data_15835 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of protein encoded by gene BPP1335 from Bordetella parapertussis: Northeast Structural Genomics Target BpR195 ; _BMRB_accession_number 15835 _BMRB_flat_file_name bmr15835.str _Entry_type original _Submission_date 2008-06-27 _Accession_date 2008-06-27 _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 SINGARAPU 'KIRAN KUMAR' . . 2 ELETSKY ALEX . . 3 SATHYAMOORTHY BHARATHWAJ . . 4 SUKUMARAN DINESH . . 5 Wang Dongyan . . 6 Jiang Mei . . 7 Ciccosanti Colleen . . 8 Xiao Rong . . 9 Liu Jinfeng . . 10 Baran Michael C. . 11 Swapna G.V.T . . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 SZYPERSKI THOMAS . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1010 "13C chemical shifts" 738 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2008-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of protein encoded by gene BPP1335 from Bordetella parapertussis: Northeast Structural Genomics Target BpR195 ; _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 SINGARAPU 'KIRAN KUMAR' . . 2 ELETSKY ALEX . . 3 SATHYAMOORTHY BHARATHWAJ . . 4 SUKUMARAN DINESH . . 5 Wang Dongyan . . 6 Jiang Mei . . 7 Ciccosanti Colleen . . 8 Xiao Rong . . 9 Liu Jinfeng . . 10 Baran Michael C. . 11 Swapna G.V.T . . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 SZYPERSKI THOMAS . . 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 BpR195 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BpR195 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BpR195 _Molecular_mass 21168.037 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MTSPSSAFPDGHGARLDAQS IRFERLLPGPIERVWAWLAD ADKRARWLAGGELPRQPGQT FELHFNHAALTAETAPARYA QYDRPIVARHTLLRCEPPRV LALTWGGGAGEAPSEVLFEL SEAGEQVRLVLTHTRLADRA AMLDVAGGWHAHLAVLAGKL AGQAPPPFWTTLAQAEQDYE QRLLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 SER 4 PRO 5 SER 6 SER 7 ALA 8 PHE 9 PRO 10 ASP 11 GLY 12 HIS 13 GLY 14 ALA 15 ARG 16 LEU 17 ASP 18 ALA 19 GLN 20 SER 21 ILE 22 ARG 23 PHE 24 GLU 25 ARG 26 LEU 27 LEU 28 PRO 29 GLY 30 PRO 31 ILE 32 GLU 33 ARG 34 VAL 35 TRP 36 ALA 37 TRP 38 LEU 39 ALA 40 ASP 41 ALA 42 ASP 43 LYS 44 ARG 45 ALA 46 ARG 47 TRP 48 LEU 49 ALA 50 GLY 51 GLY 52 GLU 53 LEU 54 PRO 55 ARG 56 GLN 57 PRO 58 GLY 59 GLN 60 THR 61 PHE 62 GLU 63 LEU 64 HIS 65 PHE 66 ASN 67 HIS 68 ALA 69 ALA 70 LEU 71 THR 72 ALA 73 GLU 74 THR 75 ALA 76 PRO 77 ALA 78 ARG 79 TYR 80 ALA 81 GLN 82 TYR 83 ASP 84 ARG 85 PRO 86 ILE 87 VAL 88 ALA 89 ARG 90 HIS 91 THR 92 LEU 93 LEU 94 ARG 95 CYS 96 GLU 97 PRO 98 PRO 99 ARG 100 VAL 101 LEU 102 ALA 103 LEU 104 THR 105 TRP 106 GLY 107 GLY 108 GLY 109 ALA 110 GLY 111 GLU 112 ALA 113 PRO 114 SER 115 GLU 116 VAL 117 LEU 118 PHE 119 GLU 120 LEU 121 SER 122 GLU 123 ALA 124 GLY 125 GLU 126 GLN 127 VAL 128 ARG 129 LEU 130 VAL 131 LEU 132 THR 133 HIS 134 THR 135 ARG 136 LEU 137 ALA 138 ASP 139 ARG 140 ALA 141 ALA 142 MET 143 LEU 144 ASP 145 VAL 146 ALA 147 GLY 148 GLY 149 TRP 150 HIS 151 ALA 152 HIS 153 LEU 154 ALA 155 VAL 156 LEU 157 ALA 158 GLY 159 LYS 160 LEU 161 ALA 162 GLY 163 GLN 164 ALA 165 PRO 166 PRO 167 PRO 168 PHE 169 TRP 170 THR 171 THR 172 LEU 173 ALA 174 GLN 175 ALA 176 GLU 177 GLN 178 ASP 179 TYR 180 GLU 181 GLN 182 ARG 183 LEU 184 LEU 185 GLU 186 HIS 187 HIS 188 HIS 189 HIS 190 HIS 191 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 2K5G "Solution Nmr Structure Of Protein Encoded By Gene Bpp1335 From Bordetella Parapertussis: Northeast Structural Genomics Target B" 100.00 191 100.00 100.00 3.66e-132 DBJ BAO68965 "hypothetical protein BBS798_2240 [Bordetella bronchiseptica]" 95.81 183 98.91 98.91 9.02e-124 EMBL CAE32895 "conserved hypothetical protein [Bordetella bronchiseptica RB50]" 95.81 183 99.45 99.45 1.41e-124 EMBL CAE36637 "conserved hypothetical protein [Bordetella parapertussis]" 95.81 183 100.00 100.00 9.66e-126 EMBL CAE42423 "conserved hypothetical protein [Bordetella pertussis Tohama I]" 