data_17747 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Fumarate reductase flavoprotein subunit from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR145J ; _BMRB_accession_number 17747 _BMRB_flat_file_name bmr17747.str _Entry_type original _Submission_date 2011-06-29 _Accession_date 2011-06-29 _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 Liu Gaohua . . 2 Tang Yuefeng . . 3 Xiao Rong . . 4 Janjua Haleema . . 5 Ciccosanti colleen . . 6 Wang Huang . . 7 Acton Thomas . . 8 Everett John K. . 9 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 910 "13C chemical shifts" 676 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target LpR145J' _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 Liu Gaohua . . 2 Tang Yuefeng . . 3 Xiao Rong . . 4 Janjua Haleema . . 5 Ciccosanti colleen T. . 6 Wang Huang . . 7 Acton Thomas . . 8 Everett John K. . 9 Montelione Gaetano T. . stop_ _Journal_abbreviation 'To be published' _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 LpR145J _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LpR145J $LpR145J stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LpR145J _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LpR145J _Molecular_mass 18527.973 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MVEPGVAKLTTYASKQATDM GAIYVNSKGDRIVNESNVYT TFRNAILKQADKVAYLVMDE RTWKKVYDLLILHDFTPEEI KSFFENKGKRPVFVKGSLES AAEQAGIVVDELVQTVKNYQ GYVQDGHDHDFGRDPKYLHQ FEGETFYIIEQRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLU 4 PRO 5 GLY 6 VAL 7 ALA 8 LYS 9 LEU 10 THR 11 THR 12 TYR 13 ALA 14 SER 15 LYS 16 GLN 17 ALA 18 THR 19 ASP 20 MET 21 GLY 22 ALA 23 ILE 24 TYR 25 VAL 26 ASN 27 SER 28 LYS 29 GLY 30 ASP 31 ARG 32 ILE 33 VAL 34 ASN 35 GLU 36 SER 37 ASN 38 VAL 39 TYR 40 THR 41 THR 42 PHE 43 ARG 44 ASN 45 ALA 46 ILE 47 LEU 48 LYS 49 GLN 50 ALA 51 ASP 52 LYS 53 VAL 54 ALA 55 TYR 56 LEU 57 VAL 58 MET 59 ASP 60 GLU 61 ARG 62 THR 63 TRP 64 LYS 65 LYS 66 VAL 67 TYR 68 ASP 69 LEU 70 LEU 71 ILE 72 LEU 73 HIS 74 ASP 75 PHE 76 THR 77 PRO 78 GLU 79 GLU 80 ILE 81 LYS 82 SER 83 PHE 84 PHE 85 GLU 86 ASN 87 LYS 88 GLY 89 LYS 90 ARG 91 PRO 92 VAL 93 PHE 94 VAL 95 LYS 96 GLY 97 SER 98 LEU 99 GLU 100 SER 101 ALA 102 ALA 103 GLU 104 GLN 105 ALA 106 GLY 107 ILE 108 VAL 109 VAL 110 ASP 111 GLU 112 LEU 113 VAL 114 GLN 115 THR 116 VAL 117 LYS 118 ASN 119 TYR 120 GLN 121 GLY 122 TYR 123 VAL 124 GLN 125 ASP 126 GLY 127 HIS 128 ASP 129 HIS 130 ASP 131 PHE 132 GLY 133 ARG 134 ASP 135 PRO 136 LYS 137 TYR 138 LEU 139 HIS 140 GLN 141 PHE 142 GLU 143 GLY 144 GLU 145 THR 146 PHE 147 TYR 148 ILE 149 ILE 150 GLU 151 GLN 152 ARG 153 LEU 154 GLU 155 HIS 156 HIS 157 HIS 158 HIS 159 HIS 160 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 2LFC "Solution Nmr Structure Of Fumarate Reductase Flavoprotein Subunit From Lactobacillus Plantarum, Northeast Structural Genomics C" 100.00 160 100.00 100.00 7.88e-114 EMBL CCC80459 "fumarate reductase, flavoprotein subunit precursor [Lactobacillus plantarum WCFS1]" 94.38 763 100.00 100.00 4.05e-100 EMBL CDN28269 "K00244 fumarate reductase flavoprotein subunit [Lactobacillus plantarum]" 94.38 763 100.00 100.00 4.41e-100 GB ACT63669 "fumarate reductase, flavoprotein subunit precursor [Lactobacillus plantarum JDM1]" 94.38 763 100.00 100.00 4.05e-100 GB ADO00073 "fumarate reductase, flavoprotein subunit precursor [Lactobacillus plantarum subsp. plantarum ST-III]" 94.38 763 100.00 100.00 4.05e-100 GB AGE37659 "Fumarate reductase, flavoprotein subunit [Lactobacillus plantarum ZJ316]" 94.38 763 100.00 100.00 4.05e-100 GB AGL65584 "Fumarate reductase, flavoprotein subunit [Lactobacillus plantarum subsp. plantarum P-8]" 94.38 763 100.00 100.00 4.65e-100 GB AGO09388 "fumarate reductase, flavoprotein subunit [Lactobacillus plantarum 16]" 94.38 763 100.00 100.00 4.65e-100 REF WP_003643070 "fumarate reductase [Lactobacillus plantarum]" 94.38 763 100.00 100.00 4.05e-100 REF WP_003643562 "fumarate reductase [Lactobacillus plantarum]" 94.38 763 100.00 100.00 3.72e-100 REF WP_003645691 "fumarate reductase flavoprotein subunit [Lactobacillus plantarum]" 94.38 759 99.34 100.00 1.68e-99 REF WP_015641109 "fumarate reductase flavoprotein subunit [Lactobacillus plantarum]" 94.38 763 100.00 100.00 4.65e-100 REF WP_021730084 "MULTISPECIES: fumarate reductase flavoprotein subunit precursor [Lactobacillus]" 94.38 763 99.34 99.34 2.38e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LpR145J 'Lactobacillus plantarum' 1590 Bacteria . Lactobacillus plantarum 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 $LpR145J 'recombinant technology' . Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Saveframe_category sample _Sample_type solution _Details '1.41 mM [U-100% 13C; U-100% 15N]' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LpR145J 1.41 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_NC5 _Saveframe_category sample _Sample_type solution _Details '0.9 mM [U-5% 13C; U-100% 15N]' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LpR145J 0.90 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_NC save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_NC save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_NC save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_NC5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 293 . 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 n/a indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LpR145J _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 GLU HA H 4.579 0.020 1 2 3 3 GLU HB2 H 1.867 0.020 2 3 3 3 GLU HB3 H 2.058 0.020 2 4 3 3 GLU HG2 H 2.284 0.020 1 5 3 3 GLU HG3 H 2.283 0.020 1 6 3 3 GLU CA C 54.055 0.400 1 7 3 3 GLU CB C 29.311 0.400 1 8 3 3 GLU CG C 35.874 0.400 1 9 4 4 PRO HA H 4.350 0.020 1 10 4 4 PRO HB2 H 1.903 0.020 2 11 4 4 PRO HB3 H 2.241 0.020 2 12 4 4 PRO HG2 H 1.945 0.020 2 13 4 4 PRO HG3 H 2.032 0.020 2 14 4 4 PRO HD2 H 3.711 0.020 2 15 4 4 PRO HD3 H 3.796 0.020 2 16 4 4 PRO C C 177.577 0.400 1 17 4 4 PRO CA C 63.574 0.400 1 18 4 4 PRO CB C 31.814 0.400 1 19 4 4 PRO CG C 27.140 0.400 1 20 4 4 PRO CD C 50.449 0.400 1 21 5 5 GLY H H 8.657 0.020 1 22 5 5 GLY HA2 H 3.937 0.020 2 23 5 5 GLY HA3 H 3.935 0.020 2 24 5 5 GLY C C 174.040 0.400 1 25 5 5 GLY CA C 45.259 0.400 1 26 5 5 GLY N N 108.723 0.400 1 27 6 6 VAL H H 7.813 0.020 1 28 6 6 VAL HA H 3.949 0.020 1 29 6 6 VAL HB H 2.010 0.020 1 30 6 6 VAL HG1 H 0.840 0.020 1 31 6 6 VAL HG2 H 0.841 0.020 1 32 6 6 VAL C C 176.045 0.400 1 33 6 6 VAL CA C 62.624 0.400 1 34 6 6 VAL CB C 32.115 0.400 1 35 6 6 VAL CG1 C 20.886 0.400 1 36 6 6 VAL CG2 C 20.886 0.400 1 37 6 6 VAL N N 119.386 0.400 1 38 7 7 ALA H H 8.206 0.020 1 39 7 7 ALA HA H 3.909 0.020 1 40 7 7 ALA HB H 1.067 0.020 1 41 7 7 ALA C C 177.347 0.400 1 42 7 7 ALA CA C 52.925 0.400 1 43 7 7 ALA CB C 18.348 0.400 1 44 7 7 ALA N N 126.759 0.400 1 45 8 8 LYS H H 7.886 0.020 1 46 8 8 LYS HA H 4.222 0.020 1 47 8 8 LYS HB2 H 1.747 0.020 2 48 8 8 LYS HB3 H 1.756 0.020 2 49 8 8 LYS HG2 H 1.303 0.020 1 50 8 8 LYS HG3 H 1.303 0.020 1 51 8 8 LYS HD2 H 1.541 0.020 2 52 8 8 LYS HD3 H 1.546 0.020 2 53 8 8 LYS HE2 H 2.830 0.020 1 54 8 8 LYS HE3 H 2.829 0.020 1 55 8 8 LYS CA C 56.655 0.400 1 56 8 8 LYS CB C 33.139 0.400 1 57 8 8 LYS CG C 24.389 0.400 1 58 8 8 LYS CD C 28.764 0.400 1 59 8 8 LYS CE C 41.889 0.400 1 60 8 8 LYS N N 119.388 0.400 1 61 9 9 LEU HD1 H 0.646 0.020 2 62 9 9 LEU HD2 H 0.614 0.020 2 63 9 9 LEU CD1 C 24.936 0.400 1 64 9 9 LEU CD2 C 24.389 0.400 1 65 10 10 THR HB H 4.217 0.020 1 66 10 10 THR HG2 H 1.153 0.020 1 67 10 10 THR CB C 69.780 0.400 1 68 11 11 THR HA H 3.897 0.020 1 69 11 11 THR HB H 4.024 0.020 1 70 11 11 THR HG2 H 1.000 0.020 1 71 11 11 THR CA C 65.405 0.400 1 72 11 11 THR CB C 68.139 0.400 1 73 11 11 THR CG2 C 21.655 0.400 1 74 12 12 TYR HA H 4.251 0.020 1 75 12 12 TYR HB2 H 2.915 0.020 1 76 12 12 TYR HB3 H 2.915 0.020 1 77 12 12 TYR HD1 H 6.898 0.020 1 78 12 12 TYR HD2 H 6.898 0.020 1 79 12 12 TYR HE1 H 6.630 0.020 1 80 12 12 TYR HE2 H 6.630 0.020 1 81 12 12 TYR CA C 59.444 0.400 1 82 12 12 TYR CB C 37.313 0.400 1 83 12 12 TYR CD1 C 132.810 0.400 1 84 12 12 TYR CD2 C 132.723 0.400 1 85 12 12 TYR CE1 C 117.888 0.400 1 86 12 12 TYR CE2 C 117.880 0.400 1 87 13 13 ALA HA H 3.930 0.020 1 88 13 13 ALA HB H 1.285 0.020 1 89 13 13 ALA C C 178.114 