data_25020 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of E55Q mutant of eRF1 N-domain ; _BMRB_accession_number 25020 _BMRB_flat_file_name bmr25020.str _Entry_type original _Submission_date 2014-06-13 _Accession_date 2014-06-13 _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" 788 "13C chemical shifts" 444 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-29 original BMRB . stop_ _Original_release_date 2015-06-29 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 'E55Q mutant of eRF1 N-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E55Q 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 15697.333 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADQFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NTSLYLCDNKFHTEALTALL 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 GLN 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 TYR 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 3.28e-98 BMRB 19506 eRF1 100.00 445 99.30 100.00 6.27e-95 BMRB 25016 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 6.53e-95 PDB 2LLX "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" 100.00 150 99.30 100.00 3.28e-98 PDB 2MQ6 "Solution Structure Of Y125f Mutant Of Erf1 N-domain" 100.00 142 98.59 100.00 2.84e-97 PDB 2MQ9 "Solution Structure Of E55q Mutant Of Erf1 N-domain" 100.00 142 100.00 100.00 1.83e-98 PDB 3E1Y "Crystal Structure Of Human Erf1ERF3 COMPLEX" 100.00 451 99.30 100.00 6.19e-95 PDB 3J5Y "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" 95.77 414 99.26 100.00 4.12e-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 1.47e-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 1.47e-91 DBJ BAA85489 "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" 100.00 437 99.30 100.00 6.53e-95 DBJ BAC33839 "unnamed protein product [Mus musculus]" 100.00 437 99.30 100.00 6.06e-95 DBJ BAE31210 "unnamed protein product [Mus musculus]" 64.79 387 98.91 100.00 1.70e-56 DBJ BAE31619 "unnamed protein product [Mus musculus]" 64.79 387 98.91 100.00 1.70e-56 DBJ BAE37589 "unnamed protein product [Mus musculus]" 100.00 437 99.30 100.00 6.53e-95 EMBL CAA37987 "suppressor [Xenopus laevis]" 100.00 437 99.30 100.00 6.26e-95 EMBL CAA57281 "C11 protein [Homo sapiens]" 100.00 437 99.30 100.00 6.53e-95 EMBL CAA57282 "C11 protein [Mesocricetus auratus]" 100.00 437 99.30 100.00 6.53e-95 EMBL CAA78620 "XLCL1 [Xenopus laevis]" 100.00 437 99.30 100.00 6.26e-95 EMBL CAF90786 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 443 99.30 100.00 1.07e-94 GB AAA36665 "TB3-1 [Homo sapiens]" 100.00 428 98.59 99.30 1.12e-93 GB AAB49726 "eukaryotic release factor 1 [Homo sapiens]" 100.00 437 99.30 100.00 6.53e-95 GB AAD43966 "eRF1 [Homo sapiens]" 100.00 437 99.30 100.00 6.53e-95 GB AAH13717 "Eukaryotic translation termination factor 1 [Mus musculus]" 100.00 437 98.59 99.30 8.11e-94 GB AAH14269 "ETF1 protein [Homo sapiens]" 76.76 404 99.08 100.00 2.78e-69 REF NP_001008345 "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" 100.00 437 99.30 100.00 6.53e-95 REF NP_001069722 "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 99.30 100.00 6.53e-95 REF NP_001076236 "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" 100.00 437 99.30 100.00 6.53e-95 REF NP_001084363 "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" 100.00 437 99.30 100.00 6.26e-95 REF NP_001126989 "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" 100.00 437 99.30 100.00 5.93e-95 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 6.26e-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 6.53e-95 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 6.53e-95 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 6.53e-95 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 7.52e-95 TPG DAA27419 "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 99.30 100.00 6.53e-95 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 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 6.5 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 HNCA' 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 'E55Q 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 8.091 0.020 . 2 3 3 ASP HA H 3.996 0.020 . 3 3 3 ASP HB2 H 2.501 0.020 . 4 3 3 ASP HB3 H 2.501 0.020 . 5 3 3 ASP CA C 53.528 0.300 . 6 3 3 ASP N N 119.181 0.300 . 7 4 4 ASP H H 7.845 0.020 . 8 4 4 ASP HA H 4.423 0.020 . 9 4 4 ASP HB2 H 2.527 0.020 . 10 4 4 ASP HB3 H 2.527 0.020 . 11 4 4 ASP CA C 55.781 0.300 . 12 4 4 ASP N N 122.108 0.300 . 13 5 5 PRO HA H 4.184 0.020 . 14 5 5 PRO HB2 H 2.045 0.020 . 15 5 5 PRO HB3 H 2.045 0.020 . 16 5 5 PRO HG2 H 1.742 0.020 . 17 5 5 PRO HG3 H 1.742 0.020 . 18 5 5 PRO HD2 H 3.480 0.020 . 19 5 5 PRO HD3 H 3.480 0.020 . 20 5 5 PRO CA C 63.685 0.300 . 21 5 5 PRO CB C 31.833 0.300 . 22 5 5 PRO CG C 26.856 0.300 . 23 6 6 SER H H 8.188 0.020 . 24 6 6 SER HA H 4.123 0.020 . 25 6 6 SER HB2 H 3.671 0.020 . 26 6 6 SER HB3 H 3.587 0.020 . 27 6 6 SER CA C 59.088 0.300 . 28 6 6 SER CB C 63.534 0.300 . 29 6 6 SER N N 115.787 0.300 . 30 7 7 ALA H H 7.638 0.020 . 31 7 7 ALA HA H 3.999 0.020 . 32 7 7 ALA HB H 1.181 0.020 . 33 7 7 ALA CA C 52.884 0.300 . 34 7 7 ALA CB C 18.694 0.300 . 35 7 7 ALA N N 125.621 0.300 . 36 8 8 ALA H H 7.787 0.020 . 37 8 8 ALA HA H 3.960 0.020 . 38 8 8 ALA HB H 1.116 0.020 . 39 8 8 ALA CA C 55.700 0.300 . 40 8 8 ALA CB C 18.411 0.300 . 41 8 8 ALA N N 122.103 0.300 . 42 9 9 ASP H H 7.922 0.020 . 43 9 9 ASP HA H 4.272 0.020 . 44 9 9 ASP HB2 H 2.355 0.020 . 45 9 9 ASP HB3 H 2.355 0.020 . 46 9 9 ASP CA C 54.387 0.300 . 47 9 9 ASP CB C 40.623 0.300 . 48 9 9 ASP N N 119.219 0.300 . 49 10 10 ARG H H 8.000 0.020 . 50 10 10 ARG HA H 3.998 0.020 . 51 10 10 ARG HB2 H 1.653 0.020 . 52 10 10 ARG HB3 H 1.653 0.020 . 53 10 10 ARG HG2 H 1.344 0.020 . 54 10 10 ARG HG3 H 1.289 0.020 . 55 10 10 ARG CA C 57.161 0.300 . 56 10 10 ARG CB C 29.881 0.300 . 57 10 10 ARG CG C 26.837 0.300 . 58 10 10 ARG N N 121.967 0.300 . 59 11 11 ASN H H 8.037 0.020 . 60 11 11 ASN HA H 4.261 0.020 . 61 11 11 ASN HB2 H 2.551 0.020 . 62 11 11 ASN HB3 H 2.370 0.020 . 63 11 11 ASN HD21 H 7.011 0.020 . 64 11 11 ASN HD22 H 7.517 0.020 . 65 11 11 ASN CA C 54.914 0.300 . 66 11 11 ASN CB C 37.793 0.300 . 67 11 11 ASN N N 117.836 0.300 . 68 11 11 ASN ND2 N 113.774 0.300 . 