95.81 183 98.36 98.36 1.11e-122 EMBL CCJ49648 "conserved hypothetical protein [Bordetella parapertussis Bpp5]" 95.81 183 98.91 98.91 8.09e-124 EMBL CCJ52144 "conserved hypothetical protein [Bordetella bronchiseptica 253]" 95.81 183 98.91 98.91 9.02e-124 GB AEE67412 "hypothetical protein BPTD_2111 [Bordetella pertussis CS]" 95.81 183 98.36 98.36 1.11e-122 GB AIW92288 "hypothetical protein B1917_1925 [Bordetella pertussis B1917]" 95.81 183 98.36 98.36 1.11e-122 GB AIW95609 "hypothetical protein B1920_1726 [Bordetella pertussis B1920]" 95.81 183 98.36 98.36 1.11e-122 GB AJB27454 "hypothetical protein Q425_29050 [Bordetella pertussis 137]" 95.81 183 98.36 98.36 1.11e-122 GB ALH49292 "hypothetical protein B1838_1850 [Bordetella pertussis]" 95.81 183 98.36 98.36 1.11e-122 REF NP_880798 "hypothetical protein BP2144 [Bordetella pertussis Tohama I]" 95.81 183 98.36 98.36 1.11e-122 REF WP_003812218 "ATPase [Bordetella bronchiseptica]" 95.81 183 99.45 99.45 1.41e-124 REF WP_003816973 "hypothetical protein [Bordetella bronchiseptica]" 95.81 183 98.36 98.36 1.45e-122 REF WP_010927985 "ATPase [Bordetella parapertussis]" 95.81 183 100.00 100.00 9.66e-126 REF WP_010930760 "ATPase [Bordetella pertussis]" 95.81 183 98.36 98.36 1.11e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bordetella parapertussis' 519 Bacteria . Bordetella parapertussis 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 $entity 'recombinant technology' . Escherichia coli . pet21-23c 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 $entity 1.069 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.1 mM '[U-100% 15N; U-5% 13C]' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 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_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_4,3D_GFT_HCCH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D_15N-13C_simultanious_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-13C simultanious NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 100 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '4,3D GFT HCCH COSY' '3D 15N-13C simultanious NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BpR195 _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 5 5 SER C C 176.954 0.000 1 2 6 6 SER H H 8.356 0.002 1 3 6 6 SER HA H 4.386 0.000 1 4 6 6 SER HB2 H 3.825 0.000 2 5 6 6 SER HB3 H 3.775 0.000 2 6 6 6 SER C C 173.832 0.000 1 7 6 6 SER CA C 58.128 0.000 1 8 6 6 SER CB C 63.684 0.000 1 9 6 6 SER N N 115.734 0.000 1 10 7 7 ALA H H 8.242 0.000 1 11 7 7 ALA HA H 4.207 0.000 1 12 7 7 ALA HB H 1.184 0.009 1 13 7 7 ALA C C 176.929 0.000 1 14 7 7 ALA CA C 52.295 0.000 1 15 7 7 ALA CB C 19.178 0.000 1 16 7 7 ALA N N 125.534 0.000 1 17 8 8 PHE H H 8.169 0.000 1 18 8 8 PHE HA H 4.830 0.000 1 19 8 8 PHE HB2 H 3.127 0.000 2 20 8 8 PHE HB3 H 2.882 0.000 2 21 8 8 PHE HD1 H 7.238 0.004 1 22 8 8 PHE HD2 H 7.238 0.004 1 23 8 8 PHE HE1 H 7.262 0.000 1 24 8 8 PHE HE2 H 7.262 0.000 1 25 8 8 PHE HZ H 7.176 0.000 1 26 8 8 PHE CA C 55.314 0.000 1 27 8 8 PHE CB C 38.944 0.000 1 28 8 8 PHE CD1 C 131.977 0.000 1 29 8 8 PHE CE1 C 131.131 0.000 1 30 8 8 PHE CZ C 129.450 0.000 1 31 8 8 PHE N N 119.688 0.000 1 32 9 9 PRO HA H 4.397 0.000 1 33 9 9 PRO HB2 H 2.212 0.000 2 34 9 9 PRO HB3 H 1.892 0.000 2 35 9 9 PRO HD2 H 3.716 0.004 2 36 9 9 PRO HD3 H 3.499 0.004 2 37 9 9 PRO HG2 H 1.920 0.000 2 38 9 9 PRO HG3 H 1.934 0.000 2 39 9 9 PRO C C 176.557 0.000 1 40 9 9 PRO CA C 63.282 0.000 1 41 9 9 PRO CB C 31.762 0.000 1 42 9 9 PRO CD C 50.404 0.000 1 43 9 9 PRO CG C 27.213 0.000 1 44 10 10 ASP H H 8.352 0.000 1 45 10 10 ASP HA H 4.617 0.000 1 46 10 10 ASP HB2 H 2.745 0.000 2 47 10 10 ASP HB3 H 2.736 0.000 2 48 10 10 ASP C C 176.780 0.000 1 49 10 10 ASP CA C 54.537 0.000 1 50 10 10 ASP CB C 41.272 0.000 1 51 10 10 ASP N N 120.164 0.000 1 52 11 11 GLY H H 8.463 0.000 1 53 11 11 GLY HA2 H 3.918 0.000 2 54 11 11 GLY HA3 H 4.052 0.000 2 55 