data_4920 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _BMRB_accession_number 4920 _BMRB_flat_file_name bmr4920.str _Entry_type original _Submission_date 2000-12-13 _Accession_date 2000-12-13 _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 Liepinsh Edvards . . 2 Baryshev Michail . . 3 Sharipo Anatoly . . 4 Ingelman-Sundberg Magnus . . 5 Otting Gottfried . . 6 Mkrtchian Souren . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 720 "13C chemical shifts" 224 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-08 original author . stop_ _Original_release_date 2001-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21345414 _PubMed_ID 11435111 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Baryshev Michail . . 3 Sharipo Anatoly . . 4 Ingelman-Sundberg Magnus . . 5 Otting Gottfried . . 6 Mkrtchian Souren . . stop_ _Journal_abbreviation Structure _Journal_volume 9 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 457 _Page_last 471 _Year 2001 _Details . loop_ _Keyword 'Nuclear magnetic resonance spectroscopy' 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_ERp29 _Saveframe_category molecular_system _Mol_system_name 'ERp29 C-domain' _Abbreviation_common ERp29 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ERp29 C-domain' $ERp29 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ERp29 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Endoplasmic reticulum protein p29' _Abbreviation_common ERp29 _Molecular_mass 13478 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MRGSHHHHHHGIRMPGCLPA YDALAGQFIEASSREARQAI LKQGQDGLSGVKETDKKWAS QYLKIMGKILDQGEDFPASE LARISKLIENKMSEGKKEEL QRSLNILTAFRKKGAEKEEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 ILE 13 ARG 14 MET 15 PRO 16 GLY 17 CYS 18 LEU 19 PRO 20 ALA 21 TYR 22 ASP 23 ALA 24 LEU 25 ALA 26 GLY 27 GLN 28 PHE 29 ILE 30 GLU 31 ALA 32 SER 33 SER 34 ARG 35 GLU 36 ALA 37 ARG 38 GLN 39 ALA 40 ILE 41 LEU 42 LYS 43 GLN 44 GLY 45 GLN 46 ASP 47 GLY 48 LEU 49 SER 50 GLY 51 VAL 52 LYS 53 GLU 54 THR 55 ASP 56 LYS 57 LYS 58 TRP 59 ALA 60 SER 61 GLN 62 TYR 63 LEU 64 LYS 65 ILE 66 MET 67 GLY 68 LYS 69 ILE 70 LEU 71 ASP 72 GLN 73 GLY 74 GLU 75 ASP 76 PHE 77 PRO 78 ALA 79 SER 80 GLU 81 LEU 82 ALA 83 ARG 84 ILE 85 SER 86 LYS 87 LEU 88 ILE 89 GLU 90 ASN 91 LYS 92 MET 93 SER 94 GLU 95 GLY 96 LYS 97 LYS 98 GLU 99 GLU 100 LEU 101 GLN 102 ARG 103 SER 104 LEU 105 ASN 106 ILE 107 LEU 108 THR 109 ALA 110 PHE 111 ARG 112 LYS 113 LYS 114 GLY 115 ALA 116 GLU 117 LYS 118 GLU 119 GLU 120 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-03 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 PDB 1G7D "Nmr Structure Of Erp29 C-Domain" 88.33 106 100.00 100.00 1.06e-68 PDB 2M66 "Endoplasmic Reticulum Protein 29 (erp29) C-terminal Domain: 3d Protein Fold Determination From Backbone Amide Pseudocontact Shi" 88.33 106 100.00 100.00 1.06e-68 EMBL CAA71313 "ERp29 precursor [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 GB AAC15239 "endoplasmic reticulum protein ERp29 precursor [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 GB AAF93170 "endoplasmic reticulum protein 29 precursor [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 GB AAH91129 "Endoplasmic reticulum protein 29 [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 GB EDM13737 "endoplasmic reticulum protein 29, isoform CRA_a [Rattus norvegicus]" 89.17 159 100.00 100.00 9.48e-69 GB EDM13738 "endoplasmic reticulum protein 29, isoform CRA_b [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 REF NP_446413 "endoplasmic reticulum resident protein 29 precursor [Rattus norvegicus]" 89.17 260 100.00 100.00 6.89e-68 SP P52555 "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 31; " 89.17 260 100.00 100.00 6.89e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Fraction $ERp29 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus liver 'endoplasmic reticulum' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ERp29 'recombinant technology' E.coli Escherichia coli JM109 plasmid pQE30 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 $ERp29 2 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERp29 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label . save_ save_2D_1H-1H_CLEAN_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN TOCSY' _Sample_label . save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.9 0.1 n/a temperature 308 1 K 'ionic strength' 0.15 .02 M 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ERp29 C-domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 55.500 0.100 1 2 . 1 MET HA H 4.001 0.020 1 3 . 1 MET HB2 H 2.133 0.020 2 4 . 1 MET HB3 H 2.195 0.020 2 5 . 1 MET HG2 H 2.524 0.020 2 6 . 1 MET HG3 H 2.577 0.020 2 7 . 1 MET HE H 2.150 0.020 1 8 . 1 MET C C 173.600 0.100 1 9 . 2 ARG N N 119.100 0.100 1 10 . 2 ARG H H 7.207 0.020 1 11 . 2 ARG CA C 56.200 0.100 1 12 . 2 ARG HA H 4.453 0.020 1 13 . 2 ARG HB2 H 1.807 0.020 2 14 . 2 ARG HB3 H 1.866 0.020 2 15 . 2 ARG HG2 H 1.650 0.020 2 16 . 