69 12 12 VAL H H 7.690 0.020 . 70 12 12 VAL HA H 3.950 0.020 . 71 12 12 VAL HB H 1.899 0.020 . 72 12 12 VAL HG1 H 0.679 0.020 . 73 12 12 VAL HG2 H 0.759 0.020 . 74 12 12 VAL CA C 65.406 0.300 . 75 12 12 VAL CB C 31.559 0.300 . 76 12 12 VAL CG1 C 20.934 0.300 . 77 12 12 VAL CG2 C 21.838 0.300 . 78 12 12 VAL N N 122.409 0.300 . 79 13 13 GLU H H 7.656 0.020 . 80 13 13 GLU HA H 4.258 0.020 . 81 13 13 GLU HB2 H 1.370 0.020 . 82 13 13 GLU HB3 H 1.370 0.020 . 83 13 13 GLU CA C 58.335 0.300 . 84 13 13 GLU CB C 29.406 0.300 . 85 13 13 GLU CG C 35.262 0.300 . 86 13 13 GLU N N 120.658 0.300 . 87 14 14 ILE H H 7.687 0.020 . 88 14 14 ILE HA H 3.169 0.020 . 89 14 14 ILE HB H 1.519 0.020 . 90 14 14 ILE HG12 H 1.205 0.020 . 91 14 14 ILE HG13 H 0.456 0.020 . 92 14 14 ILE HG2 H 0.453 0.020 . 93 14 14 ILE HD1 H 0.450 0.020 . 94 14 14 ILE CA C 65.039 0.300 . 95 14 14 ILE CB C 37.456 0.300 . 96 14 14 ILE CG1 C 29.508 0.300 . 97 14 14 ILE CG2 C 16.833 0.300 . 98 14 14 ILE CD1 C 13.041 0.300 . 99 14 14 ILE N N 120.771 0.300 . 100 15 15 TRP H H 7.692 0.020 . 101 15 15 TRP HA H 4.283 0.020 . 102 15 15 TRP HB2 H 3.146 0.020 . 103 15 15 TRP HB3 H 3.051 0.020 . 104 15 15 TRP HE1 H 9.893 0.020 . 105 15 15 TRP CA C 58.440 0.300 . 106 15 15 TRP CB C 28.405 0.300 . 107 15 15 TRP CD1 C 127.504 0.300 . 108 15 15 TRP CE3 C 121.085 0.300 . 109 15 15 TRP CZ2 C 114.873 0.300 . 110 15 15 TRP CZ3 C 122.203 0.300 . 111 15 15 TRP CH2 C 124.846 0.300 . 112 15 15 TRP N N 120.814 0.300 . 113 15 15 TRP NE1 N 129.683 0.300 . 114 16 16 LYS H H 7.852 0.020 . 115 16 16 LYS HA H 3.927 0.020 . 116 16 16 LYS HB2 H 1.696 0.020 . 117 16 16 LYS HB3 H 1.300 0.020 . 118 16 16 LYS HG2 H 1.135 0.020 . 119 16 16 LYS HG3 H 1.047 0.020 . 120 16 16 LYS HE2 H 2.432 0.020 . 121 16 16 LYS HE3 H 2.432 0.020 . 122 16 16 LYS CA C 59.316 0.300 . 123 16 16 LYS CB C 32.138 0.300 . 124 16 16 LYS CG C 25.288 0.300 . 125 16 16 LYS N N 119.482 0.300 . 126 17 17 ILE H H 7.485 0.020 . 127 17 17 ILE HA H 3.412 0.020 . 128 17 17 ILE HB H 1.690 0.020 . 129 17 17 ILE HG12 H 1.156 0.020 . 130 17 17 ILE HG13 H 1.156 0.020 . 131 17 17 ILE HG2 H 0.712 0.020 . 132 17 17 ILE HD1 H 0.619 0.020 . 133 17 17 ILE CA C 63.242 0.300 . 134 17 17 ILE CB C 36.526 0.300 . 135 17 17 ILE CG1 C 28.709 0.300 . 136 17 17 ILE CG2 C 18.426 0.300 . 137 17 17 ILE CD1 C 12.144 0.300 . 138 17 17 ILE N N 120.493 0.300 . 139 18 18 LYS H H 8.124 0.020 . 140 18 18 LYS HA H 3.538 0.020 . 141 18 18 LYS HB2 H 1.503 0.020 . 142 18 18 LYS HB3 H 1.462 0.020 . 143 18 18 LYS HG2 H 1.125 0.020 . 144 18 18 LYS HG3 H 1.125 0.020 . 145 18 18 LYS HD2 H 1.196 0.020 . 146 18 18 LYS HD3 H 1.196 0.020 . 147 18 18 LYS CA C 61.026 0.300 . 148 18 18 LYS CB C 32.082 0.300 . 149 18 18 LYS CG C 26.553 0.300 . 150 18 18 LYS CD C 29.340 0.300 . 151 18 18 LYS CE C 41.533 0.300 . 152 18 18 LYS N N 121.146 0.300 . 153 19 19 LYS H H 7.465 0.020 . 154 19 19 LYS HA H 3.523 0.020 . 155 19 19 LYS HB2 H 1.343 0.020 . 156 19 19 LYS HB3 H 1.300 0.020 . 157 19 19 LYS HG2 H 0.999 0.020 . 158 19 19 LYS HG3 H 0.904 0.020 . 159 19 19 LYS HD2 H 1.186 0.020 . 160 19 19 LYS HD3 H 1.186 0.020 . 161 19 19 LYS HE2 H 2.967 0.020 . 162 19 19 LYS HE3 H 2.967 0.020 . 163 19 19 LYS CA C 58.945 0.300 . 164 19 19 LYS CB C 31.841 0.300 . 165 19 19 LYS CG C 24.389 0.300 . 166 19 19 LYS CD C 29.063 0.300 . 167 19 19 LYS N N 119.139 0.300 . 168 20 20 LEU H H 7.434 0.020 . 169 20 20 LEU HA H 3.670 0.020 . 170 20 20 LEU HB2 H 1.425 0.020 . 171 20 20 LEU HB3 H 1.286 0.020 . 172 20 20 LEU HD2 H 0.732 0.020 . 173 20 20 LEU CA C 57.673 0.300 . 174 20 20 LEU CB C 41.492 0.300 . 175 20 20 LEU CG C 26.550 0.300 . 176 20 20 LEU CD1 C 23.377 0.300 . 177 20 20 LEU CD2 C 25.577 0.300 . 178 20 20 LEU N N 122.980 0.300 . 179 21 21 ILE H H 8.323 0.020 . 180 21 21 ILE HA H 2.351 0.020 . 181 21 21 ILE HB H 1.482 0.020 . 182 21 21 ILE HG12 H 1.604 0.020 . 183 21 21 ILE HG13 H 1.604 0.020 . 184 21 21 ILE HG2 H 0.536 0.020 . 185 21 21 ILE HD1 H 0.365 0.020 . 186 21 21 ILE CA C 66.488 0.300 . 187 21 21 ILE CB C 38.085 0.300 . 188 21 21 ILE CG1 C 29.956 0.300 . 189 21 21 ILE CG2 C 17.009 0.300 . 190 21 21 ILE CD1 C 14.375 0.300 . 191 21 21 ILE N N 119.637 0.300 . 192 22 22 LYS H H 7.219 0.020 . 193 22 22 LYS HA H 3.749 0.020 . 194 22 22 LYS HB2 H 1.574 0.020 . 195 22 22 LYS HB3 H 1.574 0.020 . 196 22 22 LYS HG2 H 1.209 0.020 . 197 22 22 LYS HG3 H 1.209 0.020 . 198 22 22 LYS CA C 58.793 0.300 . 199 22 22 LYS CB C 31.845 0.300 . 200 22 22 LYS CG C 25.024 0.300 . 201 22 22 LYS CE C 41.900 0.300 . 202 22 22 LYS N N 117.677 0.300 . 203 23 23 SER H H 7.612 0.020 . 204 23 23 SER HA H 4.055 0.020 . 205 23 23 SER HB2 H 3.598 0.020 . 206 23 23 SER HB3 H 3.598 0.020 . 207 23 23 SER CA C 61.139 0.300 . 208 23 23 SER CB C 61.186 0.300 . 209 23 23 SER N N 115.708 0.300 . 210 24 24 LEU H H 7.905 0.020 . 211 24 24 LEU HA H 4.091 0.020 . 212 24 24 LEU HG H 1.717 0.020 . 213 24 24 LEU HD1 H -0.219 0.020 . 214 24 24 LEU HD2 H -0.289 0.020 . 215 24 24 LEU CA C 56.540 0.300 . 216 24 24 LEU CB C 41.530 0.300 . 217 24 24 LEU CG C 25.670 0.300 . 218 24 24 LEU CD1 C 21.229 0.300 . 219 24 24 LEU CD2 C 25.728 0.300 . 220 24 24 LEU N N 121.115 0.300 . 221 25 25 GLU H H 8.141 0.020 . 222 25 25 GLU HA H 3.747 0.020 . 223 25 25 GLU HB2 H 1.824 0.020 . 224 25 25 GLU HB3 H 1.727 0.020 . 225 25 25 GLU HG2 H 2.084 0.020 . 226 25 25 GLU HG3 H 1.982 0.020 . 227 25 25 GLU CA C 58.627 0.300 . 228 25 25 GLU CB C 29.339 0.300 . 229 25 25 GLU CG C 36.192 0.300 . 230 25 25 GLU N N 119.849 0.300 . 231 26 26 ALA H H 7.011 0.020 . 232 26 26 ALA HA H 4.039 0.020 . 233 26 26 ALA HB H 1.183 0.020 . 234 26 26 ALA CA C 52.001 0.300 . 235 26 26 ALA CB C 19.015 0.300 . 236 26 26 ALA N N 118.587 0.300 . 237 27 27 ALA H H 6.778 0.020 . 238 27 27 ALA HA H 3.969 0.020 . 239 27 27 ALA HB H 1.198 0.020 . 240 27 27 ALA CA C 52.464 0.300 . 241 27 27 ALA CB C 19.150 0.300 . 242 27 27 ALA N N 121.392 0.300 . 243 28 28 ARG H H 8.729 0.020 . 244 28 28 ARG HA H 4.524 0.020 . 245 28 28 ARG HB2 H 1.552 0.020 . 246 28 28 ARG HB3 H 1.552 0.020 . 247 28 28 ARG HG2 H 1.221 0.020 . 248 28 28 ARG HG3 H 1.221 0.020 . 249 28 28 ARG HD2 H 3.088 0.020 . 250 28 28 ARG HD3 H 2.796 0.020 . 251 28 28 ARG CA C 54.087 0.300 . 252 28 28 ARG CB C 33.071 0.300 . 253 28 28 ARG CG C 26.217 0.300 . 