11 11 GLY CA C 45.892 0.000 1 56 11 11 GLY N N 108.418 0.000 1 57 18 18 ALA H H 8.310 0.000 1 58 18 18 ALA HA H 4.026 0.000 1 59 18 18 ALA HB H 1.411 0.000 1 60 18 18 ALA C C 178.019 0.000 1 61 18 18 ALA CA C 54.717 0.000 1 62 18 18 ALA CB C 18.829 0.000 1 63 18 18 ALA N N 121.454 0.000 1 64 19 19 GLN H H 8.281 0.000 1 65 19 19 GLN HA H 4.690 0.000 1 66 19 19 GLN HB2 H 2.137 0.000 2 67 19 19 GLN HB3 H 2.222 0.000 2 68 19 19 GLN HE21 H 7.607 0.004 2 69 19 19 GLN HE22 H 6.737 0.000 2 70 19 19 GLN HG2 H 2.192 0.005 2 71 19 19 GLN HG3 H 2.376 0.000 2 72 19 19 GLN C C 174.798 0.000 1 73 19 19 GLN CA C 56.097 0.000 1 74 19 19 GLN CB C 31.637 0.000 1 75 19 19 GLN CG C 33.905 0.000 1 76 19 19 GLN N N 112.383 0.000 1 77 19 19 GLN NE2 N 111.918 0.000 1 78 20 20 SER H H 7.286 0.002 1 79 20 20 SER HA H 4.756 0.000 1 80 20 20 SER HB2 H 3.546 0.000 2 81 20 20 SER HB3 H 3.716 0.003 2 82 20 20 SER CA C 58.047 0.000 1 83 20 20 SER CB C 66.449 0.000 1 84 20 20 SER N N 112.358 0.000 1 85 21 21 ILE H H 8.493 0.000 1 86 21 21 ILE HA H 5.106 0.000 1 87 21 21 ILE HB H 1.648 0.000 1 88 21 21 ILE HD1 H 0.685 0.003 1 89 21 21 ILE HG12 H 0.757 0.008 2 90 21 21 ILE HG13 H 1.288 0.000 2 91 21 21 ILE HG2 H 0.922 0.004 1 92 21 21 ILE CA C 58.688 0.000 1 93 21 21 ILE CB C 42.402 0.000 1 94 21 21 ILE CD1 C 14.808 0.000 1 95 21 21 ILE CG1 C 27.671 0.000 1 96 21 21 ILE CG2 C 16.185 0.000 1 97 21 21 ILE N N 129.350 0.000 1 98 22 22 ARG H H 8.531 0.000 1 99 22 22 ARG HA H 5.754 0.000 1 100 22 22 ARG HB2 H 1.565 0.001 2 101 22 22 ARG HB3 H 1.596 0.001 2 102 22 22 ARG HD2 H 2.994 0.010 2 103 22 22 ARG HD3 H 3.036 0.003 2 104 22 22 ARG HG2 H 1.294 0.002 2 105 22 22 ARG HG3 H 1.302 0.000 2 106 22 22 ARG C C 174.897 0.000 1 107 22 22 ARG CA C 53.790 0.000 1 108 22 22 ARG CB C 34.549 0.000 1 109 22 22 ARG CD C 43.828 0.000 1 110 22 22 ARG CG C 26.932 0.000 1 111 22 22 ARG N N 125.688 0.000 1 112 23 23 PHE H H 9.852 0.000 1 113 23 23 PHE HA H 4.796 0.000 1 114 23 23 PHE HB2 H 2.803 0.003 1 115 23 23 PHE HB3 H 2.581 0.000 1 116 23 23 PHE HD1 H 7.030 0.000 1 117 23 23 PHE HD2 H 7.030 0.000 1 118 23 23 PHE HE1 H 7.398 0.003 1 119 23 23 PHE HE2 H 7.398 0.003 1 120 23 23 PHE HZ H 6.967 0.000 1 121 23 23 PHE C C 174.129 0.000 1 122 23 23 PHE CA C 55.904 0.000 1 123 23 23 PHE CB C 43.553 0.000 1 124 23 23 PHE CD1 C 131.412 0.000 1 125 23 23 PHE CE1 C 131.232 0.000 1 126 23 23 PHE CZ C 131.564 0.000 1 127 23 23 PHE N N 126.420 0.000 1 128 24 24 GLU H H 8.429 0.000 1 129 24 24 GLU HA H 5.553 0.000 1 130 24 24 GLU HB2 H 1.858 0.001 2 131 24 24 GLU HB3 H 1.872 0.000 2 132 24 24 GLU HG2 H 2.116 0.000 2 133 24 24 GLU HG3 H 2.016 0.000 2 134 24 24 GLU C C 176.557 0.000 1 135 24 24 GLU CA C 54.690 0.000 1 136 24 24 GLU CB C 32.899 0.000 1 137 24 24 GLU CG C 36.636 0.000 1 138 24 24 GLU N N 119.495 0.000 1 139 25 25 ARG H H 9.387 0.000 1 140 25 25 ARG HA H 4.759 0.000 1 141 25 25 ARG HB2 H 1.630 0.000 2 142 25 25 ARG HB3 H 1.585 0.000 2 143 25 25 ARG HD2 H 3.125 0.000 2 144 25 25 ARG HD3 H 3.117 0.000 2 145 25 25 ARG HG2 H 1.511 0.000 2 146 25 25 ARG HG3 H 1.388 0.000 2 147 25 25 ARG C C 173.658 0.000 1 148 25 25 ARG CA C 51.951 0.000 1 149 25 25 ARG CB C 34.837 0.000 1 150 25 25 ARG CD C 42.577 0.000 1 151 25 25 ARG CG C 27.872 0.000 1 152 25 25 ARG N N 124.501 0.000 1 153 26 26 LEU H H 8.604 0.000 1 154 26 26 LEU HA H 5.026 0.000 1 155 26 26 LEU HB2 H 1.310 0.003 2 156 26 26 LEU HB3 H 1.542 0.000 2 157 26 26 LEU HD1 H 0.789 0.002 1 158 26 26 LEU HD2 H 0.732 0.002 1 159 26 26 LEU HG H 1.443 0.006 1 160 26 26 LEU C C 175.888 0.000 1 161 26 26 LEU CA C 53.686 0.000 1 162 26 26 LEU CB C 42.765 0.000 1 163 26 26 LEU CD1 C 24.731 0.000 1 164 26 26 LEU CD2 C 23.869 0.000 1 165 26 26 LEU CG C 27.013 0.000 1 166 26 26 LEU N N 123.808 0.000 1 167 27 27 LEU H H 9.375 0.000 1 168 27 27 LEU HA H 4.756 0.000 1 169 27 27 LEU HB2 H 1.237 0.001 2 170 27 27 LEU HB3 H 1.290 0.000 2 171 27 27 LEU