data_15805 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium ; _BMRB_accession_number 15805 _BMRB_flat_file_name bmr15805.str _Entry_type original _Submission_date 2008-06-13 _Accession_date 2008-06-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Ho Chi K. . 3 Shetty Karishma . . 4 Cunningham Kellie . . 5 Ma Li-Chung . . 6 Xiao Rong . . 7 Liu Jinfeng . . 8 Baran Michael C. . 9 Swapna G.V.T . . 10 Acton Thomas B. . 11 Rost Burkhard . . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 531 "13C chemical shifts" 447 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-12 original author . stop_ _Original_release_date 2009-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PA0246 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PA0246 $PA0426 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function unknown stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PA0426 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PA0426 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function unknown stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MNSEVIKEFLEDIGEDYIEL ENEIHLKPEVFYEVWKYVGE PELKTYVIEDEIVEPGEYDP PEMKYTNVKKVKIKKVYFET LDNVRVVTDYSEFQKILKKR GTKLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 SER 4 GLU 5 VAL 6 ILE 7 LYS 8 GLU 9 PHE 10 LEU 11 GLU 12 ASP 13 ILE 14 GLY 15 GLU 16 ASP 17 TYR 18 ILE 19 GLU 20 LEU 21 GLU 22 ASN 23 GLU 24 ILE 25 HIS 26 LEU 27 LYS 28 PRO 29 GLU 30 VAL 31 PHE 32 TYR 33 GLU 34 VAL 35 TRP 36 LYS 37 TYR 38 VAL 39 GLY 40 GLU 41 PRO 42 GLU 43 LEU 44 LYS 45 THR 46 TYR 47 VAL 48 ILE 49 GLU 50 ASP 51 GLU 52 ILE 53 VAL 54 GLU 55 PRO 56 GLY 57 GLU 58 TYR 59 ASP 60 PRO 61 PRO 62 GLU 63 MET 64 LYS 65 TYR 66 THR 67 ASN 68 VAL 69 LYS 70 LYS 71 VAL 72 LYS 73 ILE 74 LYS 75 LYS 76 VAL 77 TYR 78 PHE 79 GLU 80 THR 81 LEU 82 ASP 83 ASN 84 VAL 85 ARG 86 VAL 87 VAL 88 THR 89 ASP 90 TYR 91 SER 92 GLU 93 PHE 94 GLN 95 LYS 96 ILE 97 LEU 98 LYS 99 LYS 100 ARG 101 GLY 102 THR 103 LYS 104 LEU 105 GLU 106 HIS 107 HIS 108 HIS 109 HIS 110 HIS 111 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2K4N "Nmr Structure Of Protein Pf0246 From Pyrococcus Furiosus: Target Pfr75 From The Northeast Structural Genomics Consortium" 100.00 111 100.00 100.00 1.39e-70 GB AAL80370 "hypothetical protein PF0246 [Pyrococcus furiosus DSM 3638]" 92.79 103 100.00 100.00 9.20e-64 GB AFN03032 "hypothetical protein PFC_00280 [Pyrococcus furiosus COM1]" 92.79 103 100.00 100.00 9.20e-64 REF WP_011011361 "hypothetical protein [Pyrococcus furiosus]" 92.79 103 100.00 100.00 9.20e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PA0426 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus PA0246 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 $PA0426 'recombinant technology' . Escherichia coli BL21(DE3)+Magic pET21 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 $PA0426 1 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PA0426 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 98 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_4D_13C-13C_HMQC_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-13C HMQC NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 0.1 pH pressure 1 . atm temperature 313 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PA0246 _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 1 MET HA H 3.72 0.02 1 2 1 1 MET HB2 H 1.82 0.02 2 3 1 1 MET HB3 H 2.18 0.02 2 4 1 1 MET HE H 1.94 0.02 1 5 1 1 MET HG2 H 2.52 0.02 2 6 1 1 MET HG3 H 2.56 0.02 2 7 1 1 MET CA C 55.7 0.2 1 8 1 1 MET CB C 34.9 0.2 1 9 1 1 MET CE C 16.8 0.2 1 10 1 1 MET CG C 32.5 0.2 1 11 2 2 ASN HA H 4.98 0.02 1 12 2 2 ASN HB2 H 2.89 0.02 2 13 2 2 ASN HB3 H 2.91 0.02 2 14 2 2 ASN HD21 H 6.86 0.02 2 15 2 2 ASN HD22 H 7.56 0.02 2 16 2 2 ASN C C 176.3 0.2 1 17 2 2 ASN CA C 52.5 0.2 1 18 2 2 ASN CB C 40.9 0.2 1 19 2 2 ASN ND2 N 112.3 0.2 1 20 3 3 SER H H 9.94 0.02 1 21 3 3 SER HA H 3.72 0.02 1 22 3 3 SER HB2 H 3.63 0.02 2 23 3 3 SER HB3 H 3.98 0.02 2 24 3 3 SER C C 175.9 0.2 1 25 3 3 SER CA C 63.3 0.2 1 26 3 3 SER CB C 61.7 0.2 1 27 3 3 SER N N 118.2 0.2 1 28 4 4 GLU H H 8.45 0.02 1 29 4 4 GLU HA H 4.01 0.02 1 30 4 4 GLU HB2 H 2.04 0.02 2 31 4 4 GLU HB3 H 2.08 0.02 2 32 4 4 GLU HG2 H 2.25 0.02 2 33 4 4 GLU HG3 H 2.30 0.02 2 34 4 4 GLU C C 178.8 0.2 1 35 4 4 GLU CA C 60.3 0.2 1 36 4 4 GLU CB C 29.1 0.2 1 37 4 4 GLU CG C 36.0 0.2 1 38 4 4 GLU N N 123.6 0.2 1 39 5 5 VAL H H 7.59 0.02 1 40 5 5 VAL HA H 3.85 0.02 1 41 5 5 VAL HB H 2.26 0.02 1 42 5 5 VAL HG1 H 1.06 0.02 1 43 5 5 VAL HG2 H 1.14 0.02 1 44 5 5 VAL C C 179.1 0.2 1 45 5 5 VAL CA C 65.8 0.2 1 46 5 5 VAL