data_17822 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for QFM(Y)F ; _BMRB_accession_number 17822 _BMRB_flat_file_name bmr17822.str _Entry_type original _Submission_date 2011-08-02 _Accession_date 2011-08-02 _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 Wong Leo E. . 2 Li Yan . . 3 Pillay Shubhadra . . 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" 846 "13C chemical shifts" 488 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-29 original author . stop_ _Original_release_date 2012-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Selectivity of stop codon recognition in translation termination is modulated by multiple conformations of GTS loop in eRF1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22383581 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wong Leo E. . 2 Li Yan . . 3 Pillay Shubhadra . . 4 Frolova Ludmila . . 5 Pervushin Konstantin . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 40 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5751 _Page_last 5765 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name QFMF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label QFMF $QFMF 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_QFMF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 16079.768 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADEFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NQFMYFCDNKFHTEALTALL SDLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 ASP 5 PRO 6 SER 7 ALA 8 ALA 9 ASP 10 ARG 11 ASN 12 VAL 13 GLU 14 ILE 15 TRP 16 LYS 17 ILE 18 LYS 19 LYS 20 LEU 21 ILE 22 LYS 23 SER 24 LEU 25 GLU 26 ALA 27 ALA 28 ARG 29 GLY 30 ASN 31 GLY 32 THR 33 SER 34 MET 35 ILE 36 SER 37 LEU 38 ILE 39 ILE 40 PRO 41 PRO 42 LYS 43 ASP 44 GLN 45 ILE 46 SER 47 ARG 48 VAL 49 ALA 50 LYS 51 MET 52 LEU 53 ALA 54 ASP 55 GLU 56 PHE 57 GLY 58 THR 59 ALA 60 SER 61 ASN 62 ILE 63 LYS 64 SER 65 ARG 66 VAL 67 ASN 68 ARG 69 LEU 70 SER 71 VAL 72 LEU 73 GLY 74 ALA 75 ILE 76 THR 77 SER 78 VAL 79 GLN 80 GLN 81 ARG 82 LEU 83 LYS 84 LEU 85 TYR 86 ASN 87 LYS 88 VAL 89 PRO 90 PRO 91 ASN 92 GLY 93 LEU 94 VAL 95 VAL 96 TYR 97 CYS 98 GLY 99 THR 100 ILE 101 VAL 102 THR 103 GLU 104 GLU 105 GLY 106 LYS 107 GLU 108 LYS 109 LYS 110 VAL 111 ASN 112 ILE 113 ASP 114 PHE 115 GLU 116 PRO 117 PHE 118 LYS 119 PRO 120 ILE 121 ASN 122 GLN 123 PHE 124 MET 125 TYR 126 PHE 127 CYS 128 ASP 129 ASN 130 LYS 131 PHE 132 HIS 133 THR 134 GLU 135 ALA 136 LEU 137 THR 138 ALA 139 LEU 140 LEU 141 SER 142 ASP 143 LEU 144 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 97.22 97.92 2.01e-97 BMRB 19506 eRF1 98.61 445 97.18 97.89 2.84e-92 PDB 1DT9 "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" 98.61 437 97.18 97.89 3.30e-92 PDB 2LGT "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Qfm(Y)f" 100.00 144 100.00 100.00 1.30e-100 PDB 2LLX "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" 100.00 150 97.22 97.92 2.01e-97 PDB 3E1Y "Crystal Structure Of Human Erf1ERF3 COMPLEX" 98.61 451 97.18 97.89 2.68e-92 PDB 3J5Y "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" 94.44 414 97.06 97.79 1.59e-87 PDB 4D5N "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 95.83 436 97.10 97.83 6.51e-89 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 95.83 436 97.10 97.83 6.51e-89 DBJ BAA85489 "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" 98.61 437 97.18 97.89 3.30e-92 DBJ BAC33839 "unnamed protein product [Mus musculus]" 98.61 437 97.18 97.89 3.45e-92 DBJ BAE37589 "unnamed protein product [Mus musculus]" 98.61 437 97.18 97.89 3.30e-92 DBJ BAE41096 "unnamed protein product [Mus musculus]" 98.61 437 97.18 97.89 3.34e-92 DBJ BAE41644 "unnamed protein product [Mus musculus]" 98.61 437 97.18 97.89 2.75e-92 EMBL CAA37987 "suppressor [Xenopus laevis]" 98.61 437 97.18 97.89 2.97e-92 EMBL CAA57281 "C11 protein [Homo sapiens]" 98.61 437 97.18 97.89 3.30e-92 EMBL CAA57282 "C11 protein [Mesocricetus auratus]" 98.61 437 97.18 97.89 3.30e-92 EMBL CAA78620 "XLCL1 [Xenopus laevis]" 98.61 437 97.18 97.89 2.97e-92 EMBL CAF90786 "unnamed protein product, partial [Tetraodon nigroviridis]" 98.61 443 97.18 97.89 4.70e-92 GB AAB49726 "eukaryotic release factor 1 [Homo sapiens]" 98.61 437 97.18 97.89 3.30e-92 GB AAD43966 "eRF1 [Homo sapiens]" 98.61 437 97.18 97.89 3.30e-92 GB AAH44515 "Eukaryotic translation termination factor 1 [Danio rerio]" 98.61 442 97.18 97.89 6.89e-92 GB AAH61387 "hypothetical protein MGC75958 [Xenopus (Silurana) tropicalis]" 98.61 437 97.18 97.89 3.30e-92 GB AAH66583 "Eukaryotic translation termination factor 1 [Danio rerio]" 98.61 442 97.18 97.89 6.89e-92 REF NP_001008345 "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" 98.61 437 97.18 97.89 3.30e-92 REF NP_001069722 "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 98.61 437 97.18 97.89 3.30e-92 REF NP_001076236 "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" 98.61 437 97.18 97.89 3.30e-92 REF NP_001084363 "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" 98.61 437 97.18 97.89 2.97e-92 REF NP_001126989 "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" 98.61 437 97.18 97.89 3.03e-92 SP P35615 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" 98.61 437 97.18 97.89 2.97e-92 SP P62495 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" 98.61 437 97.18 97.89 3.30e-92 SP P62496 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" 98.61 437 97.18 97.89 3.30e-92 SP P62497 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 98.61 437 97.18 97.89 3.30e-92 SP P62498 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 98.61 437 97.18 97.89 3.30e-92 TPG DAA27419 "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 98.61 437 97.18 97.89 3.30e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $QFMF 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 $QFMF 'recombinant technology' . Escherichia coli . pET 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 DSS 0.1 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _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' 0.1 . M 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 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' '3D HNCO' '3D 1H-13C NOESY' 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 QFMF _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 2 2 ALA H H 8.065 0.020 1 2 2 2 ALA HA H 4.612 0.020 1 3 2 2 ALA CA C 52.292 0.300 1 4 2 2 ALA N N 125.964 0.300 1 5 3 3 ASP H H 8.203 0.020 1 6 3 3 ASP HA H 4.610 0.020 1 7 3 3 ASP HB2 H 2.381 0.020 2 8 3 3 ASP HB3 H 2.381 0.020 2 9 3 3 ASP CA C 53.882 0.300 1 10 3 3 ASP CB C 40.810 0.300 1 11 3 3 ASP N N 119.188 0.300 1 12 4 4 ASP H H 7.954 0.020 1 13 4 4 ASP HA H 4.372 0.020 1 14 4 4 ASP HB2 H 2.600 0.020 2 15 4 4 ASP HB3 H 2.409 0.020 2 16 4 4 ASP CA C 51.761 0.300 1 17 4 4 ASP CB C 40.910 0.300 1 18 4 4 ASP N N 121.607 0.300 1 19 5 5 PRO HA H 4.252 0.020 1 20 5 5 PRO HB2 H 2.150 0.020 2 21 5 5 PRO HB3 H 2.150 0.020 2 22 5 5 PRO HG2 H 1.843 0.020 2 23 5 5 PRO HG3 H 1.843 0.020 2 24 5 5 PRO HD2 H 3.659 0.020 2 25 5 5 PRO HD3 H 3.659 0.020 2 26 5 5 PRO CA C 63.368 0.300 1 27 5 5 PRO CB C 31.859 0.300 1 28 5 5 PRO CG C 26.896 0.300 1 29 5 5 PRO CD C 50.913 0.300 1 30 6 6 SER H H 8.310 0.020 1 31 6 6 SER HA H 4.252 0.020 1 32 6 6 SER HB2 H 3.747 0.020 2 33 6 6 SER HB3 H 3.747 0.020 2 34 6 6 SER CA C 58.870 0.300 1 35 6 6 SER CB C 63.368 0.300 1 36 6 6 SER N N 115.864 0.300 1 37 7 7 ALA H H 7.854 0.020 1 38 7 7 ALA HA H 3.999 0.020 1 39 7 7 ALA HB H 1.242 0.020 . 