HD1 H 0.524 0.000 2 172 27 27 LEU HD2 H 0.688 0.000 2 173 27 27 LEU HG H 1.364 0.000 1 174 27 27 LEU CA C 50.885 0.000 1 175 27 27 LEU CB C 43.832 0.000 1 176 27 27 LEU CD1 C 27.150 0.000 1 177 27 27 LEU CD2 C 22.522 0.000 1 178 27 27 LEU CG C 26.507 0.000 1 179 27 27 LEU N N 125.907 0.000 1 180 28 28 PRO HA H 4.430 0.000 1 181 28 28 PRO HB2 H 2.298 0.000 2 182 28 28 PRO HB3 H 1.790 0.001 2 183 28 28 PRO HD2 H 3.725 0.005 2 184 28 28 PRO HD3 H 3.223 0.003 2 185 28 28 PRO HG2 H 1.849 0.001 2 186 28 28 PRO HG3 H 1.700 0.002 2 187 28 28 PRO C C 175.888 0.000 1 188 28 28 PRO CA C 62.777 0.000 1 189 28 28 PRO CB C 31.778 0.000 1 190 28 28 PRO CD C 49.757 0.000 1 191 28 28 PRO CG C 27.483 0.000 1 192 29 29 GLY H H 7.660 0.000 1 193 29 29 GLY HA2 H 4.032 0.008 2 194 29 29 GLY HA3 H 3.621 0.009 2 195 29 29 GLY CA C 43.521 0.000 1 196 29 29 GLY N N 104.672 0.000 1 197 30 30 PRO HA H 4.032 0.000 1 198 30 30 PRO HB2 H 2.551 0.000 2 199 30 30 PRO HB3 H 2.622 0.007 2 200 30 30 PRO HD2 H 3.511 0.005 2 201 30 30 PRO HD3 H 3.580 0.002 2 202 30 30 PRO HG2 H 1.694 0.004 2 203 30 30 PRO HG3 H 2.110 0.000 2 204 30 30 PRO C C 178.515 0.000 1 205 30 30 PRO CA C 61.614 0.000 1 206 30 30 PRO CB C 35.810 0.000 1 207 30 30 PRO CD C 50.278 0.000 1 208 30 30 PRO CG C 25.246 0.000 1 209 31 31 ILE H H 9.625 0.002 1 210 31 31 ILE HA H 3.900 0.003 1 211 31 31 ILE HB H 1.660 0.006 1 212 31 31 ILE HD1 H 0.712 0.000 1 213 31 31 ILE HG12 H 1.431 0.003 2 214 31 31 ILE HG13 H 1.454 0.003 2 215 31 31 ILE HG2 H 0.934 0.000 1 216 31 31 ILE C C 175.566 0.000 1 217 31 31 ILE CA C 66.584 0.000 1 218 31 31 ILE CB C 38.544 0.000 1 219 31 31 ILE CD1 C 14.472 0.000 1 220 31 31 ILE CG1 C 30.097 0.000 1 221 31 31 ILE CG2 C 16.072 0.000 1 222 31 31 ILE N N 123.677 0.000 1 223 32 32 GLU H H 9.339 0.003 1 224 32 32 GLU HA H 3.997 0.001 1 225 32 32 GLU HB2 H 2.049 0.000 2 226 32 32 GLU HB3 H 2.060 0.000 2 227 32 32 GLU HG2 H 2.159 0.000 2 228 32 32 GLU HG3 H 2.511 0.000 2 229 32 32 GLU C C 178.738 0.000 1 230 32 32 GLU CA C 60.961 0.000 1 231 32 32 GLU CB C 28.153 0.000 1 232 32 32 GLU CG C 37.170 0.000 1 233 32 32 GLU N N 119.974 0.000 1 234 33 33 ARG H H 7.329 0.001 1 235 33 33 ARG HA H 4.390 0.001 1 236 33 33 ARG HB2 H 1.854 0.000 2 237 33 33 ARG HB3 H 2.018 0.000 2 238 33 33 ARG HD2 H 3.152 0.000 2 239 33 33 ARG HD3 H 3.259 0.000 2 240 33 33 ARG HG2 H 1.873 0.000 2 241 33 33 ARG HG3 H 1.316 0.000 2 242 33 33 ARG C C 176.904 0.000 1 243 33 33 ARG CA C 58.742 0.000 1 244 33 33 ARG CB C 30.005 0.000 1 245 33 33 ARG CD C 43.965 0.000 1 246 33 33 ARG CG C 28.035 0.000 1 247 33 33 ARG N N 121.093 0.000 1 248 34 34 VAL H H 7.192 0.001 1 249 34 34 VAL HA H 3.291 0.000 1 250 34 34 VAL HB H 1.972 0.004 1 251 34 34 VAL HG1 H 0.693 0.003 2 252 34 34 VAL HG2 H 0.882 0.001 2 253 34 34 VAL C C 177.598 0.000 1 254 34 34 VAL CA C 67.324 0.000 1 255 34 34 VAL CB C 30.999 0.000 1 256 34 34 VAL CG1 C 22.574 0.000 1 257 34 34 VAL CG2 C 23.846 0.000 1 258 34 34 VAL N N 118.051 0.000 1 259 35 35 TRP H H 8.763 0.004 1 260 35 35 TRP HA H 3.967 0.001 1 261 35 35 TRP HB2 H 3.580 0.000 2 262 35 35 TRP HB3 H 3.080 0.000 2 263 35 35 TRP HD1 H 7.199 0.000 1 264 35 35 TRP HE1 H 10.255 0.003 1 265 35 35 TRP HE3 H 7.167 0.001 1 266 35 35 TRP HH2 H 7.182 0.001 1 267 35 35 TRP HZ2 H 7.167 0.000 1 268 35 35 TRP HZ3 H 6.464 0.000 1 269 35 35 TRP C C 177.400 0.000 1 270 35 35 TRP CA C 60.481 0.000 1 271 35 35 TRP CB C 29.014 0.000 1 272 35 35 TRP CD1 C 126.584 0.000 1 273 35 35 TRP CE3 C 120.500 0.000 1 274 35 35 TRP CH2 C 124.318 0.000 1 275 35 35 TRP CZ2 C 113.846 0.000 1 276 35 35 TRP CZ3 C 121.525 0.000 1 277 35 35 TRP N N 117.127 0.000 1 278 35 35 TRP NE1 N 129.913 0.000 1 279 36 36 ALA H H 7.549 0.002 1 280 36 36 ALA HA H 3.899 0.000 1 281 36 36 ALA HB H 1.683 0.001 1 282 36 36 ALA C C 179.110 0.000 1 283 36 36 ALA CA C 55.429 0.000 1 284 36 36 ALA CB C 18.035 0.000 1 285 36 36 ALA N N 119.790 0.000 1 