0.400 1 90 13 13 ALA CA C 54.508 0.400 1 91 13 13 ALA CB C 18.342 0.400 1 92 14 14 SER H H 7.942 0.020 1 93 14 14 SER HA H 3.853 0.020 1 94 14 14 SER HB2 H 3.928 0.020 1 95 14 14 SER HB3 H 3.929 0.020 1 96 14 14 SER C C 175.560 0.400 1 97 14 14 SER CA C 61.969 0.400 1 98 14 14 SER CB C 62.167 0.400 1 99 14 14 SER N N 112.045 0.400 1 100 15 15 LYS H H 7.781 0.020 1 101 15 15 LYS HA H 4.034 0.020 1 102 15 15 LYS HB2 H 1.772 0.020 1 103 15 15 LYS HB3 H 1.771 0.020 1 104 15 15 LYS HG2 H 1.249 0.020 2 105 15 15 LYS HG3 H 1.287 0.020 2 106 15 15 LYS HD2 H 1.627 0.020 2 107 15 15 LYS HD3 H 1.406 0.020 2 108 15 15 LYS HE2 H 2.909 0.020 2 109 15 15 LYS HE3 H 2.867 0.020 2 110 15 15 LYS C C 177.271 0.400 1 111 15 15 LYS CA C 57.825 0.400 1 112 15 15 LYS CB C 31.766 0.400 1 113 15 15 LYS CG C 24.465 0.400 1 114 15 15 LYS CD C 27.856 0.400 1 115 15 15 LYS CE C 41.780 0.400 1 116 15 15 LYS N N 122.143 0.400 1 117 16 16 GLN H H 7.483 0.020 1 118 16 16 GLN HA H 3.993 0.020 1 119 16 16 GLN HB2 H 1.908 0.020 2 120 16 16 GLN HB3 H 2.022 0.020 2 121 16 16 GLN HG2 H 1.971 0.020 2 122 16 16 GLN HG3 H 1.969 0.020 2 123 16 16 GLN HE21 H 7.165 0.020 2 124 16 16 GLN HE22 H 7.029 0.020 2 125 16 16 GLN C C 177.705 0.400 1 126 16 16 GLN CA C 57.530 0.400 1 127 16 16 GLN CB C 27.875 0.400 1 128 16 16 GLN CG C 32.995 0.400 1 129 16 16 GLN N N 116.750 0.400 1 130 16 16 GLN NE2 N 114.268 0.400 1 131 17 17 ALA H H 7.804 0.020 1 132 17 17 ALA HA H 3.872 0.020 1 133 17 17 ALA HB H 1.302 0.020 1 134 17 17 ALA C C 180.234 0.400 1 135 17 17 ALA CA C 54.303 0.400 1 136 17 17 ALA CB C 18.260 0.400 1 137 17 17 ALA N N 117.946 0.400 1 138 18 18 THR H H 8.702 0.020 1 139 18 18 THR HA H 3.714 0.020 1 140 18 18 THR HB H 3.941 0.020 1 141 18 18 THR HG2 H 0.929 0.020 1 142 18 18 THR C C 178.803 0.400 1 143 18 18 THR CA C 65.511 0.400 1 144 18 18 THR CB C 67.691 0.400 1 145 18 18 THR CG2 C 21.218 0.400 1 146 18 18 THR N N 111.010 0.400 1 147 19 19 ASP H H 8.574 0.020 1 148 19 19 ASP HA H 4.516 0.020 1 149 19 19 ASP HB2 H 2.849 0.020 2 150 19 19 ASP HB3 H 2.601 0.020 2 151 19 19 ASP C C 177.526 0.400 1 152 19 19 ASP CA C 56.615 0.400 1 153 19 19 ASP CB C 39.346 0.400 1 154 19 19 ASP N N 125.501 0.400 1 155 20 20 MET H H 7.114 0.020 1 156 20 20 MET HA H 4.236 0.020 1 157 20 20 MET HB2 H 2.085 0.020 2 158 20 20 MET HB3 H 2.437 0.020 2 159 20 20 MET HG2 H 2.756 0.020 2 160 20 20 MET HG3 H 2.363 0.020 2 161 20 20 MET HE H 1.998 0.020 1 162 20 20 MET C C 175.483 0.400 1 163 20 20 MET CA C 55.490 0.400 1 164 20 20 MET CB C 34.196 0.400 1 165 20 20 MET CG C 32.457 0.400 1 166 20 20 MET CE C 17.553 0.400 1 167 20 20 MET N N 115.472 0.400 1 168 21 21 GLY H H 7.647 0.020 1 169 21 21 GLY HA2 H 4.292 0.020 2 170 21 21 GLY HA3 H 4.612 0.020 2 171 21 21 GLY C C 175.202 0.400 1 172 21 21 GLY CA C 44.962 0.400 1 173 21 21 GLY N N 104.917 0.400 1 174 22 22 ALA H H 7.884 0.020 1 175 22 22 ALA HA H 4.454 0.020 1 176 22 22 ALA HB H 1.191 0.020 1 177 22 22 ALA C C 177.245 0.400 1 178 22 22 ALA CA C 53.123 0.400 1 179 22 22 ALA CB C 20.671 0.400 1 180 22 22 ALA N N 122.431 0.400 1 181 23 23 ILE H H 7.980 0.020 1 182 23 23 ILE HA H 4.687 0.020 1 183 23 23 ILE HB H 1.791 0.020 1 184 23 23 ILE HG12 H 1.166 0.020 2 185 23 23 ILE HG13 H 1.183 0.020 2 186 23 23 ILE HG2 H 0.181 0.020 1 187 23 23 ILE HD1 H 0.409 0.020 1 188 23 23 ILE C C 173.797 0.400 1 189 23 23 ILE CA C 58.577 0.400 1 190 23 23 ILE CB C 40.971 0.400 1 191 23 23 ILE CG1 C 24.993 0.400 1 192 23 23 ILE CG2 C 14.756 0.400 1 193 23 23 ILE CD1 C 12.811 0.400 1 194 23 23 ILE N N 108.738 0.400 1 195 24 24 TYR H H 8.571 0.020 1 196 24 24 TYR HA H 6.088 0.020 1 197 24 24 TYR HB2 H 2.602 0.020 2 198 24 24 TYR HB3 H 2.892 0.020 2 199 24 24 TYR HD1 H 6.530 0.020 1 200 24 24 TYR HD2 H 6.530 0.020 1 201 24 24 TYR HE1 H 6.216 0.020 1 202 24 24 TYR HE2 H 6.216 0.020 1 203 24 24 TYR C C 177.501 0.400 1 204 24 24 TYR CA C 55.611 0.400 1 205 24 24 TYR CB C 40.802 0.400 1 206 24 24 TYR CD1 C 131.656 0.400 1 207 24 24 TYR CD2 C 131.788 0.400 1 208 24 24 TYR CE1 C 117.929 0.400 1 209 24 24 TYR CE2 C 117.910 0.400 1 210 24 24 TYR N N 118.199 0.400 1 211 25 25 VAL H H 9.476 0.020 1 212 25 25 VAL HA H 5.411 0.020 1 213 25 25 VAL HB H 2.022 0.020 1 214 25 25 VAL HG1 H 0.566 0.020 2 215 25 25 VAL HG2 H 0.777 0.020 2 216 25 25 VAL C C 175.457 0.400 1 217 25 25 VAL CA C 57.887 0.400 1 218 25 25 VAL CB C 36.097 0.400 1 219 25 25 VAL CG1 C 20.858 0.400 1 220 25 25 VAL CG2 C 18.638 0.400 1 221 25 25 VAL N N 111.505 0.400 1 222 26 26 ASN H H 8.701 0.020 1 223 26 26 ASN HA H 5.035 0.020 1 224 26 26 ASN HB2 H 2.683 0.020 2 225 26 26 ASN HB3 H 4.235 0.020 2 226 26 26 ASN HD21 H 7.299 0.020 2 227 26 26 ASN HD22 H 7.734 0.020 2 228 26 26 ASN CA C 50.322 0.400 1 229 26 26 ASN CB C 39.506 0.400 1 230 26 26 ASN N N 117.120 0.400 1 231 26 26 ASN ND2 N 109.312 0.400 1 232 27 27 SER HA H 3.994 0.020 1 233 27 27 SER HB2 H 4.114 0.020 2 234 27 27 SER HB3 H 4.121 0.020 2 235 27 27 SER C C 174.998 0.400 1 236 27 27 SER CA C 60.469 0.400 1 237 27 27 SER CB C 61.964 0.400 1 238 28 28 LYS H H 6.969 0.020 1 239 28 28 LYS HA H 4.154 0.020 1 240 28 28 LYS HB2 H 1.912 0.020 2 241 28 28 LYS HB3 H 1.951 0.020 2 242 28 28 LYS HG2 H 1.553 0.020 2 243 28 28 LYS HG3 H 1.401 0.020 2 244 28 28 LYS HD2 H 1.665 0.020 1 245 28 28 LYS HD3 H 1.666 0.020 1 246 28 28 LYS HE2 H 2.992 0.020 1 247 28 28 LYS HE3 H 2.993 0.020 1 248 28 28 LYS C C 176.249 0.400 1 249 28 28 LYS CA C 55.898 0.400 1 250 28 28 LYS CB C 31.528 0.400 1 251 28 28 LYS CG C 24.910 0.400 1 252 28 28 LYS CD C 28.638 0.400 1 253 28 28 LYS CE C 41.780 0.400 1 254 28 28 LYS N N 118.958 0.400 1 255 29 29 GLY H H 8.052 0.020 1 256 29 29 GLY HA2 H 3.900 0.020 2 257 29 29 GLY HA3 H 3.096 0.020 2 258 29 29 GLY C C 172.265 0.400 1 259 29 29 GLY CA C 45.135 0.400 1 260 29 29 GLY N N 104.096 0.400 1 261 30 30 ASP H H 7.923 0.020 1 262 30 30 ASP HA H 5.082 0.020 1 263 30 30 ASP HB2 H 2.387 0.020 2 264 30 30 ASP HB3 H 2.901 0.020 2 265 30 30 ASP C C 176.070 0.400 1 266 30 30 ASP CA C 53.132 0.400 1 267 30 30 ASP CB C 42.654 0.400 1 268 30 30 ASP N N 118.433 0.400 1 269 31 31 ARG H H 8.827 0.020 1 270 31 31 ARG HA H 4.997 0.020 1 271 31 31 ARG HB2 H 2.011 0.020 1 272 31 31 ARG HB3 H 2.011 0.020 1 273 31 31 ARG C C 176.249 0.400 1 274 31 31 ARG CA C 57.082 0.400 1 275 31 31 ARG CB C 30.868 0.400 1 276 31 31 ARG CG C 28.497 0.400 1 277 31 31 ARG N N 119.213 0.400 1 278 32 32 ILE H H 8.265 0.020 1 279 32 32 ILE HA H 4.383 0.020 1 280 32 32 ILE HB H 1.823 0.020 1 281 32 32 ILE HG12 H 0.743 0.020 2 282 32 32 ILE HG13 H 1.016 0.020 2 283 32 32 ILE HG2 H 0.853 0.020 1 284 32 32 ILE HD1 H 0.476 0.020 1 285 32 32 ILE C C 176.811 0.400 1 286 32 32 ILE CA C 61.117 0.400 1 287 32 32 ILE CB C 41.561 0.400 1 288 32 32 ILE CG1 C 24.066 0.400 1 289 32 32 ILE CG2 C 18.885 0.400 1 290 32 32 ILE CD1 C 12.796 0.400 1 291 32 32 ILE N N 110.295 0.400 1 292 33 33 VAL H H 7.430 0.020 1 293 33 33 VAL HA H 3.644 0.020 1 294 33 33 VAL HB H 1.687 0.020 1 295 33 33 VAL HG1 H 0.510 0.020 2 296 33 33 VAL HG2 H 0.795 0.020 2 297 33 33 VAL C C 170.860 0.400 1 298 33 33 VAL CA C 60.005 0.400 1 299 33 33 VAL CB C 34.279 0.400 1 300 33 33 VAL CG1 C 19.030 0.400 1 301 33 33 VAL CG2 C 20.979 0.400 1 302 33 33 VAL N N 121.891 0.400 1 303 34 34 ASN H H 7.927 0.020 1 304 34 34 ASN HA H 4.143 0.020 1 305 34 34 ASN HB2 H 3.259 0.020 2 306 34 34 ASN HB3 H 3.091 0.020 2 307 34 34 ASN HD21 H 7.466 0.020 2 308 34 34 ASN HD22 H 7.379 0.020 2 309 34 34 ASN C C 176.070 0.400 1 310 34 34 ASN CA C 52.634 0.400 1 311 34 34 ASN CB C 36.488 0.400 1 312 34 34 ASN N N 118.232 0.400 1 313 34 34 ASN ND2 N 109.468 0.400 1 314 35 35 GLU H H 10.112 0.020 1 315 35 35 GLU HA H 3.646 0.020 1 316 35 35 GLU HB2 H 1.817 0.020 2 317 35 35 GLU HB3 H 1.813 0.020 2 318 35 35 GLU HG2 H 1.970 0.020 1 319 35 35 GLU HG3 H 1.969 0.020 1 320 35 35 GLU C C 175.917 0.400 1 321 35 35 GLU CA C 60.183 0.400 1 322 35 35 GLU CB C 27.622 0.400 1 323 35 35 GLU CG C 36.864 0.400 1 324 35 35 GLU N N 128.672 0.400 1 325 36 36 SER H H 8.090 0.020 1 326 36 36 SER HA H 4.410 0.020 1 327 36 36 SER HB2 H 3.667 0.020 2 328 36 36 SER HB3 H 3.694 0.020 2 329 36 36 SER C C 173.823 0.400 1 330 36 36 SER CA C 57.594 0.400 1 331 36 36 SER CB C 63.537 0.400 1 332 36 36 SER N N 111.349 0.400 1 333 37 37 