254 28 28 ARG CD C 43.067 0.300 . 255 28 28 ARG N N 124.248 0.300 . 256 29 29 GLY H H 7.885 0.020 . 257 29 29 GLY HA2 H 4.196 0.020 . 258 29 29 GLY HA3 H 3.473 0.020 . 259 29 29 GLY CA C 44.430 0.300 . 260 29 29 GLY N N 109.074 0.300 . 261 30 30 ASN H H 8.324 0.020 . 262 30 30 ASN HA H 4.517 0.020 . 263 30 30 ASN HB2 H 2.398 0.020 . 264 30 30 ASN HB3 H 2.283 0.020 . 265 30 30 ASN HD22 H 7.243 0.020 . 266 30 30 ASN CA C 51.800 0.300 . 267 30 30 ASN CB C 38.087 0.300 . 268 30 30 ASN N N 119.621 0.300 . 269 30 30 ASN ND2 N 112.736 0.300 . 270 31 31 GLY H H 7.973 0.020 . 271 31 31 GLY HA2 H 3.759 0.020 . 272 31 31 GLY HA3 H 3.581 0.020 . 273 31 31 GLY CA C 45.170 0.300 . 274 31 31 GLY N N 110.519 0.300 . 275 32 32 THR H H 7.832 0.020 . 276 32 32 THR HA H 4.571 0.020 . 277 32 32 THR HB H 3.906 0.020 . 278 32 32 THR HG1 H 4.683 0.020 . 279 32 32 THR HG2 H 0.630 0.020 . 280 32 32 THR CA C 59.756 0.300 . 281 32 32 THR CG2 C 21.509 0.300 . 282 32 32 THR N N 113.543 0.300 . 283 33 33 SER H H 7.540 0.020 . 284 33 33 SER HA H 3.947 0.020 . 285 33 33 SER HB2 H 3.741 0.020 . 286 33 33 SER HB3 H 3.412 0.020 . 287 33 33 SER CA C 57.898 0.300 . 288 33 33 SER CB C 64.394 0.300 . 289 33 33 SER N N 115.324 0.300 . 290 34 34 MET H H 8.449 0.020 . 291 34 34 MET HA H 4.618 0.020 . 292 34 34 MET HB2 H 0.945 0.020 . 293 34 34 MET HB3 H 1.223 0.020 . 294 34 34 MET HG2 H 1.542 0.020 . 295 34 34 MET HG3 H 1.522 0.020 . 296 34 34 MET HE H 0.712 0.020 . 297 34 34 MET CA C 54.772 0.300 . 298 34 34 MET CB C 34.339 0.300 . 299 34 34 MET CG C 31.148 0.300 . 300 34 34 MET CE C 17.441 0.300 . 301 34 34 MET N N 121.290 0.300 . 302 35 35 ILE H H 9.446 0.020 . 303 35 35 ILE HA H 4.618 0.020 . 304 35 35 ILE HB H 1.616 0.020 . 305 35 35 ILE HG12 H 1.565 0.020 . 306 35 35 ILE HG13 H 0.945 0.020 . 307 35 35 ILE HG2 H 0.659 0.020 . 308 35 35 ILE HD1 H 0.686 0.020 . 309 35 35 ILE CA C 60.806 0.300 . 310 35 35 ILE CB C 39.958 0.300 . 311 35 35 ILE CG1 C 28.390 0.300 . 312 35 35 ILE CG2 C 17.765 0.300 . 313 35 35 ILE CD1 C 13.709 0.300 . 314 35 35 ILE N N 126.810 0.300 . 315 36 36 SER H H 8.549 0.020 . 316 36 36 SER HA H 3.676 0.020 . 317 36 36 SER HB2 H 1.865 0.020 . 318 36 36 SER HB3 H 1.865 0.020 . 319 36 36 SER CA C 57.774 0.300 . 320 36 36 SER CB C 63.000 0.300 . 321 36 36 SER N N 122.833 0.300 . 322 37 37 LEU H H 8.542 0.020 . 323 37 37 LEU HA H 5.120 0.020 . 324 37 37 LEU HB2 H 1.581 0.020 . 325 37 37 LEU HB3 H 0.846 0.020 . 326 37 37 LEU HG H 0.991 0.020 . 327 37 37 LEU HD1 H 0.608 0.020 . 328 37 37 LEU HD2 H 0.400 0.020 . 329 37 37 LEU CA C 53.356 0.300 . 330 37 37 LEU CB C 45.207 0.300 . 331 37 37 LEU CG C 27.218 0.300 . 332 37 37 LEU CD1 C 24.000 0.300 . 333 37 37 LEU CD2 C 27.142 0.300 . 334 37 37 LEU N N 128.137 0.300 . 335 38 38 ILE H H 8.947 0.020 . 336 38 38 ILE HA H 4.377 0.020 . 337 38 38 ILE HB H 1.356 0.020 . 338 38 38 ILE HG12 H 1.125 0.020 . 339 38 38 ILE HG13 H 1.125 0.020 . 340 38 38 ILE HG2 H 0.423 0.020 . 341 38 38 ILE HD1 H 0.476 0.020 . 342 38 38 ILE CA C 60.623 0.300 . 343 38 38 ILE CB C 39.645 0.300 . 344 38 38 ILE CG1 C 27.233 0.300 . 345 38 38 ILE CG2 C 17.545 0.300 . 346 38 38 ILE CD1 C 13.064 0.300 . 347 38 38 ILE N N 126.543 0.300 . 348 39 39 ILE H H 8.988 0.020 . 349 39 39 ILE HA H 4.308 0.020 . 350 39 39 ILE HB H 1.564 0.020 . 351 39 39 ILE HG12 H 1.142 0.020 . 352 39 39 ILE HG13 H 1.142 0.020 . 353 39 39 ILE HG2 H 0.682 0.020 . 354 39 39 ILE HD1 H 0.439 0.020 . 355 39 39 ILE CA C 57.415 0.300 . 356 39 39 ILE CB C 40.250 0.300 . 357 39 39 ILE CG1 C 25.759 0.300 . 358 39 39 ILE CG2 C 18.037 0.300 . 359 39 39 ILE CD1 C 14.622 0.300 . 360 39 39 ILE N N 129.738 0.300 . 361 40 40 PRO HA H 4.656 0.020 . 362 40 40 PRO HB2 H 1.849 0.020 . 363 40 40 PRO HB3 H 1.849 0.020 . 364 40 40 PRO HG2 H 1.513 0.020 . 365 40 40 PRO HG3 H 1.513 0.020 . 366 40 40 PRO HD2 H 3.413 0.020 . 367 40 40 PRO HD3 H 3.413 0.020 . 368 40 40 PRO CB C 30.862 0.300 . 369 40 40 PRO CG C 27.675 0.300 . 370 41 41 PRO HA H 4.727 0.020 . 371 41 41 PRO HB2 H 2.226 0.020 . 372 41 41 PRO HB3 H 2.226 0.020 . 373 41 41 PRO HG2 H 1.520 0.020 . 374 41 41 PRO HG3 H 1.520 0.020 . 375 41 41 PRO HD2 H 3.718 0.020 . 376 41 41 PRO HD3 H 3.718 0.020 . 377 41 41 PRO CA C 64.090 0.300 . 378 41 41 PRO CB C 32.143 0.300 . 379 41 41 PRO CG C 27.485 0.300 . 380 42 42 LYS H H 7.904 0.020 . 381 42 42 LYS HA H 3.802 0.020 . 382 42 42 LYS HB2 H 1.652 0.020 . 383 42 42 LYS HB3 H 1.652 0.020 . 384 42 42 LYS HG2 H 1.094 0.020 . 385 42 42 LYS HG3 H 1.094 0.020 . 386 42 42 LYS HD2 H 1.427 0.020 . 387 42 42 LYS HD3 H 1.427 0.020 . 388 42 42 LYS HE2 H 2.735 0.020 . 389 42 42 LYS HE3 H 2.735 0.020 . 390 42 42 LYS CA C 56.833 0.300 . 391 42 42 LYS CB C 30.174 0.300 . 392 42 42 LYS CG C 24.988 0.300 . 393 42 42 LYS CD C 28.782 0.300 . 394 42 42 LYS N N 113.327 0.300 . 395 43 43 ASP H H 7.205 0.020 . 396 43 43 ASP HA H 4.394 0.020 . 397 43 43 ASP HB2 H 2.357 0.020 . 398 43 43 ASP HB3 H 2.284 0.020 . 399 43 43 ASP CA C 52.728 0.300 . 400 43 43 ASP CB C 42.112 0.300 . 401 43 43 ASP N N 121.445 0.300 . 402 44 44 GLN H H 9.144 0.020 . 403 44 44 GLN HA H 4.306 0.020 . 404 44 44 GLN HB2 H 1.929 0.020 . 405 44 44 GLN HB3 H 1.580 0.020 . 406 44 44 GLN HG2 H 2.162 0.020 . 407 44 44 GLN HG3 H 2.162 0.020 . 408 44 44 GLN HE22 H 7.181 0.020 . 409 44 44 GLN CA C 53.874 0.300 . 410 44 44 GLN CB C 31.503 0.300 . 411 44 44 GLN CG C 33.388 0.300 . 412 44 44 GLN N N 117.453 0.300 . 413 44 44 GLN NE2 N 113.366 0.300 . 414 45 45 ILE H H 8.665 0.020 . 415 45 45 ILE HA H 3.249 0.020 . 416 45 45 ILE HB H 1.619 0.020 . 417 45 45 ILE HG12 H 1.054 0.020 . 418 45 45 ILE HG13 H 1.054 0.020 . 419 45 45 ILE HG2 H 0.616 0.020 . 420 45 45 ILE HD1 H 0.356 0.020 . 421 45 45 ILE CA C 63.394 0.300 . 422 45 45 ILE CB C 36.128 0.300 . 423 45 45 ILE CG1 C 27.473 0.300 . 424 45 45 ILE CG2 C 16.832 0.300 . 425 45 45 ILE CD1 C 10.833 0.300 . 426 45 45 ILE N N 126.951 0.300 . 427 46 46 SER H H 8.351 0.020 . 428 46 46 SER HA H 3.850 0.020 . 429 46 46 SER HB2 H 3.651 0.020 . 430 46 46 SER HB3 H 3.651 0.020 . 431 46 46 SER CA C 60.677 0.300 . 432 46 46 SER CB C 61.589 0.300 . 433 46 46 SER N N 113.533 0.300 . 434 47 47 ARG H H 6.708 0.020 . 435 47 47 ARG HA H 3.793 0.020 . 436 47 47 ARG HB2 H 1.859 0.020 . 437 47 47 ARG HB3 H 1.701 0.020 . 