H 6.748 0.020 . 1101 114 114 PHE HZ H 6.791 0.020 . 1102 114 114 PHE CA C 56.507 0.300 . 1103 114 114 PHE CB C 39.707 0.300 . 1104 114 114 PHE CD1 C 133.079 0.300 . 1105 114 114 PHE CE1 C 129.882 0.300 . 1106 114 114 PHE CZ C 128.414 0.300 . 1107 114 114 PHE N N 116.367 0.300 . 1108 115 115 GLU H H 8.486 0.020 . 1109 115 115 GLU HA H 4.605 0.020 . 1110 115 115 GLU HB2 H 1.554 0.020 . 1111 115 115 GLU HB3 H 1.554 0.020 . 1112 115 115 GLU HG2 H 1.909 0.020 . 1113 115 115 GLU HG3 H 1.909 0.020 . 1114 115 115 GLU CA C 51.719 0.300 . 1115 115 115 GLU CB C 32.786 0.300 . 1116 115 115 GLU N N 124.580 0.300 . 1117 116 116 PRO HA H 4.718 0.020 . 1118 116 116 PRO HB2 H 2.109 0.020 . 1119 116 116 PRO HB3 H 2.109 0.020 . 1120 116 116 PRO HG2 H 1.835 0.020 . 1121 116 116 PRO HG3 H 1.835 0.020 . 1122 116 116 PRO CA C 62.210 0.300 . 1123 116 116 PRO CB C 32.140 0.300 . 1124 116 116 PRO CG C 27.145 0.300 . 1125 117 117 PHE H H 7.493 0.020 . 1126 117 117 PHE HA H 4.424 0.020 . 1127 117 117 PHE HB2 H 3.061 0.020 . 1128 117 117 PHE HB3 H 2.785 0.020 . 1129 117 117 PHE HD1 H 6.984 0.020 . 1130 117 117 PHE HE1 H 6.968 0.020 . 1131 117 117 PHE HZ H 6.948 0.020 . 1132 117 117 PHE CA C 58.579 0.300 . 1133 117 117 PHE CB C 38.688 0.300 . 1134 117 117 PHE CD1 C 132.491 0.300 . 1135 117 117 PHE CE1 C 131.413 0.300 . 1136 117 117 PHE CZ C 130.382 0.300 . 1137 117 117 PHE N N 116.323 0.300 . 1138 118 118 LYS H H 6.791 0.020 . 1139 118 118 LYS HA H 4.125 0.020 . 1140 118 118 LYS HB2 H 1.327 0.020 . 1141 118 118 LYS HB3 H 0.978 0.020 . 1142 118 118 LYS HG2 H 0.575 0.020 . 1143 118 118 LYS HG3 H 0.575 0.020 . 1144 118 118 LYS HE2 H 2.642 0.020 . 1145 118 118 LYS HE3 H 2.642 0.020 . 1146 118 118 LYS CA C 52.477 0.300 . 1147 118 118 LYS CB C 33.875 0.300 . 1148 118 118 LYS CG C 23.988 0.300 . 1149 118 118 LYS N N 119.083 0.300 . 1150 119 119 PRO HA H 4.320 0.020 . 1151 119 119 PRO HB2 H 1.783 0.020 . 1152 119 119 PRO HB3 H 1.783 0.020 . 1153 119 119 PRO HG2 H 1.725 0.020 . 1154 119 119 PRO HG3 H 1.725 0.020 . 1155 119 119 PRO HD2 H 3.206 0.020 . 1156 119 119 PRO HD3 H 3.206 0.020 . 1157 119 119 PRO CB C 31.861 0.300 . 1158 119 119 PRO CG C 27.168 0.300 . 1159 120 120 ILE H H 7.460 0.020 . 1160 120 120 ILE HA H 3.928 0.020 . 1161 120 120 ILE HB H 1.355 0.020 . 1162 120 120 ILE HG12 H 1.297 0.020 . 1163 120 120 ILE HG13 H 0.795 0.020 . 1164 120 120 ILE HG2 H 0.688 0.020 . 1165 120 120 ILE HD1 H 0.481 0.020 . 1166 120 120 ILE CA C 59.720 0.300 . 1167 120 120 ILE CB C 39.643 0.300 . 1168 120 120 ILE CG1 C 27.648 0.300 . 1169 120 120 ILE CG2 C 17.567 0.300 . 