ASN H H 7.270 0.020 1 334 37 37 ASN HA H 4.800 0.020 1 335 37 37 ASN HB2 H 2.676 0.020 2 336 37 37 ASN HB3 H 3.020 0.020 2 337 37 37 ASN HD21 H 7.402 0.020 1 338 37 37 ASN CA C 51.540 0.400 1 339 37 37 ASN CB C 39.563 0.400 1 340 37 37 ASN N N 120.751 0.400 1 341 38 38 VAL HA H 4.123 0.020 1 342 38 38 VAL HB H 2.301 0.020 1 343 38 38 VAL HG1 H 0.955 0.020 2 344 38 38 VAL HG2 H 0.898 0.020 2 345 38 38 VAL CA C 62.124 0.400 1 346 38 38 VAL CB C 32.046 0.400 1 347 38 38 VAL CG1 C 21.108 0.400 1 348 38 38 VAL CG2 C 19.468 0.400 1 349 39 39 TYR HA H 4.221 0.020 1 350 39 39 TYR HB2 H 2.937 0.020 2 351 39 39 TYR HB3 H 3.164 0.020 2 352 39 39 TYR HD1 H 7.046 0.020 1 353 39 39 TYR HD2 H 7.046 0.020 1 354 39 39 TYR HE1 H 6.682 0.020 1 355 39 39 TYR HE2 H 6.682 0.020 1 356 39 39 TYR CA C 61.030 0.400 1 357 39 39 TYR CB C 38.061 0.400 1 358 39 39 TYR CD2 C 132.929 0.400 1 359 39 39 TYR CE1 C 117.805 0.400 1 360 39 39 TYR CE2 C 117.788 0.400 1 361 40 40 THR HA H 3.765 0.020 1 362 40 40 THR HB H 4.080 0.020 1 363 40 40 THR HG2 H 1.171 0.020 1 364 40 40 THR CA C 65.019 0.400 1 365 40 40 THR CB C 68.516 0.400 1 366 40 40 THR CG2 C 21.655 0.400 1 367 41 41 THR HA H 4.119 0.020 1 368 41 41 THR HB H 4.183 0.020 1 369 41 41 THR HG2 H 1.197 0.020 1 370 41 41 THR CA C 63.764 0.400 1 371 41 41 THR CB C 68.686 0.400 1 372 41 41 THR CG2 C 21.900 0.400 1 373 42 42 PHE HA H 4.080 0.020 1 374 42 42 PHE HB2 H 3.048 0.020 2 375 42 42 PHE HB3 H 2.759 0.020 2 376 42 42 PHE HD1 H 6.554 0.020 1 377 42 42 PHE HD2 H 6.554 0.020 1 378 42 42 PHE HE1 H 6.406 0.020 1 379 42 42 PHE HE2 H 6.406 0.020 1 380 42 42 PHE HZ H 6.360 0.020 1 381 42 42 PHE C C 175.943 0.400 1 382 42 42 PHE CA C 59.244 0.400 1 383 42 42 PHE CB C 37.632 0.400 1 384 42 42 PHE CD1 C 130.323 0.400 1 385 42 42 PHE CD2 C 130.561 0.400 1 386 42 42 PHE CE1 C 130.198 0.400 1 387 42 42 PHE CE2 C 130.292 0.400 1 388 42 42 PHE CZ C 128.773 0.400 1 389 43 43 ARG H H 8.064 0.020 1 390 43 43 ARG HA H 3.250 0.020 1 391 43 43 ARG HB2 H 1.354 0.020 2 392 43 43 ARG HB3 H 1.506 0.020 2 393 43 43 ARG HG2 H 1.246 0.020 2 394 43 43 ARG HG3 H 1.374 0.020 2 395 43 43 ARG HD2 H 3.046 0.020 2 396 43 43 ARG HD3 H 3.048 0.020 2 397 43 43 ARG C C 177.245 0.400 1 398 43 43 ARG CA C 58.996 0.400 1 399 43 43 ARG CB C 29.025 0.400 1 400 43 43 ARG CG C 27.310 0.400 1 401 43 43 ARG CD C 43.100 0.400 1 402 43 43 ARG N N 118.653 0.400 1 403 44 44 ASN H H 7.681 0.020 1 404 44 44 ASN HA H 4.237 0.020 1 405 44 44 ASN HB2 H 2.663 0.020 2 406 44 44 ASN HB3 H 2.726 0.020 2 407 44 44 ASN HD21 H 7.603 0.020 2 408 44 44 ASN HD22 H 6.945 0.020 2 409 44 44 ASN C C 173.695 0.400 1 410 44 44 ASN CA C 55.330 0.400 1 411 44 44 ASN CB C 37.611 0.400 1 412 44 44 ASN N N 114.501 0.400 1 413 44 44 ASN ND2 N 112.000 0.400 1 414 45 45 ALA H H 7.413 0.020 1 415 45 45 ALA HA H 4.039 0.020 1 416 45 45 ALA HB H 1.191 0.020 1 417 45 45 ALA C C 179.978 0.400 1 418 45 45 ALA CA C 54.488 0.400 1 419 45 45 ALA CB C 17.733 0.400 1 420 45 45 ALA N N 121.781 0.400 1 421 46 46 ILE H H 7.798 0.020 1 422 46 46 ILE HA H 3.182 0.020 1 423 46 46 ILE HB H 1.381 0.020 1 424 46 46 ILE HG12 H 0.166 0.020 2 425 46 46 ILE HG13 H 0.910 0.020 2 426 46 46 ILE HG2 H 0.365 0.020 1 427 46 46 ILE HD1 H -0.060 0.020 1 428 46 46 ILE C C 178.650 0.400 1 429 46 46 ILE CA C 65.616 0.400 1 430 46 46 ILE CB C 36.694 0.400 1 431 46 46 ILE CG1 C 28.192 0.400 1 432 46 46 ILE CG2 C 17.360 0.400 1 433 46 46 ILE CD1 C 12.249 0.400 1 434 46 46 ILE N N 119.747 0.400 1 435 47 47 LEU H H 7.653 0.020 1 436 47 47 LEU HA H 3.799 0.020 1 437 47 47 LEU HB2 H 1.714 0.020 2 438 47 47 LEU HB3 H 1.411 0.020 2 439 47 47 LEU HG H 1.595 0.020 1 440 47 47 LEU HD1 H 0.736 0.020 2 441 47 47 LEU HD2 H 0.690 0.020 2 442 47 47 LEU C C 177.501 0.400 1 443 47 47 LEU CA C 56.680 0.400 1 444 47 47 LEU CB C 41.413 0.400 1 445 47 47 LEU CG C 26.547 0.400 1 446 47 47 LEU CD1 C 24.882 0.400 1 447 47 47 LEU CD2 C 23.161 0.400 1 448 47 47 LEU N N 117.524 0.400 1 449 48 48 LYS H H 7.059 0.020 1 450 48 48 LYS HA H 4.144 0.020 1 451 48 48 LYS HB2 H 1.829 0.020 2 452 48 48 LYS HB3 H 1.883 0.020 2 453 48 48 LYS HG2 H 1.403 0.020 2 454 48 48 LYS HG3 H 1.456 0.020 2 455 48 48 LYS HD2 H 1.624 0.020 2 456 48 48 LYS HD3 H 1.626 0.020 2 457 48 48 LYS HE2 H 2.912 0.020 1 458 48 48 LYS HE3 H 2.912 0.020 1 459 48 48 LYS C C 177.347 0.400 1 460 48 48 LYS CA C 56.278 0.400 1 461 48 48 LYS CB C 32.472 0.400 1 462 48 48 LYS CG C 24.910 0.400 1 463 48 48 LYS CD C 28.780 0.400 1 464 48 48 LYS CE C 41.780 0.400 1 465 48 48 LYS N N 115.478 0.400 1 466 49 49 GLN H H 7.853 0.020 1 467 49 49 GLN HA H 4.350 0.020 1 468 49 49 GLN HB2 H 2.701 0.020 2 469 49 49 GLN HB3 H 2.144 0.020 2 470 49 49 GLN HG2 H 2.481 0.020 2 471 49 49 GLN HG3 H 2.941 0.020 2 472 49 49 GLN HE21 H 6.957 0.020 2 473 49 49 GLN HE22 H 7.805 0.020 2 474 49 49 GLN CA C 53.688 0.400 1 475 49 49 GLN CB C 28.100 0.400 1 476 49 49 GLN CG C 32.264 0.400 1 477 49 49 GLN N N 118.165 0.400 1 478 49 49 GLN NE2 N 112.650 0.400 1 479 50 50 ALA H H 8.553 0.020 1 480 50 50 ALA HA H 4.031 0.020 1 481 50 50 ALA HB H 1.423 0.020 1 482 50 50 ALA CA C 55.014 0.400 1 483 50 50 ALA CB C 17.827 0.400 1 484 50 50 ALA N N 111.682 0.400 1 485 51 51 ASP HA H 4.535 0.020 1 486 51 51 ASP HB2 H 2.588 0.020 2 487 51 51 ASP HB3 H 2.928 0.020 2 488 51 51 ASP CA C 51.733 0.400 1 489 51 51 ASP CB C 39.155 0.400 1 490 52 52 LYS HA H 3.900 0.020 1 491 52 52 LYS HB2 H 1.609 0.020 1 492 52 52 LYS HB3 H 1.610 0.020 1 493 52 52 LYS HG2 H 1.240 0.020 2 494 52 52 LYS HG3 H 1.384 0.020 2 495 52 52 LYS HD2 H 1.445 0.020 2 496 52 52 LYS HD3 H 1.775 0.020 2 497 52 52 LYS HE2 H 2.940 0.020 2 498 52 52 LYS HE3 H 3.025 0.020 2 499 52 52 LYS CA C 56.108 0.400 1 500 52 52 LYS CB C 28.780 0.400 1 501 52 52 LYS CG C 24.389 0.400 1 502 52 52 LYS CD C 28.764 0.400 1 503 52 52 LYS CE C 42.436 0.400 1 504 53 53 VAL HA H 4.605 0.020 1 505 53 53 VAL HB H 1.706 0.020 1 506 53 53 VAL HG1 H 0.628 0.020 2 507 53 53 VAL HG2 H 0.504 0.020 2 508 53 53 VAL C C 171.958 0.400 1 509 53 53 VAL CA C 59.061 0.400 1 510 53 53 VAL CB C 34.772 0.400 1 511 53 53 VAL CG1 C 19.431 0.400 1 512 53 53 VAL CG2 C 21.134 0.400 1 513 54 54 ALA H H 8.002 0.020 1 514 54 54 ALA HA H 4.634 0.020 1 515 54 54 ALA HB H 1.074 0.020 1 516 54 54 ALA C C 173.261 0.400 1 517 54 54 ALA CA C 50.410 0.400 1 518 54 54 ALA CB C 22.525 0.400 1 519 54 54 ALA N N 124.235 0.400 1 520 55 55 TYR H H 9.385 0.020 1 521 55 55 TYR HA H 5.035 0.020 1 522 55 55 TYR HB2 H 2.436 0.020 1 523 55 55 TYR HB3 H 2.437 0.020 1 524 55 55 TYR HD1 H 6.646 0.020 1 525 55 55 TYR HD2 H 6.646 0.020 1 526 55 55 TYR HE1 H 6.461 0.020 1 527 55 55 TYR HE2 H 6.461 0.020 1 528 55 55 TYR C C 174.385 0.400 1 529 55 55 TYR CA C 56.851 0.400 1 530 55 55 TYR CB C 40.290 0.400 1 531 55 55 TYR CD1 C 132.260 0.400 1 532 55 55 TYR CD2 C 132.073 0.400 1 533 55 55 TYR CE1 C 117.910 0.400 1 534 55 55 TYR CE2 C 117.756 0.400 1 535 55 55 TYR N N 115.629 0.400 1 536 56 56 LEU H H 9.132 0.020 1 537 56 56 LEU HA H 4.791 0.020 1 538 56 56 LEU HB2 H 1.237 0.020 2 539 56 56 LEU HB3 H 1.742 0.020 2 540 56 56 LEU HG H 1.196 0.020 1 541 56 56 LEU HD1 H 0.297 0.020 2 542 56 56 LEU HD2 H 0.621 0.020 2 543 56 56 LEU C C 176.970 0.400 1 544 56 56 LEU CA C 53.453 0.400 1 545 56 56 LEU CB C 43.924 0.400 1 546 56 56 LEU CG C 26.770 0.400 1 547 56 56 LEU CD1 C 22.535 0.400 1 548 56 56 LEU CD2 C 26.249 0.400 1 549 56 56 LEU N N 127.109 0.400 1 550 57 57 VAL H H 9.187 0.020 1 551 57 57 VAL HA H 4.693 0.020 1 552 57 57 VAL HB H 1.920 0.020 1 553 57 57 VAL HG1 H 0.614 0.020 2 554 57 57 VAL HG2 H 0.694 0.020 2 555 57 57 VAL C C 174.308 0.400 1 556 57 57 VAL CA C 61.767 0.400 1 557 57 57 VAL CB C 32.966 0.400 1 558 57 57 VAL CG1 C 20.343 0.400 1 559 57 57 VAL CG2 C 20.515 0.400 1 560 57 57 VAL N N 126.901 0.400 1 561 58 58 MET H H 9.284 0.020 1 562 58 58 MET HA H 5.675 0.020 1 563 58 58 MET HB2 H 2.310 0.020 2 564 58 58 MET HB3 H 1.984 0.020 2 565 58 58 MET HG2 H 2.883 0.020 2 566 58 58 MET HG3 H 2.676 0.020 2 567 58 58 MET HE H 1.902 0.020 1 568 58 58 MET C C 173.516 0.400 1 569 58 58 MET CA C 53.614 0.400 1 570 58 58 MET CB C 39.003 0.400 1 571 58 58 MET CG C 31.630 0.400 1 572 58 58 MET CE C 17.830 0.400 1 573 58 58 MET N N 122.957 0.400 1 574 59 59 ASP H H 8.339 0.020 1 575 59 59 ASP HA H 4.870 0.020 