CB C 32.3 0.2 1 47 5 5 VAL CG1 C 21.5 0.2 1 48 5 5 VAL CG2 C 22.8 0.2 1 49 5 5 VAL N N 119.3 0.2 1 50 6 6 ILE H H 7.24 0.02 1 51 6 6 ILE HA H 3.58 0.02 1 52 6 6 ILE HB H 1.94 0.02 1 53 6 6 ILE HD1 H 0.82 0.02 1 54 6 6 ILE HG12 H 1.11 0.02 2 55 6 6 ILE HG13 H 1.55 0.02 2 56 6 6 ILE HG2 H 0.74 0.02 1 57 6 6 ILE C C 177.0 0.2 1 58 6 6 ILE CA C 65.3 0.2 1 59 6 6 ILE CB C 37.9 0.2 1 60 6 6 ILE CD1 C 14.4 0.2 1 61 6 6 ILE CG1 C 29.7 0.2 1 62 6 6 ILE CG2 C 17.1 0.2 1 63 6 6 ILE N N 120.3 0.2 1 64 7 7 LYS H H 8.05 0.02 1 65 7 7 LYS HA H 3.57 0.02 1 66 7 7 LYS HB2 H 1.74 0.02 2 67 7 7 LYS HB3 H 1.83 0.02 2 68 7 7 LYS HD2 H 1.57 0.02 2 69 7 7 LYS HD3 H 1.64 0.02 2 70 7 7 LYS HE2 H 2.68 0.02 2 71 7 7 LYS HE3 H 2.73 0.02 2 72 7 7 LYS HG2 H 0.81 0.02 2 73 7 7 LYS HG3 H 1.33 0.02 2 74 7 7 LYS C C 178.7 0.2 1 75 7 7 LYS CA C 61.3 0.2 1 76 7 7 LYS CB C 32.2 0.2 1 77 7 7 LYS CD C 29.8 0.2 1 78 7 7 LYS CE C 42.1 0.2 1 79 7 7 LYS CG C 26.8 0.2 1 80 7 7 LYS N N 119.2 0.2 1 81 8 8 GLU H H 8.10 0.02 1 82 8 8 GLU HA H 4.00 0.02 1 83 8 8 GLU HB2 H 2.09 0.02 2 84 8 8 GLU HB3 H 2.13 0.02 2 85 8 8 GLU HG2 H 2.28 0.02 2 86 8 8 GLU HG3 H 2.48 0.02 2 87 8 8 GLU C C 178.5 0.2 1 88 8 8 GLU CA C 59.7 0.2 1 89 8 8 GLU CB C 29.6 0.2 1 90 8 8 GLU CG C 36.3 0.2 1 91 8 8 GLU N N 119.4 0.2 1 92 9 9 PHE H H 7.72 0.02 1 93 9 9 PHE HA H 4.16 0.02 1 94 9 9 PHE HB2 H 2.95 0.02 2 95 9 9 PHE HB3 H 3.04 0.02 2 96 9 9 PHE HD1 H 6.50 0.02 3 97 9 9 PHE HE1 H 6.70 0.02 3 98 9 9 PHE HZ H 7.00 0.02 1 99 9 9 PHE C C 176.9 0.2 1 100 9 9 PHE CA C 61.3 0.2 1 101 9 9 PHE CB C 39.4 0.2 1 102 9 9 PHE CD1 C 131.2 0.2 3 103 9 9 PHE CE1 C 130.4 0.2 3 104 9 9 PHE CZ C 129.5 0.2 1 105 9 9 PHE N N 121.3 0.2 1 106 10 10 LEU H H 8.06 0.02 1 107 10 10 LEU HA H 3.66 0.02 1 108 10 10 LEU HB2 H 1.44 0.02 2 109 10 10 LEU HB3 H 1.83 0.02 2 110 10 10 LEU HD1 H 0.45 0.02 1 111 10 10 LEU HD2 H 0.70 0.02 1 112 10 10 LEU HG H 1.82 0.02 1 113 10 10 LEU C C 179.0 0.2 1 114 10 10 LEU CA C 58.0 0.2 1 115 10 10 LEU CB C 41.4 0.2 1 116 10 10 LEU CD1 C 27.1 0.2 1 117 10 10 LEU CD2 C 24.2 0.2 1 118 10 10 LEU CG C 27.3 0.2 1 119 10 10 LEU N N 118.0 0.2 1 120 11 11 GLU H H 7.99 0.02 1 121 11 11 GLU HA H 4.11 0.02 1 122 11 11 GLU HB2 H 2.10 0.02 2 123 11 11 GLU HB3 H 2.13 0.02 2 124 11 11 GLU HG2 H 2.38 0.02 2 125 11 11 GLU HG3 H 2.49 0.02 2 126 11 11 GLU C C 174.2 0.2 1 127 11 11 GLU CA C 59.2 0.2 1 128 11 11 GLU CB C 29.3 0.2 1 129 11 11 GLU CG C 36.4 0.2 1 130 11 11 GLU N N 118.3 0.2 1 131 12 12 ASP H H 8.08 0.02 1 132 12 12 ASP HA H 4.34 0.02 1 133 12 12 ASP HB2 H 2.54 0.02 2 134 12 12 ASP HB3 H 2.82 0.02 2 135 12 12 ASP C C 178.9 0.2 1 136 12 12 ASP CA C 57.6 0.2 1 137 12 12 ASP CB C 41.0 0.2 1 138 12 12 ASP N N 121.8 0.2 1 139 13 13 ILE H H 7.61 0.02 1 140 13 13 ILE HA H 4.24 0.02 1 141 13 13 ILE HB H 1.92 0.02 1 142 13 13 ILE HD1 H 0.55 0.02 1 143 13 13 ILE HG12 H 0.96 0.02 2 144 13 13 ILE HG13 H 1.06 0.02 2 145 13 13 ILE HG2 H 0.33 0.02 1 146 13 13 ILE C C 176.8 0.2 1 147 13 13 ILE CA C 62.1 0.2 1 148 13 13 ILE CB C 38.3 0.2 1 149 13 13 ILE CD1 C 14.4 0.2 1 150 13 13 ILE CG1 C 26.0 0.2 1 151 13 13 ILE CG2 C 17.3 0.2 1 152 13 13 ILE N N 110.8 0.2 1 153 14 14 GLY H H 7.64 0.02 1 154 14 14 GLY HA2 H 3.81 0.02 2 155 14 14 GLY HA3 H 3.88 0.02 2 156 14 14 GLY C C 175.2 0.2 1 157 14 14 GLY CA C 46.9 0.2 1 158 14 14 GLY N N 111.8 0.2 1 159 15 15 GLU H H 7.87 0.02 1 160 15 15 GLU HA H 4.68 0.02 1 161 15 15 GLU HB2 H 1.46 0.02 2 162 15 15 GLU HB3 H 2.15 0.02 2 163 15 15 GLU HG2 H 2.11 0.02 2 164 15 15 GLU HG3 H 2.24 0.02 2 165 15 15 GLU C C 175.1 0.2 1 166 15 15 GLU CA C 54.8 0.2 1 167 15 15 GLU CB C 32.2 0.2 1 168 15 15 GLU CG C 34.9 0.2 1 169 15 15 GLU N N 119.2 0.2 1 170 16 16 ASP H H 8.22 0.02 1 171 16 16 ASP HA H 4.68 0.02 1 172 16 16 ASP HB2 H 2.57 0.02 2 173 16 16 ASP HB3 H 2.63 0.02 2 174 16 16 ASP C C 174.6 0.2 1 175 16 16 ASP CA C 53.6 0.2 1 176 16 16 ASP CB C 42.9 0.2 1 177 16 16 ASP N N 120.6 0.2 1 178 17 17 TYR H H 7.54 0.02 1 179 17 17 TYR HA H 4.91 0.02 1 180 17 17 TYR HB2 H 2.66 0.02 2 181 17 17 TYR HB3 H 3.02 0.02 2 182 17 17 TYR HD1 H 6.77 0.02 3 183 17 17 TYR HE1 H 6.79 0.02 3 184 17 17 TYR C C 173.6 0.2 1 185 17 17 TYR CA C 56.2 0.2 1 186 17 17 TYR CB C 41.1 0.2 1 187 17 17 TYR CD1 C 134.2 0.2 3 188 17 17 TYR CE1 C 117.7 0.2 3 189 17 17 TYR N N 112.7 0.2 1 190 18 18 ILE H H 7.95 0.02 1 191 18 18 ILE HA H 4.33 0.02 1 192 18 18 ILE HB H 1.79 0.02 1 193 18 18 ILE HD1 H 0.78 0.02 1 194 18 18 ILE HG12 H 1.08 0.02 2 195 18 18 ILE HG13 H 1.50 0.02 2 196 18 18 ILE HG2 H 0.79 0.02 1 197 18 18 ILE C C 174.7 0.2 1 198 18 18 ILE CA C 60.3 0.2 1 199 18 18 ILE