data_5532 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the Tsg101 UEV Domain in Complex with a HIV-1 PTAP "Late Domain" Peptide ; _BMRB_accession_number 5532 _BMRB_flat_file_name bmr5532.str _Entry_type original _Submission_date 2002-09-13 _Accession_date 2002-09-13 _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 Pornillos O. . . 2 Alam S. L. . 3 Davis D. R. . 4 Sundquist W. I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 871 "13C chemical shifts" 646 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-21 original author . stop_ _Original_release_date 2003-02-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Tsg101 UEV Domain in Complex with the PTAP Motif of the HIV-1 p6 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22289677 _PubMed_ID 12379843 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pornillos O. . . 2 Alam S. L. . 3 Davis D. R. . 4 Sundquist W. I. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 9 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 812 _Page_last 817 _Year 2002 _Details . loop_ _Keyword 'Tsg101 UEV domain' 'virus budding' 'vacuolar protein sorting' 'late domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_TSG101_Gag _Saveframe_category molecular_system _Mol_system_name 'Tumor Susceptibility gene 101 protein/Gag Polyprotein' _Abbreviation_common 'Tumor Susceptibility gene 101 protein/Gag Polyprotein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tumor Susceptibility gene 101 protein' $TSG101 'Gag Polyprotein' $Gag stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TSG101 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Tumor Susceptibility gene 101 protein' _Abbreviation_common 'Tumor Susceptibility gene 101 protein' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; MAVSESQLKKMVSKYKYRDL TVRETVNVITLYKDLKPVLD SYVFNDGSSRELMNLTGTIP VPYRGNTYNIPICLWLLDTY PYNPPICFVKPTSSMTIKTG KHVDANGKIYLPYLHEWKHP QSDLLGLIQVMIVVFGDEPP VFSRP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 VAL 4 SER 5 GLU 6 SER 7 GLN 8 LEU 9 LYS 10 LYS 11 MET 12 VAL 13 SER 14 LYS 15 TYR 16 LYS 17 TYR 18 ARG 19 ASP 20 LEU 21 THR 22 VAL 23 ARG 24 GLU 25 THR 26 VAL 27 ASN 28 VAL 29 ILE 30 THR 31 LEU 32 TYR 33 LYS 34 ASP 35 LEU 36 LYS 37 PRO 38 VAL 39 LEU 40 ASP 41 SER 42 TYR 43 VAL 44 PHE 45 ASN 46 ASP 47 GLY 48 SER 49 SER 50 ARG 51 GLU 52 LEU 53 MET 54 ASN 55 LEU 56 THR 57 GLY 58 THR 59 ILE 60 PRO 61 VAL 62 PRO 63 TYR 64 ARG 65 GLY 66 ASN 67 THR 68 TYR 69 ASN 70 ILE 71 PRO 72 ILE 73 CYS 74 LEU 75 TRP 76 LEU 77 LEU 78 ASP 79 THR 80 TYR 81 PRO 82 TYR 83 ASN 84 PRO 85 PRO 86 ILE 87 CYS 88 PHE 89 VAL 90 LYS 91 PRO 92 THR 93 SER 94 SER 95 MET 96 THR 97 ILE 98 LYS 99 THR 100 GLY 101 LYS 102 HIS 103 VAL 104 ASP 105 ALA 106 ASN 107 GLY 108 LYS 109 ILE 110 TYR 111 LEU 112 PRO 113 TYR 114 LEU 115 HIS 116 GLU 117 TRP 118 LYS 119 HIS 120 PRO 121 GLN 122 SER 123 ASP 124 LEU 125 LEU 126 GLY 127 LEU 128 ILE 129 GLN 130 VAL 131 MET 132 ILE 133 VAL 134 VAL 135 PHE 136 GLY 137 ASP 138 GLU 139 PRO 140 PRO 141 VAL 142 PHE 143 SER 144 ARG 145 PRO stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT Q99816 'Tumor susceptibility gene 101 protein' 100.00 390 100.00 100.00 4.53e-81 REF XP_508319 'PREDICTED: tumor susceptibility gene 101 isoform 2 [Pan troglodytes]' 100.00 403 100.00 100.00 1.34e-80 REF XP_001505015 'PREDICTED: tumor susceptibility gene 101 [Equus caballus]' 100.00 390 98.62 99.31 3.53e-80 REF XP_001173373 'PREDICTED: tumor susceptibility gene 101 isoform 1 [Pan troglodytes]' 100.00 390 100.00 100.00 4.53e-81 REF NP_006283 'tumor susceptibility gene 101 [Homo sapiens]' 100.00 390 100.00 100.00 4.53e-81 REF NP_001091464 'tumor susceptibility gene 101 [Bos taurus]' 100.00 391 98.62 99.31 3.11e-80 GenBank AAX36281 'tumor susceptibility gene 101 [synthetic construct]' 100.00 390 99.31 99.31 1.98e-80 GenBank AAX32198 'tumor susceptibility gene 101 [synthetic construct]' 100.00 390 100.00 100.00 4.88e-81 GenBank AAI33616 'TSG101 protein [Bos taurus]' 100.00 391 98.62 99.31 3.11e-80 GenBank AAH02487 'Tumor susceptibility gene 101 [Homo sapiens]' 100.00 390 100.00 100.00 4.88e-81 GenBank AAC52083 'tumor susceptibility protein [Homo sapiens]' 100.00 390 100.00 100.00 4.53e-81 EMBL CAH90615 'hypothetical protein [Pongo abelii]' 100.00 365 100.00 100.00 1.06e-80 PDB 2F0R 'Crystallographic Structure Of Human Tsg101 Uev Domain' 100.00 159 100.00 100.00 6.12e-80 PDB 1M4Q 'Structure Of The Tsg101 Uev Domain In Complex With A Hiv-1 Ptap "late Domain" Peptide, Cns Ensemble' 100.00 145 100.00 100.00 1.07e-79 PDB 1M4P 'Structure Of The Tsg101 Uev Domain In Complex With A Hiv-1 Ptap "late Domain" Peptide, Dyana Ensemble' 100.00 145 100.00 100.00 1.07e-79 PDB 1KPQ 'Structure Of The Tsg101 Uev Domain' 100.00 145 100.00 100.00 1.07e-79 PDB 1KPP 'Structure Of The Tsg101 Uev Domain' 100.00 145 100.00 100.00 1.07e-79 stop_ save_ save_Gag _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gag _Abbreviation_common Gag _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence PEPTAPPEE loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLU 3 PRO 4 THR 5 ALA 6 PRO 7 PRO 8 GLU 9 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TSG101 . . . . . . $Gag . . . . . . 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 $TSG101 'recombinant technology' . . . . . $Gag 'chemical synthesis' . . . . . 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 $TSG101 1.5 mM . $Gag 1.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 1.2 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P., Mumenthaler, C. & Wuthrich, K.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N/1H_FHSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H FHSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_13C/1H_CT-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H CT-HSQC' _Sample_label . save_ save_3D_15N-edited_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _Sample_label . save_ save_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_(H)C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _Sample_label . save_ save_3D_13C-edited_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label . save_ save_3D_15N-edited_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_F1-edited/F2-filtered_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'F1-edited/F2-filtered NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N/1H FHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/1H CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'F1-edited/F2-filtered NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . n/a temperature 291 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Tumor Susceptibility gene 101 protein' _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 ALA C C 177.136 0.000 1 2 . 2 ALA CA C 51.482 0.024 1 3 . 2 ALA CB C 19.392 0.019 1 4 . 2 ALA HA H 4.125 0.007 1 5 . 2 ALA H H 8.455 0.008 1 6 . 2 ALA N N 120.606 0.055 1 7 . 2 ALA HB H 1.454 0.004 1 8 . 3 VAL C C 174.762 0.000 1 9 . 3 VAL CA C 61.843 0.022 1 10 . 3 VAL CB C 32.739 0.037 1 11 . 3 VAL CG1 C 21.054 0.002 1 12 . 3 VAL CG2 C 21.162 0.056 1 13 . 3 VAL HA H 4.162 0.011 1 14 . 3 VAL HB H 1.892 0.006 1 15 . 3 VAL H H 7.906 0.010 1 16 . 3 VAL N N 118.836 0.047 1 17 . 3 VAL HG1 H 0.919 0.001 1 18 . 3 VAL HG2 H 0.874 0.019 1 19 . 4 SER C C 175.106 0.000 1 20 . 4 SER CA C 56.586 0.023 1 21 . 4 SER CB C 65.093 0.041 1 22 . 4 SER HA H 4.528 0.005 1 23 . 4 SER HB2 H 3.908 0.006 1 24 . 4 SER HB3 H 4.217 0.004 1 25 . 4 SER H H 8.430 0.012 1 26 . 4 SER N N 121.260 0.036 1 27 . 5 GLU C C 178.068 0.000 1 28 . 5 GLU CA C 60.111 0.027 1 29 . 5 GLU CB C 28.701 0.009 1 30 . 5 GLU CG C 35.928 0.039 1 31 . 5 GLU HA H 3.753 0.008 1 32 . 5 GLU HB2 H 1.999 0.001 1 33 . 5 GLU HB3 H 2.038 0.001 1 34 . 5 GLU HG2 H 2.116 0.005 1 35 . 5 GLU HG3 H 2.241 0.005 1 36 . 