40 7 7 ALA CA C 53.309 0.300 1 41 7 7 ALA CB C 18.551 0.300 1 42 7 7 ALA N N 125.955 0.300 1 43 8 8 ALA H H 7.910 0.020 1 44 8 8 ALA HA H 3.797 0.020 1 45 8 8 ALA HB H 1.210 0.020 . 46 8 8 ALA CA C 53.595 0.300 1 47 8 8 ALA CB C 18.452 0.300 1 48 8 8 ALA N N 122.354 0.300 1 49 9 9 ASP H H 7.970 0.020 1 50 9 9 ASP HA H 4.319 0.020 1 51 9 9 ASP HB2 H 2.521 0.020 2 52 9 9 ASP HB3 H 2.521 0.020 2 53 9 9 ASP CA C 55.143 0.300 1 54 9 9 ASP CB C 40.623 0.300 1 55 9 9 ASP N N 119.431 0.300 1 56 10 10 ARG H H 8.036 0.020 1 57 10 10 ARG HA H 3.836 0.020 1 58 10 10 ARG HB2 H 1.676 0.020 2 59 10 10 ARG HB3 H 1.676 0.020 2 60 10 10 ARG HG2 H 1.412 0.020 2 61 10 10 ARG HG3 H 1.412 0.020 2 62 10 10 ARG HD2 H 3.021 0.020 2 63 10 10 ARG HD3 H 3.021 0.020 2 64 10 10 ARG CA C 57.781 0.300 1 65 10 10 ARG CB C 29.881 0.300 1 66 10 10 ARG CG C 27.174 0.300 1 67 10 10 ARG CD C 43.112 0.300 1 68 10 10 ARG N N 122.263 0.300 1 69 11 11 ASN H H 8.077 0.020 1 70 11 11 ASN HA H 4.303 0.020 1 71 11 11 ASN HB2 H 2.640 0.020 2 72 11 11 ASN HB3 H 2.499 0.020 2 73 11 11 ASN HD21 H 7.547 0.020 2 74 11 11 ASN HD22 H 6.783 0.020 2 75 11 11 ASN CA C 55.143 0.300 1 76 11 11 ASN CB C 37.802 0.300 1 77 11 11 ASN N N 118.325 0.300 1 78 11 11 ASN ND2 N 113.788 0.300 1 79 12 12 VAL H H 7.741 0.020 1 80 12 12 VAL HA H 3.615 0.020 1 81 12 12 VAL HB H 2.000 0.020 1 82 12 12 VAL HG1 H 0.855 0.020 . 83 12 12 VAL HG2 H 0.766 0.020 . 84 12 12 VAL CA C 65.621 0.300 1 85 12 12 VAL CB C 31.486 0.300 1 86 12 12 VAL CG1 C 21.828 0.300 2 87 12 12 VAL CG2 C 20.839 0.300 2 88 12 12 VAL N N 122.103 0.300 1 89 13 13 GLU H H 7.751 0.020 1 90 13 13 GLU HA H 3.234 0.020 1 91 13 13 GLU HB2 H 1.347 0.020 2 92 13 13 GLU HB3 H 1.347 0.020 2 93 13 13 GLU HG2 H 1.635 0.020 2 94 13 13 GLU HG3 H 1.635 0.020 2 95 13 13 GLU CA C 65.061 0.300 1 96 13 13 GLU CB C 29.768 0.300 1 97 13 13 GLU CG C 38.141 0.300 1 98 13 13 GLU N N 120.785 0.300 1 99 14 14 ILE H H 7.650 0.020 1 100 14 14 ILE HA H 3.788 0.020 1 101 14 14 ILE HB H 1.785 0.020 1 102 14 14 ILE HG12 H 1.366 0.020 . 103 14 14 ILE HG13 H 1.366 0.020 . 104 14 14 ILE HG2 H 0.775 0.020 . 105 14 14 ILE HD1 H 0.573 0.020 . 106 14 14 ILE CA C 58.182 0.300 1 107 14 14 ILE CB C 34.994 0.300 1 108 14 14 ILE CG1 C 28.099 0.300 1 109 14 14 ILE CG2 C 20.635 0.300 1 110 14 14 ILE CD1 C 16.770 0.300 1 111 14 14 ILE N N 120.199 0.300 1 112 15 15 TRP H H 7.759 0.020 1 113 15 15 TRP HA H 4.053 0.020 1 114 15 15 TRP HB2 H 3.234 0.020 2 115 15 15 TRP HB3 H 3.144 0.020 2 116 15 15 TRP HD1 H 7.085 0.020 1 117 15 15 TRP HE1 H 9.952 0.020 1 118 15 15 TRP HE3 H 7.416 0.020 1 119 15 15 TRP HZ2 H 7.288 0.020 1 120 15 15 TRP HZ3 H 6.904 0.020 1 121 15 15 TRP HH2 H 7.012 0.020 1 122 15 15 TRP CA C 60.590 0.300 1 123 15 15 TRP CB C 28.444 0.300 1 124 15 15 TRP CD1 C 127.415 0.300 1 125 15 15 TRP CE3 C 121.036 0.300 1 126 15 15 TRP CZ2 C 114.782 0.300 1 127 15 15 TRP CZ3 C 122.014 0.300 1 128 15 15 TRP CH2 C 124.743 0.300 1 129 15 15 TRP N N 120.828 0.300 1 130 15 15 TRP NE1 N 129.716 0.300 1 131 16 16 LYS H H 7.963 0.020 1 132 16 16 LYS HA H 3.490 0.020 1 133 16 16 LYS HB2 H 1.567 0.020 2 134 16 16 LYS HB3 H 1.567 0.020 2 135 16 16 LYS HG2 H 1.444 0.020 2 136 16 16 LYS HG3 H 1.444 0.020 2 137 16 16 LYS HD2 H 1.684 0.020 2 138 16 16 LYS HD3 H 1.684 0.020 2 139 16 16 LYS HE2 H 2.626 0.020 2 140 16 16 LYS HE3 H 2.626 0.020 2 141 16 16 LYS CA C 59.969 0.300 1 142 16 16 LYS CB C 32.178 0.300 1 143 16 16 LYS CG C 25.317 0.300 1 144 16 16 LYS CD C 26.558 0.300 1 145 16 16 LYS CE C 41.179 0.300 1 146 16 16 LYS N N 119.063 0.300 1 147 17 17 ILE H H 7.630 0.020 1 148 17 17 ILE HA H 3.611 0.020 1 149 17 17 ILE HB H 1.915 0.020 1 150 17 17 ILE HG12 H 1.237 0.020 . 151 17 17 ILE HG13 H 1.237 0.020 . 152 17 17 ILE HG2 H 0.838 0.020 . 153 17 17 ILE HD1 H 0.756 0.020 . 154 17 17 ILE CA C 63.456 0.300 1 155 17 17 ILE CB C 36.298 0.300 1 156 17 17 ILE CG1 C 28.876 0.300 1 157 17 17 ILE CG2 C 18.736 0.300 1 158 17 17 ILE CD1 C 11.867 0.300 1 159 17 17 ILE N N 120.609 0.300 1 160 18 18 LYS H H 8.297 0.020 1 161 18 18 LYS HA H 3.583 0.020 1 162 18 18 LYS HB2 H 1.588 0.020 2 163 18 18 LYS HB3 H 1.551 0.020 2 164 18 18 LYS HG2 H 1.414 0.020 2 165 18 18 LYS HG3 H 1.101 0.020 2 166 18 18 LYS HD2 H 1.268 0.020 2 167 18 18 LYS HD3 H 1.268 0.020 2 168 18 18 LYS HE2 H 2.641 0.020 2 169 18 18 LYS HE3 H 2.518 0.020 2 170 18 18 LYS CA C 60.930 0.300 1 171 18 18 LYS CB C 32.082 0.300 1 172 18 18 LYS CG C 26.545 0.300 1 173 18 18 LYS CD C 29.343 0.300 1 174 18 18 LYS CE C 41.557 0.300 1 175 18 18 LYS N N 121.687 0.300 1 176 19 19 LYS H H 7.685 0.020 1 177 19 19 LYS HA H 3.617 0.020 1 178 19 19 LYS HB2 H 1.416 0.020 2 179 19 19 LYS HB3 H 1.371 0.020 2 180 19 19 LYS HG2 H 0.983 0.020 2 181 19 19 LYS HG3 H 1.063 0.020 2 182 19 19 LYS HD2 H 1.244 0.020 2 183 19 19 LYS HD3 H 1.244 0.020 2 184 19 19 LYS CA C 58.985 0.300 1 185 19 19 LYS CB C 31.859 0.300 1 186 19 19 LYS CG C 24.389 0.300 1 187 19 19 LYS CD C 28.745 0.300 1 188 19 19 LYS N N 119.253 0.300 1 189 20 20 LEU H H 7.509 0.020 1 190 20 20 LEU HA H 3.825 0.020 1 191 20 20 LEU HB2 H 1.355 0.020 2 192 20 20 LEU HB3 H 1.612 0.020 2 193 20 20 LEU HG H 1.139 0.020 1 194 20 20 LEU HD1 H 0.544 0.020 . 195 20 20 LEU HD2 H 0.511 0.020 . 196 20 20 LEU CA C 57.781 0.300 1 197 20 20 LEU CB C 41.411 0.300 1 198 20 20 LEU CG C 26.550 0.300 1 199 20 20 LEU CD1 C 25.924 0.300 2 200 20 20 LEU CD2 C 23.096 0.300 2 201 20 20 LEU N N 123.001 0.300 1 202 21 21 ILE H H 8.474 0.020 1 203 21 21 ILE HA H 3.070 0.020 1 204 21 21 ILE HB H 1.555 0.020 1 205 21 21 ILE HG12 H 1.129 0.020 . 206 21 21 ILE HG13 H 1.129 0.020 . 207 21 21 ILE HG2 H 0.610 0.020 . 208 21 21 ILE HD1 H 0.594 0.020 . 209 21 21 ILE CA C 66.495 0.300 1 210 21 21 ILE CB C 38.203 0.300 1 211 21 21 ILE CG1 C 26.878 0.300 1 212 21 21 ILE CG2 C 17.134 0.300 1 213 21 21 ILE CD1 C 14.659 0.300 1 214 21 21 ILE N N 119.392 0.300 1 215 22 22 LYS H H 7.300 0.020 1 216 22 22 LYS HA H 3.806 0.020 1 217 22 22 LYS HB2 H 1.649 0.020 2 218 22 22 LYS HB3 H 1.649 0.020 2 219 22 22 LYS HG2 H 1.298 0.020 2 220 22 22 LYS HG3 H 1.239 0.020 2 221 22 22 LYS HD2 H 1.453 0.020 2 222 22 22 LYS HD3 H 1.453 0.020 2 223 22 22 LYS HE2 H 2.767 0.020 2 224 22 22 LYS HE3 H 2.767 0.020 2 225 22 22 LYS CA C 58.813 0.300 1 226 22 22 LYS CB C 31.887 0.300 1 227 22 22 LYS CG C 24.677 0.300 1 228 22 22 LYS CD C 28.746 0.300 1 229 22 22 LYS CE C 41.900 0.300 1 230 22 22 LYS N N 117.524 0.300 1 231 23 23 SER H H 7.653 0.020 1 232 23 23 SER HA H 4.008 0.020 1 233 23 23 SER HB2 H 3.695 0.020 2 234 23 23 SER HB3 H 3.695 0.020 2 235 23 23 SER CA C 61.106 0.300 1 236 23 23 SER CB C 62.587 0.300 1 237 23 23 SER N N 114.880 0.300 1 238 24 24 LEU H H 8.158 0.020 1 239 24 24 LEU HA H 3.872 0.020 1 240 24 24 LEU HB2 H 1.334 0.020 2 241 24 24 LEU HB3 H 1.631 0.020 2 242 24 24 LEU HG H 1.297 0.020 1 243 24 24 LEU HD1 H -0.320 0.020 . 244 24 24 LEU HD2 H -0.399 0.020 . 