CB C 41.0 0.2 1 200 18 18 ILE CD1 C 13.3 0.2 1 201 18 18 ILE CG1 C 27.7 0.2 1 202 18 18 ILE CG2 C 17.2 0.2 1 203 18 18 ILE N N 120.4 0.2 1 204 19 19 GLU H H 8.76 0.02 1 205 19 19 GLU HA H 5.20 0.02 1 206 19 19 GLU HB2 H 1.89 0.02 2 207 19 19 GLU HB3 H 2.16 0.02 2 208 19 19 GLU HG2 H 2.19 0.02 2 209 19 19 GLU HG3 H 2.25 0.02 2 210 19 19 GLU C C 175.2 0.2 1 211 19 19 GLU CA C 55.5 0.2 1 212 19 19 GLU CB C 32.4 0.2 1 213 19 19 GLU CG C 36.8 0.2 1 214 19 19 GLU N N 129.0 0.2 1 215 20 20 LEU H H 8.73 0.02 1 216 20 20 LEU HA H 4.62 0.02 1 217 20 20 LEU HB2 H 1.42 0.02 2 218 20 20 LEU HB3 H 1.61 0.02 2 219 20 20 LEU HD1 H 0.64 0.02 1 220 20 20 LEU HD2 H 0.75 0.02 1 221 20 20 LEU HG H 1.36 0.02 1 222 20 20 LEU C C 176.2 0.2 1 223 20 20 LEU CA C 54.1 0.2 1 224 20 20 LEU CB C 44.4 0.2 1 225 20 20 LEU CD1 C 25.0 0.2 1 226 20 20 LEU CD2 C 24.1 0.2 1 227 20 20 LEU CG C 27.7 0.2 1 228 20 20 LEU N N 128.4 0.2 1 229 21 21 GLU H H 8.70 0.02 1 230 21 21 GLU HA H 3.87 0.02 1 231 21 21 GLU HB2 H 1.98 0.02 2 232 21 21 GLU HB3 H 2.01 0.02 2 233 21 21 GLU HG2 H 2.18 0.02 2 234 21 21 GLU HG3 H 2.22 0.02 2 235 21 21 GLU C C 176.1 0.2 1 236 21 21 GLU CA C 58.8 0.2 1 237 21 21 GLU CB C 28.2 0.2 1 238 21 21 GLU CG C 36.2 0.2 1 239 21 21 GLU N N 122.6 0.2 1 240 22 22 ASN H H 8.64 0.02 1 241 22 22 ASN HA H 4.54 0.02 1 242 22 22 ASN HB2 H 2.99 0.02 2 243 22 22 ASN HB3 H 3.06 0.02 2 244 22 22 ASN HD21 H 6.77 0.02 2 245 22 22 ASN HD22 H 7.42 0.02 2 246 22 22 ASN C C 173.8 0.2 1 247 22 22 ASN CA C 54.6 0.2 1 248 22 22 ASN CB C 38.4 0.2 1 249 22 22 ASN N N 118.0 0.2 1 250 22 22 ASN ND2 N 112.8 0.2 1 251 23 23 GLU H H 7.74 0.02 1 252 23 23 GLU HA H 5.43 0.02 1 253 23 23 GLU HB2 H 1.73 0.02 2 254 23 23 GLU HB3 H 1.99 0.02 2 255 23 23 GLU HG2 H 1.97 0.02 2 256 23 23 GLU HG3 H 2.37 0.02 2 257 23 23 GLU C C 175.4 0.2 1 258 23 23 GLU CA C 54.9 0.2 1 259 23 23 GLU CB C 34.5 0.2 1 260 23 23 GLU CG C 36.4 0.2 1 261 23 23 GLU N N 116.4 0.2 1 262 24 24 ILE H H 9.05 0.02 1 263 24 24 ILE HA H 4.81 0.02 1 264 24 24 ILE HB H 1.51 0.02 1 265 24 24 ILE HD1 H 0.52 0.02 1 266 24 24 ILE HG12 H 0.79 0.02 2 267 24 24 ILE HG13 H 1.52 0.02 2 268 24 24 ILE HG2 H 0.66 0.02 1 269 24 24 ILE C C 174.6 0.2 1 270 24 24 ILE CA C 60.7 0.2 1 271 24 24 ILE CB C 41.3 0.2 1 272 24 24 ILE CD1 C 13.3 0.2 1 273 24 24 ILE CG1 C 27.6 0.2 1 274 24 24 ILE CG2 C 17.5 0.2 1 275 24 24 ILE N N 122.8 0.2 1 276 25 25 HIS H H 9.49 0.02 1 277 25 25 HIS HA H 5.09 0.02 1 278 25 25 HIS HB2 H 2.88 0.02 2 279 25 25 HIS HB3 H 3.01 0.02 2 280 25 25 HIS HD2 H 6.61 0.02 1 281 25 25 HIS HE1 H 7.51 0.02 1 282 25 25 HIS C C 176.1 0.2 1 283 25 25 HIS CA C 56.1 0.2 1 284 25 25 HIS CB C 33.1 0.2 1 285 25 25 HIS CD2 C 115.8 0.2 1 286 25 25 HIS CE1 C 137.7 0.2 1 287 25 25 HIS N N 127.3 0.2 1 288 26 26 LEU H H 8.82 0.02 1 289 26 26 LEU HA H 5.16 0.02 1 290 26 26 LEU HB2 H 1.68 0.02 2 291 26 26 LEU HB3 H 1.74 0.02 2 292 26 26 LEU HD1 H 0.81 0.02 1 293 26 26 LEU HD2 H 1.05 0.02 1 294 26 26 LEU HG H 1.70 0.02 1 295 26 26 LEU C C 178.0 0.2 1 296 26 26 LEU CA C 52.9 0.2 1 297 26 26 LEU CB C 48.1 0.2 1 298 26 26 LEU CD1 C 27.6 0.2 1 299 26 26 LEU CD2 C 25.3 0.2 1 300 26 26 LEU CG C 26.8 0.2 1 301 26 26 LEU N N 121.6 0.2 1 302 27 27 LYS H H 8.99 0.02 1 303 27 27 LYS HA H 4.63 0.02 1 304 27 27 LYS HB2 H 1.74 0.02 2 305 27 27 LYS HB3 H 2.21 0.02 2 306 27 27 LYS HD2 H 1.82 0.02 2 307 27 27 LYS HD3 H 1.87 0.02 2 308 27 27 LYS HE2 H 3.07 0.02 2 309 27 27 LYS HG2 H 1.69 0.02 2 310 27 27 LYS HG3 H 1.73 0.02 2 311 27 27 LYS CA C 55.7 0.2 1 312 27 27 LYS CB C 31.9 0.2 1 313 27 27 LYS CD C 29.5 0.2 1 314 27 27 LYS CE C 42.3 0.2 1 315 27 27 LYS CG C 25.8 0.2 1 316 27 27 LYS N N 125.9 0.2 1 317 28 28 PRO HA H 4.50 0.02 1 318 28 28 PRO HB2 H 2.01 0.02 2 319 28 28 PRO HB3 H 2.07 0.02 2 320 28 28 PRO HD2 H 3.89 0.02 2 321 28 28 PRO HD3 H 3.98 0.02 2 322 28 28 PRO HG2 H 2.22 0.02 2 323 28 28 PRO HG3 H 2.28 0.02 2 324 28 28 PRO C C 177.9 0.2 1 325 28 28 PRO CA C 67.4 0.2 1 326 28 28 PRO CB C 32.1 0.2 1 327 28 28 PRO CD C 50.5 0.2 1 328 28 28 PRO CG C 28.4 0.2 1 329 29 29 GLU H H 9.88 0.02 1 330 29 29 GLU HA H 4.14 0.02 1 331 29 29 GLU HB2 H 2.07 0.02 2 332 29 29 GLU HB3 H 2.12 0.02 2 333 29 29 GLU HG2 H 2.36 0.02 2 334 29 29 GLU HG3 H 2.41 0.02 2 335 29 29 GLU C C 178.8 0.2 1 336 29 29 GLU CA C 60.6 0.2 1 337 29 29 GLU CB C 29.2 0.2 1 338 29 29 GLU CG C 36.9 0.2 1 339 29 29 GLU N N 117.1 0.2 1 340 30 30 VAL H H 7.05 0.02 1 341 30 30 VAL HA H 3.85 0.02 1 342 30 30 VAL HB H 2.26 0.02 1 343 30 30 VAL HG1 H 1.06 0.02 1 344 30 30 VAL HG2 H 1.08 0.02 1 345 30 30 VAL C C 177.7 0.2 1 346 30 30 VAL CA C 65.6 0.2 