5 GLU H H 9.054 0.009 1 37 . 5 GLU N N 123.004 0.030 1 38 . 6 SER C C 177.297 0.000 1 39 . 6 SER CA C 61.428 0.044 1 40 . 6 SER CB C 62.110 0.053 1 41 . 6 SER HA H 4.013 0.007 1 42 . 6 SER H H 8.363 0.010 1 43 . 6 SER N N 113.239 0.036 1 44 . 6 SER HB2 H 3.823 0.005 1 45 . 7 GLN C C 179.056 0.000 1 46 . 7 GLN CA C 58.422 0.026 1 47 . 7 GLN CB C 28.278 0.045 1 48 . 7 GLN CG C 33.933 0.036 1 49 . 7 GLN HA H 3.996 0.002 1 50 . 7 GLN HB2 H 2.189 0.073 1 51 . 7 GLN HB3 H 2.023 0.078 1 52 . 7 GLN HE21 H 7.370 0.011 1 53 . 7 GLN HE22 H 6.870 0.010 1 54 . 7 GLN H H 7.735 0.013 1 55 . 7 GLN N N 122.436 0.012 1 56 . 7 GLN NE2 N 111.567 0.041 1 57 . 7 GLN HG2 H 2.348 0.005 1 58 . 8 LEU C C 178.136 0.000 1 59 . 8 LEU CA C 57.855 0.035 1 60 . 8 LEU CB C 42.506 0.036 1 61 . 8 LEU CD1 C 25.134 0.000 1 62 . 8 LEU CD2 C 25.846 0.009 1 63 . 8 LEU CG C 27.059 0.040 1 64 . 8 LEU HA H 3.996 0.017 1 65 . 8 LEU HB2 H 1.369 0.004 1 66 . 8 LEU HB3 H 1.792 0.007 1 67 . 8 LEU HG H 1.603 0.005 1 68 . 8 LEU H H 8.123 0.010 1 69 . 8 LEU N N 121.453 0.020 1 70 . 8 LEU HD1 H 0.780 0.000 1 71 . 8 LEU HD2 H 0.758 0.005 1 72 . 9 LYS C C 178.721 0.000 1 73 . 9 LYS CA C 59.909 0.017 1 74 . 9 LYS CB C 32.348 0.015 1 75 . 9 LYS CD C 29.558 0.063 1 76 . 9 LYS CG C 26.756 0.065 1 77 . 9 LYS HA H 3.519 0.005 1 78 . 9 LYS HB2 H 1.745 0.002 1 79 . 9 LYS HB3 H 1.806 0.000 1 80 . 9 LYS HG2 H 1.264 0.004 1 81 . 9 LYS HG3 H 1.540 0.016 1 82 . 9 LYS H H 8.227 0.010 1 83 . 9 LYS N N 116.467 0.010 1 84 . 9 LYS HD2 H 1.596 0.007 1 85 . 9 LYS HE2 H 2.833 0.000 1 86 . 10 LYS C C 179.619 0.000 1 87 . 10 LYS CA C 58.727 0.046 1 88 . 10 LYS CB C 32.182 0.026 1 89 . 10 LYS CD C 29.027 0.036 1 90 . 10 LYS CG C 24.986 0.031 1 91 . 10 LYS HA H 4.009 0.003 1 92 . 10 LYS HG2 H 1.393 0.004 1 93 . 10 LYS HG3 H 1.541 0.010 1 94 . 10 LYS H H 7.123 0.010 1 95 . 10 LYS N N 116.631 0.024 1 96 . 10 LYS HB2 H 1.886 0.008 1 97 . 10 LYS HD2 H 1.633 0.004 1 98 . 10 LYS HE2 H 2.943 0.009 1 99 . 11 MET C C 177.252 0.000 1 100 . 11 MET CA C 59.543 0.061 1 101 . 11 MET CB C 33.965 0.039 1 102 . 11 MET CE C 16.879 0.017 1 103 . 11 MET CG C 32.700 0.031 1 104 . 11 MET HA H 4.018 0.005 1 105 . 11 MET HB2 H 1.981 0.004 1 106 . 11 MET HB3 H 2.316 0.011 1 107 . 11 MET HG2 H 2.409 0.009 1 108 . 11 MET HG3 H 2.798 0.004 1 109 . 11 MET H H 7.836 0.015 1 110 . 11 MET N N 119.729 0.015 1 111 . 11 MET HE H 1.884 0.002 1 112 . 12 VAL C C 177.009 0.000 1 113 . 12 VAL CA C 59.127 0.048 1 114 . 12 VAL CB C 29.545 0.026 1 115 . 12 VAL CG1 C 21.354 0.016 1 116 . 12 VAL CG2 C 19.105 0.016 1 117 . 12 VAL HA H 4.434 0.005 1 118 . 12 VAL HB H 1.818 0.012 1 119 . 12 VAL H H 7.213 0.010 1 120 . 12 VAL N N 106.795 0.010 1 121 . 12 VAL HG1 H 0.201 0.004 1 122 . 12 VAL HG2 H 0.683 0.006 1 123 . 13 SER C C 176.236 0.000 1 124 . 13 SER CA C 62.097 0.008 1 125 . 13 SER CB C 63.277 0.030 1 126 . 13 SER HA H 4.049 0.006 1 127 . 13 SER HB2 H 4.011 0.005 1 128 . 13 SER HB3 H 4.108 0.007 1 129 . 13 SER H H 7.018 0.012 1 130 . 13 SER N N 115.990 0.030 1 131 . 14 LYS C C 176.910 0.000 1 132 . 14 LYS CA C 55.421 0.033 1 133 . 14 LYS CB C 31.257 0.019 1 134 . 14 LYS CD C 28.471 0.093 1 135 . 14 LYS CG C 24.907 0.014 1 136 . 14 LYS HA H 4.569 0.005 1 137 . 14 LYS HB2 H 1.782 0.003 1 138 . 14 LYS HB3 H 2.118 0.004 1 139 . 14 LYS HG2 H 1.430 0.001 1 140 . 14 LYS HG3 H 1.535 0.001 1 141 . 14 LYS H H 8.664 0.010 1 142 . 14 LYS N N 118.086 0.041 1 143 . 14 LYS HD2 H 1.692 0.005 1 144 . 14 LYS HE2 H 3.009 0.000 1 145 . 15 TYR C C 176.000 0.000 1 146 . 15 TYR CA C 59.560 0.035 1 147 . 15 TYR CB C 34.923 0.017 1 148 . 15 TYR CD1 C 131.456 0.038 1 149 . 15 TYR CE1 C 120.194 0.018 1 150 . 15 TYR HA H 4.258 0.008 1 151 . 15 TYR HH H 9.456 0.014 1 152 . 15 TYR H H 8.328 0.011 1 153 . 15 TYR N N 125.183 0.028 1 154 . 15 TYR HB2 H 3.480 0.009 1 155 . 15 TYR HD1 H 7.428 0.008 1 156 . 15 TYR HE1 H 6.793 0.005 1 157 . 16 LYS C C 177.137 0.000 1 158 . 16 LYS CA C 58.808 0.041 1 159 . 16 LYS CB C 32.906 0.031 1 160 . 16 LYS CD C 28.825 0.029 1 161 . 16 LYS CE C 41.935 0.023 1 162 . 16 LYS CG C 25.017 0.072 1 163 . 16 LYS HA H 3.791 0.007 1 164 . 16 LYS HB2 H 1.128 0.009 1 165 . 16 LYS HB3 H 1.492 0.007 1 166 . 16 LYS HG2 H 0.693 0.007 1 167 . 16 LYS HG3 H 1.040 0.004 1 168 . 16 LYS H H 7.866 0.010 1 169 . 16 LYS N N 121.634 0.034 1 170 . 16 LYS HD2 H 1.405 0.005 1 171 . 16 LYS HE2 H 2.792 0.005 1 172 . 17 TYR C C 177.371 0.000 1 173 . 17 TYR CA C 54.781 0.047 1 174 . 17 TYR CB C 34.995 0.028 1 175 . 17 TYR CD1 C 134.186 0.031 1 176 . 17 TYR CE1 C 117.854 0.028 1 177 . 17 TYR HA H 4.977 0.009 1 178 . 17 TYR HB2 H 3.166 0.021 1 179 . 17 TYR HB3 H 3.744 0.011 1 180 . 17 TYR H H 10.030 0.013 1 181 . 17 TYR N N 122.433 0.034 1 182 . 17 TYR HD1 H 7.164 0.009 1 183 . 17 TYR HE1 H 6.641 0.003 1 184 . 18 ARG C C 177.438 0.000 1 185 . 18 ARG CA C 60.864 0.035 1 186 . 18 ARG CB C 30.691 0.023 1 187 . 18 ARG CD C 43.586 0.053 1 188 . 18 ARG CG C 26.308 0.065 1 189 . 18 ARG HA H 3.728 0.007 1 190 . 18 ARG HB2 H 1.859 0.005 1 191 . 18 ARG HB3 H 2.032 0.003 1 192 . 18 ARG HD2 H 3.230 0.003 1 193 . 18 ARG HD3 H 3.299 0.006 1 194 . 18 ARG HG2 H 1.551 0.006 1 195 . 18 ARG HG3 H 1.855 0.006 1 196 . 18 ARG H H 7.661 0.011 1 197 . 18 ARG N N 122.974 0.016 1 198 . 19 ASP C C 179.453 0.000 1 199 . 19 ASP CA C 57.849 0.062 1 200 . 19 ASP CB C 39.221 0.021 1 201 . 19 ASP HA H 4.340 0.006 1 202 . 19 ASP H H 8.680 0.014 1 203 . 19 ASP N N 118.335 0.027 1 204 . 19 ASP HB2 H 2.725 0.004 1 205 . 20 LEU C C 179.593 0.000 1 206 . 20 LEU CA C 57.912 0.024 1 207 . 20 LEU CB C 42.086 0.041 1 208 . 20 LEU CD1 C 22.707 0.031 1 209 . 20 LEU CD2 C 25.614 0.052 1 210 . 20 LEU CG C 26.803 0.047 1 211 . 20 LEU HA H 4.157 0.007 1 212 . 20 LEU HB2 H 1.428 0.009 1 213 . 20 LEU HB3 H 1.915 0.006 1 214 . 20 LEU HG H 1.905 0.004 1 215 . 20 LEU H H 8.236 0.010 1 216 . 20 LEU N N 120.325 0.012 1 217 . 20 LEU HD1 H 0.951 0.008 1 218 . 20 LEU HD2 H 0.764 0.005 1 219 . 21 THR C C 177.531 0.000 1 220 . 21 THR CA C 68.881 0.031 1 221 . 21 THR CB C 68.075 0.084 1 222 . 21 THR CG2 C 21.288 0.021 1 223 . 21 THR HA H 3.848 0.011 1 224 . 21 THR HB H 4.301 0.006 1 225 . 21 THR HG1 H 3.988 0.016 1 226 . 21 THR H H 8.106 0.010 1 227 . 21 THR N N 116.390 0.015 1 228 . 21 THR HG2 H 0.954 0.008 1 229 . 22 VAL CA C 67.780 0.028 1 230 . 22 VAL CB C 31.646 0.050 1 231 . 22 VAL CG1 C 24.037 0.035 1 232 . 22 VAL CG2 C 21.383 0.058 1 233 . 22 VAL HA H 3.260 0.005 1 234 . 22 VAL HB H 2.146 0.004 1 235 . 22 VAL H H 8.758 0.010 1 236 . 22 VAL N N 123.437 0.008 1 237 . 22 VAL HG1 H 0.850 0.006 1 238 . 22 VAL HG2 H 0.875 0.003 1 239 . 23 ARG C C 178.967 0.000 1 240 . 23 ARG CA C 59.334 0.018 1 241 . 23 ARG CB C 29.813 0.022 1 242 . 23 ARG CD C 43.212 0.012 1 243 . 23 ARG CG C 26.574 0.032 1 244 . 23 ARG HA H 3.923 0.007 1 245 . 23 ARG HB2 H 1.954 0.004 1 246 . 23 ARG HB3 H 2.010 0.009 1 247 . 23 ARG HD2 H 3.212 0.004 1 248 . 23 ARG HD3 H 3.262 0.005 1 249 . 23 ARG H H 7.984 0.011 1 250 . 23 ARG N N 118.332 0.044 1 251 . 23 ARG HG2 H 1.719 0.004 1 252 . 24 GLU C C 179.163 0.000 1 253 . 24 GLU CA C 61.146 0.044 1 254 . 24 GLU CB C 29.763 0.032 1 255 . 24 GLU CG C 37.235 0.038 1 256 . 24 GLU HA H 4.138 0.003 1 257 . 24 GLU HB2 H 2.644 0.006 1 258 . 24 GLU HB3 H 2.157 0.005 1 259 . 24 GLU HG2 H 2.960 0.009 1 260 . 24 GLU HG3 H 2.464 0.004 1 261 . 24 GLU H H 7.932 0.017 1 262 . 24 GLU N N 115.876 0.019 1 263 . 25 THR C C 176.296 0.000 1 264 . 25 THR CA C 68.415 0.058 1 265 . 25 THR CB C 67.251 0.039 1 266 . 25 THR CG2 C 22.258 0.057 1 267 . 25 THR HA H 3.599 0.008 1 268 . 25 THR HB H 4.117 0.007 1 269 . 25 THR HG1 H 3.911 0.005 1 270 . 25 THR H H 7.967 0.008 1 271 . 25 THR N N 116.214 0.039 1 272 . 25 THR HG2 H 0.994 0.010 1 273 . 26 VAL C C 178.999 0.000 1 274 . 26 VAL CA C 66.857 0.039 1 275 . 26 VAL CB C 31.386 0.039 1 276 . 