1 576 59 59 ASP HB2 H 3.573 0.020 2 577 59 59 ASP HB3 H 2.744 0.020 2 578 59 59 ASP C C 175.866 0.400 1 579 59 59 ASP CA C 51.513 0.400 1 580 59 59 ASP CB C 41.911 0.400 1 581 59 59 ASP N N 118.510 0.400 1 582 60 60 GLU H H 8.350 0.020 1 583 60 60 GLU HA H 4.169 0.020 1 584 60 60 GLU HB2 H 2.417 0.020 2 585 60 60 GLU HB3 H 2.075 0.020 2 586 60 60 GLU HG2 H 2.296 0.020 2 587 60 60 GLU HG3 H 2.350 0.020 2 588 60 60 GLU C C 176.709 0.400 1 589 60 60 GLU CA C 60.022 0.400 1 590 60 60 GLU CB C 30.340 0.400 1 591 60 60 GLU CG C 37.167 0.400 1 592 60 60 GLU N N 121.140 0.400 1 593 61 61 ARG H H 8.550 0.020 1 594 61 61 ARG HA H 3.891 0.020 1 595 61 61 ARG HB2 H 1.982 0.020 1 596 61 61 ARG HB3 H 1.982 0.020 1 597 61 61 ARG HG2 H 1.142 0.020 2 598 61 61 ARG HG3 H 1.510 0.020 2 599 61 61 ARG HD2 H 3.247 0.020 2 600 61 61 ARG HD3 H 2.951 0.020 2 601 61 61 ARG C C 177.731 0.400 1 602 61 61 ARG CA C 58.076 0.400 1 603 61 61 ARG CB C 30.202 0.400 1 604 61 61 ARG CG C 26.612 0.400 1 605 61 61 ARG CD C 43.100 0.400 1 606 61 61 ARG N N 121.750 0.400 1 607 62 62 THR H H 8.257 0.020 1 608 62 62 THR HA H 3.950 0.020 1 609 62 62 THR HB H 4.259 0.020 1 610 62 62 THR HG1 H 5.724 0.020 1 611 62 62 THR HG2 H 1.410 0.020 1 612 62 62 THR C C 175.585 0.400 1 613 62 62 THR CA C 65.956 0.400 1 614 62 62 THR CB C 67.568 0.400 1 615 62 62 THR CG2 C 22.512 0.400 1 616 62 62 THR N N 117.082 0.400 1 617 63 63 TRP H H 8.600 0.020 1 618 63 63 TRP HA H 4.248 0.020 1 619 63 63 TRP HB2 H 2.512 0.020 2 620 63 63 TRP HB3 H 2.628 0.020 2 621 63 63 TRP HD1 H 6.283 0.020 1 622 63 63 TRP HE1 H 9.558 0.020 1 623 63 63 TRP HE3 H 7.373 0.020 1 624 63 63 TRP HZ2 H 7.478 0.020 1 625 63 63 TRP HZ3 H 6.675 0.020 1 626 63 63 TRP HH2 H 7.013 0.020 1 627 63 63 TRP C C 176.100 0.400 1 628 63 63 TRP CA C 59.617 0.400 1 629 63 63 TRP CB C 29.452 0.400 1 630 63 63 TRP CD1 C 126.108 0.400 1 631 63 63 TRP CE3 C 121.005 0.400 1 632 63 63 TRP CZ2 C 112.983 0.400 1 633 63 63 TRP CZ3 C 119.556 0.400 1 634 63 63 TRP CH2 C 121.867 0.400 1 635 63 63 TRP N N 123.804 0.400 1 636 63 63 TRP NE1 N 125.521 0.400 1 637 64 64 LYS H H 8.567 0.020 1 638 64 64 LYS HA H 3.384 0.020 1 639 64 64 LYS HB2 H 1.702 0.020 1 640 64 64 LYS HB3 H 1.703 0.020 1 641 64 64 LYS HG2 H 1.610 0.020 2 642 64 64 LYS HG3 H 1.338 0.020 2 643 64 64 LYS HD2 H 1.613 0.020 2 644 64 64 LYS HD3 H 1.559 0.020 2 645 64 64 LYS HE2 H 2.880 0.020 1 646 64 64 LYS HE3 H 2.880 0.020 1 647 64 64 LYS C C 178.778 0.400 1 648 64 64 LYS CA C 59.975 0.400 1 649 64 64 LYS CB C 31.827 0.400 1 650 64 64 LYS CG C 25.571 0.400 1 651 64 64 LYS CD C 28.780 0.400 1 652 64 64 LYS CE C 41.780 0.400 1 653 64 64 LYS N N 115.112 0.400 1 654 65 65 LYS H H 6.766 0.020 1 655 65 65 LYS HA H 4.136 0.020 1 656 65 65 LYS HB2 H 1.918 0.020 2 657 65 65 LYS HB3 H 1.706 0.020 2 658 65 65 LYS HG2 H 1.481 0.020 2 659 65 65 LYS HG3 H 1.479 0.020 2 660 65 65 LYS HD2 H 1.657 0.020 1 661 65 65 LYS HD3 H 1.658 0.020 1 662 65 65 LYS HE2 H 2.916 0.020 2 663 65 65 LYS HE3 H 2.911 0.020 2 664 65 65 LYS C C 179.135 0.400 1 665 65 65 LYS CA C 57.213 0.400 1 666 65 65 LYS CB C 31.553 0.400 1 667 65 65 LYS CG C 24.663 0.400 1 668 65 65 LYS CD C 27.938 0.400 1 669 65 65 LYS CE C 41.780 0.400 1 670 65 65 LYS N N 115.040 0.400 1 671 66 66 VAL H H 7.895 0.020 1 672 66 66 VAL HA H 3.171 0.020 1 673 66 66 VAL HB H 1.940 0.020 1 674 66 66 VAL HG1 H 0.623 0.020 2 675 66 66 VAL HG2 H 0.871 0.020 2 676 66 66 VAL C C 176.300 0.400 1 677 66 66 VAL CA C 66.814 0.400 1 678 66 66 VAL CB C 30.994 0.400 1 679 66 66 VAL CG1 C 20.999 0.400 1 680 66 66 VAL CG2 C 22.774 0.400 1 681 66 66 VAL N N 122.798 0.400 1 682 67 67 TYR H H 9.034 0.020 1 683 67 67 TYR HA H 3.130 0.020 1 684 67 67 TYR HB2 H 2.474 0.020 2 685 67 67 TYR HB3 H 1.456 0.020 2 686 67 67 TYR HD1 H 7.012 0.020 1 687 67 67 TYR HD2 H 7.012 0.020 1 688 67 67 TYR HE1 H 6.760 0.020 1 689 67 67 TYR HE2 H 6.760 0.020 1 690 67 67 TYR C C 176.275 0.400 1 691 67 67 TYR CA C 61.843 0.400 1 692 67 67 TYR CB C 36.858 0.400 1 693 67 67 TYR CD1 C 132.821 0.400 1 694 67 67 TYR CD2 C 132.872 0.400 1 695 67 67 TYR CE1 C 117.691 0.400 1 696 67 67 TYR CE2 C 117.747 0.400 1 697 67 67 TYR N N 121.047 0.400 1 698 68 68 ASP H H 7.314 0.020 1 699 68 68 ASP HA H 4.154 0.020 1 700 68 68 ASP HB2 H 2.618 0.020 2 701 68 68 ASP HB3 H 2.513 0.020 2 702 68 68 ASP C C 178.982 0.400 1 703 68 68 ASP CA C 56.772 0.400 1 704 68 68 ASP CB C 39.574 0.400 1 705 68 68 ASP N N 115.861 0.400 1 706 69 69 LEU H H 7.387 0.020 1 707 69 69 LEU HA H 4.141 0.020 1 708 69 69 LEU HB2 H 1.932 0.020 2 709 69 69 LEU HB3 H 1.654 0.020 2 710 69 69 LEU HG H 1.760 0.020 1 711 69 69 LEU HD1 H 0.889 0.020 2 712 69 69 LEU HD2 H 0.856 0.020 2 713 69 69 LEU C C 179.161 0.400 1 714 69 69 LEU CA C 57.247 0.400 1 715 69 69 LEU CB C 41.775 0.400 1 716 69 69 LEU CG C 26.770 0.400 1 717 69 69 LEU CD1 C 25.899 0.400 1 718 69 69 LEU CD2 C 23.897 0.400 1 719 69 69 LEU N N 119.917 0.400 1 720 70 70 LEU H H 8.409 0.020 1 721 70 70 LEU HA H 4.233 0.020 1 722 70 70 LEU HB2 H 1.978 0.020 2 723 70 70 LEU HB3 H 1.147 0.020 2 724 70 70 LEU HG H 1.866 0.020 1 725 70 70 LEU HD1 H 0.701 0.020 2 726 70 70 LEU HD2 H 0.749 0.020 2 727 70 70 LEU C C 174.027 0.400 1 728 70 70 LEU CA C 58.201 0.400 1 729 70 70 LEU CB C 40.938 0.400 1 730 70 70 LEU CG C 25.940 0.400 1 731 70 70 LEU CD1 C 25.647 0.400 1 732 70 70 LEU CD2 C 22.475 0.400 1 733 70 70 LEU N N 121.376 0.400 1 734 71 71 ILE H H 7.808 0.020 1 735 71 71 ILE HA H 4.539 0.020 1 736 71 71 ILE HB H 1.980 0.020 1 737 71 71 ILE HG12 H 1.042 0.020 1 738 71 71 ILE HG13 H 1.042 0.020 1 739 71 71 ILE HG2 H 0.640 0.020 1 740 71 71 ILE HD1 H 0.514 0.020 1 741 71 71 ILE C C 179.774 0.400 1 742 71 71 ILE CA C 60.988 0.400 1 743 71 71 ILE CB C 36.257 0.400 1 744 71 71 ILE CG1 C 26.249 0.400 1 745 71 71 ILE CG2 C 16.679 0.400 1 746 71 71 ILE CD1 C 10.553 0.400 1 747 71 71 ILE N N 116.958 0.400 1 748 72 72 LEU H H 7.591 0.020 1 749 72 72 LEU HA H 4.029 0.020 1 750 72 72 LEU HB2 H 1.681 0.020 2 751 72 72 LEU HB3 H 1.522 0.020 2 752 72 72 LEU HG H 1.356 0.020 1 753 72 72 LEU HD1 H 0.785 0.020 2 754 72 72 LEU HD2 H 0.724 0.020 2 755 72 72 LEU C C 177.756 0.400 1 756 72 72 LEU CA C 56.962 0.400 1 757 72 72 LEU CB C 41.868 0.400 1 758 72 72 LEU CG C 26.161 0.400 1 759 72 72 LEU CD1 C 23.859 0.400 1 760 72 72 LEU CD2 C 23.952 0.400 1 761 72 72 LEU N N 122.292 0.400 1 762 73 73 HIS H H 7.726 0.020 1 763 73 73 HIS HA H 4.486 0.020 1 764 73 73 HIS HB2 H 2.900 0.020 2 765 73 73 HIS HB3 H 3.241 0.020 2 766 73 73 HIS HD2 H 6.755 0.020 1 767 73 73 HIS HE1 H 8.049 0.020 1 768 73 73 HIS CA C 61.031 0.400 1 769 73 73 HIS CB C 30.176 0.400 1 770 73 73 HIS CD2 C 119.101 0.400 1 771 73 73 HIS CE1 C 137.787 0.400 1 772 73 73 HIS N N 115.557 0.400 1 773 74 74 ASP HA H 4.359 0.020 1 774 74 74 ASP HB2 H 2.620 0.020 2 775 74 74 ASP HB3 H 2.343 0.020 2 776 74 74 ASP C C 175.611 0.400 1 777 74 74 ASP CA C 56.793 0.400 1 778 74 74 ASP CB C 40.633 0.400 1 779 75 75 PHE H H 7.950 0.020 1 780 75 75 PHE HA H 5.023 0.020 1 781 75 75 PHE HB2 H 2.437 0.020 2 782 75 75 PHE HB3 H 2.947 0.020 2 783 75 75 PHE HD1 H 7.407 0.020 1 784 75 75 PHE HD2 H 7.407 0.020 1 785 75 75 PHE HE1 H 7.365 0.020 1 786 75 75 PHE HE2 H 7.365 0.020 1 787 75 75 PHE HZ H 7.267 0.020 1 788 75 75 PHE C C 175.490 0.400 1 789 75 75 PHE CA C 57.379 0.400 1 790 75 75 PHE CB C 40.786 0.400 1 791 75 75 PHE CD1 C 132.178 0.400 1 792 75 75 PHE CD2 C 132.274 0.400 1 793 75 75 PHE CE1 C 130.795 0.400 1 794 75 75 PHE CE2 C 130.994 0.400 1 795 75 75 PHE CZ C 129.532 0.400 1 796 75 75 PHE N N 117.461 0.400 1 797 76 76 THR H H 8.971 0.020 1 798 76 76 THR HA H 4.809 0.020 1 799 76 76 THR HB H 4.747 0.020 1 800 76 76 THR HG1 H 5.749 0.020 1 801 76 76 THR HG2 H 1.292 0.020 1 802 76 76 THR CA C 58.731 0.400 1 803 76 76 THR CB C 68.431 0.400 1 804 76 76 THR CG2 C 21.598 0.400 1 805 76 76 THR N N 112.065 0.400 1 806 77 77 PRO HA H 4.147 0.020 1 807 77 77 PRO HB2 H 1.950 0.020 2 808 77 77 PRO HB3 H 2.452 0.020 2 809 77 77 PRO HG2 H 2.034 0.020 2 810 77 77 PRO HG3 H 2.272 0.020 2 811 77 77 PRO HD2 H 3.952 0.020 2 812 77 77 PRO HD3 H 3.855 0.020 2 813 77 77 PRO C C 179.570 0.400 1 814 77 77 PRO CA C 65.791 0.400 1 815 77 77 PRO CB C 31.878 0.400 1 816 77 77 PRO CG C 27.835 0.400 1 817 77 77 PRO CD C 50.173 0.400 1 818 78 78 GLU H