438 47 47 ARG HG2 H 1.478 0.020 . 439 47 47 ARG HG3 H 1.478 0.020 . 440 47 47 ARG HD2 H 3.164 0.020 . 441 47 47 ARG HD3 H 3.164 0.020 . 442 47 47 ARG CA C 59.815 0.300 . 443 47 47 ARG CB C 29.957 0.300 . 444 47 47 ARG CG C 26.707 0.300 . 445 47 47 ARG N N 124.278 0.300 . 446 48 48 VAL H H 7.181 0.020 . 447 48 48 VAL HA H 3.157 0.020 . 448 48 48 VAL HB H 1.794 0.020 . 449 48 48 VAL HG1 H 0.745 0.020 . 450 48 48 VAL HG2 H 0.574 0.020 . 451 48 48 VAL CA C 66.169 0.300 . 452 48 48 VAL CB C 31.486 0.300 . 453 48 48 VAL CG1 C 21.829 0.300 . 454 48 48 VAL CG2 C 22.188 0.300 . 455 48 48 VAL N N 122.069 0.300 . 456 49 49 ALA H H 8.645 0.020 . 457 49 49 ALA HA H 3.912 0.020 . 458 49 49 ALA HB H 1.146 0.020 . 459 49 49 ALA CA C 55.340 0.300 . 460 49 49 ALA CB C 17.744 0.300 . 461 49 49 ALA N N 121.917 0.300 . 462 50 50 LYS H H 7.308 0.020 . 463 50 50 LYS HA H 3.798 0.020 . 464 50 50 LYS HB2 H 1.661 0.020 . 465 50 50 LYS HB3 H 1.661 0.020 . 466 50 50 LYS HG2 H 1.218 0.020 . 467 50 50 LYS HG3 H 1.164 0.020 . 468 50 50 LYS HD2 H 1.263 0.020 . 469 50 50 LYS HD3 H 1.263 0.020 . 470 50 50 LYS HE2 H 2.458 0.020 . 471 50 50 LYS HE3 H 2.458 0.020 . 472 50 50 LYS CA C 58.945 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 120.365 0.300 . 477 51 51 MET H H 7.530 0.020 . 478 51 51 MET HA H 3.851 0.020 . 479 51 51 MET HB2 H 2.017 0.020 . 480 51 51 MET HB3 H 1.795 0.020 . 481 51 51 MET HG2 H 2.221 0.020 . 482 51 51 MET HG3 H 2.221 0.020 . 483 51 51 MET HE H 1.343 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 121.881 0.300 . 489 52 52 LEU H H 8.182 0.020 . 490 52 52 LEU HA H 3.529 0.020 . 491 52 52 LEU HB2 H 1.622 0.020 . 492 52 52 LEU HB3 H 1.056 0.020 . 493 52 52 LEU HG H 1.452 0.020 . 494 52 52 LEU HD1 H 0.610 0.020 . 495 52 52 LEU HD2 H 0.483 0.020 . 496 52 52 LEU CA C 57.598 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 120.456 0.300 . 502 53 53 ALA H H 7.660 0.020 . 503 53 53 ALA HA H 3.880 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 123.141 0.300 . 508 54 54 ASP H H 8.104 0.020 . 509 54 54 ASP HA H 4.257 0.020 . 510 54 54 ASP HB2 H 2.745 0.020 . 511 54 54 ASP HB3 H 2.452 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 122.138 0.300 . 515 55 55 GLN H H 8.044 0.020 . 516 55 55 GLN HA H 3.755 0.020 . 517 55 55 GLN HB2 H 2.005 0.020 . 518 55 55 GLN HB3 H 1.918 0.020 . 519 55 55 GLN HG2 H 2.360 0.020 . 520 55 55 GLN HG3 H 1.781 0.020 . 521 55 55 GLN CA C 57.805 0.300 . 522 55 55 GLN CB C 28.714 0.300 . 523 55 55 GLN CG C 36.188 0.300 . 524 55 55 GLN N N 120.528 0.300 . 525 56 56 PHE H H 8.549 0.020 . 526 56 56 PHE HA H 3.705 0.020 . 527 56 56 PHE HB2 H 3.217 0.020 . 528 56 56 PHE HB3 H 2.875 0.020 . 529 56 56 PHE HD2 H 6.891 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 61.639 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 123.245 0.300 . 538 57 57 GLY H H 7.871 0.020 . 539 57 57 GLY HA2 H 3.802 0.020 . 540 57 57 GLY HA3 H 3.714 0.020 . 541 57 57 GLY CA C 47.057 0.300 . 542 57 57 GLY N N 106.799 0.300 . 543 58 58 THR H H 7.916 0.020 . 544 58 58 THR HA H 3.987 0.020 . 545 58 58 THR HB H 3.944 0.020 . 546 58 58 THR HG2 H 1.114 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 118.648 0.300 . 550 59 59 ALA H H 8.199 0.020 . 551 59 59 ALA HA H 3.891 0.020 . 552 59 59 ALA HB H 0.989 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 126.374 0.300 . 556 60 60 SER H H 7.377 0.020 . 557 60 60 SER HA H 3.698 0.020 . 558 60 60 SER HB2 H 3.752 0.020 . 559 60 60 SER HB3 H 3.622 0.020 . 560 60 60 SER CA C 61.196 0.300 . 561 60 60 SER CB C 63.000 0.300 . 562 60 60 SER N N 112.301 0.300 . 563 61 61 ASN H H 7.269 0.020 . 564 61 61 ASN HA H 4.470 0.020 . 565 61 61 ASN HB2 H 2.672 0.020 . 566 61 61 ASN HB3 H 2.563 0.020 . 567 61 61 ASN HD21 H 6.865 0.020 . 568 61 61 ASN HD22 H 7.268 0.020 . 569 61 61 ASN CA C 53.081 0.300 . 570 61 61 ASN CB C 39.012 0.300 . 571 61 61 ASN N N 116.986 0.300 . 572 61 61 ASN ND2 N 114.661 0.300 . 573 62 62 ILE H H 7.353 0.020 . 574 62 62 ILE HA H 3.611 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 123.823 0.300 . 586 63 63 LYS H H 8.298 0.020 . 587 63 63 LYS HA H 3.571 0.020 . 588 63 63 LYS HB2 H 1.572 0.020 . 589 63 63 LYS HB3 H 1.572 0.020 . 590 63 63 LYS HG2 H 1.319 0.020 . 591 63 63 LYS HG3 H 1.198 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 CA C 58.746 0.300 . 595 63 63 LYS CB C 32.376 0.300 . 596 63 63 LYS CG C 24.897 0.300 . 597 63 63 LYS CD C 28.664 0.300 . 598 63 63 LYS N N 128.921 0.300 . 599 64 64 SER H H 7.493 0.020 . 600 64 64 SER HA H 4.548 0.020 . 601 64 64 SER HB2 H 4.232 0.020 . 602 64 64 SER HB3 H 3.742 0.020 . 603 64 64 SER CA C 56.805 0.300 . 604 64 64 SER CB C 65.460 0.300 . 605 64 64 SER N N 114.291 0.300 . 606 65 65 ARG H H 8.572 0.020 . 607 65 65 ARG HA H 3.644 0.020 . 608 65 65 ARG HB3 H 1.588 0.020 . 609 65 65 ARG HG2 H 1.360 0.020 . 610 65 65 ARG HG3 H 1.289 0.020 . 611 65 65 ARG HD2 H 3.043 0.020 . 612 65 65 ARG HD3 H 3.043 0.020 . 613 65 65 ARG CA C 59.983 0.300 . 614 65 65 ARG CB C 29.958 0.300 . 615 65 65 ARG CG C 27.445 0.300 . 616 65 65 ARG N N 131.672 0.300 . 617 66 66 VAL H H 7.823 0.020 . 618 66 66 VAL HA H 3.483 0.020 . 619 66 66 VAL HB H 1.649 0.020 . 620 66 66 VAL HG1 H 0.729 0.020 . 621 66 66 VAL HG2 H 0.634 0.020 . 622 66 66 VAL CA C 65.377 0.300 . 623 66 66 VAL CB C 31.527 0.300 . 624 66 66 VAL CG1 C 21.545 0.300 . 625 66 66 VAL CG2 C 20.254 0.300 . 626 66 66 VAL N N 116.766 0.300 . 627 67 67 ASN H H 7.283 0.020 . 628 67 67 ASN HA H 4.311 0.020 . 629 67 67 ASN HB2 H 2.545 0.020 . 630 67 67 ASN HB3 H 2.422 0.020 . 631 67 67 ASN HD22 H 7.324 0.020 . 632 67 67 ASN CA C 55.451 0.300 . 633 67 67 ASN CB C 38.064 0.300 . 634 67 67 ASN N N 119.541 0.300 . 635 67 67 ASN ND2 N 111.693 0.300 . 636 68 68 ARG H H 8.415 0.020 . 637 68 68 ARG HA H 3.548 0.020 . 638 68 68 ARG HB2 H 1.615 0.020 . 639 68 68 ARG HB3 H 1.615 0.020 . 640 68 68 ARG HG2 H 1.116 0.020 . 641 68 68 ARG HG3 H 1.116 0.020 . 642 68 68 ARG CA C 59.925 0.300 . 643 68 68 ARG CB C 30.559 0.300 . 644 68 68 ARG CG C 26.840 0.300 . 645 68 68 ARG N N 122.027 0.300 . 646 69 69 LEU H H 8.029 0.020 . 647 69 69 LEU HA H 3.664 0.020 . 648 69 69 LEU HB2 H 1.581 0.020 . 649 69 69 LEU HB3 H 1.364 0.020 . 650 69 69 LEU HG H 1.610 0.020 . 651 69 69 LEU HD1 H 0.609 0.020 . 