245 24 24 LEU CA C 56.863 0.300 1 246 24 24 LEU CB C 41.289 0.300 1 247 24 24 LEU CG C 25.612 0.300 1 248 24 24 LEU CD1 C 20.884 0.300 2 249 24 24 LEU CD2 C 25.616 0.300 2 250 24 24 LEU N N 121.607 0.300 1 251 25 25 GLU H H 8.344 0.020 1 252 25 25 GLU HA H 3.881 0.020 1 253 25 25 GLU HB2 H 1.867 0.020 2 254 25 25 GLU HB3 H 1.811 0.020 2 255 25 25 GLU HG2 H 2.237 0.020 2 256 25 25 GLU HG3 H 2.078 0.020 2 257 25 25 GLU CA C 58.583 0.300 1 258 25 25 GLU CB C 29.180 0.300 1 259 25 25 GLU CG C 36.242 0.300 1 260 25 25 GLU N N 119.392 0.300 1 261 26 26 ALA H H 7.154 0.020 1 262 26 26 ALA HA H 4.117 0.020 1 263 26 26 ALA HB H 1.267 0.020 . 264 26 26 ALA CA C 51.990 0.300 1 265 26 26 ALA CB C 18.953 0.300 1 266 26 26 ALA N N 119.228 0.300 1 267 27 27 ALA H H 6.833 0.020 1 268 27 27 ALA HA H 4.070 0.020 1 269 27 27 ALA HB H 1.314 0.020 . 270 27 27 ALA CA C 52.468 0.300 1 271 27 27 ALA CB C 19.303 0.300 1 272 27 27 ALA N N 121.417 0.300 1 273 28 28 ARG H H 8.679 0.020 1 274 28 28 ARG HA H 4.496 0.020 1 275 28 28 ARG HB2 H 1.677 0.020 2 276 28 28 ARG HB3 H 1.677 0.020 2 277 28 28 ARG HG2 H 1.471 0.020 2 278 28 28 ARG HG3 H 1.471 0.020 2 279 28 28 ARG HD2 H 3.125 0.020 2 280 28 28 ARG HD3 H 2.970 0.020 2 281 28 28 ARG CA C 54.169 0.300 1 282 28 28 ARG CB C 32.961 0.300 1 283 28 28 ARG CG C 26.241 0.300 1 284 28 28 ARG CD C 43.117 0.300 1 285 28 28 ARG N N 123.986 0.300 1 286 29 29 GLY H H 8.091 0.020 1 287 29 29 GLY HA2 H 4.245 0.020 2 288 29 29 GLY HA3 H 3.554 0.020 2 289 29 29 GLY CA C 44.389 0.300 1 290 29 29 GLY N N 109.466 0.300 1 291 30 30 ASN H H 8.419 0.020 1 292 30 30 ASN HA H 4.655 0.020 1 293 30 30 ASN HB2 H 2.462 0.020 2 294 30 30 ASN HB3 H 2.462 0.020 2 295 30 30 ASN HD21 H 7.459 0.020 2 296 30 30 ASN HD22 H 6.650 0.020 2 297 30 30 ASN CA C 51.629 0.300 1 298 30 30 ASN CB C 37.802 0.300 1 299 30 30 ASN N N 120.048 0.300 1 300 30 30 ASN ND2 N 112.643 0.300 1 301 31 31 GLY H H 8.071 0.020 1 302 31 31 GLY HA2 H 3.901 0.020 2 303 31 31 GLY HA3 H 3.581 0.020 2 304 31 31 GLY CA C 44.686 0.300 1 305 31 31 GLY N N 110.450 0.300 1 306 32 32 THR H H 7.747 0.020 1 307 32 32 THR HA H 4.993 0.020 1 308 32 32 THR HB H 4.110 0.020 1 309 32 32 THR HG2 H 0.977 0.020 . 310 32 32 THR CA C 59.598 0.300 1 311 32 32 THR CG2 C 21.564 0.300 1 312 32 32 THR N N 112.929 0.300 1 313 33 33 SER H H 7.701 0.020 1 314 33 33 SER HA H 4.335 0.020 1 315 33 33 SER HB2 H 4.003 0.020 2 316 33 33 SER HB3 H 4.003 0.020 2 317 33 33 SER CA C 58.067 0.300 1 318 33 33 SER CB C 64.572 0.300 1 319 33 33 SER N N 115.208 0.300 1 320 34 34 MET H H 8.679 0.020 1 321 34 34 MET HA H 4.666 0.020 1 322 34 34 MET HB2 H 1.294 0.020 2 323 34 34 MET HB3 H 1.107 0.020 2 324 34 34 MET HG2 H 1.602 0.020 2 325 34 34 MET HG3 H 1.503 0.020 2 326 34 34 MET HE H 0.868 0.020 . 327 34 34 MET CA C 54.799 0.300 1 328 34 34 MET CB C 34.700 0.300 1 329 34 34 MET CG C 31.039 0.300 1 330 34 34 MET CE C 17.542 0.300 1 331 34 34 MET N N 120.869 0.300 1 332 35 35 ILE H H 9.562 0.020 1 333 35 35 ILE HA H 5.170 0.020 1 334 35 35 ILE HB H 1.761 0.020 1 335 35 35 ILE HG12 H 1.459 0.020 2 336 35 35 ILE HG13 H 1.184 0.020 2 337 35 35 ILE HG2 H 0.841 0.020 . 338 35 35 ILE HD1 H 0.804 0.020 . 339 35 35 ILE CA C 59.902 0.300 1 340 35 35 ILE CB C 39.673 0.300 1 341 35 35 ILE CG1 C 28.393 0.300 1 342 35 35 ILE CG2 C 17.780 0.300 1 343 35 35 ILE CD1 C 13.110 0.300 1 344 35 35 ILE N N 126.806 0.300 1 345 36 36 SER H H 8.422 0.020 1 346 36 36 SER HA H 4.968 0.020 1 347 36 36 SER HB2 H 3.888 0.020 2 348 36 36 SER HB3 H 3.888 0.020 2 349 36 36 SER CA C 56.602 0.300 1 350 36 36 SER CB C 64.572 0.300 1 351 36 36 SER N N 122.217 0.300 1 352 37 37 LEU H H 8.916 0.020 1 353 37 37 LEU HA H 4.981 0.020 1 354 37 37 LEU HB2 H 1.635 0.020 2 355 37 37 LEU HB3 H 1.037 0.020 2 356 37 37 LEU HG H 1.198 0.020 1 357 37 37 LEU HD1 H 0.814 0.020 . 358 37 37 LEU HD2 H 0.622 0.020 . 359 37 37 LEU CA C 53.481 0.300 1 360 37 37 LEU CB C 45.376 0.300 1 361 37 37 LEU CG C 27.382 0.300 1 362 37 37 LEU CD1 C 24.041 0.300 2 363 37 37 LEU CD2 C 27.259 0.300 2 364 37 37 LEU N N 128.938 0.300 1 365 38 38 ILE H H 8.740 0.020 1 366 38 38 ILE HA H 4.972 0.020 1 367 38 38 ILE HB H 1.542 0.020 1 368 38 38 ILE HG12 H 1.169 0.020 2 369 38 38 ILE HG13 H 0.977 0.020 2 370 38 38 ILE HG2 H 0.836 0.020 . 371 38 38 ILE HD1 H 0.594 0.020 . 372 38 38 ILE CA C 59.845 0.300 1 373 38 38 ILE CB C 39.005 0.300 1 374 38 38 ILE CG1 C 28.017 0.300 1 375 38 38 ILE CG2 C 17.585 0.300 1 376 38 38 ILE CD1 C 13.049 0.300 1 377 38 38 ILE N N 128.296 0.300 1 378 39 39 ILE H H 8.960 0.020 1 379 39 39 ILE HA H 4.399 0.020 1 380 39 39 ILE HB H 1.641 0.020 1 381 39 39 ILE HG12 H 1.134 0.020 . 382 39 39 ILE HG13 H 1.134 0.020 . 383 39 39 ILE HG2 H 0.857 0.020 . 384 39 39 ILE HD1 H 0.562 0.020 . 385 39 39 ILE CA C 57.723 0.300 1 386 39 39 ILE CB C 40.661 0.300 1 387 39 39 ILE CG1 C 25.917 0.300 1 388 39 39 ILE CG2 C 18.114 0.300 1 389 39 39 ILE CD1 C 14.382 0.300 1 390 39 39 ILE N N 125.429 0.300 1 391 40 40 PRO HA H 4.407 0.020 1 392 40 40 PRO HB2 H 1.712 0.020 2 393 40 40 PRO HB3 H 1.744 0.020 2 394 40 40 PRO HG2 H 1.762 0.020 2 395 40 40 PRO HG3 H 1.762 0.020 2 396 40 40 PRO HD2 H 3.895 0.020 2 397 40 40 PRO HD3 H 3.895 0.020 2 398 40 40 PRO CA C 67.182 0.300 1 399 40 40 PRO CB C 31.372 0.300 1 400 40 40 PRO CG C 26.547 0.300 1 401 40 40 PRO CD C 52.795 0.300 1 402 41 41 PRO HA H 3.821 0.020 1 403 41 41 PRO HB2 H 2.326 0.020 2 404 41 41 PRO HB3 H 2.326 0.020 2 405 41 41 PRO HG2 H 1.673 0.020 2 406 41 41 PRO HG3 H 1.673 0.020 2 407 41 41 PRO HD2 H 3.539 0.020 2 408 41 41 PRO HD3 H 3.539 0.020 2 409 41 41 PRO CA C 67.815 0.300 1 410 41 41 PRO CB C 32.177 0.300 1 411 41 41 PRO CG C 27.659 0.300 1 412 41 41 PRO CD C 50.038 0.300 1 413 42 42 LYS H H 8.004 0.020 1 414 42 42 LYS HA H 3.956 0.020 1 415 42 42 LYS HB2 H 1.757 0.020 2 416 42 42 LYS HB3 H 1.757 0.020 2 417 42 42 LYS HG2 H 1.180 0.020 2 418 42 42 LYS HG3 H 1.180 0.020 2 419 42 42 LYS HD2 H 1.471 0.020 2 420 42 42 LYS HD3 H 1.471 0.020 2 421 42 42 LYS CA C 56.806 0.300 1 422 42 42 LYS CB C 30.182 0.300 1 423 42 42 LYS CG C 25.055 0.300 1 424 42 42 LYS CD C 29.056 0.300 1 425 42 42 LYS N N 113.683 0.300 1 426 43 43 ASP H H 7.290 0.020 1 427 43 43 ASP HA H 4.435 0.020 1 428 43 43 ASP HB2 H 2.453 0.020 2 429 43 43 ASP HB3 H 2.337 0.020 2 430 43 43 ASP CA C 52.506 0.300 1 431 43 43 ASP CB C 42.215 0.300 1 432 43 43 ASP N N 121.628 0.300 1 433 44 44 GLN H H 9.610 0.020 1 434 44 44 GLN HA H 4.537 0.020 1 435 44 44 GLN HB2 H 2.011 0.020 2 436 44 44 GLN HB3 H 1.645 0.020 2 437 44 44 GLN HG2 H 2.227 0.020 2 438 44 44 GLN HG3 H 2.227 0.020 2 439 44 44 GLN HE21 H 7.275 0.020 2 440 44 44 GLN HE22 H 6.625 0.020 2 441 44 44 GLN CA C 53.939 0.300 1 442 44 44 GLN CB C 31.544 0.300 1 443 44 44 GLN CG C 33.375 0.300 1 444 44 44 GLN N N 117.587 0.300 1 445 44 44 GLN NE2 N 113.287 0.300 1 446 45 45 ILE H H 8.806 0.020 1 447 45 45 ILE HA H 3.301 0.020 1 448 45 45 ILE HB H 1.730 0.020 1 449 45 45 ILE HG12 H 1.144 0.020 2 450 45 45 ILE HG13 H 1.191 0.020 2 451 45 45 ILE HG2 H 0.714 0.020 . 452 45 45 ILE HD1 H 0.363 0.020 . 