2 ARG HG3 H 1.675 0.020 2 17 . 2 ARG HD2 H 3.206 0.020 1 18 . 2 ARG HD3 H 3.206 0.020 1 19 . 2 ARG C C 177.300 0.100 1 20 . 3 GLY N N 111.300 0.100 1 21 . 3 GLY H H 8.546 0.020 1 22 . 3 GLY CA C 44.600 0.100 1 23 . 3 GLY HA2 H 3.956 0.020 1 24 . 3 GLY HA3 H 3.956 0.020 1 25 . 3 GLY C C 173.900 0.100 1 26 . 4 SER N N 115.300 0.100 1 27 . 4 SER H H 8.175 0.020 1 28 . 4 SER CA C 56.800 0.100 1 29 . 4 SER HA H 4.397 0.020 1 30 . 4 SER HB2 H 3.775 0.020 1 31 . 4 SER HB3 H 3.738 0.020 1 32 . 10 HIS HA H 4.661 0.020 1 33 . 10 HIS HB2 H 3.126 0.020 2 34 . 10 HIS HB3 H 3.224 0.020 2 35 . 10 HIS HD1 H 7.217 0.020 1 36 . 10 HIS HE1 H 8.427 0.020 1 37 . 10 HIS C C 176.100 0.100 1 38 . 11 GLY N N 111.000 0.100 1 39 . 11 GLY H H 8.472 0.020 1 40 . 11 GLY CA C 44.800 0.100 1 41 . 11 GLY HA2 H 3.881 0.020 2 42 . 11 GLY HA3 H 3.971 0.020 2 43 . 11 GLY C C 173.700 0.100 1 44 . 12 ILE N N 120.300 0.100 1 45 . 12 ILE H H 8.002 0.020 1 46 . 12 ILE CA C 60.200 0.100 1 47 . 12 ILE HA H 4.151 0.020 1 48 . 12 ILE HB H 1.801 0.020 1 49 . 12 ILE HG2 H 0.858 0.020 1 50 . 12 ILE HG12 H 1.126 0.020 2 51 . 12 ILE HG13 H 1.381 0.020 2 52 . 12 ILE HD1 H 0.816 0.020 1 53 . 12 ILE C C 175.900 0.100 1 54 . 13 ARG N N 126.000 0.100 1 55 . 13 ARG H H 8.438 0.020 1 56 . 13 ARG CA C 55.800 0.100 1 57 . 13 ARG HA H 4.275 0.020 1 58 . 13 ARG HB2 H 1.723 0.020 2 59 . 13 ARG HB3 H 1.772 0.020 2 60 . 13 ARG HG2 H 1.529 0.020 2 61 . 13 ARG HG3 H 1.589 0.020 2 62 . 13 ARG HD2 H 3.152 0.020 1 63 . 13 ARG HD3 H 3.152 0.020 1 64 . 13 ARG NE N 84.900 0.100 1 65 . 13 ARG HE H 7.300 0.020 1 66 . 13 ARG C C 173.800 0.100 1 67 . 14 MET N N 124.000 0.100 1 68 . 14 MET H H 8.325 0.020 1 69 . 14 MET CA C 57.500 0.100 1 70 . 14 MET HA H 4.730 0.020 1 71 . 14 MET HB3 H 1.910 0.020 1 72 . 14 MET HB2 H 1.963 0.020 1 73 . 14 MET HG2 H 2.439 0.020 2 74 . 14 MET HG3 H 2.538 0.020 2 75 . 14 MET HE H 2.020 0.020 1 76 . 15 PRO CA C 63.200 0.100 1 77 . 15 PRO HA H 4.201 0.020 1 78 . 15 PRO HB2 H 1.677 0.020 1 79 . 15 PRO HB3 H 2.166 0.020 1 80 . 15 PRO HG3 H 1.941 0.020 2 81 . 15 PRO HG2 H 1.999 0.020 2 82 . 15 PRO HD2 H 3.538 0.020 2 83 . 15 PRO HD3 H 3.818 0.020 2 84 . 15 PRO C C 176.600 0.100 1 85 . 16 GLY N N 111.100 0.100 1 86 . 16 GLY H H 8.194 0.020 1 87 . 16 GLY CA C 43.800 0.100 1 88 . 16 GLY HA2 H 2.823 0.020 2 89 . 16 GLY HA3 H 3.809 0.020 2 90 . 16 GLY C C 179.200 0.100 1 91 . 17 CYS N N 115.600 0.100 1 92 . 17 CYS H H 7.760 0.020 1 93 . 17 CYS CA C 58.600 0.100 1 94 . 17 CYS HA H 4.751 0.020 1 95 . 17 CYS HB2 H 2.823 0.020 1 96 . 17 CYS HB3 H 3.343 0.020 1 97 . 17 CYS C C 178.200 0.100 1 98 . 18 LEU N N 122.700 0.100 1 99 . 18 LEU H H 8.150 0.020 1 100 . 18 LEU CA C 50.700 0.100 1 101 . 18 LEU HA H 5.095 0.020 1 102 . 18 LEU HB2 H 1.735 0.020 1 103 . 18 LEU HB3 H 1.807 0.020 1 104 . 18 LEU HG H 1.891 0.020 1 105 . 18 LEU HD1 H 1.034 0.020 1 106 . 18 LEU HD2 H 1.034 0.020 1 107 . 19 PRO CA C 65.200 0.100 1 108 . 19 PRO HA H 4.349 0.020 1 109 . 19 PRO HB2 H 2.046 0.020 1 110 . 19 PRO HB3 H 2.419 0.020 1 111 . 19 PRO HG2 H 2.035 0.020 1 112 . 19 PRO HG3 H 2.208 0.020 1 113 . 19 PRO HD2 H 3.888 0.020 2 114 . 19 PRO HD3 H 3.970 0.020 2 115 . 19 PRO C C 179.000 0.100 1 116 . 20 ALA N N 119.400 0.100 1 117 . 20 ALA H H 9.095 0.020 1 118 . 20 ALA CA C 55.300 0.100 1 119 . 20 ALA HA H 4.076 0.020 1 120 . 20 ALA HB H 1.296 0.020 1 121 . 20 ALA C C 180.800 0.100 1 122 . 21 TYR N N 117.000 0.100 1 123 . 21 TYR H H 7.100 0.020 1 124 . 21 TYR CA C 61.300 0.100 1 125 . 21 TYR HA H 3.617 0.020 1 126 . 21 TYR HB3 H 1.193 0.020 1 127 . 21 TYR HB2 H 1.906 0.020 1 128 . 21 TYR HD1 H 6.725 0.020 1 129 . 21 TYR HD2 H 6.725 0.020 1 130 . 21 TYR HE1 H 7.460 0.020 1 131 . 21 TYR HE2 H 7.460 0.020 1 132 . 21 TYR C C 176.900 0.100 1 133 . 22 ASP N N 123.700 0.100 1 134 . 22 ASP H H 8.669 0.020 1 135 . 22 ASP CA C 57.400 0.100 1 136 . 22 ASP HA H 4.392 0.020 1 137 . 22 ASP HB3 H 2.698 0.020 1 138 . 22 ASP HB2 H 2.755 0.020 1 139 . 22 ASP C C 176.400 0.100 1 140 . 23 ALA N N 122.000 0.100 1 141 . 23 ALA H H 7.630 0.020 1 142 . 23 ALA CA C 54.100 0.100 1 143 . 23 ALA HA H 4.155 0.020 1 144 . 23 ALA HB H 1.393 0.020 1 145 . 23 ALA C C 180.900 0.100 1 146 . 24 LEU N N 118.800 0.100 1 147 . 24 LEU H H 7.142 0.020 1 148 . 24 LEU CA C 56.900 0.100 1 149 . 24 LEU HA H 3.989 0.020 1 150 . 24 LEU HB2 H 1.188 0.020 1 151 . 24 LEU HB3 H 1.586 0.020 1 152 . 24 LEU HG H 1.625 0.020 1 153 . 24 LEU HD1 H 0.356 0.020 1 154 . 24 LEU HD2 H 0.737 0.020 1 155 . 24 LEU C C 178.600 0.100 1 156 . 25 ALA N N 122.200 0.100 1 157 . 25 ALA H H 8.638 0.020 1 158 . 25 ALA CA C 55.000 0.100 1 159 . 25 ALA HA H 3.567 0.020 1 160 . 25 ALA HB H 0.530 0.020 1 161 . 25 ALA C C 179.000 0.100 1 162 . 26 GLY N N 103.300 0.100 1 163 . 26 GLY H H 7.668 0.020 1 164 . 26 GLY CA C 46.400 0.100 1 165 . 26 GLY HA2 H 3.910 0.020 1 166 . 26 GLY HA3 H 3.910 0.020 1 167 . 26 GLY C C 176.800 0.100 1 168 . 27 GLN N N 120.600 0.100 1 169 . 27 GLN H H 7.754 0.020 1 170 . 27 GLN CA C 57.900 0.100 1 171 . 