H 8.677 0.020 1 819 78 78 GLU HA H 3.925 0.020 1 820 78 78 GLU HB2 H 1.901 0.020 2 821 78 78 GLU HB3 H 2.037 0.020 2 822 78 78 GLU HG2 H 2.422 0.020 2 823 78 78 GLU HG3 H 2.235 0.020 2 824 78 78 GLU C C 179.135 0.400 1 825 78 78 GLU CA C 59.997 0.400 1 826 78 78 GLU CB C 28.491 0.400 1 827 78 78 GLU CG C 36.694 0.400 1 828 78 78 GLU N N 116.987 0.400 1 829 79 79 GLU H H 8.022 0.020 1 830 79 79 GLU HA H 3.785 0.020 1 831 79 79 GLU HB2 H 1.802 0.020 2 832 79 79 GLU HB3 H 2.398 0.020 2 833 79 79 GLU HG2 H 2.307 0.020 2 834 79 79 GLU HG3 H 2.232 0.020 2 835 79 79 GLU C C 178.344 0.400 1 836 79 79 GLU CA C 58.708 0.400 1 837 79 79 GLU CB C 29.730 0.400 1 838 79 79 GLU CG C 37.167 0.400 1 839 79 79 GLU N N 122.528 0.400 1 840 80 80 ILE H H 7.932 0.020 1 841 80 80 ILE HA H 3.073 0.020 1 842 80 80 ILE HB H 1.939 0.020 1 843 80 80 ILE HG12 H 0.833 0.020 2 844 80 80 ILE HG13 H 1.565 0.020 2 845 80 80 ILE HG2 H 1.385 0.020 1 846 80 80 ILE HD1 H 0.419 0.020 1 847 80 80 ILE C C 177.628 0.400 1 848 80 80 ILE CA C 64.109 0.400 1 849 80 80 ILE CB C 37.100 0.400 1 850 80 80 ILE CG1 C 28.491 0.400 1 851 80 80 ILE CG2 C 17.827 0.400 1 852 80 80 ILE CD1 C 13.944 0.400 1 853 80 80 ILE N N 118.409 0.400 1 854 81 81 LYS H H 7.935 0.020 1 855 81 81 LYS HA H 4.156 0.020 1 856 81 81 LYS HB2 H 1.903 0.020 1 857 81 81 LYS HB3 H 1.903 0.020 1 858 81 81 LYS HG2 H 1.552 0.020 2 859 81 81 LYS HG3 H 1.420 0.020 2 860 81 81 LYS HD2 H 1.640 0.020 1 861 81 81 LYS HD3 H 1.640 0.020 1 862 81 81 LYS HE2 H 2.917 0.020 2 863 81 81 LYS HE3 H 2.921 0.020 2 864 81 81 LYS C C 180.029 0.400 1 865 81 81 LYS CA C 59.792 0.400 1 866 81 81 LYS CB C 32.075 0.400 1 867 81 81 LYS CG C 24.910 0.400 1 868 81 81 LYS CD C 29.258 0.400 1 869 81 81 LYS CE C 41.780 0.400 1 870 81 81 LYS N N 117.320 0.400 1 871 82 82 SER H H 7.731 0.020 1 872 82 82 SER HA H 4.325 0.020 1 873 82 82 SER HB2 H 3.955 0.020 1 874 82 82 SER HB3 H 3.955 0.020 1 875 82 82 SER C C 176.454 0.400 1 876 82 82 SER CA C 61.157 0.400 1 877 82 82 SER CB C 62.837 0.400 1 878 82 82 SER N N 115.339 0.400 1 879 83 83 PHE H H 7.621 0.020 1 880 83 83 PHE HA H 4.523 0.020 1 881 83 83 PHE HB2 H 2.626 0.020 2 882 83 83 PHE HB3 H 2.288 0.020 2 883 83 83 PHE HD1 H 6.581 0.020 1 884 83 83 PHE HD2 H 6.581 0.020 1 885 83 83 PHE HE1 H 6.747 0.020 1 886 83 83 PHE HE2 H 6.747 0.020 1 887 83 83 PHE HZ H 6.745 0.020 1 888 83 83 PHE C C 177.015 0.400 1 889 83 83 PHE CA C 57.674 0.400 1 890 83 83 PHE CB C 36.925 0.400 1 891 83 83 PHE CD1 C 130.866 0.400 1 892 83 83 PHE CD2 C 130.496 0.400 1 893 83 83 PHE CE1 C 130.600 0.400 1 894 83 83 PHE CE2 C 130.284 0.400 1 895 83 83 PHE CZ C 129.039 0.400 1 896 83 83 PHE N N 122.026 0.400 1 897 84 84 PHE H H 7.754 0.020 1 898 84 84 PHE HA H 5.008 0.020 1 899 84 84 PHE HB2 H 3.322 0.020 2 900 84 84 PHE HB3 H 3.159 0.020 2 901 84 84 PHE HD1 H 7.469 0.020 1 902 84 84 PHE HD2 H 7.469 0.020 1 903 84 84 PHE HE1 H 7.085 0.020 1 904 84 84 PHE HE2 H 7.085 0.020 1 905 84 84 PHE HZ H 6.439 0.020 1 906 84 84 PHE C C 177.245 0.400 1 907 84 84 PHE CA C 57.920 0.400 1 908 84 84 PHE CB C 39.531 0.400 1 909 84 84 PHE CD1 C 133.249 0.400 1 910 84 84 PHE CD2 C 133.139 0.400 1 911 84 84 PHE CE1 C 130.686 0.400 1 912 84 84 PHE CE2 C 130.600 0.400 1 913 84 84 PHE CZ C 129.045 0.400 1 914 84 84 PHE N N 114.265 0.400 1 915 85 85 GLU H H 7.679 0.020 1 916 85 85 GLU HA H 4.331 0.020 1 917 85 85 GLU HB2 H 2.133 0.020 2 918 85 85 GLU HB3 H 2.062 0.020 2 919 85 85 GLU HG2 H 2.254 0.020 2 920 85 85 GLU HG3 H 2.437 0.020 2 921 85 85 GLU CA C 56.291 0.400 1 922 85 85 GLU CB C 30.779 0.400 1 923 85 85 GLU CG C 36.230 0.400 1 924 85 85 GLU N N 120.620 0.400 1 925 86 86 ASN HA H 4.738 0.020 1 926 86 86 ASN HB2 H 2.756 0.020 2 927 86 86 ASN HB3 H 2.919 0.020 2 928 86 86 ASN HD21 H 7.662 0.020 2 929 86 86 ASN HD22 H 6.834 0.020 2 930 86 86 ASN CA C 52.827 0.400 1 931 86 86 ASN CB C 38.061 0.400 1 932 86 86 ASN ND2 N 111.532 0.400 1 933 87 87 LYS H H 8.660 0.020 1 934 87 87 LYS HA H 4.482 0.020 1 935 87 87 LYS HB2 H 1.702 0.020 2 936 87 87 LYS HB3 H 1.942 0.020 2 937 87 87 LYS HG2 H 1.352 0.020 2 938 87 87 LYS HG3 H 1.424 0.020 2 939 87 87 LYS HD2 H 1.666 0.020 1 940 87 87 LYS HE2 H 2.967 0.020 1 941 87 87 LYS CA C 55.561 0.400 1 942 87 87 LYS CB C 31.754 0.400 1 943 87 87 LYS CG C 24.389 0.400 1 944 87 87 LYS CD C 28.218 0.400 1 945 87 87 LYS CE C 41.889 0.400 1 946 87 87 LYS N N 124.760 0.400 1 947 88 88 GLY HA2 H 4.127 0.020 2 948 88 88 GLY HA3 H 3.719 0.020 2 949 88 88 GLY C C 174.040 0.400 1 950 88 88 GLY CA C 45.171 0.400 1 951 89 89 LYS H H 7.616 0.020 1 952 89 89 LYS HA H 4.413 0.020 1 953 89 89 LYS HB2 H 1.839 0.020 2 954 89 89 LYS HB3 H 1.685 0.020 2 955 89 89 LYS HG2 H 1.311 0.020 2 956 89 89 LYS HG3 H 1.308 0.020 2 957 89 89 LYS HD2 H 1.610 0.020 1 958 89 89 LYS HD3 H 1.610 0.020 1 959 89 89 LYS HE2 H 2.945 0.020 1 960 89 89 LYS HE3 H 2.945 0.020 1 961 89 89 LYS C C 175.023 0.400 1 962 89 89 LYS CA C 55.115 0.400 1 963 89 89 LYS CB C 33.416 0.400 1 964 89 89 LYS CG C 23.969 0.400 1 965 89 89 LYS CD C 28.780 0.400 1 966 89 89 LYS CE C 41.780 0.400 1 967 89 89 LYS N N 119.812 0.400 1 968 90 90 ARG H H 8.237 0.020 1 969 90 90 ARG HA H 4.482 0.020 1 970 90 90 ARG HB2 H 1.727 0.020 2 971 90 90 ARG HB3 H 1.797 0.020 2 972 90 90 ARG HG2 H 1.652 0.020 2 973 90 90 ARG HG3 H 1.650 0.020 2 974 90 90 ARG HD2 H 3.179 0.020 1 975 90 90 ARG HD3 H 3.179 0.020 1 976 90 90 ARG CA C 54.200 0.400 1 977 90 90 ARG CB C 30.034 0.400 1 978 90 90 ARG CG C 26.800 0.400 1 979 90 90 ARG CD C 43.100 0.400 1 980 90 90 ARG N N 121.563 0.400 1 981 91 91 PRO HA H 4.497 0.020 1 982 91 91 PRO HB2 H 2.031 0.020 2 983 91 91 PRO HB3 H 2.169 0.020 2 984 91 91 PRO HG2 H 2.008 0.020 2 985 91 91 PRO HG3 H 1.830 0.020 2 986 91 91 PRO HD2 H 3.802 0.020 2 987 91 91 PRO HD3 H 3.625 0.020 2 988 91 91 PRO C C 177.654 0.400 1 989 91 91 PRO CA C 62.671 0.400 1 990 91 91 PRO CB C 32.046 0.400 1 991 91 91 PRO CG C 27.280 0.400 1 992 91 91 PRO CD C 50.718 0.400 1 993 92 92 VAL H H 8.325 0.020 1 994 92 92 VAL HA H 4.024 0.020 1 995 92 92 VAL HB H 2.111 0.020 1 996 92 92 VAL HG1 H 0.933 0.020 2 997 92 92 VAL HG2 H 0.978 0.020 2 998 92 92 VAL CA C 63.218 0.400 1 999 92 92 VAL CB C 32.593 0.400 1 1000 92 92 VAL CG1 C 21.655 0.400 1 1001 92 92 VAL CG2 C 21.053 0.400 1 1002 92 92 VAL N N 117.757 0.400 1 1003 93 93 PHE H H 7.399 0.020 1 1004 93 93 PHE HA H 5.102 0.020 1 1005 93 93 PHE HB2 H 1.731 0.020 2 1006 93 93 PHE HB3 H 1.420 0.020 2 1007 93 93 PHE HD1 H 6.945 0.020 1 1008 93 93 PHE HD2 H 6.945 0.020 1 1009 93 93 PHE HE1 H 6.964 0.020 1 1010 93 93 PHE HE2 H 6.964 0.020 1 1011 93 93 PHE HZ H 6.674 0.020 1 1012 93 93 PHE C C 174.283 0.400 1 1013 93 93 PHE CA C 54.341 0.400 1 1014 93 93 PHE CB C 37.788 0.400 1 1015 93 93 PHE CD1 C 131.117 0.400 1 1016 93 93 PHE CD2 C 131.139 0.400 1 1017 93 93 PHE CE1 C 130.328 0.400 1 1018 93 93 PHE CE2 C 130.600 0.400 1 1019 93 93 PHE CZ C 128.190 0.400 1 1020 94 94 VAL H H 8.650 0.020 1 1021 94 94 VAL HA H 4.546 0.020 1 1022 94 94 VAL HB H 1.893 0.020 1 1023 94 94 VAL HG1 H 0.778 0.020 2 1024 94 94 VAL HG2 H 0.766 0.020 2 1025 94 94 VAL C C 173.057 0.400 1 1026 94 94 VAL CA C 59.869 0.400 1 1027 94 94 VAL CB C 35.957 0.400 1 1028 94 94 VAL CG1 C 21.752 0.400 1 1029 94 94 VAL CG2 C 21.310 0.400 1 1030 94 94 VAL N N 116.928 0.400 1 1031 95 95 LYS H H 8.884 0.020 1 1032 95 95 LYS HA H 5.309 0.020 1 1033 95 95 LYS HB2 H 1.086 0.020 2 1034 95 95 LYS HB3 H 0.712 0.020 2 1035 95 95 LYS HG2 H 0.861 0.020 2 1036 95 95 LYS HG3 H 0.577 0.020 2 1037 95 95 LYS HD2 H 1.000 0.020 2 1038 95 95 LYS HD3 H 1.037 0.020 2 1039 95 95 LYS HE2 H 2.521 0.020 1 1040 95 95 LYS HE3 H 2.521 0.020 1 1041 95 95 LYS C C 175.432 0.400 1 1042 95 95 LYS CA C 53.402 0.400 1 1043 95 95 LYS CB C 35.631 0.400 1 1044 95 95 LYS CG C 23.031 0.400 1 1045 95 95 LYS CD C 29.125 0.400 1 1046 95 95 LYS CE C 41.780 0.400 1 1047 95 95 LYS N N 120.971 0.400 1 1048 96 96 GLY H H 8.418 0.020 1 1049 96 96 GLY HA2 H 3.962 0.020 2 1050 96 96 GLY HA3 H 4.114 0.020 2 1051 96 96 GLY C C 173.006 0.400 1 1052 96 96 GLY CA C 45.171 0.400 1 1053 96 96 GLY N N 108.231 0.400 1 1054 97 97 SER H H 8.237 0.020 1 1055 97 97 SER HA H 5.026 0.020 1 1056 97 97 SER HB2 H 4.393 0.020 2 1057 97 97 SER HB3 H 4.083 0.020 2 1058 97 97 SER C C 173.976 0.400 1 1059 97 97 SER CA