453 45 45 ILE CA C 63.284 0.300 1 454 45 45 ILE CB C 35.633 0.300 1 455 45 45 ILE CG1 C 26.992 0.300 1 456 45 45 ILE CG2 C 17.047 0.300 1 457 45 45 ILE CD1 C 10.526 0.300 1 458 45 45 ILE N N 126.939 0.300 1 459 46 46 SER H H 8.476 0.020 1 460 46 46 SER HA H 3.931 0.020 1 461 46 46 SER HB2 H 3.698 0.020 2 462 46 46 SER HB3 H 3.698 0.020 2 463 46 46 SER CA C 60.762 0.300 1 464 46 46 SER CB C 61.464 0.300 1 465 46 46 SER N N 113.239 0.300 1 466 47 47 ARG H H 6.731 0.020 1 467 47 47 ARG HA H 3.791 0.020 1 468 47 47 ARG HB2 H 1.760 0.020 2 469 47 47 ARG HB3 H 1.856 0.020 2 470 47 47 ARG HG2 H 1.459 0.020 2 471 47 47 ARG HG3 H 1.459 0.020 2 472 47 47 ARG HD2 H 3.047 0.020 2 473 47 47 ARG HD3 H 2.712 0.020 2 474 47 47 ARG CA C 58.927 0.300 1 475 47 47 ARG CB C 30.583 0.300 1 476 47 47 ARG CG C 27.236 0.300 1 477 47 47 ARG CD C 41.845 0.300 1 478 47 47 ARG N N 124.530 0.300 1 479 48 48 VAL H H 7.257 0.020 1 480 48 48 VAL HA H 3.147 0.020 1 481 48 48 VAL HB H 1.923 0.020 1 482 48 48 VAL HG1 H 0.829 0.020 . 483 48 48 VAL HG2 H 0.557 0.020 . 484 48 48 VAL CA C 66.208 0.300 1 485 48 48 VAL CB C 31.468 0.300 1 486 48 48 VAL CG1 C 22.484 0.300 2 487 48 48 VAL CG2 C 22.656 0.300 2 488 48 48 VAL N N 121.935 0.300 1 489 49 49 ALA H H 8.864 0.020 1 490 49 49 ALA HA H 3.882 0.020 1 491 49 49 ALA HB H 1.225 0.020 . 492 49 49 ALA CA C 55.143 0.300 1 493 49 49 ALA CB C 17.650 0.300 1 494 49 49 ALA N N 122.345 0.300 1 495 50 50 LYS H H 7.380 0.020 1 496 50 50 LYS HA H 3.903 0.020 1 497 50 50 LYS HB2 H 1.731 0.020 2 498 50 50 LYS HB3 H 1.731 0.020 2 499 50 50 LYS HG2 H 1.296 0.020 2 500 50 50 LYS HG3 H 1.231 0.020 2 501 50 50 LYS HD2 H 1.593 0.020 2 502 50 50 LYS HD3 H 1.593 0.020 2 503 50 50 LYS CA C 58.927 0.300 1 504 50 50 LYS CB C 31.586 0.300 1 505 50 50 LYS CG C 25.045 0.300 1 506 50 50 LYS CD C 26.554 0.300 1 507 50 50 LYS N N 120.376 0.300 1 508 51 51 MET H H 7.508 0.020 1 509 51 51 MET HA H 3.935 0.020 1 510 51 51 MET HB2 H 2.090 0.020 2 511 51 51 MET HB3 H 1.886 0.020 2 512 51 51 MET HG2 H 2.200 0.020 2 513 51 51 MET HG3 H 2.520 0.020 2 514 51 51 MET HE H 1.458 0.020 . 515 51 51 MET CA C 58.927 0.300 1 516 51 51 MET CB C 30.734 0.300 1 517 51 51 MET CG C 31.434 0.300 1 518 51 51 MET CE C 16.553 0.300 1 519 51 51 MET N N 121.641 0.300 1 520 52 52 LEU H H 8.203 0.020 1 521 52 52 LEU HA H 3.657 0.020 1 522 52 52 LEU HB2 H 1.078 0.020 2 523 52 52 LEU HB3 H 1.748 0.020 2 524 52 52 LEU HG H 1.594 0.020 1 525 52 52 LEU HD1 H 0.600 0.020 . 526 52 52 LEU HD2 H 0.562 0.020 . 527 52 52 LEU CA C 57.437 0.300 1 528 52 52 LEU CB C 41.554 0.300 1 529 52 52 LEU CG C 26.616 0.300 1 530 52 52 LEU CD1 C 27.471 0.300 2 531 52 52 LEU CD2 C 22.491 0.300 2 532 52 52 LEU N N 120.125 0.300 1 533 53 53 ALA H H 7.775 0.020 1 534 53 53 ALA HA H 3.945 0.020 1 535 53 53 ALA HB H 1.297 0.020 . 536 53 53 ALA CA C 54.799 0.300 1 537 53 53 ALA CB C 17.249 0.300 1 538 53 53 ALA N N 123.639 0.300 1 539 54 54 ASP H H 8.156 0.020 1 540 54 54 ASP HA H 4.329 0.020 1 541 54 54 ASP HB2 H 2.862 0.020 2 542 54 54 ASP HB3 H 2.566 0.020 2 543 54 54 ASP CA C 57.207 0.300 1 544 54 54 ASP CB C 39.105 0.300 1 545 54 54 ASP N N 123.165 0.300 1 546 55 55 GLU H H 8.221 0.020 1 547 55 55 GLU HA H 3.876 0.020 1 548 55 55 GLU HB2 H 2.077 0.020 2 549 55 55 GLU HB3 H 2.022 0.020 2 550 55 55 GLU HG2 H 2.190 0.020 2 551 55 55 GLU HG3 H 2.190 0.020 2 552 55 55 GLU CA C 58.583 0.300 1 553 55 55 GLU CB C 29.019 0.300 1 554 55 55 GLU CG C 36.012 0.300 1 555 55 55 GLU N N 122.017 0.300 1 556 56 56 PHE H H 8.711 0.020 1 557 56 56 PHE HA H 4.681 0.020 1 558 56 56 PHE HB2 H 2.984 0.020 2 559 56 56 PHE HB3 H 3.347 0.020 2 560 56 56 PHE HD2 H 6.907 0.020 3 561 56 56 PHE HE2 H 7.165 0.020 3 562 56 56 PHE HZ H 7.122 0.020 1 563 56 56 PHE CA C 61.515 0.300 1 564 56 56 PHE CB C 39.212 0.300 1 565 56 56 PHE CD2 C 131.962 0.300 3 566 56 56 PHE CE2 C 132.317 0.300 3 567 56 56 PHE CZ C 130.400 0.300 1 568 56 56 PHE N N 123.334 0.300 1 569 57 57 GLY H H 7.985 0.020 1 570 57 57 GLY HA2 H 3.723 0.020 2 571 57 57 GLY HA3 H 3.939 0.020 2 572 57 57 GLY CA C 47.483 0.300 1 573 57 57 GLY N N 107.156 0.300 1 574 58 58 THR H H 7.992 0.020 1 575 58 58 THR HA H 4.062 0.020 1 576 58 58 THR HB H 3.883 0.020 1 577 58 58 THR HG2 H 1.088 0.020 . 578 58 58 THR CA C 65.406 0.300 1 579 58 58 THR CB C 68.408 0.300 1 580 58 58 THR CG2 C 22.162 0.300 1 581 58 58 THR N N 118.940 0.300 1 582 59 59 ALA H H 8.351 0.020 1 583 59 59 ALA HA H 3.928 0.020 1 584 59 59 ALA HB H 1.198 0.020 . 585 59 59 ALA CA C 53.939 0.300 1 586 59 59 ALA CB C 18.151 0.300 1 587 59 59 ALA N N 126.365 0.300 1 588 60 60 SER H H 7.459 0.020 1 589 60 60 SER HA H 4.632 0.020 1 590 60 60 SER HB2 H 3.786 0.020 2 591 60 60 SER HB3 H 3.786 0.020 2 592 60 60 SER CA C 61.220 0.300 1 593 60 60 SER CB C 62.686 0.300 1 594 60 60 SER N N 112.435 0.300 1 595 61 61 ASN H H 7.372 0.020 1 596 61 61 ASN HA H 4.513 0.020 1 597 61 61 ASN HB2 H 2.764 0.020 2 598 61 61 ASN HB3 H 2.596 0.020 2 599 61 61 ASN HD21 H 7.351 0.020 2 600 61 61 ASN HD22 H 6.838 0.020 2 601 61 61 ASN CA C 53.022 0.300 1 602 61 61 ASN CB C 39.005 0.300 1 603 61 61 ASN N N 116.971 0.300 1 604 61 61 ASN ND2 N 114.742 0.300 1 605 62 62 ILE H H 7.461 0.020 1 606 62 62 ILE HA H 3.636 0.020 1 607 62 62 ILE HB H 1.528 0.020 1 608 62 62 ILE HG12 H 0.934 0.020 2 609 62 62 ILE HG13 H 1.633 0.020 2 610 62 62 ILE HG2 H 0.890 0.020 . 611 62 62 ILE HD1 H 0.811 0.020 . 612 62 62 ILE CA C 63.428 0.300 1 613 62 62 ILE CB C 38.430 0.300 1 614 62 62 ILE CG1 C 29.071 0.300 1 615 62 62 ILE CG2 C 16.873 0.300 1 616 62 62 ILE CD1 C 13.755 0.300 1 617 62 62 ILE N N 123.980 0.300 1 618 63 63 LYS H H 8.417 0.020 1 619 63 63 LYS HA H 3.797 0.020 1 620 63 63 LYS HB2 H 1.652 0.020 2 621 63 63 LYS HB3 H 1.652 0.020 2 622 63 63 LYS HG2 H 1.412 0.020 2 623 63 63 LYS HG3 H 1.285 0.020 2 624 63 63 LYS HD2 H 1.513 0.020 2 625 63 63 LYS HD3 H 1.513 0.020 2 626 63 63 LYS HE2 H 2.859 0.020 2 627 63 63 LYS HE3 H 2.859 0.020 2 628 63 63 LYS CA C 58.698 0.300 1 629 63 63 LYS CB C 32.706 0.300 1 630 63 63 LYS CG C 24.926 0.300 1 631 63 63 LYS CD C 28.388 0.300 1 632 63 63 LYS CE C 41.900 0.300 1 633 63 63 LYS N N 128.982 0.300 1 634 64 64 SER H H 7.599 0.020 1 635 64 64 SER HA H 4.616 0.020 1 636 64 64 SER HB2 H 3.837 0.020 2 637 64 64 SER HB3 H 3.598 0.020 2 638 64 64 SER CA C 56.749 0.300 1 639 64 64 SER CB C 62.962 0.300 1 640 64 64 SER N N 114.306 0.300 1 641 65 65 ARG H H 8.689 0.020 1 642 65 65 ARG HA H 4.306 0.020 1 643 65 65 ARG HB2 H 1.692 0.020 2 644 65 65 ARG HB3 H 1.648 0.020 2 645 65 65 ARG HG2 H 1.458 0.020 2 646 65 65 ARG HG3 H 1.376 0.020 2 647 65 65 ARG HD2 H 3.123 0.020 2 648 65 65 ARG HD3 H 2.953 0.020 2 649 65 65 ARG CA C 59.902 0.300 1 650 65 65 ARG CB C 33.098 0.300 1 651 65 65 ARG CG C 27.445 0.300 1 652 65 65 ARG CD C 43.180 0.300 1 653 65 65 ARG N N 132.125 0.300 1 654 66 66 VAL H H 7.946 0.020 1 655 66 66 VAL HA H 3.551 0.020 1 656 66 66 VAL HB H 1.737 0.020 1 657 66 66 VAL HG1 H 0.829 0.020 . 658 66 66 VAL HG2 H 0.725 0.020 . 