26 VAL CG1 C 23.212 0.023 1 277 . 26 VAL CG2 C 20.956 0.034 1 278 . 26 VAL HA H 3.441 0.008 1 279 . 26 VAL HB H 2.062 0.005 1 280 . 26 VAL H H 8.740 0.011 1 281 . 26 VAL N N 121.646 0.023 1 282 . 26 VAL HG1 H 0.924 0.004 1 283 . 26 VAL HG2 H 0.834 0.006 1 284 . 27 ASN C C 177.428 0.000 1 285 . 27 ASN CA C 55.852 0.049 1 286 . 27 ASN CB C 37.592 0.042 1 287 . 27 ASN HA H 4.431 0.004 1 288 . 27 ASN HB2 H 2.780 0.005 1 289 . 27 ASN HB3 H 3.006 0.006 1 290 . 27 ASN HD21 H 7.602 0.011 1 291 . 27 ASN HD22 H 6.851 0.009 1 292 . 27 ASN H H 7.838 0.012 1 293 . 27 ASN N N 119.125 0.017 1 294 . 27 ASN ND2 N 110.660 0.051 1 295 . 28 VAL C C 177.506 0.000 1 296 . 28 VAL CA C 66.634 0.030 1 297 . 28 VAL CB C 31.829 0.022 1 298 . 28 VAL CG1 C 22.665 0.042 1 299 . 28 VAL CG2 C 24.779 0.030 1 300 . 28 VAL HA H 3.952 0.006 1 301 . 28 VAL HB H 2.222 0.009 1 302 . 28 VAL H H 7.770 0.013 1 303 . 28 VAL N N 118.056 0.022 1 304 . 28 VAL HG1 H 0.928 0.004 1 305 . 28 VAL HG2 H 1.053 0.007 1 306 . 29 ILE C C 177.093 0.000 1 307 . 29 ILE CA C 63.967 0.018 1 308 . 29 ILE CB C 36.514 0.034 1 309 . 29 ILE CD1 C 13.691 0.063 1 310 . 29 ILE CG1 C 25.586 0.047 1 311 . 29 ILE CG2 C 18.046 0.018 1 312 . 29 ILE HA H 4.329 0.005 1 313 . 29 ILE HB H 2.258 0.009 1 314 . 29 ILE HG12 H 1.574 0.015 1 315 . 29 ILE HG13 H 1.354 0.016 1 316 . 29 ILE H H 8.392 0.009 1 317 . 29 ILE N N 114.845 0.020 1 318 . 29 ILE HD1 H 0.759 0.010 1 319 . 29 ILE HG2 H 0.867 0.004 1 320 . 30 THR C C 174.207 0.000 1 321 . 30 THR CA C 65.420 0.057 1 322 . 30 THR CB C 69.069 0.019 1 323 . 30 THR CG2 C 20.867 0.016 1 324 . 30 THR HA H 3.931 0.005 1 325 . 30 THR HB H 4.162 0.005 1 326 . 30 THR H H 7.578 0.021 1 327 . 30 THR N N 115.220 0.032 1 328 . 30 THR HG2 H 1.179 0.004 1 329 . 31 LEU C C 176.585 0.000 1 330 . 31 LEU CA C 56.131 0.042 1 331 . 31 LEU CB C 43.810 0.072 1 332 . 31 LEU CD1 C 23.989 0.021 1 333 . 31 LEU CD2 C 24.239 0.032 1 334 . 31 LEU CG C 26.881 0.010 1 335 . 31 LEU HA H 4.153 0.005 1 336 . 31 LEU HB2 H 1.143 0.007 1 337 . 31 LEU HB3 H 1.366 0.005 1 338 . 31 LEU HG H 0.926 0.005 1 339 . 31 LEU H H 6.786 0.012 1 340 . 31 LEU N N 121.513 0.016 1 341 . 31 LEU HD1 H 0.756 0.004 1 342 . 31 LEU HD2 H 0.663 0.003 1 343 . 32 TYR C C 175.210 0.000 1 344 . 32 TYR CA C 57.960 0.022 1 345 . 32 TYR CB C 35.917 0.036 1 346 . 32 TYR CD1 C 132.574 0.031 1 347 . 32 TYR CE1 C 117.539 0.083 1 348 . 32 TYR HA H 4.476 0.004 1 349 . 32 TYR HB2 H 3.219 0.005 1 350 . 32 TYR HB3 H 2.719 0.006 1 351 . 32 TYR H H 8.635 0.010 1 352 . 32 TYR N N 122.269 0.013 1 353 . 32 TYR HD1 H 7.090 0.009 1 354 . 32 TYR HE1 H 6.645 0.006 1 355 . 33 LYS C C 177.426 0.000 1 356 . 33 LYS CA C 57.548 0.019 1 357 . 33 LYS CB C 32.208 0.033 1 358 . 33 LYS CE C 42.068 0.021 1 359 . 33 LYS CG C 24.696 0.055 1 360 . 33 LYS HA H 4.316 0.010 1 361 . 33 LYS HB2 H 1.877 0.009 1 362 . 33 LYS HB3 H 1.675 0.008 1 363 . 33 LYS HG2 H 1.304 0.006 1 364 . 33 LYS HG3 H 1.421 0.002 1 365 . 33 LYS H H 7.430 0.012 1 366 . 33 LYS N N 115.811 0.021 1 367 . 33 LYS HE2 H 3.002 0.005 1 368 . 34 ASP C C 175.778 0.000 1 369 . 34 ASP CA C 53.691 0.023 1 370 . 34 ASP CB C 41.675 0.052 1 371 . 34 ASP HA H 4.989 0.004 1 372 . 34 ASP HB2 H 2.933 0.006 1 373 . 34 ASP HB3 H 2.298 0.004 1 374 . 34 ASP H H 8.784 0.010 1 375 . 34 ASP N N 118.694 0.021 1 376 . 35 LEU C C 174.756 0.000 1 377 . 35 LEU CA C 53.733 0.021 1 378 . 35 LEU CB C 43.510 0.049 1 379 . 35 LEU CD1 C 22.464 0.017 1 380 . 35 LEU CD2 C 25.625 0.029 1 381 . 35 LEU HA H 4.445 0.007 1 382 . 35 LEU HB2 H 0.784 0.009 1 383 . 35 LEU HB3 H 1.980 0.009 1 384 . 35 LEU HG H 1.500 0.013 1 385 . 35 LEU H H 7.480 0.014 1 386 . 35 LEU N N 119.418 0.010 1 387 . 35 LEU HD1 H 0.282 0.006 1 388 . 35 LEU HD2 H 0.520 0.008 1 389 . 36 LYS CA C 52.293 0.027 1 390 . 36 LYS CB C 34.471 0.021 1 391 . 36 LYS CG C 24.022 0.042 1 392 . 36 LYS HA H 4.839 0.014 1 393 . 36 LYS HB2 H 1.699 0.004 1 394 . 36 LYS HB3 H 1.729 0.004 1 395 . 36 LYS H H 8.349 0.015 1 396 . 36 LYS N N 121.092 0.021 1 397 . 36 LYS HD2 H 1.572 0.000 1 398 . 36 LYS HE2 H 2.900 0.000 1 399 . 36 LYS HG2 H 1.326 0.007 1 400 . 37 PRO C C 176.049 0.000 1 401 . 37 PRO CA C 61.238 0.023 1 402 . 37 PRO CB C 32.025 0.044 1 403 . 37 PRO CD C 50.230 0.023 1 404 . 37 PRO CG C 27.620 0.048 1 405 . 37 PRO HA H 5.317 0.005 1 406 . 37 PRO HB2 H 1.958 0.006 1 407 . 37 PRO HB3 H 1.814 0.003 1 408 . 37 PRO HG2 H 1.633 0.005 1 409 . 37 PRO HG3 H 2.061 0.006 1 410 . 37 PRO HD2 H 3.683 0.007 1 411 . 38 VAL C C 173.339 0.000 1 412 . 38 VAL CA C 60.837 0.016 1 413 . 38 VAL CB C 35.605 0.024 1 414 . 38 VAL CG1 C 20.723 0.019 1 415 . 38 VAL CG2 C 21.369 0.038 1 416 . 38 VAL HA H 4.066 0.006 1 417 . 38 VAL HB H 1.893 0.003 1 418 . 38 VAL H H 9.059 0.014 1 419 . 38 VAL N N 124.210 0.034 1 420 . 38 VAL HG1 H 0.682 0.003 1 421 . 38 VAL HG2 H 0.711 0.007 1 422 . 39 LEU C C 176.213 0.000 1 423 . 39 LEU CA C 53.246 0.039 1 424 . 39 LEU CB C 43.668 0.019 1 425 . 39 LEU CD1 C 24.427 0.021 1 426 . 39 LEU CD2 C 23.933 0.039 1 427 . 39 LEU CG C 26.810 0.027 1 428 . 39 LEU HA H 5.064 0.005 1 429 . 39 LEU HB2 H 1.431 0.004 1 430 . 39 LEU HB3 H 1.515 0.004 1 431 . 39 LEU HG H 1.458 0.006 1 432 . 39 LEU H H 8.102 0.009 1 433 . 39 LEU N N 123.847 0.012 1 434 . 39 LEU HD1 H 0.898 0.008 1 435 . 39 LEU HD2 H 0.852 0.011 1 436 . 40 ASP C C 173.892 0.000 1 437 . 40 ASP CA C 52.450 0.032 1 438 . 40 ASP CB C 44.545 0.021 1 439 . 40 ASP HA H 5.004 0.006 1 440 . 40 ASP HB2 H 2.506 0.008 1 441 . 40 ASP HB3 H 2.777 0.008 1 442 . 40 ASP H H 9.188 0.007 1 443 . 40 ASP N N 124.407 0.017 1 444 . 41 SER C C 172.656 0.000 1 445 . 41 SER CA C 58.245 0.000 1 446 . 41 SER CB C 63.561 0.050 1 447 . 41 SER HA H 4.712 0.015 1 448 . 41 SER HB2 H 3.641 0.005 1 449 . 41 SER HB3 H 3.549 0.007 1 450 . 41 SER H H 8.884 0.011 1 451 . 41 SER N N 115.711 0.015 1 452 . 42 TYR C C 173.375 0.000 1 453 . 42 TYR CA C 57.188 0.021 1 454 . 42 TYR CB C 40.650 0.035 1 455 . 42 TYR CE1 C 116.945 0.023 1 456 . 42 TYR HA H 3.616 0.012 1 457 . 42 TYR HB2 H 2.093 0.005 1 458 . 42 TYR HB3 H 1.548 0.013 1 459 . 42 TYR H H 8.822 0.013 1 460 . 42 TYR N N 129.992 0.028 1 461 . 42 TYR HD1 H 4.763 0.006 1 462 . 42 TYR HE1 H 5.676 0.009 1 463 . 43 VAL C C 175.628 0.000 1 464 . 43 VAL CA C 60.911 0.041 1 465 . 43 VAL CB C 31.719 0.029 1 466 . 43 VAL CG1 C 20.718 0.039 1 467 . 43 VAL CG2 C 20.500 0.055 1 468 . 43 VAL HA H 4.195 0.007 1 469 . 43 VAL HB H 1.417 0.006 1 470 . 43 VAL H H 6.543 0.014 1 471 . 43 VAL N N 125.733 0.011 1 472 . 43 VAL HG1 H 0.589 0.005 1 473 . 43 VAL HG2 H 0.723 0.005 1 474 . 44 PHE C C 177.872 0.000 1 475 . 44 PHE CA C 58.048 0.035 1 476 . 44 PHE CB C 39.938 0.067 1 477 . 44 PHE CD1 C 132.350 0.039 1 478 . 44 PHE CE1 C 130.950 0.030 1 479 . 44 PHE CZ C 128.928 0.034 1 480 . 44 PHE HA H 4.284 0.009 1 481 . 44 PHE HB2 H 3.237 0.006 1 482 . 44 PHE HB3 H 3.008 0.009 1 483 . 44 PHE H H 8.726 0.011 1 484 . 44 PHE HZ H 7.011 0.005 1 485 . 44 PHE N N 125.788 0.035 1 486 . 44 PHE HD1 H 7.341 0.008 1 487 . 44 PHE HE1 H 7.128 0.005 1 488 . 45 ASN C C 175.390 0.000 1 489 . 45 ASN CA C 55.849 0.028 1 490 . 45 ASN CB C 37.790 0.013 1 491 . 45 ASN HA H 4.319 0.006 1 492 . 45 ASN HD21 H 7.686 0.011 1 493 . 45 ASN HD22 H 6.961 0.013 1 494 . 45 ASN H H 9.072 0.012 1 495 . 45 ASN N N 119.593 0.021 1 496 . 45 ASN ND2 N 112.646 0.061 1 497 . 45 ASN HB2 H 2.855 0.012 1 498 . 46 ASP C C 177.044 0.000 1 499 . 46 ASP CA C 53.052 0.010 1 500 . 46 ASP CB C 39.581 0.024 1 501 . 46 ASP HA H 4.487 0.005 1 502 . 46 ASP HB2 H 2.561 0.004 1 503 . 46 ASP HB3 H 3.034 0.008 1 504 . 46 ASP H H 7.763 0.010 1 505 . 46 ASP N N 115.787 0.008 1 506 . 47 GLY C C 174.336 0.000 1 507 . 47 GLY CA C 44.924 0.028 1 508 . 47 GLY HA2 H 3.469 0.005 1 509 . 47 GLY HA3 H 4.258 0.006 1 510 . 47 GLY H H 8.136 0.015 1 511 . 47 GLY N N 108.958 0.013 1 512 . 48 SER C C 172.144 0.000 1 513 . 