1 347 30 30 VAL CB C 32.1 0.2 1 348 30 30 VAL CG1 C 23.3 0.2 1 349 30 30 VAL CG2 C 23.1 0.2 1 350 30 30 VAL N N 120.9 0.2 1 351 31 31 PHE H H 8.98 0.02 1 352 31 31 PHE HA H 3.87 0.02 1 353 31 31 PHE HB2 H 2.68 0.02 2 354 31 31 PHE HB3 H 3.46 0.02 2 355 31 31 PHE HD1 H 6.63 0.02 3 356 31 31 PHE C C 176.7 0.2 1 357 31 31 PHE CA C 62.2 0.2 1 358 31 31 PHE CB C 39.3 0.2 1 359 31 31 PHE CD1 C 131.9 0.2 3 360 31 31 PHE N N 121.1 0.2 1 361 32 32 TYR H H 8.64 0.02 1 362 32 32 TYR HA H 3.88 0.02 1 363 32 32 TYR HB2 H 3.37 0.02 2 364 32 32 TYR HB3 H 3.46 0.02 2 365 32 32 TYR HD1 H 7.17 0.02 3 366 32 32 TYR HE1 H 6.84 0.02 3 367 32 32 TYR C C 176.0 0.2 1 368 32 32 TYR CA C 63.3 0.2 1 369 32 32 TYR CB C 39.1 0.2 1 370 32 32 TYR CD1 C 133.4 0.2 3 371 32 32 TYR CE1 C 118.1 0.2 3 372 32 32 TYR N N 117.4 0.2 1 373 33 33 GLU H H 7.40 0.02 1 374 33 33 GLU HA H 4.05 0.02 1 375 33 33 GLU HB2 H 2.35 0.02 2 376 33 33 GLU HB3 H 2.39 0.02 2 377 33 33 GLU HG2 H 2.65 0.02 2 378 33 33 GLU HG3 H 2.73 0.02 2 379 33 33 GLU C C 180.2 0.2 1 380 33 33 GLU CA C 59.5 0.2 1 381 33 33 GLU CB C 29.3 0.2 1 382 33 33 GLU CG C 35.5 0.2 1 383 33 33 GLU N N 116.1 0.2 1 384 34 34 VAL H H 8.53 0.02 1 385 34 34 VAL HA H 3.35 0.02 1 386 34 34 VAL HB H 2.00 0.02 1 387 34 34 VAL HG1 H 0.96 0.02 1 388 34 34 VAL HG2 H 1.08 0.02 1 389 34 34 VAL C C 175.8 0.2 1 390 34 34 VAL CA C 66.4 0.2 1 391 34 34 VAL CB C 32.2 0.2 1 392 34 34 VAL CG1 C 23.1 0.2 1 393 34 34 VAL CG2 C 24.4 0.2 1 394 34 34 VAL N N 120.6 0.2 1 395 35 35 TRP H H 9.10 0.02 1 396 35 35 TRP HA H 3.34 0.02 1 397 35 35 TRP HB2 H 2.44 0.02 2 398 35 35 TRP HB3 H 3.33 0.02 2 399 35 35 TRP HD1 H 6.14 0.02 1 400 35 35 TRP HE1 H 10.59 0.02 1 401 35 35 TRP HE3 H 7.38 0.02 1 402 35 35 TRP HH2 H 7.10 0.02 1 403 35 35 TRP HZ2 H 7.35 0.02 1 404 35 35 TRP HZ3 H 6.98 0.02 1 405 35 35 TRP C C 178.0 0.2 1 406 35 35 TRP CA C 61.8 0.2 1 407 35 35 TRP CB C 27.9 0.2 1 408 35 35 TRP CD1 C 124.5 0.2 1 409 35 35 TRP CE3 C 119.6 0.2 1 410 35 35 TRP CH2 C 125.2 0.2 1 411 35 35 TRP CZ2 C 115.0 0.2 1 412 35 35 TRP CZ3 C 122.4 0.2 1 413 35 35 TRP N N 121.7 0.2 1 414 35 35 TRP NE1 N 130.4 0.2 1 415 36 36 LYS H H 7.97 0.02 1 416 36 36 LYS HA H 3.33 0.02 1 417 36 36 LYS HB2 H 1.52 0.02 2 418 36 36 LYS HB3 H 1.66 0.02 2 419 36 36 LYS HD2 H 1.33 0.02 2 420 36 36 LYS HD3 H 1.39 0.02 2 421 36 36 LYS HE2 H 2.60 0.02 2 422 36 36 LYS HE3 H 2.85 0.02 2 423 36 36 LYS HG2 H 1.15 0.02 2 424 36 36 LYS HG3 H 1.17 0.02 2 425 36 36 LYS C C 180.0 0.2 1 426 36 36 LYS CA C 59.0 0.2 1 427 36 36 LYS CB C 31.8 0.2 1 428 36 36 LYS CD C 28.6 0.2 1 429 36 36 LYS CE C 41.9 0.2 1 430 36 36 LYS CG C 24.5 0.2 1 431 36 36 LYS N N 116.3 0.2 1 432 37 37 TYR H H 7.75 0.02 1 433 37 37 TYR HA H 3.94 0.02 1 434 37 37 TYR HB2 H 2.54 0.02 2 435 37 37 TYR HB3 H 2.68 0.02 2 436 37 37 TYR HD1 H 6.49 0.02 3 437 37 37 TYR HE1 H 6.52 0.02 3 438 37 37 TYR C C 177.6 0.2 1 439 37 37 TYR CA C 61.2 0.2 1 440 37 37 TYR CB C 38.8 0.2 1 441 37 37 TYR CD1 C 133.0 0.2 3 442 37 37 TYR CE1 C 117.8 0.2 3 443 37 37 TYR N N 122.7 0.2 1 444 38 38 VAL H H 7.66 0.02 1 445 38 38 VAL HA H 3.87 0.02 1 446 38 38 VAL HB H 2.18 0.02 1 447 38 38 VAL HG1 H 0.73 0.02 1 448 38 38 VAL HG2 H 0.47 0.02 1 449 38 38 VAL C C 175.6 0.2 1 450 38 38 VAL CA C 61.1 0.2 1 451 38 38 VAL CB C 30.7 0.2 1 452 38 38 VAL CG1 C 21.8 0.2 1 453 38 38 VAL CG2 C 19.3 0.2 1 454 38 38 VAL N N 108.2 0.2 1 455 39 39 GLY H H 7.09 0.02 1 456 39 39 GLY HA2 H 3.32 0.02 2 457 39 39 GLY HA3 H 3.73 0.02 2 458 39 39 GLY C C 173.6 0.2 1 459 39 39 GLY CA C 46.1 0.2 1 460 39 39 GLY N N 107.6 0.2 1 461 40 40 GLU H H 7.73 0.02 1 462 40 40 GLU HA H 1.09 0.02 1 463 40 40 GLU HB2 H 1.08 0.02 2 464 40 40 GLU HB3 H 1.57 0.02 2 465 40 40 GLU HG2 H -0.17 0.02 2 466 40 40 GLU HG3 H 1.15 0.02 2 467 40 40 GLU CA C 55.7 0.2 1 468 40 40 GLU CB C 27.2 0.2 1 469 40 40 GLU CG C 35.9 0.2 1 470 40 40 GLU N N 114.4 0.2 1 471 41 41 PRO HA H 4.31 0.02 1 472 41 41 PRO HB2 H 1.99 0.02 2 473 41 41 PRO HB3 H 2.01 0.02 2 474 41 41 PRO HD2 H 2.50 0.02 2 475 41 41 PRO HD3 H 2.74 0.02 2 476 41 41 PRO HG2 H 0.81 0.02 2 477 41 41 PRO HG3 H 0.85 0.02 2 478 41 41 PRO CA C 62.3 0.2 1 479 41 41 PRO CB C 32.7 0.2 1 480 41 41 PRO CD C 51.2 0.2 1 481 41 41 PRO CG C 27.2 0.2 1 482 42 42 GLU H H 8.11 0.02 1 483 42 42 GLU C C 175.8 0.2 1 484 42 42 GLU CA C 57.8 0.2 1 485 42 42 GLU CB C 30.6 0.2 1 486 42 42 GLU CG C 36.2 0.2 1 487 42 42 GLU N N 119.1 0.2 1 488 43 43 LEU H H 8.14 0.02 1 489 43 43 LEU HA H 4.84 0.02 1 490 43 43 LEU HB2 H 1.09 0.02 2 491 43 43 LEU HB3 H 1.65 0.02 2 492 43 43 LEU HD1 H 0.31 0.02 1 493 43 43 LEU HD2 H 0.58 0.02 1 494 