652 69 69 LEU HD2 H 0.633 0.020 . 653 69 69 LEU CA C 57.961 0.300 . 654 69 69 LEU CB C 40.767 0.300 . 655 69 69 LEU CG C 27.105 0.300 . 656 69 69 LEU CD1 C 22.483 0.300 . 657 69 69 LEU CD2 C 24.656 0.300 . 658 69 69 LEU N N 116.623 0.300 . 659 70 70 SER H H 7.527 0.020 . 660 70 70 SER HA H 4.002 0.020 . 661 70 70 SER HB2 H 3.809 0.020 . 662 70 70 SER HB3 H 3.665 0.020 . 663 70 70 SER CA C 61.600 0.300 . 664 70 70 SER CB C 62.858 0.300 . 665 70 70 SER N N 116.631 0.300 . 666 71 71 VAL H H 7.897 0.020 . 667 71 71 VAL HA H 3.529 0.020 . 668 71 71 VAL HB H 1.735 0.020 . 669 71 71 VAL HG1 H 0.778 0.020 . 670 71 71 VAL HG2 H 0.659 0.020 . 671 71 71 VAL CA C 66.781 0.300 . 672 71 71 VAL CB C 31.803 0.300 . 673 71 71 VAL CG1 C 23.006 0.300 . 674 71 71 VAL CG2 C 21.769 0.300 . 675 71 71 VAL N N 124.538 0.300 . 676 72 72 LEU H H 8.266 0.020 . 677 72 72 LEU HA H 3.631 0.020 . 678 72 72 LEU HB2 H 1.381 0.020 . 679 72 72 LEU HB3 H 1.268 0.020 . 680 72 72 LEU HG H 1.456 0.020 . 681 72 72 LEU HD1 H 0.346 0.020 . 682 72 72 LEU HD2 H -0.198 0.020 . 683 72 72 LEU CA C 58.259 0.300 . 684 72 72 LEU CB C 40.315 0.300 . 685 72 72 LEU CG C 25.600 0.300 . 686 72 72 LEU CD1 C 25.715 0.300 . 687 72 72 LEU CD2 C 22.158 0.300 . 688 72 72 LEU N N 118.498 0.300 . 689 73 73 GLY H H 7.932 0.020 . 690 73 73 GLY HA2 H 3.735 0.020 . 691 73 73 GLY HA3 H 3.628 0.020 . 692 73 73 GLY CA C 47.057 0.300 . 693 73 73 GLY N N 106.601 0.300 . 694 74 74 ALA H H 7.622 0.020 . 695 74 74 ALA HA H 4.070 0.020 . 696 74 74 ALA HB H 1.319 0.020 . 697 74 74 ALA CA C 55.379 0.300 . 698 74 74 ALA CB C 17.773 0.300 . 699 74 74 ALA N N 127.256 0.300 . 700 75 75 ILE H H 8.528 0.020 . 701 75 75 ILE HA H 4.155 0.020 . 702 75 75 ILE HB H 1.661 0.020 . 703 75 75 ILE HG12 H 1.814 0.020 . 704 75 75 ILE HG13 H 0.794 0.020 . 705 75 75 ILE HD1 H 0.576 0.020 . 706 75 75 ILE CA C 66.797 0.300 . 707 75 75 ILE CB C 38.411 0.300 . 708 75 75 ILE CG1 C 29.308 0.300 . 709 75 75 ILE CG2 C 18.060 0.300 . 710 75 75 ILE CD1 C 14.340 0.300 . 711 75 75 ILE N N 119.402 0.300 . 712 76 76 THR H H 8.189 0.020 . 713 76 76 THR HA H 4.117 0.020 . 714 76 76 THR HB H 4.068 0.020 . 715 76 76 THR HG1 H 4.594 0.020 . 716 76 76 THR HG2 H 1.036 0.020 . 717 76 76 THR CA C 66.462 0.300 . 718 76 76 THR CG2 C 21.212 0.300 . 719 76 76 THR N N 115.787 0.300 . 720 77 77 SER H H 7.692 0.020 . 721 77 77 SER HA H 3.947 0.020 . 722 77 77 SER HB2 H 3.823 0.020 . 723 77 77 SER HB3 H 3.823 0.020 . 724 77 77 SER HG H 4.536 0.020 . 725 77 77 SER CA C 62.366 0.300 . 726 77 77 SER CB C 62.758 0.300 . 727 77 77 SER N N 118.438 0.300 . 728 78 78 VAL H H 8.032 0.020 . 729 78 78 VAL HA H 3.438 0.020 . 730 78 78 VAL HB H 2.037 0.020 . 731 78 78 VAL HG1 H 0.883 0.020 . 732 78 78 VAL HG2 H 0.666 0.020 . 733 78 78 VAL CA C 66.951 0.300 . 734 78 78 VAL CB C 31.000 0.300 . 735 78 78 VAL CG1 C 23.869 0.300 . 736 78 78 VAL CG2 C 23.388 0.300 . 737 78 78 VAL N N 124.128 0.300 . 738 79 79 GLN H H 8.563 0.020 . 739 79 79 GLN HA H 3.723 0.020 . 740 79 79 GLN HB2 H 2.177 0.020 . 741 79 79 GLN HB3 H 1.655 0.020 . 742 79 79 GLN HG2 H 2.201 0.020 . 743 79 79 GLN HG3 H 2.084 0.020 . 744 79 79 GLN CA C 59.396 0.300 . 745 79 79 GLN CB C 29.042 0.300 . 746 79 79 GLN CG C 34.009 0.300 . 747 79 79 GLN N N 119.563 0.300 . 748 79 79 GLN NE2 N 109.617 0.300 . 749 80 80 GLN H H 7.771 0.020 . 750 80 80 GLN HA H 3.702 0.020 . 751 80 80 GLN HB2 H 1.872 0.020 . 752 80 80 GLN HB3 H 1.950 0.020 . 753 80 80 GLN HG2 H 2.314 0.020 . 754 80 80 GLN HG3 H 2.206 0.020 . 755 80 80 GLN HE22 H 7.133 0.020 . 756 80 80 GLN CA C 58.442 0.300 . 757 80 80 GLN CB C 28.022 0.300 . 758 80 80 GLN CG C 33.666 0.300 . 759 80 80 GLN N N 116.756 0.300 . 760 80 80 GLN NE2 N 112.634 0.300 . 761 81 81 ARG H H 7.421 0.020 . 762 81 81 ARG HA H 3.901 0.020 . 763 81 81 ARG HB2 H 1.769 0.020 . 764 81 81 ARG HB3 H 1.666 0.020 . 765 81 81 ARG HG2 H 1.706 0.020 . 766 81 81 ARG HG3 H 1.373 0.020 . 767 81 81 ARG HD2 H 2.916 0.020 . 768 81 81 ARG HD3 H 2.916 0.020 . 769 81 81 ARG CA C 56.546 0.300 . 770 81 81 ARG CB C 28.390 0.300 . 771 81 81 ARG CG C 24.888 0.300 . 772 81 81 ARG N N 118.991 0.300 . 773 82 82 LEU H H 8.042 0.020 . 774 82 82 LEU HA H 3.777 0.020 . 775 82 82 LEU HB2 H 1.453 0.020 . 776 82 82 LEU HB3 H 1.245 0.020 . 777 82 82 LEU HG H 1.551 0.020 . 778 82 82 LEU HD1 H 0.438 0.020 . 779 82 82 LEU HD2 H 0.492 0.020 . 780 82 82 LEU CA C 57.493 0.300 . 781 82 82 LEU CB C 40.903 0.300 . 782 82 82 LEU CG C 26.219 0.300 . 783 82 82 LEU CD1 C 22.756 0.300 . 784 82 82 LEU CD2 C 25.269 0.300 . 785 82 82 LEU N N 117.296 0.300 . 786 83 83 LYS H H 6.973 0.020 . 787 83 83 LYS HA H 3.839 0.020 . 788 83 83 LYS HB2 H 1.592 0.020 . 789 83 83 LYS HB3 H 1.592 0.020 . 790 83 83 LYS HG2 H 1.354 0.020 . 791 83 83 LYS HG3 H 1.223 0.020 . 792 83 83 LYS HE2 H 2.491 0.020 . 793 83 83 LYS HE3 H 2.491 0.020 . 794 83 83 LYS CA C 57.704 0.300 . 795 83 83 LYS CB C 32.111 0.300 . 796 83 83 LYS CG C 24.941 0.300 . 797 83 83 LYS N N 115.000 0.300 . 798 84 84 LEU H H 7.166 0.020 . 799 84 84 LEU HA H 3.815 0.020 . 800 84 84 LEU HB2 H 1.490 0.020 . 801 84 84 LEU HB3 H 0.993 0.020 . 802 84 84 LEU HG H 1.468 0.020 . 803 84 84 LEU HD1 H 0.647 0.020 . 804 84 84 LEU HD2 H 0.544 0.020 . 805 84 84 LEU CA C 55.389 0.300 . 806 84 84 LEU CB C 40.608 0.300 . 807 84 84 LEU CG C 26.531 0.300 . 808 84 84 LEU CD1 C 24.949 0.300 . 809 84 84 LEU CD2 C 22.008 0.300 . 810 84 84 LEU N N 117.635 0.300 . 811 85 85 TYR H H 7.547 0.020 . 812 85 85 TYR HA H 4.210 0.020 . 813 85 85 TYR HB2 H 2.549 0.020 . 814 85 85 TYR HB3 H 2.549 0.020 . 815 85 85 TYR HD1 H 6.916 0.020 . 816 85 85 TYR CA C 57.836 0.300 . 817 85 85 TYR CB C 39.633 0.300 . 818 85 85 TYR CD1 C 133.532 0.300 . 819 85 85 TYR CE1 C 118.052 0.300 . 820 85 85 TYR N N 119.514 0.300 . 821 86 86 ASN H H 8.528 0.020 . 822 86 86 ASN HA H 4.480 0.020 . 823 86 86 ASN HB2 H 2.569 0.020 . 824 86 86 ASN HB3 H 2.569 0.020 . 825 86 86 ASN HD22 H 7.372 0.020 . 826 86 86 ASN CA C 53.671 0.300 . 827 86 86 ASN CB C 38.740 0.300 . 828 86 86 ASN N N 119.323 0.300 . 829 86 86 ASN ND2 N 113.463 0.300 . 830 87 87 LYS H H 7.532 0.020 . 831 87 87 LYS HA H 4.424 0.020 . 832 87 87 LYS HB2 H 1.621 0.020 . 833 87 87 LYS HB3 H 1.451 0.020 . 834 87 87 LYS HG2 H 1.136 0.020 . 835 87 87 LYS HG3 H 0.954 0.020 . 