1170 120 120 ILE CD1 C 14.027 0.300 . 1171 120 120 ILE N N 122.437 0.300 . 1172 121 121 ASN H H 8.021 0.020 . 1173 121 121 ASN HA H 4.586 0.020 . 1174 121 121 ASN HB2 H 2.578 0.020 . 1175 121 121 ASN HB3 H 2.303 0.020 . 1176 121 121 ASN HD21 H 7.239 0.020 . 1177 121 121 ASN HD22 H 6.467 0.020 . 1178 121 121 ASN CA C 52.958 0.300 . 1179 121 121 ASN CB C 38.957 0.300 . 1180 121 121 ASN N N 121.967 0.300 . 1181 121 121 ASN ND2 N 112.904 0.300 . 1182 122 122 THR H H 6.867 0.020 . 1183 122 122 THR HA H 4.090 0.020 . 1184 122 122 THR HB H 3.584 0.020 . 1185 122 122 THR HG2 H 0.734 0.020 . 1186 122 122 THR CA C 60.652 0.300 . 1187 122 122 THR CG2 C 20.592 0.300 . 1188 122 122 THR N N 114.928 0.300 . 1189 123 123 SER H H 7.689 0.020 . 1190 123 123 SER HA H 4.436 0.020 . 1191 123 123 SER HB2 H 3.478 0.020 . 1192 123 123 SER HB3 H 3.478 0.020 . 1193 123 123 SER CA C 56.389 0.300 . 1194 123 123 SER CB C 64.358 0.300 . 1195 123 123 SER N N 116.286 0.300 . 1196 124 124 LEU H H 8.300 0.020 . 1197 124 124 LEU HA H 4.359 0.020 . 1198 124 124 LEU HB2 H 1.242 0.020 . 1199 124 124 LEU HB3 H 1.166 0.020 . 1200 124 124 LEU HG H 1.113 0.020 . 1201 124 124 LEU HD1 H 0.601 0.020 . 1202 124 124 LEU HD2 H 0.510 0.020 . 1203 124 124 LEU CA C 54.792 0.300 . 1204 124 124 LEU CB C 46.780 0.300 . 1205 124 124 LEU CG C 26.858 0.300 . 1206 124 124 LEU CD1 C 23.343 0.300 . 1207 124 124 LEU CD2 C 25.849 0.300 . 1208 124 124 LEU N N 126.634 0.300 . 1209 125 125 PHE H H 8.357 0.020 . 1210 125 125 PHE HA H 5.134 0.020 . 1211 125 125 PHE HB2 H 2.663 0.020 . 1212 125 125 PHE HB3 H 2.906 0.020 . 1213 125 125 PHE HD1 H 6.953 0.020 . 1214 125 125 PHE HE1 H 6.316 0.020 . 1215 125 125 PHE CA C 58.480 0.300 . 1216 125 125 PHE CB C 39.644 0.300 . 1217 125 125 PHE CD1 C 132.874 0.300 . 1218 125 125 PHE N N 126.127 0.300 . 1219 126 126 LEU H H 8.264 0.020 . 1220 126 126 LEU HA H 4.150 0.020 . 1221 126 126 LEU HB2 H 1.070 0.020 . 1222 126 126 LEU HB3 H 0.664 0.020 . 1223 126 126 LEU HG H 1.056 0.020 . 1224 126 126 LEU HD1 H 0.475 0.020 . 1225 126 126 LEU HD2 H 0.150 0.020 . 1226 126 126 LEU CA C 53.789 0.300 . 1227 126 126 LEU CB C 47.153 0.300 . 1228 126 126 LEU CG C 26.817 0.300 . 1229 126 126 LEU CD1 C 23.458 0.300 . 1230 126 126 LEU CD2 C 24.317 0.300 . 1231 126 126 LEU N N 128.132 0.300 . 1232 127 127 CYS H H 8.141 0.020 . 1233 127 127 CYS HA H 4.757 0.020 . 1234 127 127 CYS HB2 H 2.594 0.020 . 1235 127 127 CYS HB3 H 2.342 0.020 . 1236 127 127 CYS HG H 1.046 0.020 . 1237 127 127 CYS CA C 56.941 0.300 . 1238 127 127 CYS CB C 26.529 0.300 . 1239 127 127 CYS N N 122.894 0.300 . 1240 128 128 ASP H H 9.018 0.020 . 