43 43 LEU HG H 1.89 0.02 1 495 43 43 LEU C C 177.3 0.2 1 496 43 43 LEU CA C 53.7 0.2 1 497 43 43 LEU CB C 43.9 0.2 1 498 43 43 LEU CD1 C 26.6 0.2 1 499 43 43 LEU CD2 C 24.3 0.2 1 500 43 43 LEU CG C 26.6 0.2 1 501 43 43 LEU N N 124.7 0.2 1 502 44 44 LYS H H 8.64 0.02 1 503 44 44 LYS HA H 4.50 0.02 1 504 44 44 LYS HB2 H 0.29 0.02 2 505 44 44 LYS HB3 H 1.64 0.02 2 506 44 44 LYS HD2 H 1.47 0.02 2 507 44 44 LYS HD3 H 1.59 0.02 2 508 44 44 LYS HE2 H 2.86 0.02 2 509 44 44 LYS HE3 H 2.88 0.02 2 510 44 44 LYS HG2 H 1.13 0.02 2 511 44 44 LYS HG3 H 1.27 0.02 2 512 44 44 LYS C C 174.5 0.2 1 513 44 44 LYS CA C 54.7 0.2 1 514 44 44 LYS CB C 36.2 0.2 1 515 44 44 LYS CD C 29.6 0.2 1 516 44 44 LYS CE C 42.8 0.2 1 517 44 44 LYS CG C 26.0 0.2 1 518 44 44 LYS N N 123.3 0.2 1 519 45 45 THR H H 7.99 0.02 1 520 45 45 THR HA H 5.70 0.02 1 521 45 45 THR HB H 3.90 0.02 1 522 45 45 THR HG2 H 0.83 0.02 1 523 45 45 THR C C 175.1 0.2 1 524 45 45 THR CA C 59.6 0.2 1 525 45 45 THR CB C 73.4 0.2 1 526 45 45 THR CG2 C 21.6 0.2 1 527 45 45 THR N N 106.9 0.2 1 528 46 46 TYR H H 8.47 0.02 1 529 46 46 TYR HA H 4.93 0.02 1 530 46 46 TYR HB2 H 3.10 0.02 2 531 46 46 TYR HB3 H 3.14 0.02 2 532 46 46 TYR HD1 H 6.79 0.02 3 533 46 46 TYR HE1 H 6.30 0.02 3 534 46 46 TYR C C 172.4 0.2 1 535 46 46 TYR CA C 57.1 0.2 1 536 46 46 TYR CB C 40.2 0.2 1 537 46 46 TYR CD1 C 133.8 0.2 3 538 46 46 TYR CE1 C 118.4 0.2 3 539 46 46 TYR N N 117.1 0.2 1 540 47 47 VAL H H 8.43 0.02 1 541 47 47 VAL HA H 4.89 0.02 1 542 47 47 VAL HB H 1.83 0.02 1 543 47 47 VAL HG1 H 0.76 0.02 1 544 47 47 VAL HG2 H 0.80 0.02 1 545 47 47 VAL C C 175.8 0.2 1 546 47 47 VAL CA C 60.8 0.2 1 547 47 47 VAL CB C 34.8 0.2 1 548 47 47 VAL CG1 C 22.0 0.2 1 549 47 47 VAL CG2 C 21.4 0.2 1 550 47 47 VAL N N 119.2 0.2 1 551 48 48 ILE H H 8.68 0.02 1 552 48 48 ILE HA H 4.56 0.02 1 553 48 48 ILE HB H 1.84 0.02 1 554 48 48 ILE HD1 H 0.87 0.02 1 555 48 48 ILE HG12 H 1.08 0.02 2 556 48 48 ILE HG13 H 1.42 0.02 2 557 48 48 ILE HG2 H 0.91 0.02 1 558 48 48 ILE C C 174.5 0.2 1 559 48 48 ILE CA C 59.7 0.2 1 560 48 48 ILE CB C 41.5 0.2 1 561 48 48 ILE CD1 C 14.4 0.2 1 562 48 48 ILE CG1 C 27.4 0.2 1 563 48 48 ILE CG2 C 18.4 0.2 1 564 48 48 ILE N N 124.4 0.2 1 565 49 49 GLU H H 8.32 0.02 1 566 49 49 GLU C C 175.5 0.2 1 567 49 49 GLU CA C 55.5 0.2 1 568 49 49 GLU CB C 31.8 0.2 1 569 49 49 GLU CG C 37.2 0.2 1 570 49 49 GLU N N 123.4 0.2 1 571 50 50 ASP H H 8.61 0.02 1 572 50 50 ASP C C 175.1 0.2 1 573 50 50 ASP CA C 53.1 0.2 1 574 50 50 ASP CB C 44.0 0.2 1 575 50 50 ASP N N 124.3 0.2 1 576 51 51 GLU H H 8.45 0.02 1 577 51 51 GLU C C 175.9 0.2 1 578 51 51 GLU CA C 56.0 0.2 1 579 51 51 GLU CB C 31.7 0.2 1 580 51 51 GLU N N 121.3 0.2 1 581 52 52 ILE H H 8.48 0.02 1 582 52 52 ILE C C 175.4 0.2 1 583 52 52 ILE CA C 60.4 0.2 1 584 52 52 ILE CB C 40.0 0.2 1 585 52 52 ILE N N 122.7 0.2 1 586 53 53 VAL H H 8.14 0.02 1 587 53 53 VAL C C 175.6 0.2 1 588 53 53 VAL CA C 61.9 0.2 1 589 53 53 VAL CB C 33.2 0.2 1 590 53 53 VAL N N 124.4 0.2 1 591 54 54 GLU H H 8.54 0.02 1 592 54 54 GLU CA C 55.6 0.2 1 593 54 54 GLU CB C 34.3 0.2 1 594 54 54 GLU N N 125.9 0.2 1 595 55 55 PRO C C 177.5 0.2 1 596 55 55 PRO CA C 63.4 0.2 1 597 55 55 PRO CB C 32.3 0.2 1 598 56 56 GLY H H 8.42 0.02 1 599 56 56 GLY HA2 H 3.83 0.02 2 600 56 56 GLY HA3 H 4.00 0.02 2 601 56 56 GLY C C 174.5 0.2 1 602 56 56 GLY CA C 45.4 0.2 1 603 56 56 GLY N N 109.7 0.2 1 604 57 57 GLU H H 8.18 0.02 1 605 57 57 GLU C C 176.3 0.2 1 606 57 57 GLU CA C 57.5 0.2 1 607 57 57 GLU CB C 30.4 0.2 1 608 57 57 GLU N N 120.9 0.2 1 609 58 58 TYR H H 8.02 0.02 1 610 58 58 TYR C C 175.1 0.2 1 611 58 58 TYR CA C 57.4 0.2 1 612 58 58 TYR CB C 38.9 0.2 1 613 58 58 TYR N N 118.8 0.2 1 614 59 59 ASP H H 7.95 0.02 1 615 59 59 ASP CA C 52.7 0.2 1 616 59 59 ASP CB C 41.0 0.2 1 617 59 59 ASP N N 123.5 0.2 1 618 61 61 PRO HA H 4.51 0.02 1 619 61 61 PRO HB2 H 2.21 0.02 2 620 61 61 PRO HB3 H 2.23 0.02 2 621 61 61 PRO HD2 H 3.47 0.02 2 622 61 61 PRO HD3 H 3.56 0.02 2 623 61 61 PRO HG2 H 1.77 0.02 2 624 61 61 PRO HG3 H 1.93 0.02 2 625 61 61 PRO C C 176.5 0.2 1 626 61 61 PRO CA C 63.7 0.2 1 627 61 61 PRO CB C 34.2 0.2 1 628 61 61 PRO CD C 50.3 0.2 1 629 61 61 PRO CG C 24.8 0.2 1 630 62 62 GLU H H 8.49 0.02 1 631 62 62 GLU N N 124.6 0.2 1 632 64 64 LYS C C 176.3 0.2 1 633 64 64 LYS CA C 57.0 0.2 1 634 64 64 LYS CB C 33.1 0.2 1 635 65 65 TYR H H 7.96 0.02 1 636 65 65 TYR C C 176.0 0.2 1 637 65 65 TYR CA C 57.8 0.2 1 638 65 65 TYR CB C 38.8 0.2 1 639 65 65 TYR N N 119.3 0.2 1 640 66 66 THR H H 7.82 0.02 1 641 66 66 THR HA H 4.28 0.02 1 642 66 66 THR HB H 4.13 0.02 1 643 66 66 THR