48 SER CA C 58.548 0.025 1 514 . 48 SER CB C 64.249 0.042 1 515 . 48 SER HA H 4.383 0.006 1 516 . 48 SER HB2 H 3.835 0.007 1 517 . 48 SER HB3 H 3.925 0.011 1 518 . 48 SER H H 8.183 0.008 1 519 . 48 SER N N 118.316 0.021 1 520 . 49 SER C C 174.619 0.000 1 521 . 49 SER CA C 56.408 0.031 1 522 . 49 SER CB C 66.373 0.019 1 523 . 49 SER HA H 5.774 0.008 1 524 . 49 SER HB2 H 3.562 0.005 1 525 . 49 SER HB3 H 3.598 0.007 1 526 . 49 SER H H 8.433 0.008 1 527 . 49 SER N N 112.868 0.016 1 528 . 50 ARG C C 174.205 0.000 1 529 . 50 ARG CA C 54.683 0.026 1 530 . 50 ARG CB C 34.472 0.037 1 531 . 50 ARG CD C 43.289 0.022 1 532 . 50 ARG CG C 26.936 0.043 1 533 . 50 ARG HA H 4.660 0.009 1 534 . 50 ARG HB2 H 1.814 0.005 1 535 . 50 ARG HB3 H 1.896 0.004 1 536 . 50 ARG HD2 H 3.275 0.006 1 537 . 50 ARG HD3 H 3.060 0.011 1 538 . 50 ARG HG2 H 1.631 0.005 1 539 . 50 ARG HG3 H 1.703 0.003 1 540 . 50 ARG H H 8.624 0.011 1 541 . 50 ARG N N 120.974 0.016 1 542 . 51 GLU C C 174.978 0.000 1 543 . 51 GLU CB C 28.742 0.009 1 544 . 51 GLU CG C 34.488 0.011 1 545 . 51 GLU HA H 4.742 0.003 1 546 . 51 GLU H H 8.594 0.012 1 547 . 51 GLU N N 123.364 0.012 1 548 . 51 GLU HB2 H 1.976 0.006 1 549 . 51 GLU HG2 H 2.227 0.004 1 550 . 52 LEU C C 174.890 0.000 1 551 . 52 LEU CA C 53.119 0.050 1 552 . 52 LEU CB C 46.759 0.048 1 553 . 52 LEU CD1 C 26.376 0.056 1 554 . 52 LEU CD2 C 22.108 0.022 1 555 . 52 LEU HA H 5.091 0.005 1 556 . 52 LEU HB2 H 1.901 0.014 1 557 . 52 LEU HB3 H 2.021 0.008 1 558 . 52 LEU HG H 1.650 0.003 1 559 . 52 LEU H H 9.175 0.010 1 560 . 52 LEU N N 128.370 0.020 1 561 . 52 LEU HD1 H 0.669 0.007 1 562 . 52 LEU HD2 H 1.102 0.089 1 563 . 53 MET C C 174.299 0.000 1 564 . 53 MET CA C 54.896 0.043 1 565 . 53 MET CB C 34.451 0.018 1 566 . 53 MET CE C 17.980 0.027 1 567 . 53 MET CG C 32.176 0.025 1 568 . 53 MET HA H 5.077 0.008 1 569 . 53 MET HB2 H 1.431 0.007 1 570 . 53 MET HB3 H 1.898 0.006 1 571 . 53 MET H H 9.018 0.015 1 572 . 53 MET N N 120.736 0.026 1 573 . 53 MET HE H 1.593 0.006 1 574 . 53 MET HG2 H 2.175 0.013 1 575 . 54 ASN C C 173.586 0.000 1 576 . 54 ASN CA C 50.099 0.030 1 577 . 54 ASN CB C 41.803 0.042 1 578 . 54 ASN HA H 5.209 0.004 1 579 . 54 ASN HB2 H 1.267 0.008 1 580 . 54 ASN HB3 H 1.538 0.014 1 581 . 54 ASN HD21 H 3.741 0.005 1 582 . 54 ASN HD22 H 5.638 0.012 1 583 . 54 ASN H H 9.149 0.011 1 584 . 54 ASN N N 122.118 0.039 1 585 . 54 ASN ND2 N 109.294 0.091 1 586 . 55 LEU C C 175.611 0.000 1 587 . 55 LEU CA C 52.977 0.017 1 588 . 55 LEU CB C 43.565 0.051 1 589 . 55 LEU CD1 C 25.859 0.013 1 590 . 55 LEU CD2 C 23.916 0.015 1 591 . 55 LEU HA H 4.826 0.005 1 592 . 55 LEU HB2 H 1.554 0.003 1 593 . 55 LEU HB3 H 0.922 0.008 1 594 . 55 LEU HG H 1.430 0.000 1 595 . 55 LEU H H 8.395 0.013 1 596 . 55 LEU N N 116.733 0.028 1 597 . 55 LEU HD1 H 0.734 0.010 1 598 . 55 LEU HD2 H 0.582 0.012 1 599 . 56 THR C C 173.994 0.000 1 600 . 56 THR CA C 60.717 0.058 1 601 . 56 THR CB C 71.642 0.035 1 602 . 56 THR CG2 C 20.667 0.032 1 603 . 56 THR HA H 4.955 0.006 1 604 . 56 THR HB H 3.789 0.009 1 605 . 56 THR H H 8.609 0.012 1 606 . 56 THR N N 117.742 0.051 1 607 . 56 THR HG2 H 1.065 0.005 1 608 . 57 GLY C C 172.047 0.000 1 609 . 57 GLY CA C 44.551 0.038 1 610 . 57 GLY HA2 H 5.473 0.007 1 611 . 57 GLY HA3 H 3.753 0.009 1 612 . 57 GLY H H 8.039 0.009 1 613 . 57 GLY N N 115.483 0.015 1 614 . 58 THR C C 172.492 0.000 1 615 . 58 THR CA C 58.696 0.030 1 616 . 58 THR CB C 71.855 0.034 1 617 . 58 THR CG2 C 20.993 0.042 1 618 . 58 THR HA H 5.534 0.005 1 619 . 58 THR HB H 3.386 0.007 1 620 . 58 THR H H 7.519 0.012 1 621 . 58 THR N N 112.558 0.021 1 622 . 58 THR HG2 H 0.739 0.006 1 623 . 59 ILE CB C 39.959 0.061 1 624 . 59 ILE CD1 C 13.815 0.014 1 625 . 59 ILE CG1 C 23.962 0.023 1 626 . 59 ILE CG2 C 19.167 0.068 1 627 . 59 ILE HA H 4.735 0.022 1 628 . 59 ILE HB H 1.374 0.008 1 629 . 59 ILE HG12 H 0.987 0.007 1 630 . 59 ILE HG13 H 1.643 0.008 1 631 . 59 ILE H H 7.941 0.017 1 632 . 59 ILE N N 110.393 0.013 1 633 . 59 ILE HD1 H 0.636 0.005 1 634 . 59 ILE HG2 H 0.616 0.005 1 635 . 60 PRO C C 176.535 0.000 1 636 . 60 PRO CA C 61.215 0.030 1 637 . 60 PRO CB C 30.796 0.011 1 638 . 60 PRO CD C 49.801 0.049 1 639 . 60 PRO CG C 27.145 0.020 1 640 . 60 PRO HA H 4.980 0.006 1 641 . 60 PRO HD2 H 3.587 0.006 1 642 . 60 PRO HD3 H 3.870 0.008 1 643 . 60 PRO HG2 H 2.236 0.003 1 644 . 60 PRO HG3 H 2.570 0.006 1 645 . 60 PRO HB2 H 1.828 0.004 1 646 . 61 VAL CA C 58.937 0.000 1 647 . 61 VAL CB C 35.810 0.023 1 648 . 61 VAL CG1 C 22.082 0.028 1 649 . 61 VAL CG2 C 20.457 0.034 1 650 . 61 VAL HA H 4.689 0.011 1 651 . 61 VAL HB H 2.079 0.010 1 652 . 61 VAL H H 9.501 0.012 1 653 . 61 VAL N N 125.751 0.025 1 654 . 61 VAL HG1 H 1.010 0.010 1 655 . 61 VAL HG2 H 0.957 0.010 1 656 . 62 PRO C C 176.944 0.000 1 657 . 62 PRO CA C 61.563 0.033 1 658 . 62 PRO CB C 31.759 0.040 1 659 . 62 PRO CD C 51.325 0.040 1 660 . 62 PRO CG C 27.103 0.040 1 661 . 62 PRO HA H 5.175 0.005 1 662 . 62 PRO HB2 H 2.110 0.010 1 663 . 62 PRO HB3 H 1.913 0.003 1 664 . 62 PRO HD2 H 3.821 0.005 1 665 . 62 PRO HD3 H 3.868 0.008 1 666 . 62 PRO HG2 H 1.924 0.003 1 667 . 62 PRO HG3 H 2.246 0.006 1 668 . 63 TYR C C 174.992 0.000 1 669 . 63 TYR CA C 58.768 0.045 1 670 . 63 TYR CB C 40.315 0.000 1 671 . 63 TYR CD1 C 133.875 0.051 1 672 . 63 TYR CE1 C 117.907 0.047 1 673 . 63 TYR HA H 4.897 0.009 1 674 . 63 TYR HB2 H 2.931 0.025 1 675 . 63 TYR HB3 H 3.196 0.015 1 676 . 63 TYR H H 9.380 0.008 1 677 . 63 TYR N N 123.472 0.019 1 678 . 63 TYR HD1 H 7.371 0.017 1 679 . 63 TYR HE1 H 6.899 0.025 1 680 . 64 ARG C C 175.661 0.000 1 681 . 64 ARG CA C 57.039 0.045 1 682 . 64 ARG CB C 28.083 0.044 1 683 . 64 ARG CD C 43.683 0.020 1 684 . 64 ARG CG C 26.759 0.022 1 685 . 64 ARG HA H 3.639 0.005 1 686 . 64 ARG HB2 H 1.330 0.004 1 687 . 64 ARG HB3 H 1.789 0.007 1 688 . 64 ARG HG2 H 0.960 0.007 1 689 . 64 ARG HG3 H 0.438 0.008 1 690 . 64 ARG H H 9.313 0.013 1 691 . 64 ARG N N 127.039 0.030 1 692 . 64 ARG HD2 H 2.902 0.009 1 693 . 65 GLY C C 173.657 0.000 1 694 . 65 GLY CA C 45.354 0.030 1 695 . 65 GLY HA2 H 3.530 0.003 1 696 . 65 GLY HA3 H 4.161 0.007 1 697 . 65 GLY H H 8.531 0.010 1 698 . 65 GLY N N 103.568 0.029 1 699 . 66 ASN C C 173.100 0.000 1 700 . 66 ASN CA C 51.266 0.030 1 701 . 66 ASN CB C 42.273 0.031 1 702 . 66 ASN HA H 4.963 0.005 1 703 . 66 ASN HB2 H 2.521 0.004 1 704 . 66 ASN HB3 H 2.254 0.005 1 705 . 66 ASN HD21 H 7.155 0.013 1 706 . 66 ASN HD22 H 6.955 0.019 1 707 . 66 ASN H H 7.670 0.013 1 708 . 66 ASN N N 118.215 0.016 1 709 . 66 ASN ND2 N 113.361 0.071 1 710 . 67 THR C C 173.049 0.000 1 711 . 67 THR CA C 62.896 0.031 1 712 . 67 THR CB C 69.143 0.025 1 713 . 67 THR CG2 C 21.824 0.076 1 714 . 67 THR HA H 4.444 0.006 1 715 . 67 THR HB H 3.703 0.008 1 716 . 67 THR H H 8.415 0.008 1 717 . 67 THR N N 117.534 0.022 1 718 . 67 THR HG2 H 0.867 0.010 1 719 . 68 TYR C C 173.045 0.000 1 720 . 68 TYR CA C 57.489 0.007 1 721 . 68 TYR CB C 39.937 0.058 1 722 . 68 TYR HA H 4.119 0.008 1 723 . 68 TYR HB2 H 2.980 0.007 1 724 . 68 TYR HB3 H 2.417 0.007 1 725 . 68 TYR HH H 9.843 0.003 1 726 . 68 TYR H H 8.687 0.011 1 727 . 68 TYR N N 127.585 0.024 1 728 . 68 TYR HD1 H 6.985 0.014 1 729 . 68 TYR HE1 H 6.726 0.000 1 730 . 69 ASN C C 173.246 0.000 1 731 . 69 ASN CA C 51.504 0.045 1 732 . 69 ASN CB C 37.970 0.045 1 733 . 69 ASN HA H 5.097 0.007 1 734 . 69 ASN HB2 H 3.080 0.007 1 735 . 69 ASN HB3 H 2.173 0.008 1 736 . 69 ASN HD21 H 6.954 0.043 1 737 . 69 ASN HD22 H 7.133 0.043 1 738 . 69 ASN H H 8.332 0.013 1 739 . 69 ASN N N 121.973 0.046 1 740 . 69 ASN ND2 N 116.036 0.095 1 741 . 70 ILE CA C 56.327 0.013 1 742 . 70 ILE CB C 36.946 0.025 1 743 . 70 ILE CD1 C 8.646 0.039 1 744 . 70 ILE CG2 C 15.480 0.019 1 745 . 70 ILE HA H 4.360 0.004 1 746 . 70 ILE HB H 2.077 0.006 1 747 . 70 ILE HG12 H 1.177 0.009 1 748 . 70 ILE HG13 H 1.708 0.005 1 749 . 70 ILE H H 8.602 0.012 1 750 . 