1241 128 128 ASP HA H 4.817 0.020 . 1242 128 128 ASP HB2 H 2.402 0.020 . 1243 128 128 ASP HB3 H 2.402 0.020 . 1244 128 128 ASP CA C 52.442 0.300 . 1245 128 128 ASP CB C 44.618 0.300 . 1246 128 128 ASP N N 126.279 0.300 . 1247 129 129 ASN H H 9.125 0.020 . 1248 129 129 ASN HA H 4.494 0.020 . 1249 129 129 ASN HB2 H 2.814 0.020 . 1250 129 129 ASN HB3 H 2.408 0.020 . 1251 129 129 ASN HD21 H 7.270 0.020 . 1252 129 129 ASN HD22 H 6.423 0.020 . 1253 129 129 ASN CA C 52.308 0.300 . 1254 129 129 ASN CB C 37.902 0.300 . 1255 129 129 ASN N N 119.499 0.300 . 1256 129 129 ASN ND2 N 110.504 0.300 . 1257 130 130 LYS H H 6.960 0.020 . 1258 130 130 LYS HA H 4.046 0.020 . 1259 130 130 LYS HB2 H 1.499 0.020 . 1260 130 130 LYS HB3 H 1.499 0.020 . 1261 130 130 LYS HG2 H 0.312 0.020 . 1262 130 130 LYS HG3 H 0.921 0.020 . 1263 130 130 LYS HD2 H 1.208 0.020 . 1264 130 130 LYS HD3 H 1.208 0.020 . 1265 130 130 LYS CA C 54.104 0.300 . 1266 130 130 LYS CB C 33.947 0.300 . 1267 130 130 LYS CG C 21.585 0.300 . 1268 130 130 LYS CD C 28.696 0.300 . 1269 130 130 LYS N N 113.655 0.300 . 1270 131 131 PHE H H 9.411 0.020 . 1271 131 131 PHE HA H 4.469 0.020 . 1272 131 131 PHE HB2 H 2.397 0.020 . 1273 131 131 PHE HB3 H 2.162 0.020 . 1274 131 131 PHE HD1 H 7.044 0.020 . 1275 131 131 PHE HE1 H 6.868 0.020 . 1276 131 131 PHE HZ H 6.480 0.020 . 1277 131 131 PHE CA C 56.712 0.300 . 1278 131 131 PHE CB C 39.029 0.300 . 1279 131 131 PHE CD1 C 132.600 0.300 . 1280 131 131 PHE CE1 C 131.960 0.300 . 1281 131 131 PHE CZ C 128.852 0.300 . 1282 131 131 PHE N N 121.426 0.300 . 1283 132 132 HIS H H 8.826 0.020 . 1284 132 132 HIS HA H 3.637 0.020 . 1285 132 132 HIS HB2 H 2.648 0.020 . 1286 132 132 HIS HB3 H 2.648 0.020 . 1287 132 132 HIS HD2 H 7.107 0.020 . 1288 132 132 HIS CA C 56.568 0.300 . 1289 132 132 HIS CB C 28.243 0.300 . 1290 132 132 HIS CD2 C 119.204 0.300 . 1291 132 132 HIS N N 121.283 0.300 . 1292 133 133 THR H H 8.590 0.020 . 1293 133 133 THR HA H 4.527 0.020 . 1294 133 133 THR HB H 4.162 0.020 . 1295 133 133 THR HG2 H 0.596 0.020 . 1296 133 133 THR CA C 61.679 0.300 . 1297 133 133 THR CG2 C 21.325 0.300 . 1298 133 133 THR N N 117.967 0.300 . 1299 134 134 GLU H H 10.337 0.020 . 1300 134 134 GLU HA H 3.857 0.020 . 1301 134 134 GLU HB2 H 1.848 0.020 . 1302 134 134 GLU HB3 H 1.848 0.020 . 1303 134 134 GLU HG2 H 2.293 0.020 . 1304 134 134 GLU HG3 H 2.293 0.020 . 1305 134 134 GLU CA C 58.400 0.300 . 1306 134 134 GLU CB C 27.487 0.300 . 1307 134 134 GLU CG C 35.577 0.300 . 1308 134 134 GLU N N 129.143 0.300 . 1309 135 135 ALA H H 8.970 0.020 . 1310 135 135 ALA HA H 3.955 0.020 . 