27 GLN HA H 4.053 0.020 1 172 . 27 GLN HB3 H 2.139 0.020 1 173 . 27 GLN HB2 H 2.256 0.020 1 174 . 27 GLN HG2 H 2.399 0.020 2 175 . 27 GLN HG3 H 2.521 0.020 2 176 . 27 GLN NE2 N 109.800 0.100 1 177 . 27 GLN HE21 H 7.152 0.020 1 178 . 27 GLN HE22 H 6.687 0.020 1 179 . 27 GLN C C 178.800 0.100 1 180 . 28 PHE N N 121.000 0.100 1 181 . 28 PHE H H 9.125 0.020 1 182 . 28 PHE CA C 61.600 0.100 1 183 . 28 PHE HA H 3.982 0.020 1 184 . 28 PHE HB2 H 3.425 0.020 1 185 . 28 PHE HB3 H 3.756 0.020 1 186 . 28 PHE HD1 H 7.378 0.020 1 187 . 28 PHE HD2 H 7.378 0.020 1 188 . 28 PHE HE1 H 7.427 0.020 1 189 . 28 PHE HE2 H 7.427 0.020 1 190 . 28 PHE HZ H 7.511 0.020 1 191 . 28 PHE C C 177.400 0.100 1 192 . 29 ILE N N 117.800 0.100 1 193 . 29 ILE H H 8.534 0.020 1 194 . 29 ILE CA C 60.700 0.100 1 195 . 29 ILE HA H 4.254 0.020 1 196 . 29 ILE HB H 2.281 0.020 1 197 . 29 ILE HG2 H 1.193 0.020 1 198 . 29 ILE HG12 H 1.666 0.020 2 199 . 29 ILE HG13 H 2.055 0.020 2 200 . 29 ILE HD1 H 1.215 0.020 1 201 . 29 ILE C C 177.500 0.100 1 202 . 30 GLU N N 118.700 0.100 1 203 . 30 GLU H H 7.538 0.020 1 204 . 30 GLU CA C 56.300 0.100 1 205 . 30 GLU HA H 4.174 0.020 1 206 . 30 GLU HB2 H 2.010 0.020 1 207 . 30 GLU HB3 H 2.160 0.020 1 208 . 30 GLU HG2 H 2.433 0.020 2 209 . 30 GLU HG3 H 2.481 0.020 2 210 . 30 GLU C C 176.600 0.100 1 211 . 31 ALA N N 123.500 0.100 1 212 . 31 ALA H H 7.304 0.020 1 213 . 31 ALA CA C 52.000 0.100 1 214 . 31 ALA HA H 4.254 0.020 1 215 . 31 ALA HB H 1.396 0.020 1 216 . 31 ALA C C 177.900 0.100 1 217 . 32 SER N N 112.700 0.100 1 218 . 32 SER H H 8.376 0.020 1 219 . 32 SER CA C 58.000 0.100 1 220 . 32 SER HA H 4.472 0.020 1 221 . 32 SER HB2 H 3.873 0.020 1 222 . 32 SER HB3 H 4.037 0.020 1 223 . 32 SER C C 174.400 0.100 1 224 . 33 SER N N 114.100 0.100 1 225 . 33 SER H H 7.463 0.020 1 226 . 33 SER CA C 55.700 0.100 1 227 . 33 SER HA H 4.792 0.020 1 228 . 33 SER HB3 H 3.944 0.020 1 229 . 33 SER HB2 H 4.272 0.020 1 230 . 33 SER C C 174.500 0.100 1 231 . 34 ARG N N 125.000 0.100 1 232 . 34 ARG H H 9.016 0.020 1 233 . 34 ARG CA C 59.000 0.100 1 234 . 34 ARG HA H 3.821 0.020 1 235 . 34 ARG HB2 H 1.771 0.020 1 236 . 34 ARG HB3 H 1.884 0.020 1 237 . 34 ARG HG3 H 1.516 0.020 2 238 . 34 ARG HG2 H 1.671 0.020 2 239 . 34 ARG HD2 H 3.230 0.020 2 240 . 34 ARG HD3 H 3.277 0.020 2 241 . 34 ARG NE N 84.400 0.100 1 242 . 34 ARG HE H 7.334 0.020 1 243 . 34 ARG C C 178.400 0.100 1 244 . 35 GLU N N 118.700 0.100 1 245 . 35 GLU H H 8.997 0.020 1 246 . 35 GLU CA C 59.400 0.100 1 247 . 35 GLU HA H 4.086 0.020 1 248 . 35 GLU HB3 H 1.964 0.020 1 249 . 35 GLU HB2 H 2.081 0.020 1 250 . 35 GLU HG2 H 2.314 0.020 2 251 . 35 GLU HG3 H 2.467 0.020 2 252 . 35 GLU C C 179.700 0.100 1 253 . 36 ALA N N 123.400 0.100 1 254 . 36 ALA H H 7.937 0.020 1 255 . 36 ALA CA C 54.000 0.100 1 256 . 36 ALA HA H 4.225 0.020 1 257 . 36 ALA HB H 1.503 0.020 1 258 . 36 ALA C C 181.000 0.100 1 259 . 37 ARG N N 118.300 0.100 1 260 . 37 ARG H H 7.754 0.020 1 261 . 37 ARG CA C 60.200 0.100 1 262 . 37 ARG HA H 3.670 0.020 1 263 . 37 ARG HB3 H 1.466 0.020 1 264 . 37 ARG HB2 H 1.853 0.020 1 265 . 37 ARG HG3 H 0.538 0.020 2 266 . 37 ARG HG2 H 1.628 0.020 2 267 . 37 ARG HD2 H 2.065 0.020 2 268 . 37 ARG HD3 H 2.773 0.020 2 269 . 37 ARG NE N 85.100 0.100 1 270 . 37 ARG HE H 6.302 0.020 1 271 . 37 ARG C C 178.600 0.100 1 272 . 38 GLN N N 119.500 0.100 1 273 . 38 GLN H H 8.888 0.020 1 274 . 38 GLN CA C 58.700 0.100 1 275 . 38 GLN HA H 4.031 0.020 1 276 . 38 GLN HB3 H 2.108 0.020 1 277 . 38 GLN HB2 H 2.331 0.020 1 278 . 38 GLN HG2 H 2.417 0.020 2 279 . 38 GLN HG3 H 2.586 0.020 2 280 . 38 GLN NE2 N 113.100 0.100 1 281 . 38 GLN HE21 H 7.291 0.020 1 282 . 38 GLN HE22 H 6.786 0.020 1 283 . 38 GLN C C 180.600 0.100 1 284 . 39 ALA N N 123.000 0.100 1 285 . 39 ALA H H 7.799 0.020 1 286 . 39 ALA CA C 54.300 0.100 1 287 . 39 ALA HA H 4.270 0.020 1 288 . 39 ALA HB H 1.581 0.020 1 289 . 39 ALA C C 178.800 0.100 1 290 . 40 ILE N N 122.800 0.100 1 291 . 40 ILE H H 7.814 0.020 1 292 . 40 ILE CA C 64.200 0.100 1 293 . 40 ILE HA H 3.842 0.020 1 294 . 40 ILE HB H 2.140 0.020 1 295 . 40 ILE HG2 H 1.194 0.020 1 296 . 40 ILE HG12 H 1.170 0.020 2 297 . 40 ILE HG13 H 1.828 0.020 2 298 . 40 ILE HD1 H 0.813 0.020 1 299 . 40 ILE C C 177.600 0.100 1 300 . 41 LEU N N 123.000 0.100 1 301 . 41 LEU H H 8.385 0.020 1 302 . 41 LEU CA C 58.100 0.100 1 303 . 41 LEU HA H 4.282 0.020 1 304 . 41 LEU HB2 H 1.632 0.020 1 305 . 41 LEU HB3 H 2.162 0.020 1 306 . 41 LEU HG H 1.627 0.020 1 307 . 41 LEU HD1 H 0.917 0.020 2 308 . 41 LEU HD2 H 1.042 0.020 2 309 . 41 LEU C C 178.800 0.100 1 310 . 42 LYS N N 119.300 0.100 1 311 . 42 LYS H H 8.032 0.020 1 312 . 42 LYS CA C 58.600 0.100 1 313 . 42 LYS HA H 4.185 0.020 1 314 . 42 LYS HB2 H 1.947 0.020 1 315 . 42 LYS HB3 H 2.065 0.020 1 316 . 42 LYS HG3 H 1.524 0.020 2 317 . 42 LYS HG2 H 1.678 0.020 2 318 . 42 LYS HD2 H 1.808 0.020 1 319 . 42 LYS HD3 H 1.808 0.020 1 320 . 42 LYS HE2 H 3.047 0.020 1 321 . 42 LYS HE3 H 3.047 0.020 1 322 . 42 LYS C C 178.600 0.100 1 323 . 