70 ILE N N 125.080 0.028 1 751 . 70 ILE HD1 H 0.692 0.009 1 752 . 70 ILE HG2 H 0.586 0.007 1 753 . 71 PRO C C 176.720 0.000 1 754 . 71 PRO CA C 61.265 0.013 1 755 . 71 PRO CD C 49.889 0.016 1 756 . 71 PRO HA H 4.973 0.003 1 757 . 71 PRO HB2 H 1.760 0.004 1 758 . 71 PRO HB3 H 2.253 0.000 1 759 . 71 PRO HD2 H 3.415 0.005 1 760 . 71 PRO HD3 H 3.963 0.003 1 761 . 72 ILE C C 174.662 0.000 1 762 . 72 ILE CA C 58.890 0.015 1 763 . 72 ILE CB C 44.847 0.035 1 764 . 72 ILE CD1 C 15.157 0.013 1 765 . 72 ILE CG2 C 17.210 0.032 1 766 . 72 ILE HA H 5.360 0.007 1 767 . 72 ILE HB H 1.695 0.007 1 768 . 72 ILE H H 8.763 0.014 1 769 . 72 ILE N N 117.261 0.021 1 770 . 72 ILE HD1 H 0.624 0.011 1 771 . 72 ILE HG2 H 0.841 0.006 1 772 . 73 CYS C C 173.146 0.000 1 773 . 73 CYS CA C 57.758 0.024 1 774 . 73 CYS CB C 29.246 0.053 1 775 . 73 CYS HA H 5.128 0.003 1 776 . 73 CYS HB2 H 2.377 0.006 1 777 . 73 CYS HB3 H 2.626 0.008 1 778 . 73 CYS HG H 1.210 0.003 1 779 . 73 CYS H H 8.867 0.013 1 780 . 73 CYS N N 119.997 0.010 1 781 . 74 LEU C C 174.997 0.000 1 782 . 74 LEU CA C 52.804 0.005 1 783 . 74 LEU CB C 43.128 0.046 1 784 . 74 LEU CD1 C 24.898 0.018 1 785 . 74 LEU CD2 C 25.850 0.071 1 786 . 74 LEU CG C 26.650 0.048 1 787 . 74 LEU HA H 5.068 0.011 1 788 . 74 LEU HB2 H 1.087 0.009 1 789 . 74 LEU HB3 H 1.793 0.005 1 790 . 74 LEU HG H 1.564 0.010 1 791 . 74 LEU H H 9.030 0.011 1 792 . 74 LEU N N 127.547 0.026 1 793 . 74 LEU HD1 H 0.736 0.005 1 794 . 74 LEU HD2 H 0.680 0.004 1 795 . 75 TRP C C 175.561 0.000 1 796 . 75 TRP CA C 57.247 0.044 1 797 . 75 TRP CB C 29.517 0.045 1 798 . 75 TRP CD1 C 127.047 0.005 1 799 . 75 TRP CE3 C 120.156 0.023 1 800 . 75 TRP CH2 C 124.424 0.026 1 801 . 75 TRP CZ2 C 115.321 0.040 1 802 . 75 TRP CZ3 C 121.909 0.017 1 803 . 75 TRP HA H 4.331 0.007 1 804 . 75 TRP HB2 H 2.557 0.012 1 805 . 75 TRP HB3 H 3.163 0.009 1 806 . 75 TRP HD1 H 7.304 0.013 1 807 . 75 TRP HE1 H 10.232 0.019 1 808 . 75 TRP HE3 H 7.230 0.016 1 809 . 75 TRP HH2 H 6.835 0.008 1 810 . 75 TRP H H 9.684 0.013 1 811 . 75 TRP HZ2 H 7.362 0.003 1 812 . 75 TRP HZ3 H 7.124 0.008 1 813 . 75 TRP N N 124.130 0.019 1 814 . 75 TRP NE1 N 130.409 0.031 1 815 . 76 LEU C C 176.784 0.000 1 816 . 76 LEU CA C 53.433 0.084 1 817 . 76 LEU CB C 40.699 0.021 1 818 . 76 LEU CD1 C 23.198 0.025 1 819 . 76 LEU CD2 C 24.944 0.034 1 820 . 76 LEU CG C 27.787 0.041 1 821 . 76 LEU HA H 4.560 0.011 1 822 . 76 LEU HB2 H 1.198 0.020 1 823 . 76 LEU HB3 H 1.954 0.009 1 824 . 76 LEU HG H 1.257 0.008 1 825 . 76 LEU H H 8.403 0.013 1 826 . 76 LEU N N 122.253 0.021 1 827 . 76 LEU HD1 H 0.087 0.004 1 828 . 76 LEU HD2 H 0.369 0.010 1 829 . 77 LEU C C 176.907 0.000 1 830 . 77 LEU CA C 55.279 0.017 1 831 . 77 LEU CD1 C 22.083 0.017 1 832 . 77 LEU CD2 C 25.226 0.048 1 833 . 77 LEU HA H 4.313 0.007 1 834 . 77 LEU HB2 H 1.550 0.017 1 835 . 77 LEU HB3 H 1.780 0.010 1 836 . 77 LEU H H 8.652 0.013 1 837 . 77 LEU N N 123.833 0.031 1 838 . 77 LEU HD1 H 0.738 0.006 1 839 . 77 LEU HD2 H 0.786 0.012 1 840 . 78 ASP C C 177.300 0.000 1 841 . 78 ASP CA C 55.384 0.027 1 842 . 78 ASP CB C 38.956 0.041 1 843 . 78 ASP HA H 2.959 0.008 1 844 . 78 ASP HB2 H 2.066 0.009 1 845 . 78 ASP HB3 H 2.519 0.010 1 846 . 78 ASP H H 8.405 0.008 1 847 . 78 ASP N N 115.501 0.046 1 848 . 79 THR C C 174.307 0.000 1 849 . 79 THR CA C 60.738 0.060 1 850 . 79 THR CG2 C 22.338 0.032 1 851 . 79 THR HA H 4.376 0.007 1 852 . 79 THR HB H 4.850 0.035 1 853 . 79 THR H H 6.906 0.028 1 854 . 79 THR N N 107.339 0.016 1 855 . 79 THR HG2 H 1.189 0.018 1 856 . 80 TYR CA C 60.044 0.053 1 857 . 80 TYR CB C 38.573 0.004 1 858 . 80 TYR CD1 C 133.526 0.000 1 859 . 80 TYR CE1 C 133.197 0.000 1 860 . 80 TYR HA H 4.058 0.006 1 861 . 80 TYR HB2 H 3.532 0.011 1 862 . 80 TYR HB3 H 3.280 0.014 1 863 . 80 TYR H H 8.425 0.010 1 864 . 80 TYR N N 127.225 0.018 1 865 . 80 TYR HD1 H 7.257 0.007 1 866 . 80 TYR HE1 H 7.385 0.008 1 867 . 81 PRO C C 175.438 0.000 1 868 . 81 PRO CA C 62.203 0.018 1 869 . 81 PRO CB C 33.989 0.019 1 870 . 81 PRO CD C 50.255 0.049 1 871 . 81 PRO CG C 22.879 0.010 1 872 . 81 PRO HA H 2.526 0.018 1 873 . 81 PRO HB2 H 1.424 0.009 1 874 . 81 PRO HB3 H 2.323 0.003 1 875 . 81 PRO HD2 H 2.913 0.005 1 876 . 81 PRO HD3 H 3.217 0.009 1 877 . 81 PRO HG2 H -0.389 0.005 1 878 . 81 PRO HG3 H 0.909 0.006 1 879 . 82 TYR C C 175.213 0.000 1 880 . 82 TYR CA C 61.358 0.021 1 881 . 82 TYR CB C 37.128 0.031 1 882 . 82 TYR CD1 C 132.603 0.033 1 883 . 82 TYR CE1 C 117.166 0.020 1 884 . 82 TYR HA H 4.189 0.007 1 885 . 82 TYR HB2 H 2.813 0.008 1 886 . 82 TYR HB3 H 3.142 0.015 1 887 . 82 TYR H H 8.779 0.013 1 888 . 82 TYR N N 124.749 0.033 1 889 . 82 TYR HD1 H 6.697 0.001 1 890 . 82 TYR HE1 H 5.965 0.003 1 891 . 83 ASN CA C 50.549 0.025 1 892 . 83 ASN CB C 41.203 0.051 1 893 . 83 ASN HA H 5.007 0.005 1 894 . 83 ASN HB2 H 2.638 0.006 1 895 . 83 ASN HB3 H 1.967 0.008 1 896 . 83 ASN HD21 H 7.917 0.011 1 897 . 83 ASN HD22 H 7.053 0.014 1 898 . 83 ASN H H 6.707 0.015 1 899 . 83 ASN N N 114.815 0.020 1 900 . 83 ASN ND2 N 113.586 0.040 1 901 . 84 PRO CD C 50.436 0.053 1 902 . 84 PRO CG C 25.924 0.099 1 903 . 84 PRO HD2 H 3.736 0.005 1 904 . 84 PRO HD3 H 3.448 0.010 1 905 . 84 PRO HG2 H 1.856 0.000 1 906 . 84 PRO HG3 H 2.201 0.004 1 907 . 85 PRO C C 174.238 0.000 1 908 . 85 PRO CB C 31.987 0.018 1 909 . 85 PRO CD C 49.111 0.022 1 910 . 85 PRO CG C 27.078 0.015 1 911 . 85 PRO HA H 4.809 0.004 1 912 . 85 PRO HB2 H 1.802 0.003 1 913 . 85 PRO HB3 H 1.516 0.002 1 914 . 85 PRO HG2 H 1.373 0.000 1 915 . 85 PRO HG3 H 1.431 0.000 1 916 . 85 PRO HD2 H 2.329 0.004 1 917 . 86 ILE C C 176.250 0.000 1 918 . 86 ILE CA C 61.486 0.035 1 919 . 86 ILE CB C 38.451 0.022 1 920 . 86 ILE CD1 C 13.042 0.025 1 921 . 86 ILE CG1 C 27.122 0.039 1 922 . 86 ILE CG2 C 19.159 0.024 1 923 . 86 ILE HA H 4.033 0.004 1 924 . 86 ILE HB H 1.744 0.012 1 925 . 86 ILE HG12 H 1.398 0.008 1 926 . 86 ILE HG13 H 0.974 0.004 1 927 . 86 ILE H H 8.464 0.008 1 928 . 86 ILE N N 121.401 0.036 1 929 . 86 ILE HD1 H 0.565 0.004 1 930 . 86 ILE HG2 H 0.912 0.008 1 931 . 87 CYS C C 172.680 0.000 1 932 . 87 CYS CA C 57.503 0.019 1 933 . 87 CYS CB C 30.862 0.033 1 934 . 87 CYS HA H 5.355 0.005 1 935 . 87 CYS HB2 H 2.769 0.006 1 936 . 87 CYS HB3 H 2.314 0.009 1 937 . 87 CYS HG H 1.802 0.006 1 938 . 87 CYS H H 9.052 0.010 1 939 . 87 CYS N N 125.801 0.032 1 940 . 88 PHE C C 176.915 0.000 1 941 . 88 PHE CA C 56.464 0.033 1 942 . 88 PHE CB C 43.696 0.025 1 943 . 88 PHE CD1 C 131.466 0.014 1 944 . 88 PHE CE1 C 131.459 0.000 1 945 . 88 PHE HA H 5.573 0.007 1 946 . 88 PHE HB2 H 3.106 0.003 1 947 . 88 PHE HB3 H 2.623 0.007 1 948 . 88 PHE H H 9.238 0.016 1 949 . 88 PHE N N 120.514 0.034 1 950 . 88 PHE HD1 H 7.212 0.004 1 951 . 88 PHE HE1 H 7.298 0.005 1 952 . 89 VAL C C 175.214 0.000 1 953 . 89 VAL CA C 61.209 0.000 1 954 . 89 VAL CB C 33.181 0.055 1 955 . 89 VAL CG1 C 21.381 0.059 1 956 . 89 VAL CG2 C 21.678 0.034 1 957 . 89 VAL HA H 4.803 0.019 1 958 . 89 VAL HB H 1.795 0.007 1 959 . 89 VAL H H 9.369 0.010 1 960 . 89 VAL N N 117.807 0.024 1 961 . 89 VAL HG1 H 0.834 0.004 1 962 . 89 VAL HG2 H 0.761 0.003 1 963 . 90 LYS CB C 31.407 0.033 1 964 . 90 LYS CE C 41.082 0.017 1 965 . 90 LYS CG C 23.037 0.047 1 966 . 90 LYS HA H 4.814 0.024 1 967 . 90 LYS HB2 H 1.306 0.006 1 968 . 90 LYS HB3 H 1.617 0.003 1 969 . 90 LYS HE2 H 2.718 0.005 1 970 . 90 LYS HE3 H 2.900 0.002 1 971 . 90 LYS HG2 H 1.078 0.007 1 972 . 90 LYS HG3 H 1.266 0.010 1 973 . 90 LYS H H 7.691 0.011 1 974 . 90 LYS N N 125.599 0.017 1 975 . 90 LYS HD2 H 1.530 0.000 1 976 . 91 PRO C C 178.003 0.000 1 977 . 91 PRO CA C 62.437 0.027 1 978 . 91 PRO CB C 32.356 0.028 1 979 . 91 PRO CD C 50.602 0.035 1 980 . 91 PRO CG C 27.116 0.033 1 981 . 91 PRO HA H 4.199 0.009 1 982 . 91 PRO HB2 H 1.688 0.017 1 983 . 91 PRO HB3 H 2.083 0.010 1 984 . 91 PRO HD2 H 3.083 0.006 1 985 . 91 PRO HD3 H 3.879 0.003 1 986 . 