286 37 37 TRP H H 7.813 0.002 1 287 37 37 TRP HA H 4.060 0.004 1 288 37 37 TRP HB2 H 3.029 0.000 1 289 37 37 TRP HB3 H 2.964 0.000 1 290 37 37 TRP HD1 H 7.769 0.000 1 291 37 37 TRP HE1 H 10.181 0.000 1 292 37 37 TRP HE3 H 6.860 0.000 1 293 37 37 TRP HH2 H 7.043 0.000 1 294 37 37 TRP HZ2 H 7.398 0.000 1 295 37 37 TRP HZ3 H 6.759 0.000 1 296 37 37 TRP C C 176.979 0.000 1 297 37 37 TRP CA C 60.711 0.000 1 298 37 37 TRP CB C 26.207 0.000 1 299 37 37 TRP CD1 C 127.191 0.000 1 300 37 37 TRP CE3 C 119.857 0.000 1 301 37 37 TRP CH2 C 123.041 0.000 1 302 37 37 TRP CZ2 C 113.347 0.000 1 303 37 37 TRP CZ3 C 120.098 0.000 1 304 37 37 TRP N N 115.607 0.000 1 305 37 37 TRP NE1 N 129.439 0.000 1 306 38 38 LEU H H 7.546 0.002 1 307 38 38 LEU HA H 4.239 0.003 1 308 38 38 LEU HB2 H 1.215 0.001 1 309 38 38 LEU HB3 H 0.678 0.004 1 310 38 38 LEU HD1 H 0.398 0.010 2 311 38 38 LEU HD2 H 0.224 0.004 2 312 38 38 LEU HG H 1.455 0.004 1 313 38 38 LEU C C 177.152 0.000 1 314 38 38 LEU CA C 56.670 0.000 1 315 38 38 LEU CB C 41.610 0.000 1 316 38 38 LEU CD1 C 24.838 0.000 1 317 38 38 LEU CD2 C 23.204 0.000 1 318 38 38 LEU CG C 26.643 0.000 1 319 38 38 LEU N N 118.074 0.000 1 320 39 39 ALA H H 8.080 0.005 1 321 39 39 ALA HA H 3.685 0.000 1 322 39 39 ALA HB H 0.692 0.002 1 323 39 39 ALA C C 178.614 0.000 1 324 39 39 ALA CA C 54.324 0.000 1 325 39 39 ALA CB C 19.517 0.000 1 326 39 39 ALA N N 119.178 0.000 1 327 40 40 ASP H H 8.837 0.000 1 328 40 40 ASP HA H 4.406 0.003 1 329 40 40 ASP HB2 H 2.733 0.000 2 330 40 40 ASP HB3 H 2.755 0.001 2 331 40 40 ASP C C 176.533 0.000 1 332 40 40 ASP CA C 54.467 0.000 1 333 40 40 ASP CB C 40.181 0.000 1 334 40 40 ASP N N 122.040 0.000 1 335 41 41 ALA H H 8.730 0.001 1 336 41 41 ALA HA H 3.593 0.003 1 337 41 41 ALA HB H 1.259 0.000 1 338 41 41 ALA C C 178.391 0.000 1 339 41 41 ALA CA C 56.192 0.000 1 340 41 41 ALA CB C 19.348 0.000 1 341 41 41 ALA N N 127.710 0.000 1 342 42 42 ASP H H 8.354 0.004 1 343 42 42 ASP HA H 4.114 0.004 1 344 42 42 ASP HB2 H 2.567 0.000 2 345 42 42 ASP HB3 H 2.491 0.003 2 346 42 42 ASP C C 177.995 0.000 1 347 42 42 ASP CA C 56.074 0.000 1 348 42 42 ASP CB C 39.819 0.000 1 349 42 42 ASP N N 113.544 0.000 1 350 43 43 LYS H H 7.083 0.001 1 351 43 43 LYS HA H 3.236 0.000 1 352 43 43 LYS HB2 H 0.476 0.004 2 353 43 43 LYS HB3 H 1.395 0.004 2 354 43 43 LYS HD2 H 0.991 0.004 2 355 43 43 LYS HD3 H 0.819 0.001 2 356 43 43 LYS HE2 H 2.931 0.002 2 357 43 43 LYS HE3 H 2.747 0.006 2 358 43 43 LYS HG2 H 1.077 0.000 2 359 43 43 LYS HG3 H 0.409 0.006 2 360 43 43 LYS C C 178.242 0.000 1 361 43 43 LYS CA C 58.118 0.000 1 362 43 43 LYS CB C 33.159 0.000 1 363 43 43 LYS CD C 28.257 0.000 1 364 43 43 LYS CE C 42.009 0.000 1 365 43 43 LYS CG C 25.109 0.000 1 366 43 43 LYS N N 119.322 0.000 1 367 44 44 ARG H H 8.654 0.000 1 368 44 44 ARG HA H 4.331 0.000 1 369 44 44 ARG HB2 H 1.424 0.005 1 370 44 44 ARG HB3 H 1.466 0.005 1 371 44 44 ARG HD2 H 2.988 0.000 2 372 44 44 ARG HD3 H 3.037 0.000 2 373 44 44 ARG HG2 H 1.599 0.000 2 374 44 44 ARG HG3 H 1.606 0.000 2 375 44 44 ARG C C 180.299 0.000 1 376 44 44 ARG CA C 57.679 0.000 1 377 44 44 ARG CB C 27.489 0.000 1 378 44 44 ARG CD C 42.577 0.000 1 379 44 44 ARG CG C 26.787 0.000 1 380 44 44 ARG N N 121.926 0.000 1 381 45 45 ALA H H 7.484 0.002 1 382 45 45 ALA HA H 3.289 0.000 1 383 45 45 ALA HB H 1.243 0.000 1 384 45 45 ALA C C 177.078 0.000 1 385 45 45 ALA CA C 53.392 0.000 1 386 45 45 ALA CB C 18.173 0.000 1 387 45 45 ALA N N 118.463 0.000 1 388 46 46 ARG H H 7.535 0.000 1 389 46 46 ARG HA H 4.206 0.000 1 390 46 46 ARG HB2 H 2.959 0.000 1 391 46 46 ARG HB3 H 2.437 0.000 1 392 46 46 ARG HD2 H 3.195 0.002 2 393 46 46 ARG HD3 H 3.195 0.002 2 394 46 46 ARG HG2 H 2.574 0.000 2 395 46 46 ARG HG3 H 2.567 0.000 2 396 46 46 ARG C C 176.434 0.000 1 397 46 46 ARG CA C 56.680 0.000 1 398 46 46 ARG CB C 31.237 0.000 1 399 46 46 ARG CD C 42.577 0.000 1 400 46 46 ARG CG C 26.787 0.000 1 