836 87 87 LYS CA C 54.235 0.300 . 837 87 87 LYS CB C 34.673 0.300 . 838 87 87 LYS CG C 23.102 0.300 . 839 87 87 LYS N N 116.166 0.300 . 840 88 88 VAL H H 8.252 0.020 . 841 88 88 VAL HA H 3.523 0.020 . 842 88 88 VAL HB H 1.591 0.020 . 843 88 88 VAL HG1 H 0.695 0.020 . 844 88 88 VAL HG2 H 0.440 0.020 . 845 88 88 VAL CA C 61.976 0.300 . 846 88 88 VAL CB C 32.351 0.300 . 847 88 88 VAL CG1 C 20.849 0.300 . 848 88 88 VAL CG2 C 23.444 0.300 . 849 88 88 VAL N N 125.110 0.300 . 850 89 89 PRO HA H 4.408 0.020 . 851 89 89 PRO HB2 H 2.212 0.020 . 852 89 89 PRO HB3 H 2.212 0.020 . 853 89 89 PRO HG2 H 1.716 0.020 . 854 89 89 PRO HG3 H 1.716 0.020 . 855 89 89 PRO HD2 H 3.602 0.020 . 856 89 89 PRO HD3 H 3.602 0.020 . 857 89 89 PRO CB C 29.924 0.300 . 858 89 89 PRO CG C 27.757 0.300 . 859 90 90 PRO HA H 4.386 0.020 . 860 90 90 PRO HB2 H 2.204 0.020 . 861 90 90 PRO HB3 H 2.204 0.020 . 862 90 90 PRO HG2 H 1.858 0.020 . 863 90 90 PRO HG3 H 1.858 0.020 . 864 90 90 PRO HD2 H 3.603 0.020 . 865 90 90 PRO HD3 H 3.603 0.020 . 866 90 90 PRO CA C 65.949 0.300 . 867 90 90 PRO CB C 29.635 0.300 . 868 90 90 PRO CG C 27.767 0.300 . 869 91 91 ASN H H 8.994 0.020 . 870 91 91 ASN HA H 4.507 0.020 . 871 91 91 ASN HB2 H 2.836 0.020 . 872 91 91 ASN HB3 H 2.429 0.020 . 873 91 91 ASN HD21 H 5.884 0.020 . 874 91 91 ASN HD22 H 5.884 0.020 . 875 91 91 ASN CA C 52.082 0.300 . 876 91 91 ASN CB C 37.168 0.300 . 877 91 91 ASN N N 112.597 0.300 . 878 91 91 ASN ND2 N 107.349 0.300 . 879 92 92 GLY H H 7.707 0.020 . 880 92 92 GLY HA2 H 4.233 0.020 . 881 92 92 GLY HA3 H 2.842 0.020 . 882 92 92 GLY CA C 43.010 0.300 . 883 92 92 GLY N N 108.681 0.300 . 884 93 93 LEU H H 8.460 0.020 . 885 93 93 LEU HA H 4.274 0.020 . 886 93 93 LEU HB2 H 1.106 0.020 . 887 93 93 LEU HB3 H 0.447 0.020 . 888 93 93 LEU HG H 0.628 0.020 . 889 93 93 LEU HD1 H 0.106 0.020 . 890 93 93 LEU HD2 H 0.341 0.020 . 891 93 93 LEU CA C 53.811 0.300 . 892 93 93 LEU CB C 47.421 0.300 . 893 93 93 LEU CG C 26.499 0.300 . 894 93 93 LEU CD1 C 24.353 0.300 . 895 93 93 LEU CD2 C 22.426 0.300 . 896 93 93 LEU N N 117.295 0.300 . 897 94 94 VAL H H 7.963 0.020 . 898 94 94 VAL HA H 4.232 0.020 . 899 94 94 VAL HB H 0.340 0.020 . 900 94 94 VAL HG1 H 0.042 0.020 . 901 94 94 VAL HG2 H 0.142 0.020 . 902 94 94 VAL CA C 60.487 0.300 . 903 94 94 VAL CB C 32.168 0.300 . 904 94 94 VAL CG1 C 22.813 0.300 . 905 94 94 VAL CG2 C 20.825 0.300 . 906 94 94 VAL N N 126.280 0.300 . 907 95 95 VAL H H 8.439 0.020 . 908 95 95 VAL HA H 4.377 0.020 . 909 95 95 VAL HB H 1.487 0.020 . 910 95 95 VAL HG1 H 0.507 0.020 . 911 95 95 VAL HG2 H 0.467 0.020 . 912 95 95 VAL CA C 60.199 0.300 . 913 95 95 VAL CB C 35.248 0.300 . 914 95 95 VAL CG1 C 22.417 0.300 . 915 95 95 VAL CG2 C 20.275 0.300 . 916 95 95 VAL N N 125.189 0.300 . 917 96 96 TYR H H 8.463 0.020 . 918 96 96 TYR HA H 5.202 0.020 . 919 96 96 TYR HB2 H 1.807 0.020 . 920 96 96 TYR HB3 H 1.617 0.020 . 921 96 96 TYR HD1 H 6.647 0.020 . 922 96 96 TYR HE1 H 6.337 0.020 . 923 96 96 TYR CA C 56.419 0.300 . 924 96 96 TYR CB C 40.213 0.300 . 925 96 96 TYR CD1 C 133.280 0.300 . 926 96 96 TYR CE1 C 117.145 0.300 . 927 96 96 TYR N N 123.507 0.300 . 928 97 97 CYS H H 8.437 0.020 . 929 97 97 CYS HA H 5.479 0.020 . 930 97 97 CYS HB2 H 2.531 0.020 . 931 97 97 CYS HB3 H 2.604 0.020 . 932 97 97 CYS CA C 56.360 0.300 . 933 97 97 CYS CB C 31.857 0.300 . 934 97 97 CYS N N 119.848 0.300 . 935 98 98 GLY H H 8.700 0.020 . 936 98 98 GLY HA2 H 4.242 0.020 . 937 98 98 GLY HA3 H 4.222 0.020 . 938 98 98 GLY CA C 45.827 0.300 . 939 98 98 GLY N N 112.556 0.300 . 940 99 99 THR H H 7.921 0.020 . 941 99 99 THR HA H 4.657 0.020 . 942 99 99 THR HB H 4.004 0.020 . 943 99 99 THR HG2 H 0.777 0.020 . 944 99 99 THR CA C 62.220 0.300 . 945 99 99 THR CG2 C 21.862 0.300 . 946 99 99 THR N N 118.753 0.300 . 947 100 100 ILE H H 8.706 0.020 . 948 100 100 ILE HA H 4.652 0.020 . 949 100 100 ILE HB H 1.748 0.020 . 950 100 100 ILE HG12 H 1.127 0.020 . 951 100 100 ILE HG13 H 0.680 0.020 . 952 100 100 ILE HG2 H 0.494 0.020 . 953 100 100 ILE HD1 H 0.546 0.020 . 954 100 100 ILE CA C 58.770 0.300 . 955 100 100 ILE CB C 40.261 0.300 . 956 100 100 ILE CG1 C 26.495 0.300 . 957 100 100 ILE CG2 C 17.832 0.300 . 958 100 100 ILE CD1 C 14.017 0.300 . 959 100 100 ILE N N 122.189 0.300 . 960 101 101 VAL H H 8.212 0.020 . 961 101 101 VAL HA H 4.457 0.020 . 962 101 101 VAL HB H 1.506 0.020 . 963 101 101 VAL HG1 H 0.599 0.020 . 964 101 101 VAL HG2 H 0.550 0.020 . 965 101 101 VAL CA C 60.635 0.300 . 966 101 101 VAL CB C 32.910 0.300 . 967 101 101 VAL CG1 C 20.605 0.300 . 968 101 101 VAL CG2 C 20.737 0.300 . 969 101 101 VAL N N 120.539 0.300 . 970 102 102 THR H H 8.770 0.020 . 971 102 102 THR HA H 4.561 0.020 . 972 102 102 THR HB H 4.278 0.020 . 973 102 102 THR HG2 H 0.952 0.020 . 974 102 102 THR CA C 60.720 0.300 . 975 102 102 THR CG2 C 21.529 0.300 . 976 102 102 THR N N 118.651 0.300 . 977 103 103 GLU H H 9.124 0.020 . 978 103 103 GLU HA H 4.511 0.020 . 979 103 103 GLU HB2 H 1.842 0.020 . 980 103 103 GLU HB3 H 1.842 0.020 . 981 103 103 GLU HG2 H 2.032 0.020 . 982 103 103 GLU HG3 H 2.032 0.020 . 983 103 103 GLU CA C 58.930 0.300 . 984 103 103 GLU CB C 28.721 0.300 . 985 103 103 GLU CG C 36.197 0.300 . 986 103 103 GLU N N 121.812 0.300 . 987 104 104 GLU H H 7.612 0.020 . 988 104 104 GLU HA H 4.068 0.020 . 989 104 104 GLU HB2 H 1.905 0.020 . 990 104 104 GLU HB3 H 1.504 0.020 . 991 104 104 GLU HG2 H 2.072 0.020 . 992 104 104 GLU HG3 H 1.994 0.020 . 993 104 104 GLU CA C 56.209 0.300 . 994 104 104 GLU CB C 29.636 0.300 . 995 104 104 GLU CG C 36.345 0.300 . 996 104 104 GLU N N 115.809 0.300 . 997 105 105 GLY H H 7.949 0.020 . 998 105 105 GLY HA2 H 3.874 0.020 . 999 105 105 GLY HA3 H 3.280 0.020 . 1000 105 105 GLY CA C 45.176 0.300 . 1001 105 105 GLY N N 108.822 0.300 . 1002 106 106 LYS H H 6.838 0.020 . 1003 106 106 LYS HA H 4.234 0.020 . 1004 106 106 LYS HB2 H 1.428 0.020 . 1005 106 106 LYS HB3 H 1.564 0.020 . 1006 106 106 LYS HG2 H 1.053 0.020 . 1007 106 106 LYS HG3 H 1.026 0.020 . 1008 106 106 LYS HD2 H 1.350 0.020 . 1009 106 106 LYS HD3 H 1.350 0.020 . 1010 106 106 LYS CA C 54.570 0.300 . 1011 106 106 LYS CB C 33.369 0.300 . 1012 106 106 LYS CG C 24.927 0.300 . 1013 106 106 LYS CD C 28.426 0.300 . 1014 106 106 LYS N N 119.483 0.300 . 1015 107 107 GLU H H 8.258 0.020 . 