91 PRO HG2 H 1.741 0.006 1 987 . 91 PRO HG3 H 2.003 0.003 1 988 . 92 THR C C 176.196 0.000 1 989 . 92 THR CA C 60.425 0.034 1 990 . 92 THR CG2 C 22.136 0.032 1 991 . 92 THR HA H 4.562 0.007 1 992 . 92 THR HB H 4.740 0.011 1 993 . 92 THR H H 7.214 0.012 1 994 . 92 THR N N 111.720 0.030 1 995 . 92 THR HG2 H 1.255 0.010 1 996 . 93 SER C C 175.108 0.000 1 997 . 93 SER CA C 60.748 0.028 1 998 . 93 SER CB C 62.788 0.030 1 999 . 93 SER HA H 4.237 0.005 1 1000 . 93 SER HB2 H 3.936 0.006 1 1001 . 93 SER HB3 H 4.017 0.007 1 1002 . 93 SER H H 8.819 0.010 1 1003 . 93 SER N N 113.267 0.006 1 1004 . 94 SER C C 173.169 0.000 1 1005 . 94 SER CA C 57.683 0.025 1 1006 . 94 SER CB C 63.169 0.024 1 1007 . 94 SER HA H 4.611 0.005 1 1008 . 94 SER HB2 H 3.844 0.008 1 1009 . 94 SER HB3 H 4.037 0.003 1 1010 . 94 SER H H 7.626 0.011 1 1011 . 94 SER N N 114.250 0.035 1 1012 . 95 MET C C 174.335 0.000 1 1013 . 95 MET CA C 54.540 0.038 1 1014 . 95 MET CB C 36.408 0.062 1 1015 . 95 MET CE C 17.445 0.042 1 1016 . 95 MET CG C 32.557 0.041 1 1017 . 95 MET HA H 5.248 0.011 1 1018 . 95 MET HB2 H 1.769 0.008 1 1019 . 95 MET HB3 H 1.623 0.004 1 1020 . 95 MET HG2 H 2.107 0.007 1 1021 . 95 MET HG3 H 2.515 0.008 1 1022 . 95 MET H H 7.650 0.008 1 1023 . 95 MET N N 119.972 0.026 1 1024 . 95 MET HE H 1.747 0.012 1 1025 . 96 THR C C 173.353 0.000 1 1026 . 96 THR CA C 59.752 0.029 1 1027 . 96 THR CB C 71.223 0.014 1 1028 . 96 THR CG2 C 20.805 0.026 1 1029 . 96 THR HA H 4.516 0.008 1 1030 . 96 THR HB H 3.631 0.004 1 1031 . 96 THR H H 8.749 0.013 1 1032 . 96 THR N N 113.858 0.041 1 1033 . 96 THR HG2 H 1.088 0.005 1 1034 . 97 ILE C C 175.562 0.000 1 1035 . 97 ILE CA C 61.175 0.015 1 1036 . 97 ILE CB C 39.270 0.032 1 1037 . 97 ILE CD1 C 13.195 0.015 1 1038 . 97 ILE CG1 C 28.988 0.029 1 1039 . 97 ILE CG2 C 17.225 0.017 1 1040 . 97 ILE HA H 4.354 0.005 1 1041 . 97 ILE HB H 1.608 0.007 1 1042 . 97 ILE HG12 H 0.724 0.004 1 1043 . 97 ILE HG13 H 1.537 0.004 1 1044 . 97 ILE H H 8.479 0.009 1 1045 . 97 ILE N N 125.279 0.013 1 1046 . 97 ILE HD1 H 0.715 0.012 1 1047 . 97 ILE HG2 H 0.783 0.005 1 1048 . 98 LYS C C 174.653 0.000 1 1049 . 98 LYS CA C 53.431 0.020 1 1050 . 98 LYS CB C 32.376 0.030 1 1051 . 98 LYS CD C 28.509 0.044 1 1052 . 98 LYS CG C 24.632 0.058 1 1053 . 98 LYS HA H 4.613 0.011 1 1054 . 98 LYS HB2 H 1.442 0.005 1 1055 . 98 LYS HB3 H 1.941 0.008 1 1056 . 98 LYS HG2 H 1.261 0.005 1 1057 . 98 LYS HG3 H 1.450 0.006 1 1058 . 98 LYS H H 8.114 0.013 1 1059 . 98 LYS N N 131.532 0.012 1 1060 . 98 LYS HD2 H 1.615 0.007 1 1061 . 98 LYS HE2 H 2.850 0.005 1 1062 . 99 THR C C 175.100 0.000 1 1063 . 99 THR CA C 61.670 0.039 1 1064 . 99 THR CB C 69.720 0.039 1 1065 . 99 THR CG2 C 21.705 0.050 1 1066 . 99 THR HA H 4.105 0.003 1 1067 . 99 THR HB H 4.345 0.003 1 1068 . 99 THR H H 8.078 0.010 1 1069 . 99 THR N N 117.373 0.016 1 1070 . 99 THR HG2 H 1.089 0.005 1 1071 . 100 GLY C C 173.749 0.000 1 1072 . 100 GLY CA C 45.731 0.043 1 1073 . 100 GLY HA2 H 4.051 0.013 1 1074 . 100 GLY HA3 H 4.149 0.014 1 1075 . 100 GLY H H 8.752 0.011 1 1076 . 100 GLY N N 108.438 0.027 1 1077 . 101 LYS C C 178.027 0.000 1 1078 . 101 LYS CA C 58.325 0.018 1 1079 . 101 LYS CB C 32.111 0.032 1 1080 . 101 LYS CD C 28.753 0.012 1 1081 . 101 LYS CE C 41.689 0.000 1 1082 . 101 LYS CG C 24.281 0.052 1 1083 . 101 LYS HA H 3.883 0.007 1 1084 . 101 LYS HB2 H 1.320 0.003 1 1085 . 101 LYS HB3 H 1.392 0.005 1 1086 . 101 LYS HG2 H 1.049 0.006 1 1087 . 101 LYS HG3 H 1.183 0.006 1 1088 . 101 LYS H H 8.756 0.009 1 1089 . 101 LYS N N 121.126 0.047 1 1090 . 101 LYS HD2 H 1.544 0.005 1 1091 . 101 LYS HE2 H 2.894 0.005 1 1092 . 102 HIS C C 173.801 0.000 1 1093 . 102 HIS CA C 55.026 0.017 1 1094 . 102 HIS CB C 29.707 0.040 1 1095 . 102 HIS CD2 C 120.608 0.032 1 1096 . 102 HIS CE1 C 135.968 0.019 1 1097 . 102 HIS HA H 5.684 0.008 1 1098 . 102 HIS HB2 H 3.235 0.008 1 1099 . 102 HIS HB3 H 3.820 0.012 1 1100 . 102 HIS HD2 H 7.666 0.005 1 1101 . 102 HIS HE1 H 8.746 0.001 1 1102 . 102 HIS H H 8.935 0.010 1 1103 . 102 HIS N N 111.363 0.023 1 1104 . 103 VAL C C 174.096 0.000 1 1105 . 103 VAL CA C 60.625 0.022 1 1106 . 103 VAL CB C 35.606 0.032 1 1107 . 103 VAL CG1 C 21.284 0.020 1 1108 . 103 VAL CG2 C 21.794 0.034 1 1109 . 103 VAL HA H 5.424 0.003 1 1110 . 103 VAL HB H 2.038 0.005 1 1111 . 103 VAL H H 7.173 0.012 1 1112 . 103 VAL N N 118.309 0.008 1 1113 . 103 VAL HG1 H 0.950 0.009 1 1114 . 103 VAL HG2 H 0.974 0.004 1 1115 . 104 ASP C C 177.977 0.000 1 1116 . 104 ASP CA C 51.695 0.036 1 1117 . 104 ASP CB C 42.803 0.027 1 1118 . 104 ASP HA H 5.104 0.004 1 1119 . 104 ASP HB2 H 2.855 0.004 1 1120 . 104 ASP HB3 H 3.426 0.003 1 1121 . 104 ASP H H 8.368 0.011 1 1122 . 104 ASP N N 125.210 0.024 1 1123 . 105 ALA C C 178.684 0.000 1 1124 . 105 ALA CA C 54.468 0.049 1 1125 . 105 ALA CB C 18.387 0.012 1 1126 . 105 ALA HA H 3.868 0.006 1 1127 . 105 ALA H H 8.355 0.013 1 1128 . 105 ALA N N 117.823 0.014 1 1129 . 105 ALA HB H 1.395 0.003 1 1130 . 106 ASN C C 175.885 0.000 1 1131 . 106 ASN CA C 52.901 0.033 1 1132 . 106 ASN CB C 38.869 0.029 1 1133 . 106 ASN HA H 4.833 0.005 1 1134 . 106 ASN HB2 H 3.066 0.011 1 1135 . 106 ASN HB3 H 3.089 0.005 1 1136 . 106 ASN HD21 H 8.042 0.011 1 1137 . 106 ASN HD22 H 6.986 0.011 1 1138 . 106 ASN H H 8.142 0.011 1 1139 . 106 ASN N N 113.583 0.020 1 1140 . 106 ASN ND2 N 114.207 0.017 1 1141 . 107 GLY C C 172.659 0.000 1 1142 . 107 GLY CA C 45.325 0.039 1 1143 . 107 GLY HA2 H 3.514 0.004 1 1144 . 107 GLY HA3 H 4.358 0.006 1 1145 . 107 GLY H H 8.748 0.011 1 1146 . 107 GLY N N 109.734 0.013 1 1147 . 108 LYS C C 175.105 0.000 1 1148 . 108 LYS CA C 57.306 0.052 1 1149 . 108 LYS CB C 32.081 0.020 1 1150 . 108 LYS CD C 29.176 0.031 1 1151 . 108 LYS CE C 42.282 0.022 1 1152 . 108 LYS HA H 3.801 0.006 1 1153 . 108 LYS HB2 H 1.379 0.008 1 1154 . 108 LYS HB3 H 1.940 0.006 1 1155 . 108 LYS HE2 H 2.655 0.006 1 1156 . 108 LYS HE3 H 2.746 0.005 1 1157 . 108 LYS H H 8.392 0.009 1 1158 . 108 LYS N N 124.476 0.035 1 1159 . 108 LYS HD2 H 1.492 0.004 1 1160 . 108 LYS HG2 H 0.575 0.008 1 1161 . 109 ILE C C 175.356 0.000 1 1162 . 109 ILE CA C 59.320 0.064 1 1163 . 109 ILE CB C 39.381 0.034 1 1164 . 109 ILE CD1 C 13.767 0.061 1 1165 . 109 ILE CG1 C 28.043 0.036 1 1166 . 109 ILE CG2 C 17.077 0.016 1 1167 . 109 ILE HA H 4.968 0.005 1 1168 . 109 ILE HB H 1.329 0.009 1 1169 . 109 ILE HG12 H 1.157 0.010 1 1170 . 109 ILE HG13 H 1.808 0.007 1 1171 . 109 ILE H H 7.762 0.011 1 1172 . 109 ILE N N 125.129 0.018 1 1173 . 109 ILE HD1 H 0.862 0.005 1 1174 . 109 ILE HG2 H 0.904 0.003 1 1175 . 110 TYR CA C 56.819 0.000 1 1176 . 110 TYR CB C 39.905 0.046 1 1177 . 110 TYR CD1 C 133.826 0.038 1 1178 . 110 TYR HA H 4.656 0.012 1 1179 . 110 TYR H H 8.728 0.013 1 1180 . 110 TYR N N 127.282 0.031 1 1181 . 110 TYR HB2 H 2.949 0.009 1 1182 . 110 TYR HD1 H 7.021 0.009 1 1183 . 110 TYR HE1 H 6.670 0.004 1 1184 . 111 LEU CA C 51.437 0.055 1 1185 . 111 LEU CD1 C 26.390 0.056 1 1186 . 111 LEU CD2 C 23.463 0.050 1 1187 . 111 LEU HA H 5.009 0.005 1 1188 . 111 LEU HD1 H 0.598 0.004 1 1189 . 111 LEU HD2 H 0.686 0.002 1 1190 . 112 PRO C C 177.876 0.000 1 1191 . 112 PRO CA C 65.802 0.019 1 1192 . 112 PRO CB C 31.017 0.063 1 1193 . 112 PRO CD C 50.498 0.063 1 1194 . 112 PRO CG C 27.773 0.033 1 1195 . 112 PRO HA H 4.387 0.004 1 1196 . 112 PRO HB2 H 2.449 0.004 1 1197 . 112 PRO HB3 H 2.143 0.010 1 1198 . 112 PRO HD2 H 3.993 0.005 1 1199 . 112 PRO HD3 H 3.788 0.009 1 1200 . 112 PRO HG2 H 2.292 0.006 1 1201 . 113 TYR C C 178.602 0.000 1 1202 . 113 TYR CA C 61.169 0.017 1 1203 . 113 TYR CB C 40.180 0.045 1 1204 . 113 TYR CD1 C 133.557 0.039 1 1205 . 113 TYR HA H 3.845 0.006 1 1206 . 113 TYR HB2 H 3.361 0.004 1 1207 . 113 TYR HB3 H 2.456 0.008 1 1208 . 113 TYR H H 8.232 0.023 1 1209 . 113 TYR N N 114.898 0.036 1 1210 . 113 TYR HD1 H 7.015 0.005 1 1211 . 114 LEU C C 178.463 0.000 1 1212 . 