659 66 66 VAL CA C 65.463 0.300 1 660 66 66 VAL CB C 31.586 0.300 1 661 66 66 VAL CG1 C 21.613 0.300 2 662 66 66 VAL CG2 C 20.269 0.300 2 663 66 66 VAL N N 116.947 0.300 1 664 67 67 ASN H H 7.386 0.020 1 665 67 67 ASN HA H 4.412 0.020 1 666 67 67 ASN HB2 H 2.592 0.020 2 667 67 67 ASN HB3 H 2.592 0.020 2 668 67 67 ASN HD21 H 7.345 0.020 2 669 67 67 ASN HD22 H 6.772 0.020 2 670 67 67 ASN CA C 55.373 0.300 1 671 67 67 ASN CB C 38.036 0.300 1 672 67 67 ASN N N 119.499 0.300 1 673 67 67 ASN ND2 N 111.758 0.300 1 674 68 68 ARG H H 8.566 0.020 1 675 68 68 ARG HA H 3.594 0.020 1 676 68 68 ARG HB2 H 1.667 0.020 2 677 68 68 ARG HB3 H 1.697 0.020 2 678 68 68 ARG HG2 H 1.093 0.020 2 679 68 68 ARG HG3 H 1.093 0.020 2 680 68 68 ARG HD2 H 3.268 0.020 2 681 68 68 ARG HD3 H 3.074 0.020 2 682 68 68 ARG CA C 59.798 0.300 1 683 68 68 ARG CB C 30.559 0.300 1 684 68 68 ARG CG C 26.664 0.300 1 685 68 68 ARG CD C 43.180 0.300 1 686 68 68 ARG N N 122.132 0.300 1 687 69 69 LEU H H 8.167 0.020 1 688 69 69 LEU HA H 3.783 0.020 1 689 69 69 LEU HB2 H 1.369 0.020 2 690 69 69 LEU HB3 H 1.674 0.020 2 691 69 69 LEU HG H 1.714 0.020 1 692 69 69 LEU HD1 H 0.727 0.020 . 693 69 69 LEU HD2 H 0.701 0.020 . 694 69 69 LEU CA C 57.895 0.300 1 695 69 69 LEU CB C 40.609 0.300 1 696 69 69 LEU CG C 27.180 0.300 1 697 69 69 LEU CD1 C 24.683 0.300 2 698 69 69 LEU CD2 C 22.483 0.300 2 699 69 69 LEU N N 116.564 0.300 1 700 70 70 SER H H 7.589 0.020 1 701 70 70 SER HA H 4.132 0.020 1 702 70 70 SER HB2 H 3.930 0.020 2 703 70 70 SER HB3 H 3.807 0.020 2 704 70 70 SER CA C 61.450 0.300 1 705 70 70 SER CB C 62.635 0.300 1 706 70 70 SER N N 116.805 0.300 1 707 71 71 VAL H H 7.934 0.020 1 708 71 71 VAL HA H 3.483 0.020 1 709 71 71 VAL HB H 1.838 0.020 1 710 71 71 VAL HG1 H 0.830 0.020 . 711 71 71 VAL HG2 H 0.797 0.020 . 712 71 71 VAL CA C 66.839 0.300 1 713 71 71 VAL CB C 31.649 0.300 1 714 71 71 VAL CG1 C 23.122 0.300 2 715 71 71 VAL CG2 C 22.161 0.300 2 716 71 71 VAL N N 124.991 0.300 1 717 72 72 LEU H H 8.354 0.020 1 718 72 72 LEU HA H 3.721 0.020 1 719 72 72 LEU HB2 H 1.529 0.020 2 720 72 72 LEU HB3 H 1.244 0.020 2 721 72 72 LEU HG H 1.505 0.020 1 722 72 72 LEU HD1 H 0.423 0.020 . 723 72 72 LEU HD2 H -0.195 0.020 . 724 72 72 LEU CA C 58.239 0.300 1 725 72 72 LEU CB C 40.298 0.300 1 726 72 72 LEU CG C 25.637 0.300 1 727 72 72 LEU CD1 C 25.601 0.300 2 728 72 72 LEU CD2 C 22.181 0.300 2 729 72 72 LEU N N 118.680 0.300 1 730 73 73 GLY H H 8.052 0.020 1 731 73 73 GLY HA2 H 3.725 0.020 2 732 73 73 GLY HA3 H 3.827 0.020 2 733 73 73 GLY CA C 46.945 0.300 1 734 73 73 GLY N N 106.674 0.300 1 735 74 74 ALA H H 7.784 0.020 1 736 74 74 ALA HA H 4.153 0.020 1 737 74 74 ALA HB H 1.419 0.020 . 738 74 74 ALA CA C 55.373 0.300 1 739 74 74 ALA CB C 17.806 0.300 1 740 74 74 ALA N N 127.313 0.300 1 741 75 75 ILE H H 8.638 0.020 1 742 75 75 ILE HA H 3.362 0.020 1 743 75 75 ILE HB H 1.841 0.020 1 744 75 75 ILE HG12 H 0.855 0.020 2 745 75 75 ILE HG13 H 1.937 0.020 2 746 75 75 ILE HG2 H 0.904 0.020 . 747 75 75 ILE HD1 H 0.693 0.020 . 748 75 75 ILE CA C 66.610 0.300 1 749 75 75 ILE CB C 38.424 0.300 1 750 75 75 ILE CG1 C 29.676 0.300 1 751 75 75 ILE CG2 C 18.123 0.300 1 752 75 75 ILE CD1 C 14.232 0.300 1 753 75 75 ILE N N 119.310 0.300 1 754 76 76 THR H H 8.317 0.020 1 755 76 76 THR HA H 4.227 0.020 1 756 76 76 THR HB H 3.954 0.020 1 757 76 76 THR HG1 H 4.608 0.020 1 758 76 76 THR HG2 H 1.116 0.020 . 759 76 76 THR CA C 66.782 0.300 1 760 76 76 THR CB C 68.478 0.300 1 761 76 76 THR CG2 C 21.241 0.300 1 762 76 76 THR N N 116.205 0.300 1 763 77 77 SER H H 7.843 0.020 1 764 77 77 SER HA H 4.173 0.020 1 765 77 77 SER HB2 H 4.065 0.020 2 766 77 77 SER HB3 H 4.065 0.020 2 767 77 77 SER CA C 62.482 0.300 1 768 77 77 SER CB C 63.484 0.300 1 769 77 77 SER N N 118.405 0.300 1 770 78 78 VAL H H 8.153 0.020 1 771 78 78 VAL HA H 3.573 0.020 1 772 78 78 VAL HB H 2.111 0.020 1 773 78 78 VAL HG1 H 0.979 0.020 . 774 78 78 VAL HG2 H 0.806 0.020 . 775 78 78 VAL CA C 66.724 0.300 1 776 78 78 VAL CB C 30.984 0.300 1 777 78 78 VAL CG1 C 23.786 0.300 2 778 78 78 VAL CG2 C 23.161 0.300 2 779 78 78 VAL N N 124.171 0.300 1 780 79 79 GLN H H 8.688 0.020 1 781 79 79 GLN HA H 3.929 0.020 1 782 79 79 GLN HB2 H 2.248 0.020 2 783 79 79 GLN HB3 H 1.712 0.020 2 784 79 79 GLN HG2 H 2.051 0.020 2 785 79 79 GLN HG3 H 2.277 0.020 2 786 79 79 GLN HE21 H 6.918 0.020 2 787 79 79 GLN HE22 H 6.485 0.020 2 788 79 79 GLN CA C 59.386 0.300 1 789 79 79 GLN CB C 28.779 0.300 1 790 79 79 GLN CG C 33.530 0.300 1 791 79 79 GLN N N 120.008 0.300 1 792 79 79 GLN NE2 N 109.947 0.300 1 793 80 80 GLN H H 7.850 0.020 1 794 80 80 GLN HA H 3.775 0.020 1 795 80 80 GLN HB2 H 1.954 0.020 2 796 80 80 GLN HB3 H 2.088 0.020 2 797 80 80 GLN HG2 H 2.424 0.020 2 798 80 80 GLN HG3 H 2.302 0.020 2 799 80 80 GLN HE21 H 7.207 0.020 2 800 80 80 GLN HE22 H 6.717 0.020 2 801 80 80 GLN CA C 58.526 0.300 1 802 80 80 GLN CB C 27.977 0.300 1 803 80 80 GLN CG C 33.724 0.300 1 804 80 80 GLN N N 116.870 0.300 1 805 80 80 GLN NE2 N 112.595 0.300 1 806 81 81 ARG H H 7.520 0.020 1 807 81 81 ARG HA H 3.992 0.020 1 808 81 81 ARG HB2 H 1.781 0.020 2 809 81 81 ARG HB3 H 1.902 0.020 2 810 81 81 ARG HG2 H 1.825 0.020 2 811 81 81 ARG HG3 H 1.523 0.020 2 812 81 81 ARG HD2 H 3.001 0.020 2 813 81 81 ARG HD3 H 3.001 0.020 2 814 81 81 ARG CA C 56.634 0.300 1 815 81 81 ARG CB C 28.322 0.300 1 816 81 81 ARG CG C 24.994 0.300 1 817 81 81 ARG CD C 41.248 0.300 1 818 81 81 ARG N N 119.074 0.300 1 819 82 82 LEU H H 8.189 0.020 1 820 82 82 LEU HA H 3.891 0.020 1 821 82 82 LEU HB2 H 1.330 0.020 2 822 82 82 LEU HB3 H 1.664 0.020 2 823 82 82 LEU HG H 1.692 0.020 1 824 82 82 LEU HD1 H 0.515 0.020 . 825 82 82 LEU HD2 H 0.440 0.020 . 826 82 82 LEU CA C 57.437 0.300 1 827 82 82 LEU CB C 40.810 0.300 1 828 82 82 LEU CG C 26.219 0.300 1 829 82 82 LEU CD1 C 25.343 0.300 2 830 82 82 LEU CD2 C 22.486 0.300 2 831 82 82 LEU N N 117.238 0.300 1 832 83 83 LYS H H 7.064 0.020 1 833 83 83 LYS HA H 3.945 0.020 1 834 83 83 LYS HB2 H 1.697 0.020 2 835 83 83 LYS HB3 H 1.697 0.020 2 836 83 83 LYS HG2 H 1.446 0.020 2 837 83 83 LYS HG3 H 1.334 0.020 2 838 83 83 LYS HD2 H 1.475 0.020 2 839 83 83 LYS HD3 H 1.475 0.020 2 840 83 83 LYS HE2 H 2.737 0.020 2 841 83 83 LYS HE3 H 2.737 0.020 2 842 83 83 LYS CA C 57.666 0.300 1 843 83 83 LYS CB C 31.987 0.300 1 844 83 83 LYS CG C 24.926 0.300 1 845 83 83 LYS CD C 29.004 0.300 1 846 83 83 LYS CE C 41.364 0.300 1 847 83 83 LYS N N 114.899 0.300 1 848 84 84 LEU H H 7.271 0.020 1 849 84 84 LEU HA H 3.873 0.020 1 850 84 84 LEU HB2 H 1.615 0.020 2 851 84 84 LEU HB3 H 1.099 0.020 2 852 84 84 LEU HG H 1.583 0.020 1 853 84 84 LEU HD1 H 0.742 0.020 . 854 84 84 LEU HD2 H 0.596 0.020 . 855 84 84 LEU CA C 55.315 0.300 1 856 84 84 LEU CB C 40.929 0.300 1 857 84 84 LEU CG C 26.256 0.300 1 858 84 84 LEU CD1 C 24.973 0.300 2 859 84 84 LEU CD2 C 21.852 0.300 2 860 84 84 LEU N N 117.840 0.300 1 861 85 85 TYR H H 7.633 0.020 1 862 85 85 TYR HA H 4.255 0.020 1 863 85 85 TYR HB2 H 2.689 0.020 2 864 85 85 TYR HB3 H 2.646 0.020 2 865 85 85 TYR HD1 H 7.019 0.020 3 866 85 85 TYR HE1 H 6.477 0.020 3 867 85 85 TYR CA C 58.067 0.300 1 868 85 85 TYR CB C 39.068 0.300 1 869 85 85 TYR CD1 C 133.532 0.300 3 870 85 85 TYR CE1 C 117.922 0.300 3 871 85 85 TYR N N 119.720 0.300 1 872 86 86 ASN H H 8.622 0.020 1 873 86 86 ASN HA H 4.474 0.020 1 874 86 86 ASN HB2 H 2.635 0.020 2 875 86 86 ASN HB3 H 2.635 0.020 2 876 86 86 ASN HD21 H 7.463 0.020 2 877 86 86 ASN HD22 H 6.773 0.020 2 878 86 86 ASN CA C 53.882 0.300 1 879 86 86 ASN CB C 38.742 0.300 1 880 86 86 ASN N N 119.638 0.300 1 881 86 86 ASN ND2 N 113.597 0.300 1 882 87 87 LYS H H 7.631 0.020 1 883 87 87 LYS HA H 4.498 0.020 1 884 87 87 LYS HB2 H 1.720 0.020 2 885 87 87 LYS HB3 H 1.545 0.020 2 886 87 87 LYS HG2 H 1.236 0.020 2 887 87 87 LYS HG3 H 1.061 0.020 2 888 87 87 LYS HD2 H 1.511 0.020 2 889 87 87 LYS HD3 H 1.511 0.020 2 890 87 87 LYS HE2 H 2.837 0.020 2 891 87 87 LYS HE3 H 2.638 0.020 2 892 87 87 LYS CA C 54.169 0.300 1 893 87 87 LYS CB C 34.673 0.300 1 894 87 87 LYS CG C 23.136 0.300 1 895 87 87 LYS CD C 29.014 0.300 1 896 87 87 LYS CE C 41.526 0.300 1 897 87 87 LYS N N 116.321 0.300 1 898 88 88 VAL H H 8.357 0.020 1 899 88 88 VAL HA H 3.622 0.020 1 900 88 88 VAL HB H 1.752 0.020 1 901 88 88 VAL HG1 H 0.576 0.020 . 