401 46 46 ARG N N 112.368 0.000 1 402 47 47 TRP H H 7.445 0.000 1 403 47 47 TRP HA H 5.167 0.002 1 404 47 47 TRP HB2 H 2.776 0.002 1 405 47 47 TRP HB3 H 3.868 0.004 1 406 47 47 TRP HD1 H 7.791 0.000 1 407 47 47 TRP HE1 H 10.894 0.000 1 408 47 47 TRP HE3 H 7.876 0.003 1 409 47 47 TRP HH2 H 6.980 0.000 1 410 47 47 TRP HZ2 H 7.105 0.000 1 411 47 47 TRP HZ3 H 6.937 0.000 1 412 47 47 TRP C C 172.444 0.000 1 413 47 47 TRP CA C 57.390 0.000 1 414 47 47 TRP CB C 31.151 0.000 1 415 47 47 TRP CD1 C 127.438 0.000 1 416 47 47 TRP CE3 C 123.144 0.000 1 417 47 47 TRP CH2 C 123.598 0.000 1 418 47 47 TRP CZ2 C 114.088 0.000 1 419 47 47 TRP CZ3 C 120.003 0.000 1 420 47 47 TRP N N 112.292 0.000 1 421 47 47 TRP NE1 N 131.993 0.000 1 422 48 48 LEU H H 7.651 0.002 1 423 48 48 LEU HA H 3.947 0.000 1 424 48 48 LEU HB2 H -0.826 0.000 2 425 48 48 LEU HB3 H 0.113 0.000 2 426 48 48 LEU HD1 H 0.083 0.004 1 427 48 48 LEU HD2 H 0.539 0.004 1 428 48 48 LEU HG H 0.822 0.000 1 429 48 48 LEU C C 171.255 0.000 1 430 48 48 LEU CA C 56.568 0.000 1 431 48 48 LEU CB C 42.544 0.000 1 432 48 48 LEU CD1 C 21.436 0.000 1 433 48 48 LEU CD2 C 24.637 0.000 1 434 48 48 LEU CG C 26.247 0.000 1 435 48 48 LEU N N 124.522 0.000 1 436 49 49 ALA H H 6.131 0.003 1 437 49 49 ALA HA H 4.118 0.001 1 438 49 49 ALA HB H 0.090 0.006 1 439 49 49 ALA C C 177.053 0.000 1 440 49 49 ALA CA C 51.593 0.000 1 441 49 49 ALA CB C 21.890 0.000 1 442 49 49 ALA N N 116.496 0.000 1 443 50 50 GLY H H 8.233 0.001 1 444 50 50 GLY HA2 H 3.884 0.000 2 445 50 50 GLY HA3 H 4.341 0.001 2 446 50 50 GLY C C 173.361 0.000 1 447 50 50 GLY CA C 43.669 0.000 1 448 50 50 GLY N N 107.558 0.000 1 449 51 51 GLY H H 7.976 0.000 1 450 51 51 GLY HA2 H 3.484 0.000 2 451 51 51 GLY HA3 H 5.016 0.000 2 452 51 51 GLY C C 174.154 0.000 1 453 51 51 GLY CA C 43.237 0.000 1 454 51 51 GLY N N 107.874 0.000 1 455 52 52 GLU H H 8.807 0.000 1 456 52 52 GLU HA H 4.370 0.008 1 457 52 52 GLU HB2 H 1.968 0.000 2 458 52 52 GLU HB3 H 1.859 0.001 2 459 52 52 GLU HG2 H 2.290 0.001 2 460 52 52 GLU HG3 H 2.329 0.001 2 461 52 52 GLU C C 176.904 0.000 1 462 52 52 GLU CA C 56.130 0.000 1 463 52 52 GLU CB C 30.352 0.000 1 464 52 52 GLU CG C 35.487 0.000 1 465 52 52 GLU N N 125.971 0.000 1 466 53 53 LEU H H 8.814 0.000 1 467 53 53 LEU HA H 3.623 0.006 1 468 53 53 LEU HB2 H 1.505 0.001 1 469 53 53 LEU HB3 H 1.175 0.007 1 470 53 53 LEU HD1 H 0.733 0.001 1 471 53 53 LEU HD2 H 0.296 0.007 1 472 53 53 LEU HG H 1.540 0.000 1 473 53 53 LEU CA C 52.451 0.000 1 474 53 53 LEU CB C 40.930 0.000 1 475 53 53 LEU CD1 C 26.180 0.000 1 476 53 53 LEU CD2 C 23.192 0.000 1 477 53 53 LEU CG C 26.468 0.000 1 478 53 53 LEU N N 124.254 0.000 1 479 54 54 PRO HA H 4.692 0.000 1 480 54 54 PRO HB2 H 2.327 0.001 1 481 54 54 PRO HB3 H 2.340 0.006 1 482 54 54 PRO HD2 H 2.939 0.004 2 483 54 54 PRO HD3 H 2.698 0.000 2 484 54 54 PRO HG2 H 1.920 0.006 2 485 54 54 PRO HG3 H 1.756 0.010 2 486 54 54 PRO C C 174.600 0.000 1 487 54 54 PRO CA C 61.474 0.000 1 488 54 54 PRO CB C 31.683 0.000 1 489 54 54 PRO CD C 48.739 0.000 1 490 54 54 PRO CG C 26.617 0.000 1 491 55 55 ARG H H 8.247 0.000 1 492 55 55 ARG HA H 4.149 0.000 1 493 55 55 ARG HB2 H 1.960 0.000 2 494 55 55 ARG HB3 H 1.856 0.000 2 495 55 55 ARG HD2 H 3.238 0.000 2 496 55 55 ARG HD3 H 3.238 0.000 2 497 55 55 ARG HG2 H 1.784 0.000 2 498 55 55 ARG HG3 H 1.699 0.000 2 499 55 55 ARG C C 176.880 0.000 1 500 55 55 ARG CA C 57.171 0.000 1 501 55 55 ARG CB C 30.934 0.000 1 502 55 55 ARG CD C 42.911 0.000 1 503 55 55 ARG CG C 27.489 0.000 1 504 55 55 ARG N N 114.818 0.000 1 505 56 56 GLN H H 7.541 0.000 1 506 56 56 GLN HA H 4.993 0.000 1 507 56 56 GLN HB2 H 2.302 0.000 2 508 56 56 GLN HB3 H 2.310 0.000 2 509 56 56 GLN HE21 H 7.234 0.000 2 510 56 56 GLN HE22 H 7.134 0.000 2 511 56 56 GLN HG2 H 2.079 0.006 2 512 56 56 GLN HG3 H 1.829 0.008 2 513 56 56 GLN CA C 52.136 0.000 1 514 56 56 GLN CB C 33.032 0.000 1 515 56 56 GLN CG C 30.869 