114 LEU CA C 56.739 0.026 1 1213 . 114 LEU CB C 42.041 0.030 1 1214 . 114 LEU CD1 C 24.001 0.037 1 1215 . 114 LEU CD2 C 25.684 0.071 1 1216 . 114 LEU HA H 4.536 0.006 1 1217 . 114 LEU HB2 H 2.337 0.008 1 1218 . 114 LEU HB3 H 1.716 0.007 1 1219 . 114 LEU HG H 1.341 0.000 1 1220 . 114 LEU H H 7.130 0.011 1 1221 . 114 LEU N N 112.171 0.030 1 1222 . 114 LEU HD1 H 1.069 0.003 1 1223 . 114 LEU HD2 H 0.992 0.009 1 1224 . 115 HIS C C 176.281 0.000 1 1225 . 115 HIS CA C 58.733 0.058 1 1226 . 115 HIS CB C 28.934 0.037 1 1227 . 115 HIS CD2 C 120.507 0.024 1 1228 . 115 HIS CE1 C 136.906 0.010 1 1229 . 115 HIS HA H 4.433 0.008 1 1230 . 115 HIS HD2 H 7.433 0.003 1 1231 . 115 HIS HE1 H 8.636 0.002 1 1232 . 115 HIS H H 7.997 0.011 1 1233 . 115 HIS N N 119.336 0.029 1 1234 . 115 HIS HB2 H 3.387 0.009 1 1235 . 116 GLU C C 174.638 0.000 1 1236 . 116 GLU CA C 54.346 0.025 1 1237 . 116 GLU CB C 28.244 0.087 1 1238 . 116 GLU CG C 34.996 0.027 1 1239 . 116 GLU HA H 4.261 0.007 1 1240 . 116 GLU HB2 H 1.646 0.005 1 1241 . 116 GLU HB3 H 2.139 0.007 1 1242 . 116 GLU H H 8.358 0.012 1 1243 . 116 GLU N N 115.266 0.032 1 1244 . 116 GLU HG2 H 2.312 0.007 1 1245 . 117 TRP C C 176.164 0.000 1 1246 . 117 TRP CA C 58.611 0.038 1 1247 . 117 TRP CB C 29.768 0.039 1 1248 . 117 TRP CD1 C 126.520 0.013 1 1249 . 117 TRP CH2 C 123.550 0.075 1 1250 . 117 TRP CZ2 C 116.448 0.029 1 1251 . 117 TRP HA H 3.709 0.008 1 1252 . 117 TRP HB2 H 2.978 0.007 1 1253 . 117 TRP HB3 H 3.552 0.009 1 1254 . 117 TRP HD1 H 6.728 0.004 1 1255 . 117 TRP HE1 H 10.191 0.020 1 1256 . 117 TRP HH2 H 7.063 0.003 1 1257 . 117 TRP H H 6.768 0.008 1 1258 . 117 TRP HZ2 H 7.533 0.006 1 1259 . 117 TRP HZ3 H 6.633 0.000 1 1260 . 117 TRP N N 121.625 0.032 1 1261 . 117 TRP NE1 N 130.988 0.019 1 1262 . 118 LYS C C 174.415 0.000 1 1263 . 118 LYS CA C 55.371 0.027 1 1264 . 118 LYS CB C 34.480 0.038 1 1265 . 118 LYS CD C 28.998 0.042 1 1266 . 118 LYS CE C 41.867 0.076 1 1267 . 118 LYS CG C 23.867 0.020 1 1268 . 118 LYS HA H 4.420 0.007 1 1269 . 118 LYS HB2 H 1.568 0.005 1 1270 . 118 LYS HB3 H 1.595 0.003 1 1271 . 118 LYS HG2 H 1.258 0.013 1 1272 . 118 LYS HG3 H 1.308 0.003 1 1273 . 118 LYS H H 8.107 0.010 1 1274 . 118 LYS N N 128.751 0.022 1 1275 . 118 LYS HD2 H 1.583 0.005 1 1276 . 118 LYS HE2 H 2.916 0.007 1 1277 . 119 HIS CA C 53.915 0.050 1 1278 . 119 HIS CB C 28.320 0.031 1 1279 . 119 HIS CD2 C 120.760 0.020 1 1280 . 119 HIS CE1 C 137.789 0.021 1 1281 . 119 HIS HA H 4.379 0.008 1 1282 . 119 HIS HB2 H 2.485 0.008 1 1283 . 119 HIS HB3 H 2.702 0.009 1 1284 . 119 HIS HD2 H 6.848 0.007 1 1285 . 119 HIS HE1 H 8.691 0.003 1 1286 . 119 HIS H H 9.312 0.008 1 1287 . 119 HIS N N 127.853 0.035 1 1288 . 120 PRO C C 174.674 0.000 1 1289 . 120 PRO CA C 62.980 0.043 1 1290 . 120 PRO CB C 33.681 0.021 1 1291 . 120 PRO CD C 49.457 0.046 1 1292 . 120 PRO CG C 23.356 0.015 1 1293 . 120 PRO HA H 3.407 0.006 1 1294 . 120 PRO HB2 H 0.717 0.010 1 1295 . 120 PRO HB3 H 1.888 0.002 1 1296 . 120 PRO HD2 H 3.156 0.005 1 1297 . 120 PRO HD3 H 3.364 0.011 1 1298 . 120 PRO HG2 H 1.367 0.010 1 1299 . 120 PRO HG3 H 1.653 0.013 1 1300 . 121 GLN C C 176.403 0.000 1 1301 . 121 GLN CA C 60.026 0.041 1 1302 . 121 GLN CB C 27.547 0.034 1 1303 . 121 GLN CG C 34.314 0.020 1 1304 . 121 GLN HA H 3.750 0.005 1 1305 . 121 GLN HB2 H 1.828 0.007 1 1306 . 121 GLN HB3 H 1.986 0.008 1 1307 . 121 GLN HE21 H 7.350 0.012 1 1308 . 121 GLN HE22 H 6.630 0.012 1 1309 . 121 GLN HG2 H 2.159 0.010 1 1310 . 121 GLN HG3 H 2.363 0.013 1 1311 . 121 GLN H H 7.994 0.008 1 1312 . 121 GLN N N 125.942 0.027 1 1313 . 121 GLN NE2 N 111.220 0.037 1 1314 . 122 SER C C 171.202 0.000 1 1315 . 122 SER CA C 56.549 0.068 1 1316 . 122 SER CB C 60.516 0.024 1 1317 . 122 SER HA H 4.273 0.011 1 1318 . 122 SER HB2 H 1.168 0.009 1 1319 . 122 SER HB3 H 1.884 0.009 1 1320 . 122 SER HG H 6.893 0.010 1 1321 . 122 SER H H 7.816 0.016 1 1322 . 122 SER N N 116.130 0.042 1 1323 . 123 ASP C C 174.791 0.000 1 1324 . 123 ASP CA C 52.861 0.043 1 1325 . 123 ASP CB C 41.069 0.011 1 1326 . 123 ASP HA H 4.532 0.007 1 1327 . 123 ASP HB2 H 3.116 0.003 1 1328 . 123 ASP HB3 H 2.815 0.009 1 1329 . 123 ASP H H 8.374 0.011 1 1330 . 123 ASP N N 120.055 0.037 1 1331 . 124 LEU C C 178.563 0.000 1 1332 . 124 LEU CA C 58.170 0.031 1 1333 . 124 LEU CB C 42.486 0.055 1 1334 . 124 LEU CD1 C 24.190 0.046 1 1335 . 124 LEU CD2 C 24.869 0.044 1 1336 . 124 LEU CG C 26.662 0.044 1 1337 . 124 LEU HA H 4.235 0.010 1 1338 . 124 LEU HB2 H 1.451 0.010 1 1339 . 124 LEU HB3 H 2.027 0.006 1 1340 . 124 LEU HG H 2.160 0.003 1 1341 . 124 LEU H H 8.075 0.014 1 1342 . 124 LEU N N 119.103 0.052 1 1343 . 124 LEU HD1 H 0.732 0.009 1 1344 . 124 LEU HD2 H 0.760 0.003 1 1345 . 125 LEU C C 179.540 0.000 1 1346 . 125 LEU CA C 58.242 0.030 1 1347 . 125 LEU CB C 41.483 0.029 1 1348 . 125 LEU CD1 C 25.008 0.032 1 1349 . 125 LEU CD2 C 25.269 0.042 1 1350 . 125 LEU CG C 27.079 0.050 1 1351 . 125 LEU HA H 3.949 0.005 1 1352 . 125 LEU HB2 H 1.563 0.005 1 1353 . 125 LEU HB3 H 1.640 0.002 1 1354 . 125 LEU HG H 1.668 0.006 1 1355 . 125 LEU H H 8.100 0.008 1 1356 . 125 LEU N N 118.654 0.018 1 1357 . 125 LEU HD1 H 0.956 0.003 1 1358 . 125 LEU HD2 H 0.991 0.008 1 1359 . 126 GLY C C 176.430 0.000 1 1360 . 126 GLY CA C 46.311 0.033 1 1361 . 126 GLY HA2 H 3.889 0.010 1 1362 . 126 GLY HA3 H 3.607 0.004 1 1363 . 126 GLY H H 8.664 0.010 1 1364 . 126 GLY N N 108.717 0.032 1 1365 . 127 LEU C C 177.515 0.000 1 1366 . 127 LEU CA C 56.936 0.021 1 1367 . 127 LEU CB C 41.487 0.028 1 1368 . 127 LEU CD1 C 27.722 0.026 1 1369 . 127 LEU CD2 C 23.372 0.034 1 1370 . 127 LEU HA H 3.115 0.010 1 1371 . 127 LEU HB2 H 2.435 0.006 1 1372 . 127 LEU HB3 H 1.804 0.013 1 1373 . 127 LEU HG H 1.394 0.010 1 1374 . 127 LEU H H 7.851 0.008 1 1375 . 127 LEU N N 122.667 0.036 1 1376 . 127 LEU HD1 H 1.049 0.007 1 1377 . 127 LEU HD2 H 0.874 0.006 1 1378 . 128 ILE C C 177.327 0.000 1 1379 . 128 ILE CA C 64.361 0.024 1 1380 . 128 ILE CB C 36.616 0.054 1 1381 . 128 ILE CD1 C 12.766 0.029 1 1382 . 128 ILE CG1 C 29.120 0.036 1 1383 . 128 ILE CG2 C 16.979 0.027 1 1384 . 128 ILE HA H 3.309 0.008 1 1385 . 128 ILE HB H 1.609 0.006 1 1386 . 128 ILE HG12 H 0.924 0.008 1 1387 . 128 ILE HG13 H 1.347 0.016 1 1388 . 128 ILE H H 8.091 0.013 1 1389 . 128 ILE N N 119.404 0.024 1 1390 . 128 ILE HD1 H 0.417 0.011 1 1391 . 128 ILE HG2 H 0.072 0.006 1 1392 . 129 GLN C C 179.070 0.000 1 1393 . 129 GLN CA C 59.594 0.038 1 1394 . 129 GLN CB C 27.741 0.033 1 1395 . 129 GLN CG C 34.257 0.024 1 1396 . 129 GLN HA H 3.816 0.008 1 1397 . 129 GLN HB2 H 2.002 0.004 1 1398 . 129 GLN HB3 H 2.161 0.005 1 1399 . 129 GLN HE21 H 7.234 0.011 1 1400 . 129 GLN HE22 H 6.863 0.014 1 1401 . 129 GLN HG2 H 2.344 0.008 1 1402 . 129 GLN HG3 H 2.551 0.006 1 1403 . 129 GLN H H 7.788 0.016 1 1404 . 129 GLN N N 116.788 0.019 1 1405 . 129 GLN NE2 N 110.815 0.056 1 1406 . 130 VAL C C 177.369 0.000 1 1407 . 130 VAL CA C 65.865 0.012 1 1408 . 130 VAL CB C 30.886 0.043 1 1409 . 130 VAL CG1 C 21.709 0.033 1 1410 . 130 VAL CG2 C 23.038 0.026 1 1411 . 130 VAL HA H 3.620 0.006 1 1412 . 130 VAL HB H 1.854 0.005 1 1413 . 130 VAL H H 7.401 0.014 1 1414 . 130 VAL N N 118.794 0.030 1 1415 . 130 VAL HG1 H 0.819 0.005 1 1416 . 130 VAL HG2 H 0.818 0.002 1 1417 . 131 MET C C 176.694 0.000 1 1418 . 131 MET CA C 60.180 0.031 1 1419 . 131 MET CB C 32.455 0.047 1 1420 . 131 MET CE C 17.351 0.017 1 1421 . 131 MET CG C 33.513 0.059 1 1422 . 131 MET HA H 2.909 0.008 1 1423 . 131 MET HB2 H 1.283 0.011 1 1424 . 131 MET HB3 H 1.928 0.003 1 1425 . 131 MET HG2 H 1.547 0.009 1 1426 . 131 MET HG3 H 2.248 0.009 1 1427 . 131 MET H H 8.139 0.012 1 1428 . 131 MET N N 120.381 0.016 1 1429 . 131 MET HE H 1.800 0.002 1 1430 . 132 ILE C C 178.608 0.000 1 1431 . 132 ILE CA C 66.349 0.083 1 1432 . 132 ILE CB C 38.439 0.024 1 1433 . 132 ILE CD1 C 14.381 0.033 1 1434 . 132 ILE CG1 C 30.345 0.033 1 1435 . 