HG2 H 1.11 0.02 1 644 66 66 THR C C 174.1 0.2 1 645 66 66 THR CA C 62.1 0.2 1 646 66 66 THR CB C 70.0 0.2 1 647 66 66 THR CG2 C 21.8 0.2 1 648 66 66 THR N N 113.9 0.2 1 649 67 67 ASN H H 8.27 0.02 1 650 67 67 ASN C C 174.1 0.2 1 651 67 67 ASN CA C 53.4 0.2 1 652 67 67 ASN CB C 39.3 0.2 1 653 67 67 ASN N N 121.4 0.2 1 654 68 68 VAL H H 7.66 0.02 1 655 68 68 VAL C C 175.5 0.2 1 656 68 68 VAL CA C 61.8 0.2 1 657 68 68 VAL CB C 33.7 0.2 1 658 68 68 VAL N N 119.4 0.2 1 659 69 69 LYS H H 8.69 0.02 1 660 69 69 LYS C C 175.2 0.2 1 661 69 69 LYS CA C 55.2 0.2 1 662 69 69 LYS CB C 35.2 0.2 1 663 69 69 LYS N N 126.5 0.2 1 664 70 70 LYS H H 8.23 0.02 1 665 70 70 LYS C C 176.4 0.2 1 666 70 70 LYS CA C 55.6 0.2 1 667 70 70 LYS CB C 33.8 0.2 1 668 70 70 LYS N N 122.7 0.2 1 669 71 71 VAL H H 8.53 0.02 1 670 71 71 VAL HA H 4.51 0.02 1 671 71 71 VAL C C 174.7 0.2 1 672 71 71 VAL CA C 60.9 0.2 1 673 71 71 VAL CB C 34.8 0.2 1 674 71 71 VAL CG1 C 21.6 0.2 1 675 71 71 VAL CG2 C 20.2 0.2 1 676 71 71 VAL N N 121.2 0.2 1 677 72 72 LYS H H 8.21 0.02 1 678 72 72 LYS HA H 4.80 0.02 1 679 72 72 LYS HB2 H 1.51 0.02 2 680 72 72 LYS HB3 H 1.66 0.02 2 681 72 72 LYS HD2 H 1.56 0.02 2 682 72 72 LYS HD3 H 1.58 0.02 2 683 72 72 LYS HG2 H 1.22 0.02 2 684 72 72 LYS HG3 H 1.42 0.02 2 685 72 72 LYS C C 176.2 0.2 1 686 72 72 LYS CA C 55.7 0.2 1 687 72 72 LYS CB C 33.7 0.2 1 688 72 72 LYS CD C 29.4 0.2 1 689 72 72 LYS CG C 25.7 0.2 1 690 72 72 LYS N N 123.6 0.2 1 691 73 73 ILE H H 8.89 0.02 1 692 73 73 ILE C C 174.4 0.2 1 693 73 73 ILE CA C 60.4 0.2 1 694 73 73 ILE CB C 40.8 0.2 1 695 73 73 ILE CD1 C 13.4 0.2 1 696 73 73 ILE CG1 C 27.3 0.2 1 697 73 73 ILE CG2 C 18.0 0.2 1 698 73 73 ILE N N 125.1 0.2 1 699 74 74 LYS H H 8.42 0.02 1 700 74 74 LYS HA H 4.80 0.02 1 701 74 74 LYS HB2 H 1.57 0.02 2 702 74 74 LYS HB3 H 1.68 0.02 2 703 74 74 LYS HD2 H 1.09 0.02 2 704 74 74 LYS HD3 H 1.16 0.02 2 705 74 74 LYS HE2 H 2.08 0.02 2 706 74 74 LYS HE3 H 2.41 0.02 2 707 74 74 LYS HG2 H 0.94 0.02 2 708 74 74 LYS HG3 H 1.18 0.02 2 709 74 74 LYS C C 175.6 0.2 1 710 74 74 LYS CA C 56.2 0.2 1 711 74 74 LYS CB C 34.3 0.2 1 712 74 74 LYS CD C 29.7 0.2 1 713 74 74 LYS CE C 41.6 0.2 1 714 74 74 LYS CG C 25.6 0.2 1 715 74 74 LYS N N 126.4 0.2 1 716 75 75 LYS H H 9.09 0.02 1 717 75 75 LYS HA H 4.80 0.02 1 718 75 75 LYS HB2 H 0.49 0.02 2 719 75 75 LYS HB3 H 1.29 0.02 2 720 75 75 LYS HD2 H 1.27 0.02 2 721 75 75 LYS HD3 H 1.50 0.02 2 722 75 75 LYS HE2 H 2.55 0.02 2 723 75 75 LYS HE3 H 2.68 0.02 2 724 75 75 LYS HG2 H 0.96 0.02 2 725 75 75 LYS HG3 H 1.01 0.02 2 726 75 75 LYS C C 174.9 0.2 1 727 75 75 LYS CA C 53.2 0.2 1 728 75 75 LYS CB C 34.2 0.2 1 729 75 75 LYS CD C 28.5 0.2 1 730 75 75 LYS CE C 43.0 0.2 1 731 75 75 LYS CG C 24.6 0.2 1 732 75 75 LYS N N 127.5 0.2 1 733 76 76 VAL H H 8.61 0.02 1 734 76 76 VAL HA H 5.34 0.02 1 735 76 76 VAL HB H 1.67 0.02 1 736 76 76 VAL HG1 H 0.13 0.02 1 737 76 76 VAL HG2 H 0.79 0.02 1 738 76 76 VAL C C 171.4 0.2 1 739 76 76 VAL CA C 58.0 0.2 1 740 76 76 VAL CB C 36.4 0.2 1 741 76 76 VAL CG1 C 20.5 0.2 1 742 76 76 VAL CG2 C 23.6 0.2 1 743 76 76 VAL N N 120.1 0.2 1 744 77 77 TYR H H 9.11 0.02 1 745 77 77 TYR HA H 6.15 0.02 1 746 77 77 TYR HB2 H 2.77 0.02 2 747 77 77 TYR HB3 H 2.89 0.02 2 748 77 77 TYR HD1 H 6.57 0.02 3 749 77 77 TYR HE1 H 6.51 0.02 3 750 77 77 TYR C C 173.6 0.2 1 751 77 77 TYR CA C 56.2 0.2 1 752 77 77 TYR CB C 44.0 0.2 1 753 77 77 TYR CD1 C 133.4 0.2 3 754 77 77 TYR CE1 C 118.0 0.2 3 755 77 77 TYR N N 121.3 0.2 1 756 78 78 PHE H H 8.19 0.02 1 757 78 78 PHE HA H 5.13 0.02 1 758 78 78 PHE HB2 H 2.99 0.02 2 759 78 78 PHE HB3 H 3.25 0.02 2 760 78 78 PHE HD1 H 6.92 0.02 3 761 78 78 PHE HE1 H 6.49 0.02 3 762 78 78 PHE HZ H 6.67 0.02 1 763 78 78 PHE C C 173.6 0.2 1 764 78 78 PHE CA C 55.9 0.2 1 765 78 78 PHE CB C 42.5 0.2 1 766 78 78 PHE CD1 C 133.3 0.2 3 767 78 78 PHE CE1 C 130.2 0.2 3 768 78 78 PHE CZ C 128.7 0.2 1 769 78 78 PHE N N 112.7 0.2 1 770 79 79 GLU H H 8.92 0.02 1 771 79 79 GLU HA H 5.39 0.02 1 772 79 79 GLU HB2 H 2.00 0.02 2 773 79 79 GLU HB3 H 2.15 0.02 2 774 79 79 GLU HG2 H 2.23 0.02 2 775 79 79 GLU HG3 H 2.38 0.02 2 776 79 79 GLU C C 177.0 0.2 1 777 79 79 GLU CA C 54.9 0.2 1 778 79 79 GLU CB C 33.6 0.2 1 779 79 79 GLU CG C 37.7 0.2 1 780 79 79 GLU N N 120.5 0.2 1 781 80 80 THR H H 8.97 0.02 1 782 80 80 THR HA H 4.70 0.02 1 783 80 80 THR HB H 4.89 0.02 1 784 80 80 THR HG1 H 6.08 0.02 1 785 80 80 THR HG2 H 0.99 0.02 1 786 80 80 THR C C 177.0 0.2 1 787 80 80 THR CA C 61.3 0.2 1 788 80 80 THR CB C 70.5 0.2 1 789 80 80 THR CG2 C 22.6 0.2 1 790 80 80 THR N N 113.2 0.2 1 791 81 81 LEU H H 8.61 0.02 