43 GLN N N 119.300 0.100 1 324 . 43 GLN H H 7.945 0.020 1 325 . 43 GLN CA C 58.400 0.100 1 326 . 43 GLN HA H 4.159 0.020 1 327 . 43 GLN HB2 H 2.146 0.020 1 328 . 43 GLN HB3 H 2.376 0.020 1 329 . 43 GLN HG3 H 2.342 0.020 2 330 . 43 GLN HG2 H 2.548 0.020 2 331 . 43 GLN NE2 N 110.300 0.100 1 332 . 43 GLN HE21 H 7.202 0.020 1 333 . 43 GLN HE22 H 6.721 0.020 1 334 . 43 GLN C C 180.600 0.100 1 335 . 44 GLY N N 108.400 0.100 1 336 . 44 GLY H H 8.746 0.020 1 337 . 44 GLY CA C 46.300 0.100 1 338 . 44 GLY HA2 H 3.654 0.020 1 339 . 44 GLY HA3 H 3.544 0.020 1 340 . 44 GLY C C 176.300 0.100 1 341 . 45 GLN N N 125.500 0.100 1 342 . 45 GLN H H 8.943 0.020 1 343 . 45 GLN CA C 58.400 0.100 1 344 . 45 GLN HA H 4.081 0.020 1 345 . 45 GLN HB3 H 2.173 0.020 1 346 . 45 GLN HB2 H 2.458 0.020 1 347 . 45 GLN HG2 H 2.446 0.020 2 348 . 45 GLN HG3 H 2.551 0.020 2 349 . 45 GLN NE2 N 110.600 0.100 1 350 . 45 GLN HE21 H 7.386 0.020 1 351 . 45 GLN HE22 H 6.722 0.020 1 352 . 45 GLN C C 179.500 0.100 1 353 . 46 ASP N N 120.900 0.100 1 354 . 46 ASP H H 9.065 0.020 1 355 . 46 ASP CA C 56.300 0.100 1 356 . 46 ASP HA H 4.418 0.020 1 357 . 46 ASP HB3 H 2.707 0.020 1 358 . 46 ASP HB2 H 2.788 0.020 1 359 . 46 ASP C C 178.800 0.100 1 360 . 47 GLY N N 105.200 0.100 1 361 . 47 GLY H H 7.934 0.020 1 362 . 47 GLY CA C 44.900 0.100 1 363 . 47 GLY HA2 H 3.811 0.020 2 364 . 47 GLY HA3 H 4.087 0.020 2 365 . 47 GLY C C 176.100 0.100 1 366 . 48 LEU N N 123.100 0.100 1 367 . 48 LEU H H 7.461 0.020 1 368 . 48 LEU CA C 56.900 0.100 1 369 . 48 LEU HA H 4.105 0.020 1 370 . 48 LEU HB2 H 1.657 0.020 1 371 . 48 LEU HB3 H 1.826 0.020 1 372 . 48 LEU HG H 1.894 0.020 1 373 . 48 LEU HD1 H 0.911 0.020 1 374 . 48 LEU HD2 H 0.810 0.020 1 375 . 48 LEU C C 178.900 0.100 1 376 . 49 SER N N 111.100 0.100 1 377 . 49 SER H H 7.688 0.020 1 378 . 49 SER CA C 59.900 0.100 1 379 . 49 SER HA H 4.192 0.020 1 380 . 49 SER HB3 H 3.979 0.020 1 381 . 49 SER HB2 H 4.008 0.020 1 382 . 49 SER C C 175.600 0.100 1 383 . 50 GLY N N 108.200 0.100 1 384 . 50 GLY H H 7.856 0.020 1 385 . 50 GLY CA C 44.100 0.100 1 386 . 50 GLY HA3 H 3.741 0.020 1 387 . 50 GLY HA2 H 4.410 0.020 1 388 . 50 GLY C C 174.300 0.100 1 389 . 51 VAL N N 122.300 0.100 1 390 . 51 VAL H H 7.389 0.020 1 391 . 51 VAL CA C 60.600 0.100 1 392 . 51 VAL HA H 4.166 0.020 1 393 . 51 VAL HB H 2.214 0.020 1 394 . 51 VAL HG1 H 1.062 0.020 1 395 . 51 VAL HG2 H 1.117 0.020 1 396 . 51 VAL C C 175.900 0.100 1 397 . 52 LYS N N 127.000 0.100 1 398 . 52 LYS H H 8.828 0.020 1 399 . 52 LYS CA C 56.200 0.100 1 400 . 52 LYS HA H 4.241 0.020 1 401 . 52 LYS HB2 H 1.952 0.020 1 402 . 52 LYS HB3 H 1.952 0.020 1 403 . 52 LYS HG2 H 1.620 0.020 1 404 . 52 LYS HG3 H 1.620 0.020 1 405 . 52 LYS HD2 H 1.767 0.020 1 406 . 52 LYS HD3 H 1.767 0.020 1 407 . 52 LYS HE2 H 3.072 0.020 1 408 . 52 LYS HE3 H 3.072 0.020 1 409 . 52 LYS C C 178.700 0.100 1 410 . 53 GLU N N 123.500 0.100 1 411 . 53 GLU H H 8.864 0.020 1 412 . 53 GLU CA C 59.900 0.100 1 413 . 53 GLU HA H 3.854 0.020 1 414 . 53 GLU HB3 H 2.072 0.020 1 415 . 53 GLU HB2 H 2.213 0.020 1 416 . 53 GLU HG2 H 2.317 0.020 2 417 . 53 GLU HG3 H 2.387 0.020 2 418 . 53 GLU C C 179.100 0.100 1 419 . 54 THR N N 107.400 0.100 1 420 . 54 THR H H 7.898 0.020 1 421 . 54 THR CA C 63.300 0.100 1 422 . 54 THR HA H 4.099 0.020 1 423 . 54 THR HB H 4.371 0.020 1 424 . 54 THR HG2 H 1.325 0.020 1 425 . 54 THR C C 175.100 0.100 1 426 . 55 ASP N N 119.300 0.100 1 427 . 55 ASP H H 7.762 0.020 1 428 . 55 ASP CA C 54.200 0.100 1 429 . 55 ASP HA H 5.215 0.020 1 430 . 55 ASP HB2 H 2.722 0.020 1 431 . 55 ASP HB3 H 2.943 0.020 1 432 . 55 ASP C C 178.200 0.100 1 433 . 56 LYS N N 124.000 0.100 1 434 . 56 LYS H H 7.640 0.020 1 435 . 56 LYS CA C 60.500 0.100 1 436 . 56 LYS HA H 3.633 0.020 1 437 . 56 LYS HB2 H 1.836 0.020 1 438 . 56 LYS HB3 H 1.836 0.020 1 439 . 56 LYS HG2 H 1.232 0.020 4 440 . 56 LYS HG3 H 1.627 0.020 4 441 . 56 LYS HD2 H 1.681 0.020 4 442 . 56 LYS HD3 H 1.681 0.020 4 443 . 56 LYS HE2 H 3.023 0.020 1 444 . 56 LYS HE3 H 3.023 0.020 1 445 . 56 LYS C C 178.400 0.100 1 446 . 57 LYS N N 117.700 0.100 1 447 . 57 LYS H H 8.316 0.020 1 448 . 57 LYS CA C 57.700 0.100 1 449 . 57 LYS HA H 3.886 0.020 1 450 . 57 LYS HB3 H 1.147 0.020 1 451 . 57 LYS HB2 H 1.445 0.020 1 452 . 57 LYS HG3 H 0.222 0.020 2 453 . 57 LYS HG2 H 0.570 0.020 2 454 . 57 LYS HD2 H 1.149 0.020 2 455 . 57 LYS HD3 H 1.209 0.020 2 456 . 57 LYS HE2 H 2.440 0.020 2 457 . 57 LYS HE3 H 2.533 0.020 2 458 . 57 LYS C C 177.900 0.100 1 459 . 58 TRP N N 121.600 0.100 1 460 . 58 TRP H H 6.829 0.020 1 461 . 58 TRP CA C 57.000 0.100 1 462 . 58 TRP HA H 4.802 0.020 1 463 . 58 TRP HB2 H 3.246 0.020 1 464 . 58 TRP HB3 H 3.884 0.020 1 465 . 58 TRP NE1 N 129.400 0.100 1 466 . 58 TRP HD1 H 7.486 0.020 1 467 . 58 TRP HE3 H 7.489 0.020 1 468 . 58 TRP HE1 H 10.455 0.020 1 469 . 58 TRP HZ3 H 7.135 0.020 1 470 . 58 TRP HZ2 H 7.573 0.020 1 471 . 58 TRP HH2 H 7.266 0.020 1 472 . 58 TRP C C 178.500 0.100 1 473 . 59 ALA N N 122.900 0.100 1 474 . 