C 58.138 0.400 1 1060 97 97 SER CB C 63.779 0.400 1 1061 97 97 SER N N 115.460 0.400 1 1062 98 98 LEU H H 9.187 0.020 1 1063 98 98 LEU HA H 3.281 0.020 1 1064 98 98 LEU HB2 H 1.316 0.020 2 1065 98 98 LEU HB3 H 0.828 0.020 2 1066 98 98 LEU HG H 0.854 0.020 1 1067 98 98 LEU HD1 H -0.289 0.020 2 1068 98 98 LEU HD2 H 0.353 0.020 2 1069 98 98 LEU C C 177.654 0.400 1 1070 98 98 LEU CA C 58.665 0.400 1 1071 98 98 LEU CB C 40.094 0.400 1 1072 98 98 LEU CG C 25.389 0.400 1 1073 98 98 LEU CD1 C 20.780 0.400 1 1074 98 98 LEU CD2 C 26.375 0.400 1 1075 98 98 LEU N N 123.198 0.400 1 1076 99 99 GLU H H 8.838 0.020 1 1077 99 99 GLU HA H 3.640 0.020 1 1078 99 99 GLU HB2 H 1.799 0.020 2 1079 99 99 GLU HB3 H 1.801 0.020 2 1080 99 99 GLU HG2 H 2.183 0.020 2 1081 99 99 GLU HG3 H 1.939 0.020 2 1082 99 99 GLU C C 178.880 0.400 1 1083 99 99 GLU CA C 59.974 0.400 1 1084 99 99 GLU CB C 28.579 0.400 1 1085 99 99 GLU CG C 36.671 0.400 1 1086 99 99 GLU N N 112.768 0.400 1 1087 100 100 SER H H 7.754 0.020 1 1088 100 100 SER HA H 4.228 0.020 1 1089 100 100 SER HB2 H 3.812 0.020 2 1090 100 100 SER HB3 H 3.956 0.020 2 1091 100 100 SER C C 177.705 0.400 1 1092 100 100 SER CA C 60.117 0.400 1 1093 100 100 SER CB C 63.233 0.400 1 1094 100 100 SER N N 115.040 0.400 1 1095 101 101 ALA H H 9.373 0.020 1 1096 101 101 ALA HA H 3.668 0.020 1 1097 101 101 ALA HB H 0.941 0.020 1 1098 101 101 ALA C C 178.395 0.400 1 1099 101 101 ALA CA C 54.669 0.400 1 1100 101 101 ALA CB C 16.504 0.400 1 1101 101 101 ALA N N 125.073 0.400 1 1102 102 102 ALA H H 7.949 0.020 1 1103 102 102 ALA HA H 3.397 0.020 1 1104 102 102 ALA HB H 1.255 0.020 1 1105 102 102 ALA C C 176.556 0.400 1 1106 102 102 ALA CA C 55.250 0.400 1 1107 102 102 ALA CB C 18.259 0.400 1 1108 102 102 ALA N N 118.439 0.400 1 1109 103 103 GLU H H 7.639 0.020 1 1110 103 103 GLU HA H 3.924 0.020 1 1111 103 103 GLU HB2 H 2.063 0.020 1 1112 103 103 GLU HB3 H 2.063 0.020 1 1113 103 103 GLU HG2 H 2.328 0.020 2 1114 103 103 GLU HG3 H 2.123 0.020 2 1115 103 103 GLU C C 180.004 0.400 1 1116 103 103 GLU CA C 58.896 0.400 1 1117 103 103 GLU CB C 29.285 0.400 1 1118 103 103 GLU CG C 36.010 0.400 1 1119 103 103 GLU N N 117.410 0.400 1 1120 104 104 GLN H H 8.292 0.020 1 1121 104 104 GLN HA H 3.936 0.020 1 1122 104 104 GLN HB2 H 2.089 0.020 2 1123 104 104 GLN HB3 H 2.009 0.020 2 1124 104 104 GLN HG2 H 2.220 0.020 2 1125 104 104 GLN HG3 H 2.641 0.020 2 1126 104 104 GLN HE21 H 6.826 0.020 2 1127 104 104 GLN HE22 H 6.939 0.020 2 1128 104 104 GLN C C 177.654 0.400 1 1129 104 104 GLN CA C 58.566 0.400 1 1130 104 104 GLN CB C 30.913 0.400 1 1131 104 104 GLN CG C 35.097 0.400 1 1132 104 104 GLN N N 118.474 0.400 1 1133 104 104 GLN NE2 N 111.028 0.400 1 1134 105 105 ALA H H 8.001 0.020 1 1135 105 105 ALA HA H 4.264 0.020 1 1136 105 105 ALA HB H 1.025 0.020 1 1137 105 105 ALA C C 176.070 0.400 1 1138 105 105 ALA CA C 52.562 0.400 1 1139 105 105 ALA CB C 19.116 0.400 1 1140 105 105 ALA N N 119.219 0.400 1 1141 106 106 GLY H H 7.522 0.020 1 1142 106 106 GLY HA2 H 3.641 0.020 2 1143 106 106 GLY HA3 H 3.983 0.020 2 1144 106 106 GLY C C 174.040 0.400 1 1145 106 106 GLY CA C 45.171 0.400 1 1146 106 106 GLY N N 104.120 0.400 1 1147 107 107 ILE H H 7.875 0.020 1 1148 107 107 ILE HA H 4.342 0.020 1 1149 107 107 ILE HB H 0.875 0.020 1 1150 107 107 ILE HG12 H -0.128 0.020 2 1151 107 107 ILE HG13 H 0.529 0.020 2 1152 107 107 ILE HG2 H 0.672 0.020 1 1153 107 107 ILE HD1 H -0.059 0.020 1 1154 107 107 ILE C C 175.820 0.400 1 1155 107 107 ILE CA C 58.871 0.400 1 1156 107 107 ILE CB C 40.554 0.400 1 1157 107 107 ILE CG1 C 26.596 0.400 1 1158 107 107 ILE CG2 C 17.936 0.400 1 1159 107 107 ILE CD1 C 14.491 0.400 1 1160 107 107 ILE N N 122.351 0.400 1 1161 108 108 VAL H H 7.268 0.020 1 1162 108 108 VAL HA H 3.566 0.020 1 1163 108 108 VAL HB H 1.890 0.020 1 1164 108 108 VAL HG1 H 0.979 0.020 2 1165 108 108 VAL HG2 H 1.095 0.020 2 1166 108 108 VAL C C 176.734 0.400 1 1167 108 108 VAL CA C 64.637 0.400 1 1168 108 108 VAL CB C 30.612 0.400 1 1169 108 108 VAL CG1 C 22.421 0.400 1 1170 108 108 VAL CG2 C 21.464 0.400 1 1171 108 108 VAL N N 126.128 0.400 1 1172 109 109 VAL H H 7.947 0.020 1 1173 109 109 VAL HA H 3.049 0.020 1 1174 109 109 VAL HB H 1.920 0.020 1 1175 109 109 VAL HG1 H 0.832 0.020 2 1176 109 109 VAL HG2 H 1.064 0.020 2 1177 109 109 VAL C C 177.373 0.400 1 1178 109 109 VAL CA C 66.946 0.400 1 1179 109 109 VAL CB C 32.014 0.400 1 1180 109 109 VAL CG1 C 21.175 0.400 1 1181 109 109 VAL CG2 C 21.607 0.400 1 1182 109 109 VAL N N 130.698 0.400 1 1183 110 110 ASP H H 8.596 0.020 1 1184 110 110 ASP HA H 4.136 0.020 1 1185 110 110 ASP HB2 H 2.580 0.020 2 1186 110 110 ASP HB3 H 2.517 0.020 2 1187 110 110 ASP C C 179.084 0.400 1 1188 110 110 ASP CA C 56.951 0.400 1 1189 110 110 ASP CB C 39.333 0.400 1 1190 110 110 ASP N N 115.932 0.400 1 1191 111 111 GLU H H 6.769 0.020 1 1192 111 111 GLU HA H 4.154 0.020 1 1193 111 111 GLU HB2 H 1.960 0.020 2 1194 111 111 GLU HB3 H 2.069 0.020 2 1195 111 111 GLU HG2 H 1.941 0.020 2 1196 111 111 GLU HG3 H 1.939 0.020 2 1197 111 111 GLU C C 177.092 0.400 1 1198 111 111 GLU CA C 57.677 0.400 1 1199 111 111 GLU CB C 28.150 0.400 1 1200 111 111 GLU CG C 36.870 0.400 1 1201 111 111 GLU N N 118.670 0.400 1 1202 112 112 LEU H H 7.639 0.020 1 1203 112 112 LEU HA H 4.461 0.020 1 1204 112 112 LEU HB2 H 1.735 0.020 2 1205 112 112 LEU HB3 H 1.297 0.020 2 1206 112 112 LEU HG H 1.297 0.020 1 1207 112 112 LEU HD1 H 0.777 0.020 2 1208 112 112 LEU HD2 H 0.532 0.020 2 1209 112 112 LEU C C 178.446 0.400 1 1210 112 112 LEU CA C 57.450 0.400 1 1211 112 112 LEU CB C 40.210 0.400 1 1212 112 112 LEU CG C 26.440 0.400 1 1213 112 112 LEU CD1 C 24.772 0.400 1 1214 112 112 LEU CD2 C 26.561 0.400 1 1215 112 112 LEU N N 119.868 0.400 1 1216 113 113 VAL H H 8.280 0.020 1 1217 113 113 VAL HA H 3.302 0.020 1 1218 113 113 VAL HB H 2.044 0.020 1 1219 113 113 VAL HG1 H 0.828 0.020 2 1220 113 113 VAL HG2 H 0.876 0.020 2 1221 113 113 VAL C C 178.267 0.400 1 1222 113 113 VAL CA C 66.548 0.400 1 1223 113 113 VAL CB C 31.299 0.400 1 1224 113 113 VAL CG1 C 20.503 0.400 1 1225 113 113 VAL CG2 C 22.296 0.400 1 1226 113 113 VAL N N 117.615 0.400 1 1227 114 114 GLN H H 7.375 0.020 1 1228 114 114 GLN HA H 3.943 0.020 1 1229 114 114 GLN HB2 H 2.198 0.020 2 1230 114 114 GLN HB3 H 2.118 0.020 2 1231 114 114 GLN HG2 H 2.324 0.020 2 1232 114 114 GLN HG3 H 2.414 0.020 2 1233 114 114 GLN HE21 H 7.466 0.020 2 1234 114 114 GLN HE22 H 6.924 0.020 2 1235 114 114 GLN C C 177.373 0.400 1 1236 114 114 GLN CA C 58.435 0.400 1 1237 114 114 GLN CB C 28.381 0.400 1 1238 114 114 GLN CG C 33.720 0.400 1 1239 114 114 GLN N N 119.096 0.400 1 1240 114 114 GLN NE2 N 113.937 0.400 1 1241 115 115 THR H H 9.252 0.020 1 1242 115 115 THR HA H 3.975 0.020 1 1243 115 115 THR HB H 4.624 0.020 1 1244 115 115 THR HG1 H 6.277 0.020 1 1245 115 115 THR HG2 H 1.202 0.020 1 1246 115 115 THR C C 177.220 0.400 1 1247 115 115 THR CA C 65.678 0.400 1 1248 115 115 THR CB C 68.002 0.400 1 1249 115 115 THR CG2 C 22.366 0.400 1 1250 115 115 THR N N 120.436 0.400 1 1251 116 116 VAL H H 8.757 0.020 1 1252 116 116 VAL HA H 3.485 0.020 1 1253 116 116 VAL HB H 1.875 0.020 1 1254 116 116 VAL HG1 H 0.809 0.020 2 1255 116 116 VAL HG2 H 0.527 0.020 2 1256 116 116 VAL C C 176.632 0.400 1 1257 116 116 VAL CA C 67.837 0.400 1 1258 116 116 VAL CB C 30.821 0.400 1 1259 116 116 VAL CG1 C 20.356 0.400 1 1260 116 116 VAL CG2 C 22.622 0.400 1 1261 116 116 VAL N N 122.741 0.400 1 1262 117 117 LYS H H 8.179 0.020 1 1263 117 117 LYS HA H 3.952 0.020 1 1264 117 117 LYS HB2 H 1.895 0.020 2 1265 117 117 LYS HB3 H 1.897 0.020 2 1266 117 117 LYS HG2 H 1.356 0.020 2 1267 117 117 LYS HG3 H 1.542 0.020 2 1268 117 117 LYS HD2 H 1.620 0.020 1 1269 117 117 LYS HD3 H 1.620 0.020 1 1270 117 117 LYS HE2 H 2.906 0.020 2 1271 117 117 LYS HE3 H 2.909 0.020 2 1272 117 117 LYS C C 180.234 0.400 1 1273 117 117 LYS CA C 60.150 0.400 1 1274 117 117 LYS CB C 31.799 0.400 1 1275 117 117 LYS CG C 24.910 0.400 1 1276 117 117 LYS CD C 29.202 0.400 1 1277 117 117 LYS CE C 41.780 0.400 1 1278 117 117 LYS N N 120.902 0.400 1 1279 118 118 ASN H H 8.846 0.020 1 1280 118 118 ASN HA H 4.259 0.020 1 1281 118 118 ASN HB2 H 2.976 0.020 2 1282 118 118 ASN HB3 H 2.379 0.020 2 1283 118 118 ASN HD21 H 8.008 0.020 2 1284 118 118 ASN HD22 H 