1 792 81 81 LEU HA H 4.23 0.02 1 793 81 81 LEU HB2 H 1.64 0.02 2 794 81 81 LEU HB3 H 1.68 0.02 2 795 81 81 LEU HD1 H 0.93 0.02 1 796 81 81 LEU HD2 H 0.92 0.02 1 797 81 81 LEU HG H 1.71 0.02 1 798 81 81 LEU C C 177.4 0.2 1 799 81 81 LEU CA C 57.7 0.2 1 800 81 81 LEU CB C 42.4 0.2 1 801 81 81 LEU CD1 C 25.0 0.2 1 802 81 81 LEU CD2 C 23.9 0.2 1 803 81 81 LEU CG C 27.4 0.2 1 804 81 81 LEU N N 120.9 0.2 1 805 82 82 ASP H H 8.85 0.02 1 806 82 82 ASP HA H 4.67 0.02 1 807 82 82 ASP HB2 H 2.59 0.02 2 808 82 82 ASP HB3 H 3.03 0.02 2 809 82 82 ASP C C 174.1 0.2 1 810 82 82 ASP CA C 52.7 0.2 1 811 82 82 ASP CB C 37.9 0.2 1 812 82 82 ASP N N 112.3 0.2 1 813 83 83 ASN H H 7.79 0.02 1 814 83 83 ASN HA H 4.27 0.02 1 815 83 83 ASN HB2 H 2.80 0.02 2 816 83 83 ASN HB3 H 3.00 0.02 2 817 83 83 ASN HD21 H 6.67 0.02 2 818 83 83 ASN HD22 H 7.47 0.02 2 819 83 83 ASN C C 176.1 0.2 1 820 83 83 ASN CA C 55.3 0.2 1 821 83 83 ASN CB C 36.9 0.2 1 822 83 83 ASN N N 113.0 0.2 1 823 83 83 ASN ND2 N 111.6 0.2 1 824 84 84 VAL H H 7.66 0.02 1 825 84 84 VAL HA H 4.27 0.02 1 826 84 84 VAL HB H 1.93 0.02 1 827 84 84 VAL HG1 H 0.62 0.02 1 828 84 84 VAL HG2 H 0.69 0.02 1 829 84 84 VAL C C 175.8 0.2 1 830 84 84 VAL CA C 61.5 0.2 1 831 84 84 VAL CB C 33.5 0.2 1 832 84 84 VAL CG1 C 20.8 0.2 1 833 84 84 VAL CG2 C 22.3 0.2 1 834 84 84 VAL N N 119.7 0.2 1 835 85 85 ARG H H 8.18 0.02 1 836 85 85 ARG HA H 4.87 0.02 1 837 85 85 ARG HB2 H 1.17 0.02 2 838 85 85 ARG HB3 H 1.51 0.02 2 839 85 85 ARG HD2 H 1.99 0.02 2 840 85 85 ARG HD3 H 2.35 0.02 2 841 85 85 ARG HE H 7.05 0.02 1 842 85 85 ARG HG2 H 1.19 0.02 2 843 85 85 ARG HG3 H 1.66 0.02 2 844 85 85 ARG C C 174.0 0.2 1 845 85 85 ARG CA C 55.7 0.2 1 846 85 85 ARG CB C 32.6 0.2 1 847 85 85 ARG CD C 43.4 0.2 1 848 85 85 ARG CG C 27.8 0.2 1 849 85 85 ARG N N 124.8 0.2 1 850 85 85 ARG NE N 83.4 0.2 1 851 86 86 VAL H H 8.57 0.02 1 852 86 86 VAL HA H 4.58 0.02 1 853 86 86 VAL HB H 0.29 0.02 1 854 86 86 VAL HG1 H 0.56 0.02 1 855 86 86 VAL HG2 H 0.35 0.02 1 856 86 86 VAL C C 175.7 0.2 1 857 86 86 VAL CA C 61.7 0.2 1 858 86 86 VAL CB C 30.9 0.2 1 859 86 86 VAL CG1 C 22.7 0.2 1 860 86 86 VAL CG2 C 21.4 0.2 1 861 86 86 VAL N N 127.3 0.2 1 862 87 87 VAL H H 8.79 0.02 1 863 87 87 VAL HA H 5.01 0.02 1 864 87 87 VAL HB H 1.00 0.02 1 865 87 87 VAL HG1 H 0.84 0.02 1 866 87 87 VAL HG2 H 0.52 0.02 1 867 87 87 VAL C C 175.5 0.2 1 868 87 87 VAL CA C 61.9 0.2 1 869 87 87 VAL CB C 36.3 0.2 1 870 87 87 VAL CG1 C 23.3 0.2 1 871 87 87 VAL CG2 C 21.6 0.2 1 872 87 87 VAL N N 125.7 0.2 1 873 88 88 THR H H 8.35 0.02 1 874 88 88 THR HA H 4.62 0.02 1 875 88 88 THR HB H 3.59 0.02 1 876 88 88 THR HG1 H 5.26 0.02 1 877 88 88 THR HG2 H -0.16 0.02 1 878 88 88 THR C C 173.3 0.2 1 879 88 88 THR CA C 61.7 0.2 1 880 88 88 THR CB C 70.4 0.2 1 881 88 88 THR CG2 C 17.9 0.2 1 882 88 88 THR N N 117.5 0.2 1 883 89 89 ASP H H 7.70 0.02 1 884 89 89 ASP HA H 4.48 0.02 1 885 89 89 ASP HB2 H 2.61 0.02 2 886 89 89 ASP HB3 H 2.66 0.02 2 887 89 89 ASP C C 175.9 0.2 1 888 89 89 ASP CA C 55.9 0.2 1 889 89 89 ASP CB C 43.9 0.2 1 890 89 89 ASP N N 120.8 0.2 1 891 90 90 TYR H H 8.24 0.02 1 892 90 90 TYR HA H 3.92 0.02 1 893 90 90 TYR HB2 H 2.57 0.02 2 894 90 90 TYR HB3 H 2.72 0.02 2 895 90 90 TYR HD1 H 6.84 0.02 3 896 90 90 TYR HE1 H 6.76 0.02 3 897 90 90 TYR C C 176.4 0.2 1 898 90 90 TYR CA C 62.3 0.2 1 899 90 90 TYR CB C 39.5 0.2 1 900 90 90 TYR CD1 C 133.0 0.2 3 901 90 90 TYR CE1 C 118.4 0.2 3 902 90 90 TYR N N 126.1 0.2 1 903 91 91 SER H H 9.16 0.02 1 904 91 91 SER HA H 4.00 0.02 1 905 91 91 SER HB2 H 3.89 0.02 2 906 91 91 SER HB3 H 4.04 0.02 2 907 91 91 SER C C 178.0 0.2 1 908 91 91 SER CA C 62.6 0.2 1 909 91 91 SER CB C 62.2 0.2 1 910 91 91 SER N N 116.6 0.2 1 911 92 92 GLU H H 8.59 0.02 1 912 92 92 GLU HA H 4.05 0.02 1 913 92 92 GLU HB2 H 1.87 0.02 2 914 92 92 GLU HB3 H 2.08 0.02 2 915 92 92 GLU HG2 H 2.35 0.02 2 916 92 92 GLU HG3 H 2.43 0.02 2 917 92 92 GLU C C 179.4 0.2 1 918 92 92 GLU CA C 58.9 0.2 1 919 92 92 GLU CB C 30.6 0.2 1 920 92 92 GLU CG C 36.2 0.2 1 921 92 92 GLU N N 120.2 0.2 1 922 93 93 PHE H H 7.87 0.02 1 923 93 93 PHE HA H 4.05 0.02 1 924 93 93 PHE HB2 H 2.82 0.02 2 925 93 93 PHE HB3 H 2.86 0.02 2 926 93 93 PHE HD1 H 6.87 0.02 3 927 93 93 PHE HE1 H 6.94 0.02 3 928 93 93 PHE HZ H 6.01 0.02 1 929 93 93 PHE C C 176.5 0.2 1 930 93 93 PHE CA C 62.2 0.2 1 931 93 93 PHE CB C 39.7 0.2 1 932 93 93 PHE CD1 C 131.4 0.2 3 933 93 93 PHE CE1 C 131.4 0.2 3 934 93 93 PHE CZ C 129.7 0.2 1 935 93 93 PHE N N 120.2 0.2 1 936 94 94 GLN H H 8.19 0.02 1 937 94 94 GLN HA H 3.39 0.02 1 938 94 94 GLN HB2 H 1.75 0.02 2 939 94 94 GLN HB3 H 