59 ALA H H 7.973 0.020 1 475 . 59 ALA CA C 55.000 0.100 1 476 . 59 ALA HA H 3.632 0.020 1 477 . 59 ALA HB H 0.813 0.020 1 478 . 59 ALA C C 179.700 0.100 1 479 . 60 SER N N 110.000 0.100 1 480 . 60 SER H H 8.466 0.020 1 481 . 60 SER CA C 61.600 0.100 1 482 . 60 SER HA H 4.042 0.020 1 483 . 60 SER HB2 H 3.879 0.020 2 484 . 60 SER HB3 H 3.954 0.020 2 485 . 60 SER C C 176.600 0.100 1 486 . 61 GLN N N 121.800 0.100 1 487 . 61 GLN H H 7.614 0.020 1 488 . 61 GLN CA C 59.000 0.100 1 489 . 61 GLN HA H 4.151 0.020 1 490 . 61 GLN HB2 H 2.360 0.020 1 491 . 61 GLN HB3 H 2.486 0.020 1 492 . 61 GLN HG2 H 2.456 0.020 2 493 . 61 GLN HG3 H 2.654 0.020 2 494 . 61 GLN NE2 N 110.400 0.100 1 495 . 61 GLN HE21 H 7.075 0.020 1 496 . 61 GLN HE22 H 6.956 0.020 1 497 . 61 GLN C C 179.200 0.100 1 498 . 62 TYR N N 116.500 0.100 1 499 . 62 TYR H H 7.768 0.020 1 500 . 62 TYR CA C 58.300 0.100 1 501 . 62 TYR HA H 4.205 0.020 1 502 . 62 TYR HB2 H 2.929 0.020 2 503 . 62 TYR HB3 H 3.752 0.020 2 504 . 62 TYR HD1 H 6.668 0.020 1 505 . 62 TYR HD2 H 6.668 0.020 1 506 . 62 TYR HE1 H 6.502 0.020 1 507 . 62 TYR HE2 H 6.502 0.020 1 508 . 62 TYR HH H 8.580 0.020 1 509 . 62 TYR C C 178.400 0.100 1 510 . 63 LEU N N 116.100 0.100 1 511 . 63 LEU H H 7.419 0.020 1 512 . 63 LEU CA C 56.400 0.100 1 513 . 63 LEU HA H 4.180 0.020 1 514 . 63 LEU HB3 H 1.526 0.020 1 515 . 63 LEU HB2 H 2.063 0.020 1 516 . 63 LEU HG H 2.065 0.020 1 517 . 63 LEU HD1 H 0.995 0.020 1 518 . 63 LEU HD2 H 1.046 0.020 1 519 . 63 LEU C C 180.300 0.100 1 520 . 64 LYS N N 122.900 0.100 1 521 . 64 LYS H H 8.316 0.020 1 522 . 64 LYS CA C 58.400 0.100 1 523 . 64 LYS HA H 3.979 0.020 1 524 . 64 LYS HB2 H 1.948 0.020 1 525 . 64 LYS HB3 H 2.074 0.020 1 526 . 64 LYS HG2 H 1.302 0.020 2 527 . 64 LYS HG3 H 1.522 0.020 2 528 . 64 LYS HD2 H 1.611 0.020 2 529 . 64 LYS HD3 H 1.655 0.020 2 530 . 64 LYS HE2 H 2.890 0.020 1 531 . 64 LYS HE3 H 2.890 0.020 1 532 . 64 LYS C C 179.500 0.100 1 533 . 65 ILE N N 120.700 0.100 1 534 . 65 ILE H H 7.892 0.020 1 535 . 65 ILE CA C 64.600 0.100 1 536 . 65 ILE HA H 3.282 0.020 1 537 . 65 ILE HB H 1.453 0.020 1 538 . 65 ILE HG2 H -0.094 0.020 1 539 . 65 ILE HG12 H 0.903 0.020 1 540 . 65 ILE HG13 H 1.766 0.020 1 541 . 65 ILE HD1 H 0.739 0.020 1 542 . 65 ILE C C 178.400 0.100 1 543 . 66 MET N N 117.100 0.100 1 544 . 66 MET H H 7.795 0.020 1 545 . 66 MET CA C 59.300 0.100 1 546 . 66 MET HA H 3.273 0.020 1 547 . 66 MET HB3 H 1.386 0.020 1 548 . 66 MET HB2 H 2.179 0.020 1 549 . 66 MET HG3 H 0.933 0.020 2 550 . 66 MET HG2 H 2.832 0.020 2 551 . 66 MET HE H 1.937 0.020 1 552 . 66 MET C C 177.800 0.100 1 553 . 67 GLY N N 103.800 0.100 1 554 . 67 GLY H H 7.910 0.020 1 555 . 67 GLY CA C 46.400 0.100 1 556 . 67 GLY HA2 H 3.697 0.020 1 557 . 67 GLY HA3 H 3.845 0.020 1 558 . 67 GLY C C 176.000 0.100 1 559 . 68 LYS N N 123.700 0.100 1 560 . 68 LYS H H 7.818 0.020 1 561 . 68 LYS CA C 57.000 0.100 1 562 . 68 LYS HA H 3.850 0.020 1 563 . 68 LYS HB3 H 0.102 0.020 1 564 . 68 LYS HB2 H 1.187 0.020 1 565 . 68 LYS HG2 H 0.828 0.020 2 566 . 68 LYS HG3 H 1.033 0.020 2 567 . 68 LYS HD2 H 1.111 0.020 2 568 . 68 LYS HD3 H 1.364 0.020 2 569 . 68 LYS HE2 H 2.698 0.020 1 570 . 68 LYS HE3 H 2.698 0.020 1 571 . 68 LYS C C 179.400 0.100 1 572 . 69 ILE N N 121.800 0.100 1 573 . 69 ILE H H 8.318 0.020 1 574 . 69 ILE CA C 63.800 0.100 1 575 . 69 ILE HA H 4.039 0.020 1 576 . 69 ILE HB H 2.195 0.020 1 577 . 69 ILE HG2 H 1.028 0.020 1 578 . 69 ILE HG12 H 1.126 0.020 1 579 . 69 ILE HG13 H 1.126 0.020 1 580 . 69 ILE HD1 H 0.980 0.020 1 581 . 69 ILE C C 176.900 0.100 1 582 . 70 LEU N N 119.800 0.100 1 583 . 70 LEU H H 7.804 0.020 1 584 . 70 LEU CA C 57.400 0.100 1 585 . 70 LEU HA H 4.114 0.020 1 586 . 70 LEU HB2 H 1.534 0.020 1 587 . 70 LEU HB3 H 2.147 0.020 1 588 . 70 LEU HG H 2.003 0.020 1 589 . 70 LEU HD1 H 0.996 0.020 1 590 . 70 LEU HD2 H 1.025 0.020 1 591 . 70 LEU C C 177.400 0.100 1 592 . 71 ASP N N 119.800 0.100 1 593 . 71 ASP H H 7.784 0.020 1 594 . 71 ASP CA C 55.600 0.100 1 595 . 71 ASP HA H 4.664 0.020 1 596 . 71 ASP HB3 H 2.649 0.020 1 597 . 71 ASP HB2 H 2.682 0.020 1 598 . 71 ASP C C 177.300 0.100 1 599 . 72 GLN N N 116.500 0.100 1 600 . 72 GLN H H 8.886 0.020 1 601 . 72 GLN CA C 55.800 0.100 1 602 . 72 GLN HA H 4.525 0.020 1 603 . 72 GLN HB3 H 2.041 0.020 1 604 . 72 GLN HB2 H 2.324 0.020 1 605 . 72 GLN HG2 H 2.317 0.020 2 606 . 72 GLN HG3 H 2.385 0.020 2 607 . 72 GLN NE2 N 111.800 0.100 1 608 . 72 GLN HE21 H 7.593 0.020 1 609 . 72 GLN HE22 H 6.871 0.020 1 610 . 72 GLN C C 176.800 0.100 1 611 . 73 GLY N N 109.100 0.100 1 612 . 73 GLY H H 8.071 0.020 1 613 . 73 GLY CA C 44.200 0.100 1 614 . 73 GLY HA3 H 4.041 0.020 1 615 . 73 GLY HA2 H 4.758 0.020 1 616 . 73 GLY C C 174.800 0.100 1 617 . 74 GLU N N 116.000 0.100 1 618 . 74 GLU H H 8.507 0.020 1 619 . 74 GLU CA C 57.500 0.100 1 620 . 74 GLU HA H 4.043 0.020 1 621 . 74 GLU HB2 H 2.147 0.020 1 622 . 74 GLU HB3 H 2.218 0.020 1 623 . 74 GLU HG2 H 2.466 0.020 1 624 . 74 GLU HG3 H 2.466 0.020 1 625 . 74 GLU C C 176.900 0.100 1 626 . 