132 ILE CG2 C 17.308 0.026 1 1436 . 132 ILE HA H 3.451 0.008 1 1437 . 132 ILE HB H 1.813 0.005 1 1438 . 132 ILE HG12 H 0.942 0.004 1 1439 . 132 ILE HG13 H 1.714 0.003 1 1440 . 132 ILE H H 7.992 0.011 1 1441 . 132 ILE N N 117.682 0.036 1 1442 . 132 ILE HD1 H 0.854 0.011 1 1443 . 132 ILE HG2 H 1.048 0.016 1 1444 . 133 VAL C C 179.350 0.000 1 1445 . 133 VAL CA C 66.308 0.039 1 1446 . 133 VAL CB C 31.727 0.029 1 1447 . 133 VAL CG1 C 20.886 0.055 1 1448 . 133 VAL CG2 C 22.411 0.031 1 1449 . 133 VAL HA H 3.663 0.012 1 1450 . 133 VAL HB H 2.153 0.006 1 1451 . 133 VAL H H 7.212 0.012 1 1452 . 133 VAL N N 120.068 0.022 1 1453 . 133 VAL HG1 H 0.890 0.008 1 1454 . 133 VAL HG2 H 1.042 0.006 1 1455 . 134 VAL C C 179.612 0.000 1 1456 . 134 VAL CA C 66.165 0.019 1 1457 . 134 VAL CB C 31.295 0.024 1 1458 . 134 VAL CG1 C 22.407 0.066 1 1459 . 134 VAL CG2 C 20.308 0.028 1 1460 . 134 VAL HA H 3.712 0.005 1 1461 . 134 VAL HB H 1.600 0.008 1 1462 . 134 VAL H H 8.581 0.012 1 1463 . 134 VAL N N 120.218 0.012 1 1464 . 134 VAL HG1 H 0.764 0.011 1 1465 . 134 VAL HG2 H 0.580 0.011 1 1466 . 135 PHE C C 176.043 0.000 1 1467 . 135 PHE CA C 54.807 0.000 1 1468 . 135 PHE CB C 36.860 0.023 1 1469 . 135 PHE CD1 C 130.029 0.035 1 1470 . 135 PHE CE1 C 130.054 0.000 1 1471 . 135 PHE HA H 4.881 0.008 1 1472 . 135 PHE HB2 H 3.331 0.006 1 1473 . 135 PHE HB3 H 2.923 0.008 1 1474 . 135 PHE H H 8.964 0.012 1 1475 . 135 PHE N N 119.008 0.014 1 1476 . 135 PHE HD1 H 6.965 0.015 1 1477 . 135 PHE HE1 H 7.030 0.004 1 1478 . 136 GLY C C 174.527 0.000 1 1479 . 136 GLY CA C 46.262 0.026 1 1480 . 136 GLY HA2 H 3.933 0.004 1 1481 . 136 GLY HA3 H 4.218 0.004 1 1482 . 136 GLY H H 7.645 0.014 1 1483 . 136 GLY N N 105.141 0.026 1 1484 . 137 ASP C C 176.572 0.000 1 1485 . 137 ASP CA C 55.032 0.026 1 1486 . 137 ASP CB C 41.109 0.055 1 1487 . 137 ASP HA H 4.977 0.010 1 1488 . 137 ASP H H 7.362 0.012 1 1489 . 137 ASP N N 118.171 0.018 1 1490 . 137 ASP HB2 H 2.952 0.007 1 1491 . 138 GLU CA C 53.038 0.000 1 1492 . 138 GLU CB C 31.018 0.024 1 1493 . 138 GLU CG C 35.647 0.034 1 1494 . 138 GLU HA H 4.659 0.007 1 1495 . 138 GLU HB2 H 2.022 0.004 1 1496 . 138 GLU HB3 H 2.121 0.004 1 1497 . 138 GLU HG2 H 2.272 0.005 1 1498 . 138 GLU HG3 H 2.347 0.006 1 1499 . 138 GLU H H 8.131 0.011 1 1500 . 138 GLU N N 118.698 0.019 1 1501 . 139 PRO CA C 60.997 0.047 1 1502 . 139 PRO CB C 29.859 0.060 1 1503 . 139 PRO CD C 49.831 0.038 1 1504 . 139 PRO CG C 26.639 0.029 1 1505 . 139 PRO HA H 4.546 0.004 1 1506 . 139 PRO HB2 H 0.930 0.008 1 1507 . 139 PRO HB3 H 1.263 0.010 1 1508 . 139 PRO HD2 H 3.225 0.008 1 1509 . 139 PRO HD3 H 3.324 0.005 1 1510 . 139 PRO HG2 H 0.588 0.003 1 1511 . 139 PRO HG3 H 1.027 0.008 1 1512 . 140 PRO C C 174.831 0.000 1 1513 . 140 PRO CA C 62.687 0.066 1 1514 . 140 PRO CB C 32.364 0.031 1 1515 . 140 PRO CD C 49.539 0.029 1 1516 . 140 PRO CG C 25.815 0.047 1 1517 . 140 PRO HA H 4.619 0.007 1 1518 . 140 PRO HD2 H 2.995 0.009 1 1519 . 140 PRO HD3 H 3.186 0.012 1 1520 . 140 PRO HG2 H 0.027 0.004 1 1521 . 140 PRO HG3 H 1.127 0.006 1 1522 . 140 PRO HB2 H 1.649 0.017 1 1523 . 141 VAL C C 172.403 0.000 1 1524 . 141 VAL CA C 56.774 0.024 1 1525 . 141 VAL CB C 36.251 0.058 1 1526 . 141 VAL CG1 C 19.467 0.091 1 1527 . 141 VAL CG2 C 23.728 0.047 1 1528 . 141 VAL HA H 5.048 0.005 1 1529 . 141 VAL HB H 1.627 0.007 1 1530 . 141 VAL H H 6.330 0.012 1 1531 . 141 VAL N N 109.809 0.042 1 1532 . 141 VAL HG1 H 0.595 0.014 1 1533 . 141 VAL HG2 H 0.617 0.010 1 1534 . 142 PHE C C 175.738 0.000 1 1535 . 142 PHE CA C 55.686 0.000 1 1536 . 142 PHE CB C 43.626 0.049 1 1537 . 142 PHE CD1 C 132.259 0.045 1 1538 . 142 PHE CE1 C 130.799 0.048 1 1539 . 142 PHE HA H 4.858 0.020 1 1540 . 142 PHE HB2 H 2.478 0.018 1 1541 . 142 PHE HB3 H 2.880 0.018 1 1542 . 142 PHE H H 7.968 0.014 1 1543 . 142 PHE N N 113.915 0.030 1 1544 . 142 PHE HD1 H 6.913 0.008 1 1545 . 142 PHE HE1 H 7.037 0.013 1 1546 . 143 SER C C 174.292 0.000 1 1547 . 143 SER CA C 58.063 0.041 1 1548 . 143 SER CB C 64.699 0.046 1 1549 . 143 SER HA H 4.655 0.018 1 1550 . 143 SER HB2 H 3.679 0.005 1 1551 . 143 SER HB3 H 3.743 0.005 1 1552 . 143 SER HG H 4.361 0.005 1 1553 . 143 SER H H 8.949 0.008 1 1554 . 143 SER N N 116.657 0.034 1 1555 . 144 ARG CA C 54.221 0.034 1 1556 . 144 ARG CB C 29.828 0.037 1 1557 . 144 ARG CD C 43.361 0.031 1 1558 . 144 ARG CG C 27.295 0.050 1 1559 . 144 ARG HA H 4.556 0.011 1 1560 . 144 ARG HB2 H 1.602 0.003 1 1561 . 144 ARG HB3 H 1.804 0.005 1 1562 . 144 ARG HG2 H 1.497 0.002 1 1563 . 144 ARG HG3 H 1.595 0.004 1 1564 . 144 ARG H H 8.420 0.007 1 1565 . 144 ARG N N 125.366 0.017 1 1566 . 144 ARG HD2 H 3.120 0.006 1 1567 . 145 PRO CA C 64.322 0.036 1 1568 . 145 PRO CB C 31.809 0.054 1 1569 . 145 PRO CD C 50.221 0.025 1 1570 . 145 PRO CG C 27.177 0.032 1 1571 . 145 PRO HA H 4.266 0.008 1 1572 . 145 PRO HB2 H 1.879 0.002 1 1573 . 145 PRO HB3 H 2.222 0.002 1 1574 . 145 PRO HD2 H 3.614 0.006 1 1575 . 145 PRO HD3 H 3.769 0.007 1 1576 . 145 PRO HG2 H 1.960 0.005 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Gag Polyprotein' _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 . 1 PRO C C 156.212 0.000 1 2 . 1 PRO CA C 61.910 0.037 1 3 . 1 PRO CB C 32.527 0.061 1 4 . 1 PRO CD C 49.220 0.064 1 5 . 1 PRO CG C 26.093 0.056 1 6 . 1 PRO HA H 4.297 0.030 1 7 . 1 PRO HB2 H 1.808 0.025 1 8 . 1 PRO HB3 H 2.259 0.019 1 9 . 1 PRO HG2 H 1.658 0.008 1 10 . 1 PRO HG3 H 1.852 0.006 1 11 . 1 PRO HD2 H 3.158 0.017 1 12 . 2 GLU CA C 54.173 0.060 1 13 . 2 GLU CB C 29.436 0.057 1 14 . 2 GLU CG C 35.480 0.071 1 15 . 2 GLU HA H 4.569 0.027 1 16 . 2 GLU HB2 H 1.812 0.008 1 17 . 2 GLU HB3 H 1.961 0.010 1 18 . 2 GLU H H 8.598 0.009 1 19 . 2 GLU N N 121.096 0.000 1 20 . 2 GLU HG2 H 2.262 0.017 1 21 . 3 PRO C C 150.585 0.000 1 22 . 3 PRO CB C 32.008 0.086 1 23 . 3 PRO CD C 50.420 0.092 1 24 . 3 PRO CG C 27.621 0.061 1 25 . 3 PRO HA H 4.336 0.072 1 26 . 3 PRO HB2 H 1.789 0.084 1 27 . 3 PRO HB3 H 1.900 0.082 1 28 . 3 PRO HD2 H 3.574 0.008 1 29 . 3 PRO HD3 H 3.852 0.011 1 30 . 3 PRO HG2 H 1.733 0.011 1 31 . 3 PRO HG3 H 2.030 0.015 1 32 . 4 THR C C 178.588 0.000 1 33 . 4 THR CA C 59.275 0.080 1 34 . 4 THR CB C 73.891 0.083 1 35 . 4 THR CG2 C 23.345 0.033 1 36 . 4 THR HA H 4.547 0.007 1 37 . 4 THR HB H 4.442 0.026 1 38 . 4 THR HG1 H 6.124 0.014 1 39 . 4 THR H H 7.952 0.008 1 40 . 4 THR N N 117.195 0.000 1 41 . 4 THR HG2 H 1.226 0.017 1 42 . 5 ALA CA C 49.036 0.043 1 43 . 5 ALA CB C 20.016 0.036 1 44 . 5 ALA HA H 4.254 0.020 1 45 . 5 ALA H H 8.994 0.013 1 46 . 5 ALA N N 115.284 0.000 1 47 . 5 ALA HB H 0.943 0.012 1 48 . 6 PRO CA C 60.268 0.047 1 49 . 6 PRO CB C 29.905 0.058 1 50 . 6 PRO CD C 48.571 0.042 1 51 . 6 PRO CG C 26.200 0.056 1 52 . 6 PRO HA H 4.054 0.008 1 53 . 6 PRO HB2 H 1.729 0.010 1 54 . 6 PRO HB3 H 1.939 0.009 1 55 . 6 PRO HD2 H 2.095 0.012 1 56 . 6 PRO HD3 H 3.243 0.017 1 57 . 6 PRO HG2 H 0.648 0.012 1 58 . 6 PRO HG3 H 1.090 0.011 1 59 . 7 PRO C C 181.355 0.000 1 60 . 7 PRO CA C 62.439 0.000 1 61 . 7 PRO CB C 31.821 0.062 1 62 . 7 PRO CD C 50.159 0.050 1 63 . 7 PRO CG C 27.235 0.067 1 64 . 7 PRO HA H 4.703 0.012 1 65 . 7 PRO HB2 H 1.971 0.009 1 66 . 7 PRO HB3 H 2.267 0.005 1 67 . 7 PRO HD2 H 3.705 0.014 1 68 . 7 PRO HD3 H 3.869 0.015 1 69 . 7 PRO HG2 H 2.132 0.005 1 70 . 8 GLU C C 173.168 0.000 1 71 . 8 GLU CA C 57.487 0.054 1 72 . 8 GLU CB C 30.202 0.094 1 73 . 8 GLU CG C 35.961 0.125 1 74 . 8 GLU HA H 3.648 0.012 1 75 . 8 GLU HB2 H 1.713 0.009 1 76 . 8 GLU HB3 H 1.820 0.044 1 77 . 8 GLU H H 8.313 0.019 1 78 . 8 GLU N N 120.877 0.000 1 79 . 8 GLU HG2 H 1.991 0.065 1 80 . 9 GLU CA C 57.293 0.031 1 81 . 9 GLU CB C 31.310 0.080 1 82 . 9 GLU CG C 36.410 0.041 1 83 . 9 GLU HA H 4.083 0.029 1 84 . 9 GLU HB2 H 1.707 0.009 1 85 . 9 GLU HB3 H 1.986 0.010 1 86 . 9 GLU H H 7.628 0.014 1 87 . 9 GLU N N 128.572 0.000 1 88 . 9 GLU HG2 H 2.225 0.019 1 stop_ save_