0.000 1 516 56 56 GLN N N 114.897 0.000 1 517 57 57 PRO HA H 3.977 0.003 1 518 57 57 PRO HB2 H 2.153 0.000 2 519 57 57 PRO HB3 H 1.895 0.000 2 520 57 57 PRO HD2 H 3.956 0.005 2 521 57 57 PRO HD3 H 3.709 0.005 2 522 57 57 PRO HG2 H 2.296 0.000 2 523 57 57 PRO HG3 H 1.661 0.000 2 524 57 57 PRO C C 176.409 0.000 1 525 57 57 PRO CA C 63.150 0.000 1 526 57 57 PRO CB C 31.903 0.000 1 527 57 57 PRO CD C 50.889 0.000 1 528 57 57 PRO CG C 28.321 0.000 1 529 58 58 GLY H H 9.497 0.003 1 530 58 58 GLY HA2 H 3.563 0.000 2 531 58 58 GLY HA3 H 4.450 0.001 2 532 58 58 GLY C C 174.253 0.000 1 533 58 58 GLY CA C 44.570 0.000 1 534 58 58 GLY N N 111.509 0.000 1 535 59 59 GLN H H 7.431 0.002 1 536 59 59 GLN HA H 4.663 0.000 1 537 59 59 GLN HB2 H 2.294 0.001 2 538 59 59 GLN HB3 H 2.248 0.002 2 539 59 59 GLN HE21 H 7.582 0.000 2 540 59 59 GLN HE22 H 6.825 0.000 2 541 59 59 GLN HG2 H 2.456 0.006 2 542 59 59 GLN HG3 H 2.548 0.006 2 543 59 59 GLN C C 175.839 0.000 1 544 59 59 GLN CA C 54.786 0.000 1 545 59 59 GLN CB C 30.577 0.000 1 546 59 59 GLN CG C 34.842 0.000 1 547 59 59 GLN N N 118.509 0.000 1 548 59 59 GLN NE2 N 111.681 0.000 1 549 60 60 THR H H 8.539 0.000 1 550 60 60 THR HA H 5.405 0.000 1 551 60 60 THR HB H 4.151 0.004 1 552 60 60 THR HG2 H 1.254 0.002 1 553 60 60 THR C C 173.956 0.000 1 554 60 60 THR CA C 61.016 0.000 1 555 60 60 THR CB C 70.861 0.000 1 556 60 60 THR CG2 C 21.368 0.000 1 557 60 60 THR N N 115.393 0.000 1 558 61 61 PHE H H 9.443 0.000 1 559 61 61 PHE HA H 5.046 0.000 1 560 61 61 PHE HB2 H 3.305 0.002 1 561 61 61 PHE HB3 H 3.091 0.000 1 562 61 61 PHE HD1 H 7.084 0.001 1 563 61 61 PHE HD2 H 7.084 0.001 1 564 61 61 PHE HE1 H 6.788 0.000 1 565 61 61 PHE HE2 H 6.788 0.000 1 566 61 61 PHE HZ H 6.983 0.000 1 567 61 61 PHE C C 171.899 0.000 1 568 61 61 PHE CA C 55.493 0.000 1 569 61 61 PHE CB C 40.068 0.000 1 570 61 61 PHE CD1 C 133.378 0.000 1 571 61 61 PHE CE1 C 129.591 0.000 1 572 61 61 PHE CZ C 131.345 0.000 1 573 61 61 PHE N N 119.830 0.000 1 574 62 62 GLU H H 8.127 0.000 1 575 62 62 GLU HA H 5.196 0.001 1 576 62 62 GLU HB2 H 1.923 0.000 2 577 62 62 GLU HB3 H 1.592 0.007 2 578 62 62 GLU HG2 H 1.913 0.000 2 579 62 62 GLU HG3 H 2.188 0.000 2 580 62 62 GLU C C 176.607 0.000 1 581 62 62 GLU CA C 54.220 0.000 1 582 62 62 GLU CB C 32.666 0.000 1 583 62 62 GLU CG C 36.526 0.000 1 584 62 62 GLU N N 117.709 0.000 1 585 63 63 LEU H H 8.644 0.003 1 586 63 63 LEU HA H 4.992 0.003 1 587 63 63 LEU HB2 H 0.438 0.002 2 588 63 63 LEU HB3 H 1.547 0.004 2 589 63 63 LEU HD1 H 0.089 0.004 2 590 63 63 LEU HD2 H 0.577 0.003 2 591 63 63 LEU HG H 1.091 0.003 1 592 63 63 LEU C C 175.764 0.000 1 593 63 63 LEU CA C 52.838 0.000 1 594 63 63 LEU CB C 43.265 0.000 1 595 63 63 LEU CD1 C 24.434 0.000 1 596 63 63 LEU CD2 C 24.207 0.000 1 597 63 63 LEU CG C 26.480 0.000 1 598 63 63 LEU N N 120.628 0.000 1 599 64 64 HIS H H 7.494 0.000 1 600 64 64 HIS HA H 4.864 0.000 1 601 64 64 HIS HB2 H 2.963 0.005 2 602 64 64 HIS HB3 H 2.436 0.001 2 603 64 64 HIS HD2 H 6.604 0.002 1 604 64 64 HIS HE1 H 8.146 0.002 1 605 64 64 HIS C C 175.145 0.000 1 606 64 64 HIS CA C 53.024 0.000 1 607 64 64 HIS CB C 31.223 0.000 1 608 64 64 HIS CD2 C 116.240 0.000 1 609 64 64 HIS CE1 C 135.527 0.000 1 610 64 64 HIS N N 120.830 0.000 1 611 65 65 PHE H H 9.499 0.002 1 612 65 65 PHE HA H 4.266 0.001 1 613 65 65 PHE HB2 H 3.258 0.003 2 614 65 65 PHE HB3 H 2.812 0.006 2 615 65 65 PHE HD1 H 7.006 0.004 1 616 65 65 PHE HD2 H 7.006 0.004 1 617 65 65 PHE HE1 H 6.820 0.006 1 618 65 65 PHE HE2 H 6.820 0.006 1 619 65 65 PHE HZ H 6.669 0.000 1 620 65 65 PHE C C 176.111 0.000 1 621 65 65 PHE CA C 58.649 0.000 1 622 65 65 PHE CB C 40.015 0.000 1 623 65 65 PHE CD1 C 132.216 0.000 1 624 65 65 PHE CE1 C 129.122 0.000 1 625 65 65 PHE CZ C 128.587 0.000 1 626 65 65 PHE N N 126.092 0.000 1 627 66 66 ASN H H 9.571 0.000 1 628 66 66 ASN HA H 4.799 0.000 1 629 66 66 ASN HB2 H 2.897 0.000 2 630 66 66 ASN HB3 H 