1311 135 135 ALA HB H 1.131 0.020 . 1312 135 135 ALA CA C 54.377 0.300 . 1313 135 135 ALA CB C 18.535 0.300 . 1314 135 135 ALA N N 122.436 0.300 . 1315 136 136 LEU H H 7.488 0.020 . 1316 136 136 LEU HA H 3.961 0.020 . 1317 136 136 LEU HB2 H 1.843 0.020 . 1318 136 136 LEU HB3 H 1.185 0.020 . 1319 136 136 LEU HG H 1.602 0.020 . 1320 136 136 LEU HD1 H 0.853 0.020 . 1321 136 136 LEU HD2 H 0.695 0.020 . 1322 136 136 LEU CA C 56.304 0.300 . 1323 136 136 LEU CB C 41.484 0.300 . 1324 136 136 LEU CG C 26.867 0.300 . 1325 136 136 LEU CD1 C 26.225 0.300 . 1326 136 136 LEU CD2 C 22.456 0.300 . 1327 136 136 LEU N N 117.126 0.300 . 1328 137 137 THR H H 7.839 0.020 . 1329 137 137 THR HA H 3.949 0.020 . 1330 137 137 THR HB H 3.517 0.020 . 1331 137 137 THR HG2 H 0.686 0.020 . 1332 137 137 THR CA C 66.609 0.300 . 1333 137 137 THR CG2 C 22.142 0.300 . 1334 137 137 THR N N 117.509 0.300 . 1335 138 138 ALA H H 7.727 0.020 . 1336 138 138 ALA HA H 3.942 0.020 . 1337 138 138 ALA HB H 1.205 0.020 . 1338 138 138 ALA CA C 54.786 0.300 . 1339 138 138 ALA CB C 17.745 0.300 . 1340 138 138 ALA N N 124.534 0.300 . 1341 139 139 LEU H H 7.266 0.020 . 1342 139 139 LEU HA H 3.922 0.020 . 1343 139 139 LEU HB2 H 1.605 0.020 . 1344 139 139 LEU HB3 H 1.605 0.020 . 1345 139 139 LEU HG H 1.476 0.020 . 1346 139 139 LEU HD1 H 0.569 0.020 . 1347 139 139 LEU HD2 H 0.569 0.020 . 1348 139 139 LEU CA C 57.151 0.300 . 1349 139 139 LEU CB C 41.835 0.300 . 1350 139 139 LEU CG C 26.840 0.300 . 1351 139 139 LEU CD1 C 24.945 0.300 . 1352 139 139 LEU CD2 C 24.331 0.300 . 1353 139 139 LEU N N 119.795 0.300 . 1354 140 140 LEU H H 7.644 0.020 . 1355 140 140 LEU HA H 3.904 0.020 . 1356 140 140 LEU HB2 H 1.599 0.020 . 1357 140 140 LEU HB3 H 1.599 0.020 . 1358 140 140 LEU HG H 1.565 0.020 . 1359 140 140 LEU HD1 H 0.620 0.020 . 1360 140 140 LEU HD2 H 0.620 0.020 . 1361 140 140 LEU CA C 56.538 0.300 . 1362 140 140 LEU CB C 41.187 0.300 . 1363 140 140 LEU CG C 26.525 0.300 . 1364 140 140 LEU CD1 C 24.359 0.300 . 1365 140 140 LEU CD2 C 25.447 0.300 . 1366 140 140 LEU N N 117.621 0.300 . 1367 141 141 SER H H 7.744 0.020 . 1368 141 141 SER HA H 3.994 0.020 . 1369 141 141 SER HB2 H 3.727 0.020 . 1370 141 141 SER HB3 H 3.727 0.020 . 1371 141 141 SER CA C 60.523 0.300 . 1372 141 141 SER CB C 63.648 0.300 . 1373 141 141 SER N N 114.982 0.300 . 1374 142 142 ASP H H 7.820 0.020 . 1375 142 142 ASP HA H 4.283 0.020 . 1376 142 142 ASP HB2 H 2.519 0.020 . 1377 142 142 ASP HB3 H 2.519 0.020 . 1378 142 142 ASP CA C 55.603 0.300 . 1379 142 142 ASP CB C 40.852 0.300 . 1380 142 142 ASP N N 121.913 0.300 . stop_ save_