1016 107 107 GLU HA H 4.885 0.020 . 1017 107 107 GLU HB2 H 1.635 0.020 . 1018 107 107 GLU HB3 H 1.505 0.020 . 1019 107 107 GLU HG2 H 2.032 0.020 . 1020 107 107 GLU HG3 H 1.752 0.020 . 1021 107 107 GLU CA C 55.470 0.300 . 1022 107 107 GLU CB C 31.293 0.300 . 1023 107 107 GLU CG C 37.000 0.300 . 1024 107 107 GLU N N 121.664 0.300 . 1025 108 108 LYS H H 8.785 0.020 . 1026 108 108 LYS HA H 4.285 0.020 . 1027 108 108 LYS HB2 H 1.274 0.020 . 1028 108 108 LYS HB3 H 1.426 0.020 . 1029 108 108 LYS HG2 H 0.948 0.020 . 1030 108 108 LYS HG3 H 0.838 0.020 . 1031 108 108 LYS HD2 H 1.336 0.020 . 1032 108 108 LYS HD3 H 1.336 0.020 . 1033 108 108 LYS HE2 H 2.551 0.020 . 1034 108 108 LYS HE3 H 2.551 0.020 . 1035 108 108 LYS CA C 54.922 0.300 . 1036 108 108 LYS CB C 35.915 0.300 . 1037 108 108 LYS CG C 24.367 0.300 . 1038 108 108 LYS CD C 29.297 0.300 . 1039 108 108 LYS N N 124.521 0.300 . 1040 109 109 LYS H H 8.444 0.020 . 1041 109 109 LYS HA H 4.423 0.020 . 1042 109 109 LYS HB2 H 1.515 0.020 . 1043 109 109 LYS HB3 H 1.515 0.020 . 1044 109 109 LYS HG2 H 1.259 0.020 . 1045 109 109 LYS HG3 H 1.187 0.020 . 1046 109 109 LYS HD2 H 1.441 0.020 . 1047 109 109 LYS HD3 H 1.441 0.020 . 1048 109 109 LYS HE2 H 2.678 0.020 . 1049 109 109 LYS HE3 H 2.678 0.020 . 1050 109 109 LYS CA C 56.106 0.300 . 1051 109 109 LYS CB C 32.411 0.300 . 1052 109 109 LYS CG C 24.817 0.300 . 1053 109 109 LYS CD C 28.704 0.300 . 1054 109 109 LYS N N 125.183 0.300 . 1055 110 110 VAL H H 8.716 0.020 . 1056 110 110 VAL HA H 3.995 0.020 . 1057 110 110 VAL HB H 1.803 0.020 . 1058 110 110 VAL HG1 H 0.608 0.020 . 1059 110 110 VAL HG2 H 0.549 0.020 . 1060 110 110 VAL CA C 61.081 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 123.978 0.300 . 1065 111 111 ASN H H 8.569 0.020 . 1066 111 111 ASN HA H 5.192 0.020 . 1067 111 111 ASN HB2 H 2.428 0.020 . 1068 111 111 ASN HB3 H 2.340 0.020 . 1069 111 111 ASN HD22 H 7.308 0.020 . 1070 111 111 ASN CA C 53.336 0.300 . 1071 111 111 ASN CB C 40.559 0.300 . 1072 111 111 ASN N N 125.873 0.300 . 1073 111 111 ASN ND2 N 111.829 0.300 . 1074 112 112 ILE H H 8.794 0.020 . 1075 112 112 ILE HA H 4.490 0.020 . 1076 112 112 ILE HB H 1.722 0.020 . 1077 112 112 ILE HG12 H 1.267 0.020 . 1078 112 112 ILE HG13 H 0.894 0.020 . 1079 112 112 ILE HG2 H 0.835 0.020 . 1080 112 112 ILE HD1 H 0.523 0.020 . 1081 112 112 ILE CA C 60.032 0.300 . 1082 112 112 ILE CB C 41.496 0.300 . 1083 112 112 ILE CG1 C 27.456 0.300 . 1084 112 112 ILE CG2 C 17.175 0.300 . 1085 112 112 ILE CD1 C 13.706 0.300 . 1086 112 112 ILE N N 125.462 0.300 . 1087 113 113 ASP H H 8.025 0.020 . 1088 113 113 ASP HA H 5.732 0.020 . 1089 113 113 ASP HB2 H 2.564 0.020 . 1090 113 113 ASP HB3 H 2.357 0.020 . 1091 113 113 ASP CA C 52.091 0.300 . 1092 113 113 ASP CB C 43.707 0.300 . 1093 113 113 ASP N N 122.633 0.300 . 1094 114 114 PHE H H 8.506 0.020 . 1095 114 114 PHE HA H 4.556 0.020 . 1096 114 114 PHE HB2 H 3.199 0.020 . 1097 114 114 PHE HB3 H 2.546 0.020 . 1098 114 114 PHE HD1 H 6.572 0.020 . 1099 114 114 PHE HE1 H 6.644 0.020 . 1100 114 114 PHE HZ H 6.572 0.020 . 1101 114 114 PHE CA C 56.507 0.300 . 1102 114 114 PHE CB C 39.707 0.300 . 1103 114 114 PHE CD1 C 133.079 0.300 . 1104 114 114 PHE CE1 C 129.882 0.300 . 1105 114 114 PHE CZ C 128.414 0.300 . 1106 114 114 PHE N N 115.564 0.300 . 1107 115 115 GLU H H 8.433 0.020 . 1108 115 115 GLU HA H 4.605 0.020 . 1109 115 115 GLU HB2 H 1.554 0.020 . 1110 115 115 GLU HB3 H 1.506 0.020 . 1111 115 115 GLU HG2 H 1.969 0.020 . 1112 115 115 GLU HG3 H 1.969 0.020 . 1113 115 115 GLU CA C 51.719 0.300 . 1114 115 115 GLU CB C 32.786 0.300 . 1115 115 115 GLU CG C 31.185 0.300 . 1116 115 115 GLU N N 124.172 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 7.524 0.020 . 1126 117 117 PHE HA H 4.424 0.020 . 1127 117 117 PHE HB2 H 2.632 0.020 . 1128 117 117 PHE HB3 H 2.541 0.020 . 1129 117 117 PHE HD1 H 7.019 0.020 . 1130 117 117 PHE HD2 H 7.019 0.020 . 1131 117 117 PHE HE1 H 6.950 0.020 . 1132 117 117 PHE HE2 H 6.950 0.020 . 1133 117 117 PHE HZ H 6.976 0.020 . 1134 117 117 PHE CA C 54.194 0.300 . 1135 117 117 PHE CB C 38.688 0.300 . 1136 117 117 PHE CD1 C 132.491 0.300 . 1137 117 117 PHE CE1 C 131.413 0.300 . 1138 117 117 PHE CZ C 130.382 0.300 . 1139 117 117 PHE N N 116.450 0.300 . 1140 118 118 LYS H H 6.725 0.020 . 1141 118 118 LYS HA H 4.191 0.020 . 1142 118 118 LYS HB2 H 1.297 0.020 . 1143 118 118 LYS HB3 H 0.978 0.020 . 1144 118 118 LYS HG2 H 0.641 0.020 . 1145 118 118 LYS HG3 H 0.641 0.020 . 1146 118 118 LYS HE2 H 2.140 0.020 . 1147 118 118 LYS HE3 H 2.140 0.020 . 1148 118 118 LYS CA C 53.100 0.300 . 1149 118 118 LYS CB C 33.875 0.300 . 1150 118 118 LYS CG C 23.988 0.300 . 1151 118 118 LYS N N 120.375 0.300 . 1152 119 119 PRO HA H 4.320 0.020 . 1153 119 119 PRO HB2 H 1.783 0.020 . 1154 119 119 PRO HB3 H 1.783 0.020 . 1155 119 119 PRO HG2 H 1.725 0.020 . 1156 119 119 PRO HG3 H 1.725 0.020 . 1157 119 119 PRO HD2 H 3.206 0.020 . 1158 119 119 PRO HD3 H 3.206 0.020 . 1159 119 119 PRO CB C 31.861 0.300 . 1160 119 119 PRO CG C 27.168 0.300 . 1161 120 120 ILE H H 7.464 0.020 . 1162 120 120 ILE HA H 4.004 0.020 . 1163 120 120 ILE HB H 1.333 0.020 . 1164 120 120 ILE HG12 H 1.297 0.020 . 1165 120 120 ILE HG13 H 0.795 0.020 . 1166 120 120 ILE HG2 H 0.688 0.020 . 1167 120 120 ILE CA C 59.214 0.300 . 1168 120 120 ILE CB C 39.643 0.300 . 1169 120 120 ILE CG1 C 27.648 0.300 . 1170 120 120 ILE CG2 C 17.567 0.300 . 1171 120 120 ILE CD1 C 14.027 0.300 . 1172 120 120 ILE N N 122.268 0.300 . 1173 121 121 ASN H H 8.000 0.020 . 1174 121 121 ASN HA H 4.586 0.020 . 1175 121 121 ASN HB2 H 2.562 0.020 . 1176 121 121 ASN HB3 H 2.286 0.020 . 1177 121 121 ASN HD21 H 6.470 0.020 . 1178 121 121 ASN HD22 H 7.242 0.020 . 1179 121 121 ASN CA C 52.868 0.300 . 1180 121 121 ASN CB C 38.957 0.300 . 1181 121 121 ASN N N 121.917 0.300 . 1182 121 121 ASN ND2 N 112.936 0.300 . 1183 122 122 THR H H 6.834 0.020 . 1184 122 122 THR HA H 4.047 0.020 . 1185 122 122 THR HB H 3.536 0.020 . 1186 122 122 THR HG2 H 0.780 0.020 . 1187 122 122 THR CA C 60.884 0.300 . 1188 122 122 THR CG2 C 20.592 0.300 . 1189 122 122 THR N N 115.126 0.300 . 1190 123 123 SER H H 7.706 0.020 . 1191 123 123 SER HB2 H 3.485 0.020 . 1192 123 123 SER HB3 H 3.485 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 116.430 0.300 . 