6.946 0.020 2 1285 118 118 ASN C C 177.475 0.400 1 1286 118 118 ASN CA C 54.773 0.400 1 1287 118 118 ASN CB C 36.607 0.400 1 1288 118 118 ASN N N 118.745 0.400 1 1289 118 118 ASN ND2 N 111.400 0.400 1 1290 119 119 TYR H H 8.473 0.020 1 1291 119 119 TYR HA H 3.771 0.020 1 1292 119 119 TYR HB2 H 3.122 0.020 2 1293 119 119 TYR HB3 H 3.366 0.020 2 1294 119 119 TYR HD1 H 7.105 0.020 1 1295 119 119 TYR HD2 H 7.105 0.020 1 1296 119 119 TYR HE1 H 6.731 0.020 1 1297 119 119 TYR HE2 H 6.731 0.020 1 1298 119 119 TYR C C 176.581 0.400 1 1299 119 119 TYR CA C 62.063 0.400 1 1300 119 119 TYR CB C 38.515 0.400 1 1301 119 119 TYR CD1 C 131.989 0.400 1 1302 119 119 TYR CD2 C 132.346 0.400 1 1303 119 119 TYR CE1 C 121.234 0.400 1 1304 119 119 TYR CE2 C 121.129 0.400 1 1305 119 119 TYR N N 123.081 0.400 1 1306 120 120 GLN H H 8.879 0.020 1 1307 120 120 GLN HA H 4.295 0.020 1 1308 120 120 GLN HB2 H 2.148 0.020 2 1309 120 120 GLN HB3 H 2.395 0.020 2 1310 120 120 GLN HG2 H 2.641 0.020 2 1311 120 120 GLN HG3 H 2.966 0.020 2 1312 120 120 GLN HE21 H 7.564 0.020 2 1313 120 120 GLN HE22 H 7.409 0.020 2 1314 120 120 GLN C C 180.310 0.400 1 1315 120 120 GLN CA C 59.177 0.400 1 1316 120 120 GLN CB C 29.038 0.400 1 1317 120 120 GLN CG C 33.720 0.400 1 1318 120 120 GLN N N 117.530 0.400 1 1319 120 120 GLN NE2 N 110.689 0.400 1 1320 121 121 GLY H H 7.418 0.020 1 1321 121 121 GLY HA2 H 3.922 0.020 2 1322 121 121 GLY HA3 H 3.970 0.020 2 1323 121 121 GLY C C 175.636 0.400 1 1324 121 121 GLY CA C 46.811 0.400 1 1325 121 121 GLY N N 105.662 0.400 1 1326 122 122 TYR H H 7.969 0.020 1 1327 122 122 TYR HA H 4.749 0.020 1 1328 122 122 TYR HB2 H 3.068 0.020 2 1329 122 122 TYR HB3 H 3.282 0.020 2 1330 122 122 TYR HD1 H 7.185 0.020 1 1331 122 122 TYR HD2 H 7.185 0.020 1 1332 122 122 TYR HE1 H 7.008 0.020 1 1333 122 122 TYR HE2 H 7.008 0.020 1 1334 122 122 TYR C C 178.957 0.400 1 1335 122 122 TYR CA C 56.917 0.400 1 1336 122 122 TYR CB C 35.491 0.400 1 1337 122 122 TYR CD1 C 131.828 0.400 1 1338 122 122 TYR CD2 C 131.762 0.400 1 1339 122 122 TYR CE1 C 117.910 0.400 1 1340 122 122 TYR CE2 C 118.231 0.400 1 1341 122 122 TYR N N 123.735 0.400 1 1342 123 123 VAL H H 8.115 0.020 1 1343 123 123 VAL HA H 3.221 0.020 1 1344 123 123 VAL HB H 2.006 0.020 1 1345 123 123 VAL HG1 H 0.657 0.020 2 1346 123 123 VAL HG2 H 0.383 0.020 2 1347 123 123 VAL C C 179.314 0.400 1 1348 123 123 VAL CA C 66.104 0.400 1 1349 123 123 VAL CB C 30.591 0.400 1 1350 123 123 VAL CG1 C 21.108 0.400 1 1351 123 123 VAL CG2 C 21.621 0.400 1 1352 123 123 VAL N N 117.310 0.400 1 1353 124 124 GLN H H 7.536 0.020 1 1354 124 124 GLN HA H 3.936 0.020 1 1355 124 124 GLN HB2 H 2.190 0.020 2 1356 124 124 GLN HB3 H 2.188 0.020 2 1357 124 124 GLN HG2 H 2.422 0.020 1 1358 124 124 GLN HG3 H 2.421 0.020 1 1359 124 124 GLN HE21 H 6.841 0.020 2 1360 124 124 GLN HE22 H 7.490 0.020 2 1361 124 124 GLN C C 177.756 0.400 1 1362 124 124 GLN CA C 58.501 0.400 1 1363 124 124 GLN CB C 28.216 0.400 1 1364 124 124 GLN CG C 33.720 0.400 1 1365 124 124 GLN N N 119.179 0.400 1 1366 124 124 GLN NE2 N 111.810 0.400 1 1367 125 125 ASP H H 8.331 0.020 1 1368 125 125 ASP HA H 4.565 0.020 1 1369 125 125 ASP HB2 H 2.859 0.020 2 1370 125 125 ASP HB3 H 2.941 0.020 2 1371 125 125 ASP C C 176.632 0.400 1 1372 125 125 ASP CA C 54.860 0.400 1 1373 125 125 ASP CB C 41.331 0.400 1 1374 125 125 ASP N N 117.281 0.400 1 1375 126 126 GLY H H 8.005 0.020 1 1376 126 126 GLY HA2 H 3.727 0.020 2 1377 126 126 GLY HA3 H 3.947 0.020 2 1378 126 126 GLY C C 173.670 0.400 1 1379 126 126 GLY CA C 45.171 0.400 1 1380 126 126 GLY N N 109.237 0.400 1 1381 127 127 HIS H H 7.914 0.020 1 1382 127 127 HIS HA H 4.444 0.020 1 1383 127 127 HIS HB2 H 2.688 0.020 2 1384 127 127 HIS HB3 H 2.518 0.020 2 1385 127 127 HIS HD2 H 5.988 0.020 1 1386 127 127 HIS C C 172.086 0.400 1 1387 127 127 HIS CA C 55.574 0.400 1 1388 127 127 HIS CB C 32.398 0.400 1 1389 127 127 HIS CD2 C 119.128 0.400 1 1390 127 127 HIS N N 116.518 0.400 1 1391 128 128 ASP H H 9.237 0.020 1 1392 128 128 ASP HA H 4.032 0.020 1 1393 128 128 ASP HB2 H 2.466 0.020 2 1394 128 128 ASP HB3 H 2.857 0.020 2 1395 128 128 ASP C C 175.713 0.400 1 1396 128 128 ASP CA C 51.152 0.400 1 1397 128 128 ASP CB C 39.901 0.400 1 1398 128 128 ASP N N 125.208 0.400 1 1399 129 129 HIS H H 5.122 0.020 1 1400 129 129 HIS HA H 3.741 0.020 1 1401 129 129 HIS HB2 H 2.450 0.020 2 1402 129 129 HIS HB3 H 2.879 0.020 2 1403 129 129 HIS HD2 H 6.930 0.020 1 1404 129 129 HIS C C 175.190 0.400 1 1405 129 129 HIS CA C 57.769 0.400 1 1406 129 129 HIS CB C 30.890 0.400 1 1407 129 129 HIS CD2 C 119.437 0.400 1 1408 129 129 HIS N N 122.889 0.400 1 1409 130 130 ASP H H 7.319 0.020 1 1410 130 130 ASP HA H 4.458 0.020 1 1411 130 130 ASP HB2 H 2.166 0.020 2 1412 130 130 ASP HB3 H 2.492 0.020 2 1413 130 130 ASP C C 176.410 0.400 1 1414 130 130 ASP CA C 56.356 0.400 1 1415 130 130 ASP CB C 43.343 0.400 1 1416 130 130 ASP N N 114.681 0.400 1 1417 131 131 PHE H H 7.737 0.020 1 1418 131 131 PHE HA H 4.674 0.020 1 1419 131 131 PHE HB2 H 3.241 0.020 2 1420 131 131 PHE HB3 H 2.856 0.020 2 1421 131 131 PHE HD1 H 7.081 0.020 1 1422 131 131 PHE HD2 H 7.081 0.020 1 1423 131 131 PHE HE1 H 7.007 0.020 1 1424 131 131 PHE HE2 H 7.007 0.020 1 1425 131 131 PHE HZ H 6.975 0.020 1 1426 131 131 PHE C C 176.096 0.400 1 1427 131 131 PHE CA C 58.493 0.400 1 1428 131 131 PHE CB C 40.643 0.400 1 1429 131 131 PHE CD1 C 131.351 0.400 1 1430 131 131 PHE CD2 C 131.110 0.400 1 1431 131 131 PHE CE1 C 131.149 0.400 1 1432 131 131 PHE CE2 C 131.326 0.400 1 1433 131 131 PHE CZ C 128.607 0.400 1 1434 131 131 PHE N N 113.607 0.400 1 1435 132 132 GLY H H 7.472 0.020 1 1436 132 132 GLY HA2 H 3.734 0.020 1 1437 132 132 GLY HA3 H 3.734 0.020 1 1438 132 132 GLY C C 174.040 0.400 1 1439 132 132 GLY CA C 46.811 0.400 1 1440 132 132 GLY N N 108.432 0.400 1 1441 133 133 ARG H H 8.967 0.020 1 1442 133 133 ARG HA H 4.002 0.020 1 1443 133 133 ARG HB2 H 1.910 0.020 2 1444 133 133 ARG HB3 H 1.640 0.020 2 1445 133 133 ARG HG2 H 1.878 0.020 2 1446 133 133 ARG HG3 H 1.796 0.020 2 1447 133 133 ARG HD2 H 3.144 0.020 2 1448 133 133 ARG HD3 H 3.585 0.020 2 1449 133 133 ARG C C 175.100 0.400 1 1450 133 133 ARG CA C 56.950 0.400 1 1451 133 133 ARG CB C 32.966 0.400 1 1452 133 133 ARG CG C 25.354 0.400 1 1453 133 133 ARG CD C 45.174 0.400 1 1454 133 133 ARG N N 121.938 0.400 1 1455 134 134 ASP H H 8.378 0.020 1 1456 134 134 ASP HA H 4.575 0.020 1 1457 134 134 ASP HB2 H 2.823 0.020 1 1458 134 134 ASP HB3 H 2.824 0.020 1 1459 134 134 ASP CA C 52.727 0.400 1 1460 134 134 ASP CB C 42.434 0.400 1 1461 134 134 ASP N N 127.417 0.400 1 1462 135 135 PRO HA H 4.041 0.020 1 1463 135 135 PRO HB2 H 2.222 0.020 2 1464 135 135 PRO HB3 H 1.883 0.020 2 1465 135 135 PRO HG2 H 2.006 0.020 2 1466 135 135 PRO HG3 H 1.910 0.020 2 1467 135 135 PRO HD2 H 3.677 0.020 2 1468 135 135 PRO HD3 H 3.918 0.020 2 1469 135 135 PRO C C 177.858 0.400 1 1470 135 135 PRO CA C 64.353 0.400 1 1471 135 135 PRO CB C 31.977 0.400 1 1472 135 135 PRO CG C 27.140 0.400 1 1473 135 135 PRO CD C 51.538 0.400 1 1474 136 136 LYS H H 8.823 0.020 1 1475 136 136 LYS HA H 3.925 0.020 1 1476 136 136 LYS HB2 H 1.071 0.020 2 1477 136 136 LYS HB3 H 1.376 0.020 2 1478 136 136 LYS HG2 H 0.833 0.020 2 1479 136 136 LYS HG3 H 0.650 0.020 2 1480 136 136 LYS HD2 H 1.387 0.020 2 1481 136 136 LYS HD3 H 1.390 0.020 2 1482 136 136 LYS HE2 H 2.762 0.020 1 1483 136 136 LYS HE3 H 2.762 0.020 1 1484 136 136 LYS C C 177.220 0.400 1 1485 136 136 LYS CA C 58.184 0.400 1 1486 136 136 LYS CB C 31.383 0.400 1 1487 136 136 LYS CG C 23.628 0.400 1 1488 136 136 LYS CD C 29.009 0.400 1 1489 136 136 LYS CE C 41.498 0.400 1 1490 136 136 LYS N N 118.478 0.400 1 1491 137 137 TYR H H 8.265 0.020 1 1492 137 137 TYR HA H 4.721 0.020 1 1493 137 137 TYR HB2 H 2.600 0.020 2 1494 137 137 TYR HB3 H 3.719 0.020 2 1495 137 137 TYR HD1 H 7.279 0.020 1 1496 137 137 TYR HD2 H 7.279 0.020 1 1497 137 137 TYR HE1 H 6.812 0.020 1 1498 137 137 TYR HE2 H 6.812 0.020 1 1499 137 137 TYR C C 174.078 0.400 1 1500 137 137 TYR CA C 56.158 0.400 1 1501 137 137 TYR CB C 39.663 0.400 1 1502 137 137 TYR CD1 C 133.095 0.400 1 1503 137 137 TYR CD2 C 133.229 0.400 1 1504 137 137 TYR CE1 C 117.737 0.400 1 1505 137 137 TYR CE2 C 117.910 0.400 1 1506 137 137 TYR N N 117.520 0.400 1 1507 138 138 LEU