902 88 88 VAL HG2 H 0.844 0.020 . 903 88 88 VAL CA C 61.966 0.300 1 904 88 88 VAL CB C 32.288 0.300 1 905 88 88 VAL CG1 C 23.206 0.300 2 906 88 88 VAL CG2 C 22.318 0.300 2 907 88 88 VAL N N 125.141 0.300 1 908 89 89 PRO HA H 4.253 0.020 1 909 89 89 PRO HB2 H 2.139 0.020 2 910 89 89 PRO HB3 H 2.139 0.020 2 911 89 89 PRO HG2 H 1.843 0.020 2 912 89 89 PRO HG3 H 1.843 0.020 2 913 89 89 PRO HD2 H 3.649 0.020 2 914 89 89 PRO HD3 H 3.649 0.020 2 915 89 89 PRO CA C 63.340 0.300 1 916 89 89 PRO CB C 31.554 0.300 1 917 89 89 PRO CG C 26.896 0.300 1 918 89 89 PRO CD C 50.599 0.300 1 919 90 90 PRO HA H 4.500 0.020 1 920 90 90 PRO HB2 H 1.865 0.020 2 921 90 90 PRO HB3 H 1.865 0.020 2 922 90 90 PRO HG2 H 1.815 0.020 2 923 90 90 PRO HG3 H 1.815 0.020 2 924 90 90 PRO HD2 H 3.280 0.020 2 925 90 90 PRO HD3 H 3.280 0.020 2 926 90 90 PRO CA C 65.979 0.300 1 927 90 90 PRO CB C 32.188 0.300 1 928 90 90 PRO CG C 27.496 0.300 1 929 90 90 PRO CD C 50.436 0.300 1 930 91 91 ASN H H 9.163 0.020 1 931 91 91 ASN HA H 4.655 0.020 1 932 91 91 ASN HB2 H 2.896 0.020 2 933 91 91 ASN HB3 H 2.501 0.020 2 934 91 91 ASN HD21 H 6.918 0.020 2 935 91 91 ASN HD22 H 6.107 0.020 2 936 91 91 ASN CA C 51.875 0.300 1 937 91 91 ASN CB C 37.443 0.300 1 938 91 91 ASN N N 112.735 0.300 1 939 91 91 ASN ND2 N 107.791 0.300 1 940 92 92 GLY H H 7.898 0.020 1 941 92 92 GLY HA2 H 4.308 0.020 2 942 92 92 GLY HA3 H 2.922 0.020 2 943 92 92 GLY CA C 43.441 0.300 1 944 92 92 GLY N N 108.893 0.300 1 945 93 93 LEU H H 8.508 0.020 1 946 93 93 LEU HA H 4.324 0.020 1 947 93 93 LEU HB2 H 1.163 0.020 2 948 93 93 LEU HB3 H 0.576 0.020 2 949 93 93 LEU HG H 0.792 0.020 1 950 93 93 LEU HD1 H 0.126 0.020 . 951 93 93 LEU HD2 H -0.239 0.020 . 952 93 93 LEU CA C 53.767 0.300 1 953 93 93 LEU CB C 47.527 0.300 1 954 93 93 LEU CG C 26.287 0.300 1 955 93 93 LEU CD1 C 22.510 0.300 2 956 93 93 LEU CD2 C 24.379 0.300 2 957 93 93 LEU N N 117.751 0.300 1 958 94 94 VAL H H 8.168 0.020 1 959 94 94 VAL HA H 4.350 0.020 1 960 94 94 VAL HB H 0.528 0.020 1 961 94 94 VAL HG1 H 0.280 0.020 . 962 94 94 VAL HG2 H 0.131 0.020 . 963 94 94 VAL CA C 60.475 0.300 1 964 94 94 VAL CB C 32.168 0.300 1 965 94 94 VAL CG1 C 20.610 0.300 2 966 94 94 VAL CG2 C 22.180 0.300 2 967 94 94 VAL N N 126.296 0.300 1 968 95 95 VAL H H 8.744 0.020 1 969 95 95 VAL HA H 4.140 0.020 1 970 95 95 VAL HB H 1.755 0.020 1 971 95 95 VAL HG1 H 0.461 0.020 . 972 95 95 VAL HG2 H 0.295 0.020 . 973 95 95 VAL CA C 60.303 0.300 1 974 95 95 VAL CB C 35.195 0.300 1 975 95 95 VAL CG1 C 20.348 0.300 2 976 95 95 VAL CG2 C 22.938 0.300 2 977 95 95 VAL N N 125.531 0.300 1 978 96 96 TYR H H 8.698 0.020 1 979 96 96 TYR HA H 5.332 0.020 1 980 96 96 TYR HB2 H 1.993 0.020 2 981 96 96 TYR HB3 H 1.852 0.020 2 982 96 96 TYR HD2 H 6.796 0.020 3 983 96 96 TYR HE2 H 6.461 0.020 3 984 96 96 TYR CA C 56.577 0.300 1 985 96 96 TYR CB C 40.620 0.300 1 986 96 96 TYR CD2 C 133.219 0.300 3 987 96 96 TYR CE2 C 117.020 0.300 3 988 96 96 TYR N N 123.577 0.300 1 989 97 97 CYS H H 8.796 0.020 1 990 97 97 CYS HA H 5.548 0.020 1 991 97 97 CYS HB2 H 2.677 0.020 2 992 97 97 CYS HB3 H 2.677 0.020 2 993 97 97 CYS CA C 56.577 0.300 1 994 97 97 CYS CB C 31.786 0.300 1 995 97 97 CYS N N 120.144 0.300 1 996 98 98 GLY H H 8.776 0.020 1 997 98 98 GLY HA2 H 4.288 0.020 2 998 98 98 GLY HA3 H 4.288 0.020 2 999 98 98 GLY CA C 45.798 0.300 1 1000 98 98 GLY N N 112.534 0.300 1 1001 99 99 THR H H 8.168 0.020 1 1002 99 99 THR HA H 4.821 0.020 1 1003 99 99 THR HB H 3.752 0.020 1 1004 99 99 THR HG2 H 0.930 0.020 . 1005 99 99 THR CA C 62.294 0.300 1 1006 99 99 THR CB C 69.781 0.300 1 1007 99 99 THR CG2 C 21.882 0.300 1 1008 99 99 THR N N 119.083 0.300 1 1009 100 100 ILE H H 8.838 0.020 1 1010 100 100 ILE HA H 4.577 0.020 1 1011 100 100 ILE HB H 1.831 0.020 1 1012 100 100 ILE HG12 H 0.868 0.020 2 1013 100 100 ILE HG13 H 1.122 0.020 2 1014 100 100 ILE HG2 H 0.570 0.020 . 1015 100 100 ILE HD1 H 0.599 0.020 . 1016 100 100 ILE CA C 58.583 0.300 1 1017 100 100 ILE CB C 40.509 0.300 1 1018 100 100 ILE CG1 C 26.238 0.300 1 1019 100 100 ILE CG2 C 18.119 0.300 1 1020 100 100 ILE CD1 C 14.049 0.300 1 1021 100 100 ILE N N 122.250 0.300 1 1022 101 101 VAL H H 8.310 0.020 1 1023 101 101 VAL HA H 4.650 0.020 1 1024 101 101 VAL HB H 1.595 0.020 1 1025 101 101 VAL HG1 H 0.682 0.020 . 1026 101 101 VAL HG2 H 0.635 0.020 . 1027 101 101 VAL CA C 60.590 0.300 1 1028 101 101 VAL CB C 32.889 0.300 1 1029 101 101 VAL CG1 C 20.839 0.300 2 1030 101 101 VAL CG2 C 20.608 0.300 2 1031 101 101 VAL N N 120.622 0.300 1 1032 102 102 THR H H 8.867 0.020 1 1033 102 102 THR HA H 4.658 0.020 1 1034 102 102 THR HB H 4.530 0.020 1 1035 102 102 THR HG1 H 4.954 0.020 1 1036 102 102 THR HG2 H 1.048 0.020 . 1037 102 102 THR CA C 60.590 0.300 1 1038 102 102 THR CB C 71.189 0.300 1 1039 102 102 THR CG2 C 21.524 0.300 1 1040 102 102 THR N N 118.661 0.300 1 1041 103 103 GLU H H 9.243 0.020 1 1042 103 103 GLU HA H 3.918 0.020 1 1043 103 103 GLU HB2 H 1.899 0.020 2 1044 103 103 GLU HB3 H 1.899 0.020 2 1045 103 103 GLU HG2 H 2.181 0.020 2 1046 103 103 GLU HG3 H 2.181 0.020 2 1047 103 103 GLU CA C 58.927 0.300 1 1048 103 103 GLU CB C 28.930 0.300 1 1049 103 103 GLU CG C 36.197 0.300 1 1050 103 103 GLU N N 121.906 0.300 1 1051 104 104 GLU H H 7.716 0.020 1 1052 104 104 GLU HA H 4.174 0.020 1 1053 104 104 GLU HB2 H 1.985 0.020 2 1054 104 104 GLU HB3 H 1.691 0.020 2 1055 104 104 GLU HG2 H 2.120 0.020 2 1056 104 104 GLU HG3 H 2.051 0.020 2 1057 104 104 GLU CA C 56.233 0.300 1 1058 104 104 GLU CB C 29.467 0.300 1 1059 104 104 GLU CG C 36.376 0.300 1 1060 104 104 GLU N N 116.013 0.300 1 1061 105 105 GLY H H 8.045 0.020 1 1062 105 105 GLY HA2 H 3.955 0.020 2 1063 105 105 GLY HA3 H 3.367 0.020 2 1064 105 105 GLY CA C 44.705 0.300 1 1065 105 105 GLY N N 109.001 0.300 1 1066 106 106 LYS H H 6.924 0.020 1 1067 106 106 LYS HA H 4.331 0.020 1 1068 106 106 LYS HB2 H 1.667 0.020 2 1069 106 106 LYS HB3 H 1.491 0.020 2 1070 106 106 LYS HG2 H 1.138 0.020 2 1071 106 106 LYS HG3 H 1.104 0.020 2 1072 106 106 LYS HD2 H 1.426 0.020 2 1073 106 106 LYS HD3 H 1.426 0.020 2 1074 106 106 LYS HE2 H 2.750 0.020 2 1075 106 106 LYS HE3 H 2.750 0.020 2 1076 106 106 LYS CA C 54.455 0.300 1 1077 106 106 LYS CB C 33.422 0.300 1 1078 106 106 LYS CG C 24.866 0.300 1 1079 106 106 LYS CD C 28.426 0.300 1 1080 106 106 LYS CE C 41.900 0.300 1 1081 106 106 LYS N N 119.559 0.300 1 1082 107 107 GLU H H 8.371 0.020 1 1083 107 107 GLU HA H 4.954 0.020 1 1084 107 107 GLU HB2 H 1.609 0.020 2 1085 107 107 GLU HB3 H 1.741 0.020 2 1086 107 107 GLU HG2 H 2.130 0.020 2 1087 107 107 GLU HG3 H 1.838 0.020 2 1088 107 107 GLU CA C 55.602 0.300 1 1089 107 107 GLU CB C 31.285 0.300 1 1090 107 107 GLU CG C 37.156 0.300 1 1091 107 107 GLU N N 121.771 0.300 1 1092 108 108 LYS H H 8.946 0.020 1 1093 108 108 LYS HA H 4.440 0.020 