1.80 0.02 2 940 94 94 GLN HE21 H 6.20 0.02 2 941 94 94 GLN HE22 H 6.66 0.02 2 942 94 94 GLN HG2 H 1.77 0.02 2 943 94 94 GLN HG3 H 1.87 0.02 2 944 94 94 GLN C C 178.6 0.2 1 945 94 94 GLN CA C 58.8 0.2 1 946 94 94 GLN CB C 28.4 0.2 1 947 94 94 GLN CG C 33.6 0.2 1 948 94 94 GLN N N 116.8 0.2 1 949 94 94 GLN NE2 N 110.6 0.2 1 950 95 95 LYS H H 7.06 0.02 1 951 95 95 LYS HA H 3.78 0.02 1 952 95 95 LYS HB2 H 1.80 0.02 2 953 95 95 LYS HB3 H 1.85 0.02 2 954 95 95 LYS HD2 H 1.60 0.02 2 955 95 95 LYS HD3 H 1.64 0.02 2 956 95 95 LYS HE2 H 2.85 0.02 2 957 95 95 LYS HE3 H 2.86 0.02 2 958 95 95 LYS HG2 H 1.29 0.02 2 959 95 95 LYS HG3 H 1.57 0.02 2 960 95 95 LYS C C 179.3 0.2 1 961 95 95 LYS CA C 59.9 0.2 1 962 95 95 LYS CB C 32.7 0.2 1 963 95 95 LYS CD C 29.8 0.2 1 964 95 95 LYS CE C 42.3 0.2 1 965 95 95 LYS CG C 25.6 0.2 1 966 95 95 LYS N N 117.5 0.2 1 967 96 96 ILE H H 7.24 0.02 1 968 96 96 ILE HA H 3.42 0.02 1 969 96 96 ILE HB H 1.67 0.02 1 970 96 96 ILE HD1 H 0.73 0.02 1 971 96 96 ILE HG12 H 1.11 0.02 2 972 96 96 ILE HG13 H 1.45 0.02 2 973 96 96 ILE HG2 H 0.31 0.02 1 974 96 96 ILE C C 177.8 0.2 1 975 96 96 ILE CA C 64.3 0.2 1 976 96 96 ILE CB C 37.4 0.2 1 977 96 96 ILE CD1 C 13.3 0.2 1 978 96 96 ILE CG1 C 28.7 0.2 1 979 96 96 ILE CG2 C 17.2 0.2 1 980 96 96 ILE N N 120.7 0.2 1 981 97 97 LEU H H 7.69 0.02 1 982 97 97 LEU HA H 3.58 0.02 1 983 97 97 LEU HB2 H 1.12 0.02 2 984 97 97 LEU HB3 H 1.23 0.02 2 985 97 97 LEU HD1 H 0.64 0.02 1 986 97 97 LEU HD2 H 0.61 0.02 1 987 97 97 LEU HG H 0.97 0.02 1 988 97 97 LEU C C 179.9 0.2 1 989 97 97 LEU CA C 58.1 0.2 1 990 97 97 LEU CB C 41.5 0.2 1 991 97 97 LEU CD1 C 25.4 0.2 1 992 97 97 LEU CD2 C 23.9 0.2 1 993 97 97 LEU CG C 26.3 0.2 1 994 97 97 LEU N N 120.0 0.2 1 995 98 98 LYS H H 7.51 0.02 1 996 98 98 LYS HA H 3.95 0.02 1 997 98 98 LYS HB2 H 1.75 0.02 2 998 98 98 LYS HB3 H 1.79 0.02 2 999 98 98 LYS HD2 H 1.55 0.02 2 1000 98 98 LYS HD3 H 1.58 0.02 2 1001 98 98 LYS HE2 H 2.87 0.02 2 1002 98 98 LYS HE3 H 2.89 0.02 2 1003 98 98 LYS HG2 H 1.35 0.02 2 1004 98 98 LYS HG3 H 1.43 0.02 2 1005 98 98 LYS C C 178.7 0.2 1 1006 98 98 LYS CA C 58.7 0.2 1 1007 98 98 LYS CB C 32.5 0.2 1 1008 98 98 LYS CD C 29.1 0.2 1 1009 98 98 LYS CE C 42.5 0.2 1 1010 98 98 LYS CG C 25.3 0.2 1 1011 98 98 LYS N N 117.3 0.2 1 1012 99 99 LYS H H 7.47 0.02 1 1013 99 99 LYS HA H 4.08 0.02 1 1014 99 99 LYS HB2 H 1.79 0.02 2 1015 99 99 LYS HB3 H 1.82 0.02 2 1016 99 99 LYS HD2 H 1.57 0.02 2 1017 99 99 LYS HD3 H 1.59 0.02 2 1018 99 99 LYS HE2 H 2.86 0.02 2 1019 99 99 LYS HE3 H 2.88 0.02 2 1020 99 99 LYS HG2 H 1.37 0.02 2 1021 99 99 LYS HG3 H 1.45 0.02 2 1022 99 99 LYS C C 178.1 0.2 1 1023 99 99 LYS CA C 58.4 0.2 1 1024 99 99 LYS CB C 33.0 0.2 1 1025 99 99 LYS CD C 29.4 0.2 1 1026 99 99 LYS CE C 42.4 0.2 1 1027 99 99 LYS CG C 25.3 0.2 1 1028 99 99 LYS N N 119.0 0.2 1 1029 100 100 ARG H H 8.02 0.02 1 1030 100 100 ARG HA H 4.21 0.02 1 1031 100 100 ARG HB2 H 1.60 0.02 2 1032 100 100 ARG HB3 H 1.89 0.02 2 1033 100 100 ARG HD2 H 2.90 0.02 2 1034 100 100 ARG HD3 H 3.00 0.02 2 1035 100 100 ARG HG2 H 1.32 0.02 2 1036 100 100 ARG HG3 H 1.51 0.02 2 1037 100 100 ARG C C 177.5 0.2 1 1038 100 100 ARG CA C 56.7 0.2 1 1039 100 100 ARG CB C 30.5 0.2 1 1040 100 100 ARG CD C 42.9 0.2 1 1041 100 100 ARG CG C 27.2 0.2 1 1042 100 100 ARG N N 117.3 0.2 1 1043 101 101 GLY H H 7.91 0.02 1 1044 101 101 GLY HA2 H 3.98 0.02 2 1045 101 101 GLY HA3 H 4.02 0.02 2 1046 101 101 GLY C C 174.4 0.2 1 1047 101 101 GLY CA C 46.0 0.2 1 1048 101 101 GLY N N 108.0 0.2 1 1049 102 102 THR H H 7.88 0.02 1 1050 102 102 THR HA H 4.36 0.02 1 1051 102 102 THR HB H 4.19 0.02 1 1052 102 102 THR HG2 H 1.22 0.02 1 1053 102 102 THR C C 174.4 0.2 1 1054 102 102 THR CA C 62.1 0.2 1 1055 102 102 THR CB C 70.5 0.2 1 1056 102 102 THR CG2 C 21.9 0.2 1 1057 102 102 THR N N 113.9 0.2 1 1058 103 103 LYS H H 8.44 0.02 1 1059 103 103 LYS C C 176.4 0.2 1 1060 103 103 LYS CA C 56.6 0.2 1 1061 103 103 LYS CB C 33.3 0.2 1 1062 103 103 LYS N N 124.0 0.2 1 1063 104 104 LEU H H 8.18 0.02 1 1064 104 104 LEU HA H 4.27 0.02 1 1065 104 104 LEU HB2 H 1.48 0.02 2 1066 104 104 LEU HB3 H 1.52 0.02 2 1067 104 104 LEU HD1 H 0.84 0.02 1 1068 104 104 LEU HD2 H 0.79 0.02 1 1069 104 104 LEU HG H 1.50 0.02 1 1070 104 104 LEU C C 177.1 0.2 1 1071 104 104 LEU CA C 55.5 0.2 1 1072 104 104 LEU CB C 42.5 0.2 1 1073 104 104 LEU CD1 C 25.2 0.2 1 1074 104 104 LEU CD2 C 24.0 0.2 1 1075 104 104 LEU CG C 27.2 0.2 1 1076 104 104 LEU N N 123.5 0.2 1 1077 105 105 GLU H H 8.27 0.02 1 1078 105 105 GLU CA C 56.7 0.2 1 1079 105 105 GLU CB C 30.8 0.2 1 1080 105 105 GLU N N 121.7 0.2 1 stop_ save_