75 ASP N N 116.400 0.100 1 627 . 75 ASP H H 8.614 0.020 1 628 . 75 ASP CA C 53.900 0.100 1 629 . 75 ASP HA H 4.850 0.020 1 630 . 75 ASP HB3 H 2.752 0.020 1 631 . 75 ASP HB2 H 2.830 0.020 1 632 . 75 ASP C C 179.600 0.100 1 633 . 76 PHE N N 120.800 0.100 1 634 . 76 PHE H H 7.825 0.020 1 635 . 76 PHE CA C 62.700 0.100 1 636 . 76 PHE HA H 4.362 0.020 1 637 . 76 PHE HB3 H 2.924 0.020 1 638 . 76 PHE HB2 H 3.198 0.020 1 639 . 76 PHE HD1 H 6.937 0.020 1 640 . 76 PHE HD2 H 6.937 0.020 1 641 . 76 PHE HE1 H 7.135 0.020 1 642 . 76 PHE HE2 H 7.135 0.020 1 643 . 76 PHE HZ H 7.140 0.020 1 644 . 77 PRO CA C 65.800 0.100 1 645 . 77 PRO HA H 3.760 0.020 1 646 . 77 PRO HB2 H 2.001 0.020 1 647 . 77 PRO HB3 H 2.043 0.020 1 648 . 77 PRO HG3 H 1.669 0.020 2 649 . 77 PRO HG2 H 2.420 0.020 2 650 . 77 PRO HD3 H 3.727 0.020 2 651 . 77 PRO HD2 H 4.081 0.020 2 652 . 77 PRO C C 177.400 0.100 1 653 . 78 ALA N N 118.600 0.100 1 654 . 78 ALA H H 7.564 0.020 1 655 . 78 ALA CA C 54.500 0.100 1 656 . 78 ALA HA H 4.047 0.020 1 657 . 78 ALA HB H 1.496 0.020 1 658 . 78 ALA C C 181.000 0.100 1 659 . 79 SER N N 116.300 0.100 1 660 . 79 SER H H 8.014 0.020 1 661 . 79 SER CA C 60.400 0.100 1 662 . 79 SER HA H 4.172 0.020 1 663 . 79 SER HB2 H 3.897 0.020 1 664 . 79 SER HB3 H 3.897 0.020 1 665 . 79 SER C C 177.200 0.100 1 666 . 80 GLU N N 125.800 0.100 1 667 . 80 GLU H H 8.197 0.020 1 668 . 80 GLU CA C 56.900 0.100 1 669 . 80 GLU HA H 4.289 0.020 1 670 . 80 GLU HB3 H 1.218 0.020 1 671 . 80 GLU HB2 H 1.412 0.020 1 672 . 80 GLU HG2 H 1.680 0.020 2 673 . 80 GLU HG3 H 1.826 0.020 2 674 . 80 GLU C C 178.400 0.100 1 675 . 81 LEU N N 121.600 0.100 1 676 . 81 LEU H H 8.387 0.020 1 677 . 81 LEU CA C 57.700 0.100 1 678 . 81 LEU HA H 3.759 0.020 1 679 . 81 LEU HB2 H 1.594 0.020 1 680 . 81 LEU HB3 H 1.777 0.020 1 681 . 81 LEU HG H 1.633 0.020 1 682 . 81 LEU HD1 H 0.792 0.020 2 683 . 81 LEU HD2 H 0.854 0.020 2 684 . 81 LEU C C 180.000 0.100 1 685 . 82 ALA N N 122.000 0.100 1 686 . 82 ALA H H 7.492 0.020 1 687 . 82 ALA CA C 54.200 0.100 1 688 . 82 ALA HA H 4.047 0.020 1 689 . 82 ALA HB H 1.465 0.020 1 690 . 82 ALA C C 179.600 0.100 1 691 . 83 ARG N N 119.500 0.100 1 692 . 83 ARG H H 7.864 0.020 1 693 . 83 ARG CA C 58.900 0.100 1 694 . 83 ARG HA H 3.934 0.020 1 695 . 83 ARG HB3 H 1.877 0.020 1 696 . 83 ARG HB2 H 1.956 0.020 1 697 . 83 ARG HG2 H 1.298 0.020 2 698 . 83 ARG HG3 H 1.631 0.020 2 699 . 83 ARG HD2 H 3.032 0.020 2 700 . 83 ARG HD3 H 3.393 0.020 2 701 . 83 ARG NE N 82.900 0.100 1 702 . 83 ARG HE H 8.122 0.020 1 703 . 83 ARG C C 179.700 0.100 1 704 . 84 ILE N N 119.000 0.100 1 705 . 84 ILE H H 8.709 0.020 1 706 . 84 ILE CA C 63.100 0.100 1 707 . 84 ILE HA H 3.641 0.020 1 708 . 84 ILE HB H 1.750 0.020 1 709 . 84 ILE HG2 H 0.891 0.020 1 710 . 84 ILE HG12 H 1.002 0.020 2 711 . 84 ILE HG13 H 1.634 0.020 2 712 . 84 ILE HD1 H 0.746 0.020 1 713 . 84 ILE C C 177.900 0.100 1 714 . 85 SER N N 115.500 0.100 1 715 . 85 SER H H 8.224 0.020 1 716 . 85 SER CA C 61.900 0.100 1 717 . 85 SER HA H 4.052 0.020 1 718 . 85 SER HB3 H 3.876 0.020 1 719 . 85 SER HB2 H 3.992 0.020 1 720 . 85 SER C C 176.200 0.100 1 721 . 86 LYS N N 119.500 0.100 1 722 . 86 LYS H H 7.234 0.020 1 723 . 86 LYS CA C 57.500 0.100 1 724 . 86 LYS HA H 4.160 0.020 1 725 . 86 LYS HB2 H 1.875 0.020 1 726 . 86 LYS HB3 H 1.875 0.020 1 727 . 86 LYS HG2 H 1.468 0.020 2 728 . 86 LYS HG3 H 1.551 0.020 2 729 . 86 LYS HD2 H 1.667 0.020 1 730 . 86 LYS HD3 H 1.667 0.020 1 731 . 86 LYS HE2 H 2.962 0.020 1 732 . 86 LYS HE3 H 2.962 0.020 1 733 . 86 LYS C C 178.700 0.100 1 734 . 87 LEU N N 120.000 0.100 1 735 . 87 LEU H H 7.550 0.020 1 736 . 87 LEU CA C 56.500 0.100 1 737 . 87 LEU HA H 4.093 0.020 1 738 . 87 LEU HB3 H 1.540 0.020 1 739 . 87 LEU HB2 H 1.974 0.020 1 740 . 87 LEU HG H 1.802 0.020 1 741 . 87 LEU HD1 H 0.856 0.020 1 742 . 87 LEU HD2 H 0.899 0.020 1 743 . 87 LEU C C 179.300 0.100 1 744 . 88 ILE N N 116.000 0.100 1 745 . 88 ILE H H 7.794 0.020 1 746 . 88 ILE CA C 63.100 0.100 1 747 . 88 ILE HA H 3.837 0.020 1 748 . 88 ILE HB H 1.891 0.020 1 749 . 88 ILE HG2 H 0.954 0.020 1 750 . 88 ILE HG12 H 1.274 0.020 2 751 . 88 ILE HG13 H 1.645 0.020 2 752 . 88 ILE HD1 H 0.803 0.020 1 753 . 88 ILE C C 175.900 0.100 1 754 . 89 GLU N N 118.800 0.100 1 755 . 89 GLU H H 7.318 0.020 1 756 . 89 GLU CA C 55.800 0.100 1 757 . 89 GLU HA H 4.260 0.020 1 758 . 89 GLU HB3 H 1.988 0.020 2 759 . 89 GLU HB2 H 2.173 0.020 2 760 . 89 GLU HG2 H 2.299 0.020 2 761 . 89 GLU HG3 H 2.475 0.020 2 762 . 89 GLU C C 177.000 0.100 1 763 . 90 ASN N N 118.400 0.100 1 764 . 90 ASN H H 7.733 0.020 1 765 . 90 ASN CA C 52.600 0.100 1 766 . 90 ASN HA H 4.644 0.020 1 767 . 90 ASN HB2 H 2.826 0.020 1 768 . 90 ASN HB3 H 2.826 0.020 1 769 . 90 ASN ND2 N 112.800 0.100 1 770 . 90 ASN HD21 H 7.503 0.020 1 771 . 90 ASN HD22 H 6.989 0.020 1 772 . 90 ASN C C 175.200 0.100 1 773 . 91 LYS N N 120.400 0.100 1 774 . 91 LYS H H 8.357 0.020 1 775 . 91 LYS CA C 56.500 0.100 1 776 . 91 LYS HA H 4.258 0.020 1 777 . 91 LYS HB2 H 1.696 0.020 1 778 . 