1 1094 108 108 LYS HB2 H 1.472 0.020 2 1095 108 108 LYS HB3 H 1.365 0.020 2 1096 108 108 LYS HG2 H 1.046 0.020 2 1097 108 108 LYS HG3 H 1.156 0.020 2 1098 108 108 LYS HD2 H 1.431 0.020 2 1099 108 108 LYS HD3 H 1.431 0.020 2 1100 108 108 LYS HE2 H 2.723 0.020 2 1101 108 108 LYS HE3 H 2.723 0.020 2 1102 108 108 LYS CA C 55.086 0.300 1 1103 108 108 LYS CB C 35.915 0.300 1 1104 108 108 LYS CG C 24.359 0.300 1 1105 108 108 LYS CD C 29.392 0.300 1 1106 108 108 LYS CE C 41.572 0.300 1 1107 108 108 LYS N N 125.216 0.300 1 1108 109 109 LYS H H 8.548 0.020 1 1109 109 109 LYS HA H 4.636 0.020 1 1110 109 109 LYS HB2 H 1.654 0.020 2 1111 109 109 LYS HB3 H 1.621 0.020 2 1112 109 109 LYS HG2 H 1.313 0.020 2 1113 109 109 LYS HG3 H 1.271 0.020 2 1114 109 109 LYS HD2 H 1.528 0.020 2 1115 109 109 LYS HD3 H 1.528 0.020 2 1116 109 109 LYS CA C 55.774 0.300 1 1117 109 109 LYS CB C 32.800 0.300 1 1118 109 109 LYS CG C 24.785 0.300 1 1119 109 109 LYS CD C 28.692 0.300 1 1120 109 109 LYS N N 125.136 0.300 1 1121 110 110 VAL H H 8.850 0.020 1 1122 110 110 VAL HA H 4.076 0.020 1 1123 110 110 VAL HB H 1.881 0.020 1 1124 110 110 VAL HG1 H 0.749 0.020 . 1125 110 110 VAL HG2 H 0.591 0.020 . 1126 110 110 VAL CA C 61.564 0.300 1 1127 110 110 VAL CB C 33.892 0.300 1 1128 110 110 VAL CG1 C 20.929 0.300 2 1129 110 110 VAL CG2 C 20.350 0.300 2 1130 110 110 VAL N N 125.626 0.300 1 1131 111 111 ASN H H 8.711 0.020 1 1132 111 111 ASN HA H 5.288 0.020 1 1133 111 111 ASN HB2 H 2.486 0.020 2 1134 111 111 ASN HB3 H 2.486 0.020 2 1135 111 111 ASN HD21 H 7.533 0.020 2 1136 111 111 ASN HD22 H 6.388 0.020 2 1137 111 111 ASN CA C 53.309 0.300 1 1138 111 111 ASN CB C 40.469 0.300 1 1139 111 111 ASN N N 126.837 0.300 1 1140 111 111 ASN ND2 N 111.927 0.300 1 1141 112 112 ILE H H 8.931 0.020 1 1142 112 112 ILE HA H 4.384 0.020 1 1143 112 112 ILE HB H 1.795 0.020 1 1144 112 112 ILE HG12 H 0.985 0.020 2 1145 112 112 ILE HG13 H 1.372 0.020 2 1146 112 112 ILE HG2 H 0.937 0.020 . 1147 112 112 ILE HD1 H 0.600 0.020 . 1148 112 112 ILE CA C 60.189 0.300 1 1149 112 112 ILE CB C 41.852 0.300 1 1150 112 112 ILE CG1 C 27.193 0.300 1 1151 112 112 ILE CG2 C 17.175 0.300 1 1152 112 112 ILE CD1 C 13.088 0.300 1 1153 112 112 ILE N N 125.729 0.300 1 1154 113 113 ASP H H 8.116 0.020 1 1155 113 113 ASP HA H 5.790 0.020 1 1156 113 113 ASP HB2 H 2.494 0.020 2 1157 113 113 ASP HB3 H 2.181 0.020 2 1158 113 113 ASP CA C 52.205 0.300 1 1159 113 113 ASP CB C 43.521 0.300 1 1160 113 113 ASP N N 122.734 0.300 1 1161 114 114 PHE H H 8.613 0.020 1 1162 114 114 PHE HA H 4.703 0.020 1 1163 114 114 PHE HB2 H 3.251 0.020 2 1164 114 114 PHE HB3 H 2.757 0.020 2 1165 114 114 PHE HD1 H 6.686 0.020 3 1166 114 114 PHE HE1 H 6.862 0.020 3 1167 114 114 PHE HZ H 6.846 0.020 1 1168 114 114 PHE CA C 56.462 0.300 1 1169 114 114 PHE CB C 39.707 0.300 1 1170 114 114 PHE CD1 C 132.913 0.300 3 1171 114 114 PHE CE1 C 129.801 0.300 3 1172 114 114 PHE CZ C 128.516 0.300 1 1173 114 114 PHE N N 116.385 0.300 1 1174 115 115 GLU H H 8.591 0.020 1 1175 115 115 GLU HA H 4.793 0.020 1 1176 115 115 GLU HB2 H 2.006 0.020 2 1177 115 115 GLU HB3 H 1.641 0.020 2 1178 115 115 GLU HG2 H 2.267 0.020 2 1179 115 115 GLU HG3 H 2.267 0.020 2 1180 115 115 GLU CA C 51.703 0.300 1 1181 115 115 GLU CB C 31.125 0.300 1 1182 115 115 GLU CG C 35.304 0.300 1 1183 115 115 GLU N N 124.642 0.300 1 1184 116 116 PRO HA H 4.583 0.020 1 1185 116 116 PRO HB2 H 2.055 0.020 2 1186 116 116 PRO HB3 H 2.055 0.020 2 1187 116 116 PRO HG2 H 1.655 0.020 2 1188 116 116 PRO HG3 H 1.655 0.020 2 1189 116 116 PRO HD2 H 3.540 0.020 2 1190 116 116 PRO HD3 H 3.540 0.020 2 1191 116 116 PRO CA C 62.351 0.300 1 1192 116 116 PRO CB C 30.962 0.300 1 1193 116 116 PRO CG C 27.527 0.300 1 1194 116 116 PRO CD C 50.011 0.300 1 1195 117 117 PHE H H 7.842 0.020 1 1196 117 117 PHE HA H 4.194 0.020 1 1197 117 117 PHE HB2 H 3.156 0.020 2 1198 117 117 PHE HB3 H 2.867 0.020 2 1199 117 117 PHE HD1 H 7.072 0.020 3 1200 117 117 PHE HE1 H 7.045 0.020 3 1201 117 117 PHE HZ H 7.004 0.020 1 1202 117 117 PHE CA C 58.639 0.300 1 1203 117 117 PHE CB C 38.752 0.300 1 1204 117 117 PHE CD1 C 132.614 0.300 3 1205 117 117 PHE CE1 C 131.359 0.300 3 1206 117 117 PHE CZ C 130.074 0.300 1 1207 117 117 PHE N N 116.676 0.300 1 1208 118 118 LYS H H 6.889 0.020 1 1209 118 118 LYS HA H 4.183 0.020 1 1210 118 118 LYS HB2 H 1.422 0.020 2 1211 118 118 LYS HB3 H 1.032 0.020 2 1212 118 118 LYS HG2 H 0.620 0.020 2 1213 118 118 LYS HG3 H 0.620 0.020 2 1214 118 118 LYS HD2 H 0.686 0.020 2 1215 118 118 LYS HD3 H 0.686 0.020 2 1216 118 118 LYS CA C 52.334 0.300 1 1217 118 118 LYS CB C 34.193 0.300 1 1218 118 118 LYS CG C 24.362 0.300 1 1219 118 118 LYS CD C 25.019 0.300 1 1220 118 118 LYS N N 118.589 0.300 1 1221 119 119 PRO HA H 4.523 0.020 1 1222 119 119 PRO HB2 H 1.513 0.020 2 1223 119 119 PRO HB3 H 1.513 0.020 2 1224 119 119 PRO HG2 H 1.183 0.020 2 1225 119 119 PRO HG3 H 1.183 0.020 2 1226 119 119 PRO HD2 H 3.281 0.020 2 1227 119 119 PRO HD3 H 3.281 0.020 2 1228 119 119 PRO CA C 62.616 0.300 1 1229 119 119 PRO CB C 32.172 0.300 1 1230 119 119 PRO CG C 27.137 0.300 1 1231 119 119 PRO CD C 49.695 0.300 1 1232 120 120 ILE H H 7.440 0.020 1 1233 120 120 ILE HA H 3.906 0.020 1 1234 120 120 ILE HB H 1.530 0.020 1 1235 120 120 ILE HG12 H 1.349 0.020 2 1236 120 120 ILE HG13 H 0.955 0.020 2 1237 120 120 ILE HG2 H 0.720 0.020 . 1238 120 120 ILE HD1 H 0.531 0.020 . 1239 120 120 ILE CA C 60.418 0.300 1 1240 120 120 ILE CB C 38.805 0.300 1 1241 120 120 ILE CG1 C 26.853 0.300 1 1242 120 120 ILE CG2 C 18.540 0.300 1 1243 120 120 ILE CD1 C 13.436 0.300 1 1244 120 120 ILE N N 121.968 0.300 1 1245 121 121 ASN H H 8.112 0.020 1 1246 121 121 ASN HA H 4.632 0.020 1 1247 121 121 ASN HB2 H 2.673 0.020 2 1248 121 121 ASN HB3 H 2.437 0.020 2 1249 121 121 ASN HD21 H 6.572 0.020 2 1250 121 121 ASN HD22 H 7.341 0.020 2 1251 121 121 ASN CA C 53.882 0.300 1 1252 121 121 ASN CB C 39.298 0.300 1 1253 121 121 ASN N N 120.951 0.300 1 1254 121 121 ASN ND2 N 113.096 0.300 1 1255 122 122 GLN H H 7.009 0.020 1 1256 122 122 GLN HA H 4.412 0.020 1 1257 122 122 GLN HB2 H 1.725 0.020 2 1258 122 122 GLN HB3 H 1.725 0.020 2 1259 122 122 GLN HG2 H 2.116 0.020 2 1260 122 122 GLN HG3 H 2.024 0.020 2 1261 122 122 GLN HE21 H 7.389 0.020 2 1262 122 122 GLN HE22 H 6.708 0.020 2 1263 122 122 GLN CA C 54.398 0.300 1 1264 122 122 GLN CB C 31.486 0.300 1 1265 122 122 GLN CG C 33.580 0.300 1 1266 122 122 GLN N N 118.826 0.300 1 1267 122 122 GLN NE2 N 112.607 0.300 1 1268 123 123 PHE H H 8.335 0.020 1 1269 123 123 PHE HA H 4.714 0.020 1 1270 123 123 PHE HB2 H 2.627 0.020 2 1271 123 123 PHE HB3 H 2.805 0.020 2 1272 123 123 PHE HD1 H 7.085 0.020 3 1273 123 123 PHE HE1 H 7.041 0.020 3 1274 123 123 PHE CA C 57.207 0.300 1 1275 123 123 PHE CB C 39.718 0.300 1 1276 123 123 PHE CD1 C 132.608 0.300 3 1277 123 123 PHE CE1 C 131.047 0.300 3 1278 123 123 PHE N N 122.795 0.300 1 1279 124 124 MET H H 7.992 0.020 1 1280 124 124 MET HA H 3.984 0.020 1 1281 124 124 MET HB2 H 1.638 0.020 2 1282 124 124 MET HB3 H 1.500 0.020 2 1283 124 124 MET HG2 H 2.205 0.020 2 1284 124 124 MET HG3 H 2.149 0.020 2 1285 124 124 MET HE H 1.951 0.020 . 