H H 6.957 0.020 1 1508 138 138 LEU HA H 4.400 0.020 1 1509 138 138 LEU HB2 H 1.060 0.020 2 1510 138 138 LEU HB3 H 1.877 0.020 2 1511 138 138 LEU HG H 1.661 0.020 1 1512 138 138 LEU HD1 H 0.568 0.020 2 1513 138 138 LEU HD2 H 0.739 0.020 2 1514 138 138 LEU C C 174.819 0.400 1 1515 138 138 LEU CA C 53.305 0.400 1 1516 138 138 LEU CB C 41.445 0.400 1 1517 138 138 LEU CG C 25.996 0.400 1 1518 138 138 LEU CD1 C 24.554 0.400 1 1519 138 138 LEU CD2 C 23.276 0.400 1 1520 138 138 LEU N N 118.190 0.400 1 1521 139 139 HIS H H 7.674 0.020 1 1522 139 139 HIS HA H 4.365 0.020 1 1523 139 139 HIS HB2 H 2.984 0.020 2 1524 139 139 HIS HB3 H 2.942 0.020 2 1525 139 139 HIS HD2 H 6.937 0.020 1 1526 139 139 HIS C C 173.746 0.400 1 1527 139 139 HIS CA C 55.573 0.400 1 1528 139 139 HIS CB C 32.538 0.400 1 1529 139 139 HIS N N 122.343 0.400 1 1530 140 140 GLN H H 9.006 0.020 1 1531 140 140 GLN HA H 4.241 0.020 1 1532 140 140 GLN HB2 H 2.014 0.020 2 1533 140 140 GLN HB3 H 2.085 0.020 2 1534 140 140 GLN HG2 H 2.255 0.020 2 1535 140 140 GLN HG3 H 2.434 0.020 2 1536 140 140 GLN HE21 H 7.484 0.020 2 1537 140 140 GLN HE22 H 6.914 0.020 2 1538 140 140 GLN C C 176.964 0.400 1 1539 140 140 GLN CA C 56.496 0.400 1 1540 140 140 GLN CB C 28.644 0.400 1 1541 140 140 GLN CG C 34.098 0.400 1 1542 140 140 GLN N N 124.360 0.400 1 1543 140 140 GLN NE2 N 111.080 0.400 1 1544 141 141 PHE H H 9.566 0.020 1 1545 141 141 PHE HA H 4.804 0.020 1 1546 141 141 PHE HB2 H 3.081 0.020 2 1547 141 141 PHE HB3 H 3.024 0.020 2 1548 141 141 PHE HD1 H 7.373 0.020 1 1549 141 141 PHE HD2 H 7.373 0.020 1 1550 141 141 PHE HE1 H 7.293 0.020 1 1551 141 141 PHE HE2 H 7.293 0.020 1 1552 141 141 PHE HZ H 7.095 0.020 1 1553 141 141 PHE C C 176.607 0.400 1 1554 141 141 PHE CA C 58.017 0.400 1 1555 141 141 PHE CB C 39.150 0.400 1 1556 141 141 PHE CD1 C 132.157 0.400 1 1557 141 141 PHE CD2 C 132.202 0.400 1 1558 141 141 PHE CE1 C 130.829 0.400 1 1559 141 141 PHE CE2 C 131.116 0.400 1 1560 141 141 PHE CZ C 129.405 0.400 1 1561 141 141 PHE N N 121.591 0.400 1 1562 142 142 GLU H H 10.901 0.020 1 1563 142 142 GLU HA H 4.606 0.020 1 1564 142 142 GLU HB2 H 1.945 0.020 2 1565 142 142 GLU HB3 H 2.008 0.020 2 1566 142 142 GLU HG2 H 2.178 0.020 2 1567 142 142 GLU HG3 H 2.379 0.020 2 1568 142 142 GLU C C 177.143 0.400 1 1569 142 142 GLU CA C 55.341 0.400 1 1570 142 142 GLU CB C 31.293 0.400 1 1571 142 142 GLU CG C 36.010 0.400 1 1572 142 142 GLU N N 129.157 0.400 1 1573 143 143 GLY H H 8.897 0.020 1 1574 143 143 GLY HA2 H 3.934 0.020 2 1575 143 143 GLY HA3 H 4.266 0.020 2 1576 143 143 GLY C C 173.133 0.400 1 1577 143 143 GLY CA C 44.407 0.400 1 1578 143 143 GLY N N 112.686 0.400 1 1579 144 144 GLU H H 8.339 0.020 1 1580 144 144 GLU HA H 4.574 0.020 1 1581 144 144 GLU HB2 H 2.261 0.020 2 1582 144 144 GLU HB3 H 1.921 0.020 2 1583 144 144 GLU HG2 H 2.260 0.020 1 1584 144 144 GLU HG3 H 2.260 0.020 1 1585 144 144 GLU C C 176.505 0.400 1 1586 144 144 GLU CA C 56.162 0.400 1 1587 144 144 GLU CB C 31.416 0.400 1 1588 144 144 GLU CG C 36.010 0.400 1 1589 144 144 GLU N N 114.315 0.400 1 1590 145 145 THR H H 7.621 0.020 1 1591 145 145 THR HA H 4.354 0.020 1 1592 145 145 THR HB H 3.852 0.020 1 1593 145 145 THR HG2 H 0.869 0.020 1 1594 145 145 THR C C 172.648 0.400 1 1595 145 145 THR CA C 62.465 0.400 1 1596 145 145 THR CB C 69.109 0.400 1 1597 145 145 THR CG2 C 22.134 0.400 1 1598 145 145 THR N N 117.080 0.400 1 1599 146 146 PHE H H 9.453 0.020 1 1600 146 146 PHE HA H 5.002 0.020 1 1601 146 146 PHE HB2 H 2.445 0.020 2 1602 146 146 PHE HB3 H 2.380 0.020 2 1603 146 146 PHE HD1 H 6.790 0.020 1 1604 146 146 PHE HD2 H 6.790 0.020 1 1605 146 146 PHE HE1 H 6.591 0.020 1 1606 146 146 PHE HE2 H 6.591 0.020 1 1607 146 146 PHE HZ H 7.014 0.020 1 1608 146 146 PHE C C 172.903 0.400 1 1609 146 146 PHE CA C 56.488 0.400 1 1610 146 146 PHE CB C 42.005 0.400 1 1611 146 146 PHE CD1 C 131.128 0.400 1 1612 146 146 PHE CD2 C 130.791 0.400 1 1613 146 146 PHE CE1 C 130.600 0.400 1 1614 146 146 PHE CE2 C 130.797 0.400 1 1615 146 146 PHE CZ C 129.431 0.400 1 1616 146 146 PHE N N 126.818 0.400 1 1617 147 147 TYR H H 9.044 0.020 1 1618 147 147 TYR HA H 5.083 0.020 1 1619 147 147 TYR HB2 H 2.678 0.020 2 1620 147 147 TYR HB3 H 2.248 0.020 2 1621 147 147 TYR HD1 H 6.214 0.020 1 1622 147 147 TYR HD2 H 6.214 0.020 1 1623 147 147 TYR HE1 H 5.869 0.020 1 1624 147 147 TYR HE2 H 5.869 0.020 1 1625 147 147 TYR C C 174.666 0.400 1 1626 147 147 TYR CA C 56.125 0.400 1 1627 147 147 TYR CB C 40.950 0.400 1 1628 147 147 TYR CD1 C 131.599 0.400 1 1629 147 147 TYR CD2 C 131.846 0.400 1 1630 147 147 TYR CE1 C 116.339 0.400 1 1631 147 147 TYR CE2 C 116.356 0.400 1 1632 147 147 TYR N N 119.178 0.400 1 1633 148 148 ILE H H 8.922 0.020 1 1634 148 148 ILE HA H 5.506 0.020 1 1635 148 148 ILE HB H 1.390 0.020 1 1636 148 148 ILE HG12 H 1.328 0.020 2 1637 148 148 ILE HG13 H 0.930 0.020 2 1638 148 148 ILE HG2 H 0.664 0.020 1 1639 148 148 ILE HD1 H 0.256 0.020 1 1640 148 148 ILE C C 175.023 0.400 1 1641 148 148 ILE CA C 59.435 0.400 1 1642 148 148 ILE CB C 40.389 0.400 1 1643 148 148 ILE CG1 C 26.703 0.400 1 1644 148 148 ILE CG2 C 17.804 0.400 1 1645 148 148 ILE CD1 C 12.468 0.400 1 1646 148 148 ILE N N 120.345 0.400 1 1647 149 149 ILE H H 8.844 0.020 1 1648 149 149 ILE HA H 4.834 0.020 1 1649 149 149 ILE HB H 1.454 0.020 1 1650 149 149 ILE HG12 H 1.190 0.020 2 1651 149 149 ILE HG13 H 0.412 0.020 2 1652 149 149 ILE HG2 H 0.405 0.020 1 1653 149 149 ILE HD1 H 0.534 0.020 1 1654 149 149 ILE C C 175.820 0.400 1 1655 149 149 ILE CA C 58.986 0.400 1 1656 149 149 ILE CB C 41.209 0.400 1 1657 149 149 ILE CG1 C 26.292 0.400 1 1658 149 149 ILE CG2 C 16.679 0.400 1 1659 149 149 ILE CD1 C 13.697 0.400 1 1660 149 149 ILE N N 125.466 0.400 1 1661 150 150 GLU H H 8.811 0.020 1 1662 150 150 GLU HA H 3.991 0.020 1 1663 150 150 GLU HB2 H 2.042 0.020 2 1664 150 150 GLU HB3 H 2.228 0.020 2 1665 150 150 GLU HG2 H 1.797 0.020 1 1666 150 150 GLU HG3 H 1.797 0.020 1 1667 150 150 GLU C C 174.793 0.400 1 1668 150 150 GLU CA C 57.016 0.400 1 1669 150 150 GLU CB C 31.225 0.400 1 1670 150 150 GLU CG C 36.714 0.400 1 1671 150 150 GLU N N 130.618 0.400 1 1672 151 151 GLN H H 8.917 0.020 1 1673 151 151 GLN HA H 4.569 0.020 1 1674 151 151 GLN HB2 H 1.795 0.020 2 1675 151 151 GLN HB3 H 1.692 0.020 2 1676 151 151 GLN HG2 H 2.067 0.020 2 1677 151 151 GLN HG3 H 2.217 0.020 2 1678 151 151 GLN HE22 H 6.904 0.020 1 1679 151 151 GLN C C 172.648 0.400 1 1680 151 151 GLN CA C 53.827 0.400 1 1681 151 151 GLN CB C 30.276 0.400 1 1682 151 151 GLN CG C 33.720 0.400 1 1683 151 151 GLN N N 126.309 0.400 1 1684 152 152 ARG H H 8.267 0.020 1 1685 152 152 ARG HA H 4.580 0.020 1 1686 152 152 ARG HB2 H 1.385 0.020 2 1687 152 152 ARG HB3 H 1.832 0.020 2 1688 152 152 ARG HG2 H 1.468 0.020 1 1689 152 152 ARG HG3 H 1.468 0.020 1 1690 152 152 ARG HD2 H 3.103 0.020 2 1691 152 152 ARG HD3 H 2.965 0.020 2 1692 152 152 ARG C C 176.249 0.400 1 1693 152 152 ARG CA C 54.291 0.400 1 1694 152 152 ARG CB C 32.793 0.400 1 1695 152 152 ARG CG C 27.925 0.400 1 1696 152 152 ARG CD C 43.100 0.400 1 1697 152 152 ARG N N 121.635 0.400 1 1698 153 153 LEU H H 8.573 0.020 1 1699 153 153 LEU HA H 4.182 0.020 1 1700 153 153 LEU HB2 H 1.443 0.020 1 1701 153 153 LEU HB3 H 1.442 0.020 1 1702 153 153 LEU HG H 1.445 0.020 1 1703 153 153 LEU HD1 H 0.694 0.020 2 1704 153 153 LEU HD2 H 0.679 0.020 2 1705 153 153 LEU C C 176.970 0.400 1 1706 153 153 LEU CA C 54.883 0.400 1 1707 153 153 LEU CB C 42.025 0.400 1 1708 153 153 LEU CG C 26.770 0.400 1 1709 153 153 LEU CD1 C 25.072 0.400 1 1710 153 153 LEU CD2 C 23.362 0.400 1 1711 153 153 LEU N N 122.382 0.400 1 1712 154 154 GLU H H 8.549 0.020 1 1713 154 154 GLU HA H 4.153 0.020 1 1714 154 154 GLU HB2 H 1.836 0.020 2 1715 154 154 GLU HB3 H 1.761 0.020 2 1716 154 154 GLU HG2 H 2.034 0.020 2 1717 154 154 GLU HG3 H 2.095 0.020 2 1718 154 154 GLU CA C 56.308 0.400 1 1719 154 154 GLU CB C 30.092 0.400 1 1720 154 154 GLU CG C 35.789 0.400 1 1721 154 154 GLU N N 119.407 0.400 1 1722 155 155 HIS HA H 4.458 0.020 1 1723 155 155 HIS HB2 H 2.852 0.020 2 1724 155 155 HIS HB3 H 2.916 0.020 2 1725 155 155 HIS HD2 H 6.720 0.020 1 1726 155 155 HIS CD2 C 119.101 0.400 1 1727 157 157 HIS C C 173.976 0.400 1 1728 158 158 HIS H H 7.826 0.020 1 1729 158 158 HIS N N 125.729 0.400 1 stop_ save_