91 LYS HB3 H 1.820 0.020 1 779 . 91 LYS HG2 H 1.412 0.020 2 780 . 91 LYS HG3 H 1.493 0.020 2 781 . 91 LYS HD2 H 1.661 0.020 1 782 . 91 LYS HD3 H 1.661 0.020 1 783 . 91 LYS HE2 H 3.007 0.020 1 784 . 91 LYS HE3 H 3.007 0.020 1 785 . 91 LYS C C 176.700 0.100 1 786 . 92 MET N N 120.200 0.100 1 787 . 92 MET H H 8.136 0.020 1 788 . 92 MET CA C 54.600 0.100 1 789 . 92 MET HA H 4.614 0.020 1 790 . 92 MET HB2 H 1.983 0.020 1 791 . 92 MET HB3 H 2.271 0.020 1 792 . 92 MET HG2 H 2.504 0.020 2 793 . 92 MET HG3 H 2.590 0.020 2 794 . 92 MET HE H 2.031 0.020 1 795 . 92 MET C C 175.400 0.100 1 796 . 93 SER N N 116.100 0.100 1 797 . 93 SER H H 8.425 0.020 1 798 . 93 SER CA C 57.400 0.100 1 799 . 93 SER HA H 4.416 0.020 1 800 . 93 SER HB3 H 3.988 0.020 1 801 . 93 SER HB2 H 4.157 0.020 1 802 . 93 SER C C 175.000 0.100 1 803 . 94 GLU N N 121.100 0.100 1 804 . 94 GLU H H 8.834 0.020 1 805 . 94 GLU CA C 58.400 0.100 1 806 . 94 GLU HA H 4.055 0.020 1 807 . 94 GLU HB2 H 2.098 0.020 1 808 . 94 GLU HB3 H 2.098 0.020 1 809 . 94 GLU HG2 H 2.407 0.020 1 810 . 94 GLU HG3 H 2.407 0.020 1 811 . 94 GLU C C 178.700 0.100 1 812 . 95 GLY N N 107.500 0.100 1 813 . 95 GLY H H 8.719 0.020 1 814 . 95 GLY CA C 46.900 0.100 1 815 . 95 GLY HA3 H 3.924 0.020 1 816 . 95 GLY HA2 H 3.966 0.020 1 817 . 95 GLY C C 176.200 0.100 1 818 . 96 LYS N N 122.200 0.100 1 819 . 96 LYS H H 7.649 0.020 1 820 . 96 LYS CA C 56.900 0.100 1 821 . 96 LYS HA H 4.326 0.020 1 822 . 96 LYS HB2 H 1.828 0.020 1 823 . 96 LYS HB3 H 1.937 0.020 1 824 . 96 LYS HG2 H 1.480 0.020 2 825 . 96 LYS HG3 H 1.520 0.020 2 826 . 96 LYS HD2 H 1.728 0.020 1 827 . 96 LYS HD3 H 1.728 0.020 1 828 . 96 LYS HE2 H 2.981 0.020 1 829 . 96 LYS HE3 H 2.981 0.020 1 830 . 96 LYS C C 178.300 0.100 1 831 . 97 LYS N N 121.500 0.100 1 832 . 97 LYS H H 8.122 0.020 1 833 . 97 LYS CA C 59.700 0.100 1 834 . 97 LYS HA H 3.947 0.020 1 835 . 97 LYS HB3 H 1.872 0.020 1 836 . 97 LYS HB2 H 1.934 0.020 1 837 . 97 LYS HG2 H 1.457 0.020 2 838 . 97 LYS HG3 H 1.492 0.020 2 839 . 97 LYS HD2 H 1.746 0.020 1 840 . 97 LYS HD3 H 1.746 0.020 1 841 . 97 LYS HE2 H 3.016 0.020 1 842 . 97 LYS HE3 H 3.016 0.020 1 843 . 97 LYS C C 178.500 0.100 1 844 . 98 GLU N N 118.400 0.100 1 845 . 98 GLU H H 8.376 0.020 1 846 . 98 GLU CA C 58.600 0.100 1 847 . 98 GLU HA H 4.073 0.020 1 848 . 98 GLU HB3 H 2.085 0.020 2 849 . 98 GLU HB2 H 2.171 0.020 2 850 . 98 GLU HG2 H 2.325 0.020 2 851 . 98 GLU HG3 H 2.409 0.020 2 852 . 98 GLU C C 179.800 0.100 1 853 . 99 GLU N N 119.800 0.100 1 854 . 99 GLU H H 7.695 0.020 1 855 . 99 GLU CA C 59.000 0.100 1 856 . 99 GLU HA H 4.153 0.020 1 857 . 99 GLU HB2 H 2.299 0.020 1 858 . 99 GLU HB3 H 2.366 0.020 1 859 . 99 GLU HG2 H 2.564 0.020 2 860 . 99 GLU HG3 H 2.662 0.020 2 861 . 99 GLU C C 179.600 0.100 1 862 . 100 LEU N N 121.000 0.100 1 863 . 100 LEU H H 8.029 0.020 1 864 . 100 LEU CA C 57.100 0.100 1 865 . 100 LEU HA H 4.129 0.020 1 866 . 100 LEU HB2 H 1.299 0.020 1 867 . 100 LEU HB3 H 1.829 0.020 1 868 . 100 LEU HG H 1.885 0.020 1 869 . 100 LEU HD1 H 0.855 0.020 1 870 . 100 LEU HD2 H 0.901 0.020 1 871 . 100 LEU C C 179.000 0.100 1 872 . 101 GLN N N 119.700 0.100 1 873 . 101 GLN H H 8.668 0.020 1 874 . 101 GLN CA C 57.900 0.100 1 875 . 101 GLN HA H 3.815 0.020 1 876 . 101 GLN HB3 H 2.064 0.020 1 877 . 101 GLN HB2 H 2.216 0.020 1 878 . 101 GLN HG2 H 2.341 0.020 1 879 . 101 GLN HG3 H 2.341 0.020 1 880 . 101 GLN NE2 N 110.500 0.100 1 881 . 101 GLN HE21 H 7.240 0.020 1 882 . 101 GLN HE22 H 6.786 0.020 1 883 . 101 GLN C C 178.800 0.100 1 884 . 102 ARG N N 119.000 0.100 1 885 . 102 ARG H H 7.941 0.020 1 886 . 102 ARG CA C 59.200 0.100 1 887 . 102 ARG HA H 3.895 0.020 1 888 . 102 ARG HB3 H 1.142 0.020 1 889 . 102 ARG HB2 H 1.722 0.020 1 890 . 102 ARG HG2 H 0.962 0.020 2 891 . 102 ARG HG3 H 1.574 0.020 2 892 . 102 ARG HD2 H 2.005 0.020 2 893 . 102 ARG HD3 H 2.416 0.020 2 894 . 102 ARG NE N 86.200 0.100 1 895 . 102 ARG HE H 7.190 0.020 1 896 . 102 ARG NH2 N 71.600 0.100 1 897 . 102 ARG HH21 H 6.394 0.020 1 898 . 102 ARG HH22 H 6.394 0.020 1 899 . 102 ARG C C 178.500 0.100 1 900 . 103 SER N N 115.100 0.100 1 901 . 103 SER H H 7.828 0.020 1 902 . 103 SER CA C 59.900 0.100 1 903 . 103 SER HA H 4.247 0.020 1 904 . 103 SER HB2 H 3.954 0.020 1 905 . 103 SER HB3 H 3.954 0.020 1 906 . 103 SER C C 176.300 0.100 1 907 . 104 LEU N N 123.100 0.100 1 908 . 104 LEU H H 8.162 0.020 1 909 . 104 LEU CA C 57.600 0.100 1 910 . 104 LEU HA H 3.926 0.020 1 911 . 104 LEU HB3 H 1.560 0.020 1 912 . 104 LEU HB2 H 1.936 0.020 1 913 . 104 LEU HG H 1.715 0.020 1 914 . 104 LEU HD1 H 0.810 0.020 1 915 . 104 LEU HD2 H 0.810 0.020 1 916 . 104 LEU C C 179.000 0.100 1 917 . 105 ASN N N 120.300 0.100 1 918 . 105 ASN H H 8.194 0.020 1 919 . 105 ASN CA C 55.200 0.100 1 920 . 105 ASN HA H 4.242 0.020 1 921 . 105 ASN HB3 H 2.710 0.020 1 922 . 105 ASN HB2 H 3.100 0.020 1 923 . 105 ASN ND2 N 111.100 0.100 1 924 . 105 ASN HD21 H 8.069 0.020 1 925 . 105 ASN HD22 H 7.131 0.020 1 926 . 105 ASN C C 178.400 0.100 1 927 . 