1286 124 124 MET CA C 54.799 0.300 1 1287 124 124 MET CB C 37.330 0.300 1 1288 124 124 MET CG C 32.393 0.300 1 1289 124 124 MET CE C 17.794 0.300 1 1290 124 124 MET N N 126.990 0.300 1 1291 125 125 TYR H H 7.552 0.020 1 1292 125 125 TYR HA H 4.904 0.020 1 1293 125 125 TYR HB2 H 2.668 0.020 2 1294 125 125 TYR HB3 H 2.312 0.020 2 1295 125 125 TYR HD1 H 6.670 0.020 3 1296 125 125 TYR HE1 H 6.403 0.020 3 1297 125 125 TYR CA C 56.749 0.300 1 1298 125 125 TYR CB C 41.153 0.300 1 1299 125 125 TYR CD1 C 132.586 0.300 3 1300 125 125 TYR CE1 C 117.777 0.300 3 1301 125 125 TYR N N 122.216 0.300 1 1302 126 126 PHE H H 8.271 0.020 1 1303 126 126 PHE HA H 4.075 0.020 1 1304 126 126 PHE HB2 H 2.378 0.020 2 1305 126 126 PHE HB3 H 2.289 0.020 2 1306 126 126 PHE HD1 H 6.597 0.020 3 1307 126 126 PHE HE1 H 6.999 0.020 3 1308 126 126 PHE HZ H 6.818 0.020 1 1309 126 126 PHE CA C 56.405 0.300 1 1310 126 126 PHE CB C 44.419 0.300 1 1311 126 126 PHE CD1 C 131.343 0.300 3 1312 126 126 PHE CE1 C 131.086 0.300 3 1313 126 126 PHE CZ C 129.155 0.300 1 1314 126 126 PHE N N 124.584 0.300 1 1315 127 127 CYS H H 8.442 0.020 1 1316 127 127 CYS HA H 4.796 0.020 1 1317 127 127 CYS HB2 H 2.744 0.020 2 1318 127 127 CYS HB3 H 2.368 0.020 2 1319 127 127 CYS CA C 57.840 0.300 1 1320 127 127 CYS CB C 25.931 0.300 1 1321 127 127 CYS N N 124.011 0.300 1 1322 128 128 ASP H H 8.907 0.020 1 1323 128 128 ASP HA H 5.006 0.020 1 1324 128 128 ASP HB2 H 3.129 0.020 2 1325 128 128 ASP HB3 H 2.604 0.020 2 1326 128 128 ASP CA C 52.506 0.300 1 1327 128 128 ASP CB C 44.396 0.300 1 1328 128 128 ASP N N 127.486 0.300 1 1329 129 129 ASN H H 9.136 0.020 1 1330 129 129 ASN HA H 4.664 0.020 1 1331 129 129 ASN HB2 H 2.447 0.020 2 1332 129 129 ASN HB3 H 2.892 0.020 2 1333 129 129 ASN HD21 H 7.334 0.020 2 1334 129 129 ASN HD22 H 6.527 0.020 2 1335 129 129 ASN CA C 52.735 0.300 1 1336 129 129 ASN CB C 37.902 0.300 1 1337 129 129 ASN N N 119.092 0.300 1 1338 129 129 ASN ND2 N 110.722 0.300 1 1339 130 130 LYS H H 7.115 0.020 1 1340 130 130 LYS HA H 4.163 0.020 1 1341 130 130 LYS HB2 H 1.555 0.020 2 1342 130 130 LYS HB3 H 1.451 0.020 2 1343 130 130 LYS HG2 H 0.344 0.020 2 1344 130 130 LYS HG3 H 0.954 0.020 2 1345 130 130 LYS HD2 H 1.197 0.020 2 1346 130 130 LYS HD3 H 1.197 0.020 2 1347 130 130 LYS CA C 54.226 0.300 1 1348 130 130 LYS CB C 34.092 0.300 1 1349 130 130 LYS CG C 22.002 0.300 1 1350 130 130 LYS CD C 28.666 0.300 1 1351 130 130 LYS N N 114.367 0.300 1 1352 131 131 PHE H H 9.291 0.020 1 1353 131 131 PHE HA H 4.515 0.020 1 1354 131 131 PHE HB2 H 2.513 0.020 2 1355 131 131 PHE HB3 H 2.304 0.020 2 1356 131 131 PHE HD1 H 7.247 0.020 3 1357 131 131 PHE HE1 H 6.941 0.020 3 1358 131 131 PHE HZ H 6.557 0.020 1 1359 131 131 PHE CA C 57.150 0.300 1 1360 131 131 PHE CB C 39.089 0.300 1 1361 131 131 PHE CD1 C 132.600 0.300 3 1362 131 131 PHE CE1 C 131.364 0.300 3 1363 131 131 PHE CZ C 128.759 0.300 1 1364 131 131 PHE N N 121.117 0.300 1 1365 132 132 HIS H H 9.026 0.020 1 1366 132 132 HIS HA H 4.383 0.020 1 1367 132 132 HIS HB2 H 2.425 0.020 2 1368 132 132 HIS HB3 H 3.389 0.020 2 1369 132 132 HIS HD2 H 6.872 0.020 1 1370 132 132 HIS CA C 56.003 0.300 1 1371 132 132 HIS CB C 28.343 0.300 1 1372 132 132 HIS CD2 C 117.267 0.300 1 1373 132 132 HIS N N 121.897 0.300 1 1374 133 133 THR H H 8.700 0.020 1 1375 133 133 THR HA H 4.612 0.020 1 1376 133 133 THR HB H 4.394 0.020 1 1377 133 133 THR HG2 H 0.753 0.020 . 1378 133 133 THR CA C 61.679 0.300 1 1379 133 133 THR CB C 73.856 0.300 1 1380 133 133 THR CG2 C 21.703 0.300 1 1381 133 133 THR N N 117.915 0.300 1 1382 134 134 GLU H H 10.805 0.020 1 1383 134 134 GLU HA H 3.979 0.020 1 1384 134 134 GLU HB2 H 1.977 0.020 2 1385 134 134 GLU HB3 H 1.854 0.020 2 1386 134 134 GLU HG2 H 2.335 0.020 2 1387 134 134 GLU HG3 H 2.335 0.020 2 1388 134 134 GLU CA C 60.533 0.300 1 1389 134 134 GLU CB C 27.503 0.300 1 1390 134 134 GLU CG C 35.260 0.300 1 1391 134 134 GLU N N 129.072 0.300 1 1392 135 135 ALA H H 8.590 0.020 1 1393 135 135 ALA HA H 4.071 0.020 1 1394 135 135 ALA HB H 1.295 0.020 . 1395 135 135 ALA CA C 54.513 0.300 1 1396 135 135 ALA CB C 18.761 0.300 1 1397 135 135 ALA N N 122.099 0.300 1 1398 136 136 LEU H H 7.471 0.020 1 1399 136 136 LEU HA H 4.054 0.020 1 1400 136 136 LEU HB2 H 1.889 0.020 2 1401 136 136 LEU HB3 H 1.265 0.020 2 1402 136 136 LEU HG H 1.737 0.020 1 1403 136 136 LEU HD1 H 0.906 0.020 . 1404 136 136 LEU HD2 H 0.824 0.020 . 1405 136 136 LEU CA C 56.577 0.300 1 1406 136 136 LEU CB C 41.311 0.300 1 1407 136 136 LEU CG C 26.867 0.300 1 1408 136 136 LEU CD1 C 26.509 0.300 2 1409 136 136 LEU CD2 C 21.939 0.300 2 1410 136 136 LEU N N 116.720 0.300 1 1411 137 137 THR H H 8.044 0.020 1 1412 137 137 THR HA H 4.005 0.020 1 1413 137 137 THR HB H 3.600 0.020 1 1414 137 137 THR HG2 H 1.046 0.020 . 1415 137 137 THR CA C 66.610 0.300 1 1416 137 137 THR CB C 67.980 0.300 1 1417 137 137 THR CG2 C 22.181 0.300 1 1418 137 137 THR N N 117.177 0.300 1 1419 138 138 ALA H H 7.695 0.020 1 1420 138 138 ALA HA H 4.001 0.020 1 1421 138 138 ALA HB H 1.311 0.020 . 1422 138 138 ALA CA C 54.914 0.300 1 1423 138 138 ALA CB C 17.497 0.300 1 1424 138 138 ALA N N 124.719 0.300 1 1425 139 139 LEU H H 7.345 0.020 1 1426 139 139 LEU HA H 3.999 0.020 1 1427 139 139 LEU HB2 H 1.673 0.020 2 1428 139 139 LEU HB3 H 1.742 0.020 2 1429 139 139 LEU HG H 1.599 0.020 1 1430 139 139 LEU HD1 H 0.693 0.020 . 1431 139 139 LEU HD2 H 0.619 0.020 . 1432 139 139 LEU CA C 57.494 0.300 1 1433 139 139 LEU CB C 41.812 0.300 1 1434 139 139 LEU CG C 26.733 0.300 1 1435 139 139 LEU CD1 C 24.969 0.300 2 1436 139 139 LEU CD2 C 24.635 0.300 2 1437 139 139 LEU N N 120.059 0.300 1 1438 140 140 LEU H H 7.748 0.020 1 1439 140 140 LEU HA H 3.957 0.020 1 1440 140 140 LEU HB2 H 1.662 0.020 2 1441 140 140 LEU HB3 H 1.576 0.020 2 1442 140 140 LEU HG H 1.275 0.020 1 1443 140 140 LEU HD1 H 0.707 0.020 . 1444 140 140 LEU HD2 H 0.584 0.020 . 1445 140 140 LEU CA C 56.978 0.300 1 1446 140 140 LEU CB C 41.239 0.300 1 1447 140 140 LEU CG C 29.634 0.300 1 1448 140 140 LEU CD1 C 24.359 0.300 2 1449 140 140 LEU CD2 C 29.981 0.300 2 1450 140 140 LEU N N 117.771 0.300 1 1451 141 141 SER H H 7.807 0.020 1 1452 141 141 SER HA H 4.107 0.020 1 1453 141 141 SER HB2 H 3.793 0.020 2 1454 141 141 SER HB3 H 3.793 0.020 2 1455 141 141 SER CA C 60.647 0.300 1 1456 141 141 SER CB C 62.650 0.300 1 1457 141 141 SER N N 114.778 0.300 1 1458 142 142 ASP H H 7.878 0.020 1 1459 142 142 ASP HA H 4.358 0.020 1 1460 142 142 ASP HB2 H 2.618 0.020 2 1461 142 142 ASP HB3 H 2.618 0.020 2 1462 142 142 ASP CA C 56.061 0.300 1 1463 142 142 ASP CB C 40.609 0.300 1 1464 142 142 ASP N N 121.827 0.300 1 1465 143 143 LEU H H 7.846 0.020 1 1466 143 143 LEU HA H 3.972 0.020 1 1467 143 143 LEU HB2 H 1.684 0.020 2 1468 143 143 LEU HB3 H 1.349 0.020 2 1469 143 143 LEU HG H 0.719 0.020 1 1470 143 143 LEU HD1 H 0.701 0.020 . 1471 143 143 LEU HD2 H 0.679 0.020 . 1472 143 143 LEU CA C 56.462 0.300 1 1473 143 143 LEU CB C 42.214 0.300 1 1474 143 143 LEU CG C 25.572 0.300 1 1475 143 143 LEU CD1 C 23.384 0.300 2 1476 143 143 LEU CD2 C 23.384 0.300 2 1477 143 143 LEU N N 120.220 0.300 1 1478 144 144 GLU H H 7.862 0.020 1 1479 144 144 GLU HA H 4.401 0.020 1 1480 144 144 GLU HB2 H 2.937 0.020 2 1481 144 144 GLU HB3 H 2.937 0.020 2 1482 144 144 GLU CA C 55.946 0.300 1 1483 144 144 GLU CB C 29.057 0.300 1 1484 144 144 GLU N N 117.664 0.300 1 stop_ save_