1196 124 124 LEU H H 8.317 0.020 . 1197 124 124 LEU HA H 4.402 0.020 . 1198 124 124 LEU HB2 H 1.242 0.020 . 1199 124 124 LEU HB3 H 1.123 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 54.955 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 127.000 0.300 . 1209 125 125 TYR H H 8.071 0.020 . 1210 125 125 TYR HA H 4.919 0.020 . 1211 125 125 TYR HB2 H 2.302 0.020 . 1212 125 125 TYR HB3 H 2.515 0.020 . 1213 125 125 TYR HD1 H 6.711 0.020 . 1214 125 125 TYR CA C 58.344 0.300 . 1215 125 125 TYR CB C 39.644 0.300 . 1216 125 125 TYR CD1 C 132.874 0.300 . 1217 125 125 TYR CE1 C 117.777 0.300 . 1218 125 125 TYR N N 125.780 0.300 . 1219 126 126 LEU H H 8.038 0.020 . 1220 126 126 LEU HA H 4.011 0.020 . 1221 126 126 LEU HB2 H 1.070 0.020 . 1222 126 126 LEU HB3 H 0.934 0.020 . 1223 126 126 LEU HG H 1.056 0.020 . 1224 126 126 LEU HD1 H 0.452 0.020 . 1225 126 126 LEU HD2 H 0.117 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 128.244 0.300 . 1232 127 127 CYS H H 8.164 0.020 . 1233 127 127 CYS HA H 4.843 0.020 . 1234 127 127 CYS HB2 H 2.561 0.020 . 1235 127 127 CYS HB3 H 2.230 0.020 . 1236 127 127 CYS HG H 1.314 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 123.926 0.300 . 1240 128 128 ASP H H 8.991 0.020 . 1241 128 128 ASP HA H 4.848 0.020 . 1242 128 128 ASP HB2 H 2.480 0.020 . 1243 128 128 ASP HB3 H 2.423 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 127.559 0.300 . 1247 129 129 ASN H H 8.985 0.020 . 1248 129 129 ASN HA H 4.534 0.020 . 1249 129 129 ASN HB2 H 2.814 0.020 . 1250 129 129 ASN HB3 H 2.368 0.020 . 1251 129 129 ASN HD21 H 7.145 0.020 . 1252 129 129 ASN HD22 H 7.145 0.020 . 1253 129 129 ASN CA C 52.780 0.300 . 1254 129 129 ASN CB C 37.902 0.300 . 1255 129 129 ASN N N 119.184 0.300 . 1256 129 129 ASN ND2 N 110.551 0.300 . 1257 130 130 LYS H H 6.984 0.020 . 1258 130 130 LYS HA H 4.021 0.020 . 1259 130 130 LYS HB2 H 1.485 0.020 . 1260 130 130 LYS HB3 H 1.373 0.020 . 1261 130 130 LYS HG2 H 0.312 0.020 . 1262 130 130 LYS HG3 H 0.945 0.020 . 1263 130 130 LYS HD2 H 1.160 0.020 . 1264 130 130 LYS HD3 H 1.160 0.020 . 1265 130 130 LYS HE2 H 2.368 0.020 . 1266 130 130 LYS HE3 H 2.368 0.020 . 1267 130 130 LYS CA C 54.315 0.300 . 1268 130 130 LYS CB C 33.947 0.300 . 1269 130 130 LYS CG C 21.585 0.300 . 1270 130 130 LYS CD C 28.696 0.300 . 1271 130 130 LYS N N 113.846 0.300 . 1272 131 131 PHE H H 9.313 0.020 . 1273 131 131 PHE HA H 4.555 0.020 . 1274 131 131 PHE HB2 H 2.458 0.020 . 1275 131 131 PHE HB3 H 2.162 0.020 . 1276 131 131 PHE HD1 H 7.033 0.020 . 1277 131 131 PHE HE1 H 6.890 0.020 . 1278 131 131 PHE HZ H 6.577 0.020 . 1279 131 131 PHE CA C 56.712 0.300 . 1280 131 131 PHE CB C 39.029 0.300 . 1281 131 131 PHE CD1 C 132.600 0.300 . 1282 131 131 PHE CE1 C 131.960 0.300 . 1283 131 131 PHE CZ C 128.852 0.300 . 1284 131 131 PHE N N 121.139 0.300 . 1285 132 132 HIS H H 8.762 0.020 . 1286 132 132 HIS HA H 3.638 0.020 . 1287 132 132 HIS HD2 H 7.210 0.020 . 1288 132 132 HIS CA C 56.460 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 120.875 0.300 . 1292 133 133 THR H H 8.615 0.020 . 1293 133 133 THR HA H 4.543 0.020 . 1294 133 133 THR HG2 H 0.671 0.020 . 1295 133 133 THR CA C 61.679 0.300 . 1296 133 133 THR CG2 C 21.325 0.300 . 1297 133 133 THR N N 118.102 0.300 . 1298 134 134 GLU H H 10.131 0.020 . 1299 134 134 GLU HA H 3.914 0.020 . 1300 134 134 GLU HB2 H 1.848 0.020 . 1301 134 134 GLU HB3 H 1.848 0.020 . 1302 134 134 GLU HG2 H 2.327 0.020 . 1303 134 134 GLU HG3 H 2.206 0.020 . 1304 134 134 GLU CA C 60.382 0.300 . 1305 134 134 GLU CB C 27.487 0.300 . 1306 134 134 GLU CG C 35.577 0.300 . 1307 134 134 GLU N N 128.414 0.300 . 1308 135 135 ALA H H 8.924 0.020 . 1309 135 135 ALA HA H 3.955 0.020 . 1310 135 135 ALA HB H 1.115 0.020 . 1311 135 135 ALA CA C 54.377 0.300 . 1312 135 135 ALA CB C 18.535 0.300 . 1313 135 135 ALA N N 122.021 0.300 . 1314 136 136 LEU H H 7.369 0.020 . 1315 136 136 LEU HA H 3.895 0.020 . 1316 136 136 LEU HB2 H 1.738 0.020 . 1317 136 136 LEU HB3 H 1.222 0.020 . 1318 136 136 LEU HG H 1.456 0.020 . 1319 136 136 LEU HD1 H 0.853 0.020 . 1320 136 136 LEU HD2 H 0.726 0.020 . 1321 136 136 LEU CA C 56.009 0.300 . 1322 136 136 LEU CB C 41.484 0.300 . 1323 136 136 LEU CG C 26.867 0.300 . 1324 136 136 LEU CD1 C 26.225 0.300 . 1325 136 136 LEU CD2 C 22.456 0.300 . 1326 136 136 LEU N N 116.296 0.300 . 1327 137 137 THR H H 7.823 0.020 . 1328 137 137 THR HA H 3.585 0.020 . 1329 137 137 THR HB H 3.517 0.020 . 1330 137 137 THR HG2 H 0.692 0.020 . 1331 137 137 THR CA C 65.513 0.300 . 1332 137 137 THR CG2 C 22.142 0.300 . 1333 137 137 THR N N 117.446 0.300 . 1334 138 138 ALA H H 7.655 0.020 . 1335 138 138 ALA HA H 3.840 0.020 . 1336 138 138 ALA HB H 1.205 0.020 . 1337 138 138 ALA CA C 54.786 0.300 . 1338 138 138 ALA CB C 17.745 0.300 . 1339 138 138 ALA N N 123.451 0.300 . 1340 139 139 LEU H H 7.282 0.020 . 1341 139 139 LEU HA H 4.306 0.020 . 1342 139 139 LEU HB2 H 1.642 0.020 . 1343 139 139 LEU HB3 H 1.605 0.020 . 1344 139 139 LEU HD1 H 0.593 0.020 . 1345 139 139 LEU HD2 H 0.641 0.020 . 1346 139 139 LEU CA C 55.464 0.300 . 1347 139 139 LEU CB C 41.835 0.300 . 1348 139 139 LEU CG C 26.840 0.300 . 1349 139 139 LEU CD1 C 24.945 0.300 . 1350 139 139 LEU CD2 C 24.331 0.300 . 1351 139 139 LEU N N 119.516 0.300 . 1352 140 140 LEU H H 7.639 0.020 . 1353 140 140 LEU HA H 3.904 0.020 . 1354 140 140 LEU HB2 H 1.449 0.020 . 1355 140 140 LEU HB3 H 1.449 0.020 . 1356 140 140 LEU HG H 1.565 0.020 . 1357 140 140 LEU HD1 H 0.609 0.020 . 1358 140 140 LEU HD2 H 0.620 0.020 . 1359 140 140 LEU CA C 56.538 0.300 . 1360 140 140 LEU CB C 41.187 0.300 . 1361 140 140 LEU CG C 26.525 0.300 . 1362 140 140 LEU CD1 C 24.359 0.300 . 1363 140 140 LEU CD2 C 25.447 0.300 . 1364 140 140 LEU N N 117.539 0.300 . 1365 141 141 SER H H 7.608 0.020 . 1366 141 141 SER HA H 4.050 0.020 . 1367 141 141 SER HB2 H 3.564 0.020 . 1368 141 141 SER HB3 H 3.564 0.020 . 1369 141 141 SER CA C 61.472 0.300 . 1370 141 141 SER CB C 63.648 0.300 . 1371 141 141 SER N N 115.496 0.300 . 1372 142 142 ASP H H 7.905 0.020 . 1373 142 142 ASP HA H 4.114 0.020 . 1374 142 142 ASP HB2 H 2.667 0.020 . 1375 142 142 ASP HB3 H 2.667 0.020 . 1376 142 142 ASP CA C 56.194 0.300 . 1377 142 142 ASP CB C 40.852 0.300 . 1378 142 142 ASP N N 121.853 0.300 . stop_ save_