106 ILE N N 123.600 0.100 1 928 . 106 ILE H H 7.959 0.020 1 929 . 106 ILE CA C 65.300 0.100 1 930 . 106 ILE HA H 3.407 0.020 1 931 . 106 ILE HB H 1.651 0.020 1 932 . 106 ILE HG2 H -0.018 0.020 1 933 . 106 ILE HG12 H 0.791 0.020 2 934 . 106 ILE HG13 H 1.642 0.020 2 935 . 106 ILE HD1 H 0.962 0.020 1 936 . 106 ILE C C 177.700 0.100 1 937 . 107 LEU N N 118.500 0.100 1 938 . 107 LEU H H 7.933 0.020 1 939 . 107 LEU CA C 58.000 0.100 1 940 . 107 LEU HA H 4.050 0.020 1 941 . 107 LEU HB3 H 1.350 0.020 1 942 . 107 LEU HB2 H 2.075 0.020 1 943 . 107 LEU HG H 1.689 0.020 1 944 . 107 LEU HD1 H 0.755 0.020 1 945 . 107 LEU HD2 H 0.824 0.020 1 946 . 107 LEU C C 180.500 0.100 1 947 . 108 THR N N 112.500 0.100 1 948 . 108 THR H H 7.983 0.020 1 949 . 108 THR CA C 65.300 0.100 1 950 . 108 THR HA H 3.882 0.020 1 951 . 108 THR HB H 4.376 0.020 1 952 . 108 THR HG2 H 1.321 0.020 1 953 . 108 THR C C 175.700 0.100 1 954 . 109 ALA N N 124.200 0.100 1 955 . 109 ALA H H 7.814 0.020 1 956 . 109 ALA CA C 53.300 0.100 1 957 . 109 ALA HA H 4.154 0.020 1 958 . 109 ALA HB H 1.608 0.020 1 959 . 109 ALA C C 178.100 0.100 1 960 . 110 PHE N N 114.300 0.100 1 961 . 110 PHE H H 7.804 0.020 1 962 . 110 PHE CA C 57.100 0.100 1 963 . 110 PHE HA H 4.334 0.020 1 964 . 110 PHE HB2 H 3.106 0.020 1 965 . 110 PHE HB3 H 3.372 0.020 1 966 . 110 PHE HD1 H 7.494 0.020 1 967 . 110 PHE HD2 H 7.494 0.020 1 968 . 110 PHE HE1 H 7.026 0.020 1 969 . 110 PHE HE2 H 7.026 0.020 1 970 . 110 PHE HZ H 7.533 0.020 1 971 . 110 PHE C C 174.000 0.100 1 972 . 111 ARG N N 119.800 0.100 1 973 . 111 ARG H H 7.317 0.020 1 974 . 111 ARG CA C 55.000 0.100 1 975 . 111 ARG HA H 4.437 0.020 1 976 . 111 ARG HB2 H 1.811 0.020 2 977 . 111 ARG HB3 H 1.907 0.020 2 978 . 111 ARG HG2 H 1.684 0.020 1 979 . 111 ARG HG3 H 1.684 0.020 1 980 . 111 ARG HD2 H 3.144 0.020 1 981 . 111 ARG HD3 H 3.144 0.020 1 982 . 111 ARG NE N 84.900 0.100 1 983 . 111 ARG HE H 7.201 0.020 1 984 . 111 ARG C C 175.600 0.100 1 985 . 112 LYS N N 124.300 0.100 1 986 . 112 LYS H H 8.548 0.020 1 987 . 112 LYS CA C 56.000 0.100 1 988 . 112 LYS HA H 4.244 0.020 1 989 . 112 LYS HB2 H 1.751 0.020 2 990 . 112 LYS HB3 H 1.878 0.020 2 991 . 112 LYS HG2 H 1.439 0.020 2 992 . 112 LYS HG3 H 1.546 0.020 2 993 . 112 LYS HD2 H 1.684 0.020 1 994 . 112 LYS HD3 H 1.684 0.020 1 995 . 112 LYS HE2 H 3.027 0.020 1 996 . 112 LYS HE3 H 3.027 0.020 1 997 . 112 LYS C C 176.800 0.100 1 998 . 113 LYS N N 124.200 0.100 1 999 . 113 LYS H H 8.703 0.020 1 1000 . 113 LYS CA C 56.100 0.100 1 1001 . 113 LYS HA H 4.247 0.020 1 1002 . 113 LYS HB3 H 1.676 0.020 2 1003 . 113 LYS HB2 H 1.803 0.020 2 1004 . 113 LYS HG2 H 1.436 0.020 2 1005 . 113 LYS HG3 H 1.485 0.020 2 1006 . 113 LYS HD2 H 1.702 0.020 1 1007 . 113 LYS HD3 H 1.702 0.020 1 1008 . 113 LYS HE2 H 3.000 0.020 1 1009 . 113 LYS HE3 H 3.000 0.020 1 1010 . 113 LYS C C 177.300 0.100 1 1011 . 114 GLY N N 110.700 0.100 1 1012 . 114 GLY H H 8.546 0.020 1 1013 . 114 GLY CA C 44.400 0.100 1 1014 . 114 GLY HA2 H 3.934 0.020 2 1015 . 114 GLY HA3 H 3.971 0.020 2 1016 . 114 GLY C C 174.000 0.100 1 1017 . 115 ALA N N 124.000 0.100 1 1018 . 115 ALA H H 8.165 0.020 1 1019 . 115 ALA CA C 51.800 0.100 1 1020 . 115 ALA HA H 4.309 0.020 1 1021 . 115 ALA HB H 1.381 0.020 1 1022 . 115 ALA C C 177.900 0.100 1 1023 . 116 GLU N N 119.500 0.100 1 1024 . 116 GLU H H 8.406 0.020 1 1025 . 116 GLU CA C 55.800 0.100 1 1026 . 116 GLU HA H 4.251 0.020 1 1027 . 116 GLU HB2 H 1.946 0.020 2 1028 . 116 GLU HB3 H 2.028 0.020 2 1029 . 116 GLU HG2 H 2.248 0.020 2 1030 . 116 GLU HG3 H 2.288 0.020 2 1031 . 116 GLU C C 176.500 0.100 1 1032 . 117 LYS N N 122.000 0.100 1 1033 . 117 LYS H H 8.254 0.020 1 1034 . 117 LYS CA C 55.900 0.100 1 1035 . 117 LYS HA H 4.266 0.020 1 1036 . 117 LYS HB2 H 1.755 0.020 2 1037 . 117 LYS HB3 H 1.828 0.020 2 1038 . 117 LYS HG2 H 1.398 0.020 2 1039 . 117 LYS HG3 H 1.425 0.020 2 1040 . 117 LYS HD2 H 1.674 0.020 1 1041 . 117 LYS HD3 H 1.674 0.020 1 1042 . 117 LYS HE2 H 2.995 0.020 1 1043 . 117 LYS HE3 H 2.995 0.020 1 1044 . 117 LYS C C 176.200 0.100 1 1045 . 118 GLU N N 122.000 0.100 1 1046 . 118 GLU H H 8.331 0.020 1 1047 . 118 GLU CA C 55.800 0.100 1 1048 . 118 GLU HA H 4.276 0.020 1 1049 . 118 GLU HB2 H 1.921 0.020 2 1050 . 118 GLU HB3 H 1.998 0.020 2 1051 . 118 GLU HG2 H 2.202 0.020 2 1052 . 118 GLU HG3 H 2.243 0.020 2 1053 . 118 GLU C C 176.000 0.100 1 1054 . 119 GLU N N 122.400 0.100 1 1055 . 119 GLU H H 8.290 0.020 1 1056 . 119 GLU CA C 56.000 0.100 1 1057 . 119 GLU HA H 4.321 0.020 1 1058 . 119 GLU HB3 H 1.886 0.020 2 1059 . 119 GLU HB2 H 2.022 0.020 2 1060 . 119 GLU HG2 H 2.207 0.020 2 1061 . 119 GLU HG3 H 2.248 0.020 2 1062 . 119 GLU C C 175.200 0.100 1 1063 . 120 LEU N N 129.000 0.100 1 1064 . 120 LEU H H 7.876 0.020 1 1065 . 120 LEU CA C 56.000 0.100 1 1066 . 120 LEU HA H 4.162 0.020 1 1067 . 120 LEU HB2 H 1.540 0.020 2 1068 . 120 LEU HB3 H 1.578 0.020 2 1069 . 120 LEU HG H 1.554 0.020 1 1070 . 120 LEU HD1 H 0.806 0.020 2 1071 . 120 LEU HD2 H 0.857 0.020 2 stop_ save_