2.690 0.001 2 631 66 66 ASN HD21 H 7.578 0.002 2 632 66 66 ASN HD22 H 6.772 0.004 2 633 66 66 ASN CA C 58.085 0.000 1 634 66 66 ASN CB C 9.258 0.000 1 635 66 66 ASN N N 121.271 0.000 1 636 66 66 ASN ND2 N 109.708 0.000 1 637 67 67 HIS H H 7.644 0.000 1 638 67 67 HIS HA H 3.934 0.000 1 639 67 67 HIS HB2 H 3.314 0.000 2 640 67 67 HIS HB3 H 2.683 0.000 2 641 67 67 HIS HD2 H 7.146 0.001 1 642 67 67 HIS HE1 H 8.146 0.002 1 643 67 67 HIS CA C 60.437 0.000 1 644 67 67 HIS CB C 31.163 0.000 1 645 67 67 HIS CD2 C 119.317 0.000 1 646 67 67 HIS CE1 C 135.527 0.000 1 647 67 67 HIS N N 118.874 0.000 1 648 68 68 ALA H H 8.901 0.001 1 649 68 68 ALA HA H 4.557 0.000 1 650 68 68 ALA HB H 1.636 0.002 1 651 68 68 ALA C C 177.871 0.000 1 652 68 68 ALA CA C 54.095 0.000 1 653 68 68 ALA CB C 18.723 0.000 1 654 68 68 ALA N N 120.719 0.000 1 655 69 69 ALA H H 7.528 0.000 1 656 69 69 ALA HA H 4.366 0.000 1 657 69 69 ALA HB H 1.422 0.000 1 658 69 69 ALA C C 176.830 0.000 1 659 69 69 ALA CA C 52.017 0.000 1 660 69 69 ALA CB C 47.049 0.000 1 661 69 69 ALA N N 116.408 0.000 1 662 70 70 LEU H H 7.641 0.000 1 663 70 70 LEU HA H 3.961 0.000 1 664 70 70 LEU HB2 H 1.680 0.000 1 665 70 70 LEU HB3 H 1.216 0.000 1 666 70 70 LEU HD1 H 0.278 0.002 1 667 70 70 LEU HD2 H 0.453 0.006 1 668 70 70 LEU HG H 1.650 0.000 1 669 70 70 LEU C C 176.310 0.000 1 670 70 70 LEU CA C 57.676 0.000 1 671 70 70 LEU CB C 43.540 0.000 1 672 70 70 LEU CD1 C 25.390 0.000 1 673 70 70 LEU CD2 C 22.736 0.000 1 674 70 70 LEU CG C 26.247 0.000 1 675 70 70 LEU N N 117.000 0.000 1 676 71 71 THR H H 7.644 0.000 1 677 71 71 THR HA H 4.772 0.000 1 678 71 71 THR HB H 4.494 0.000 1 679 71 71 THR HG2 H 1.390 0.001 1 680 71 71 THR C C 173.980 0.000 1 681 71 71 THR CA C 63.327 0.000 1 682 71 71 THR CB C 72.624 0.000 1 683 71 71 THR CG2 C 22.415 0.000 1 684 71 71 THR N N 106.156 0.000 1 685 72 72 ALA H H 7.781 0.000 1 686 72 72 ALA HA H 4.434 0.000 1 687 72 72 ALA HB H 1.491 0.000 1 688 72 72 ALA C C 179.655 0.000 1 689 72 72 ALA CA C 52.513 0.000 1 690 72 72 ALA CB C 18.663 0.000 1 691 72 72 ALA N N 120.930 0.000 1 692 73 73 GLU H H 8.282 0.000 1 693 73 73 GLU HA H 4.399 0.000 1 694 73 73 GLU HB2 H 2.351 0.000 2 695 73 73 GLU HB3 H 2.050 0.000 2 696 73 73 GLU HG2 H 2.478 0.000 2 697 73 73 GLU HG3 H 2.738 0.000 2 698 73 73 GLU CA C 56.471 0.000 1 699 73 73 GLU CB C 29.547 0.000 1 700 73 73 GLU CG C 36.358 0.000 1 701 73 73 GLU N N 121.463 0.000 1 702 74 74 THR H H 8.639 0.000 1 703 74 74 THR HA H 4.355 0.002 1 704 74 74 THR HB H 4.105 0.001 1 705 74 74 THR HG2 H 1.270 0.002 1 706 74 74 THR CA C 62.371 0.000 1 707 74 74 THR CB C 69.553 0.000 1 708 74 74 THR CG2 C 21.858 0.000 1 709 74 74 THR N N 123.123 0.000 1 710 75 75 ALA H H 8.636 0.001 1 711 75 75 ALA HA H 2.964 0.003 1 712 75 75 ALA HB H 0.397 0.005 1 713 75 75 ALA CA C 50.353 0.000 1 714 75 75 ALA CB C 16.756 0.000 1 715 75 75 ALA N N 129.383 0.000 1 716 76 76 PRO HA H 4.508 0.000 1 717 76 76 PRO HB2 H 1.989 0.004 2 718 76 76 PRO HB3 H 2.348 0.002 2 719 76 76 PRO HD2 H 2.973 0.001 2 720 76 76 PRO HD3 H 3.686 0.004 2 721 76 76 PRO HG2 H 1.867 0.000 2 722 76 76 PRO HG3 H 2.213 0.006 2 723 76 76 PRO C C 176.780 0.000 1 724 76 76 PRO CA C 61.506 0.000 1 725 76 76 PRO CB C 32.333 0.000 1 726 76 76 PRO CD C 50.470 0.000 1 727 76 76 PRO CG C 27.221 0.000 1 728 77 77 ALA H H 8.505 0.000 1 729 77 77 ALA HA H 3.926 0.006 1 730 77 77 ALA HB H 1.352 0.000 1 731 77 77 ALA C C 180.150 0.000 1 732 77 77 ALA CA C 55.394 0.000 1 733 77 77 ALA CB C 17.948 0.000 1 734 77 77 ALA N N 123.974 0.000 1 735 78 78 ARG H H 8.221 0.000 1 736 78 78 ARG HA H 3.980 0.000 1 737 78 78 ARG HB2 H 1.720 0.000 2 738 78 78 ARG HB3 H 1.238 0.002 2 739 78 78 ARG HD2 H 2.893 0.000 2 740 78 78 ARG HD3 H 2.824 0.005 2 741 78 78 ARG HG2 H 0.704 0.004 2 742 78 78 ARG HG3 H 0.924 0.000 2 743 78 78 ARG C C 176.012 0.000 1 744 78 78 ARG CA C 57.691 0.000 1 745 78 78 ARG CB C 29.564 0.000 1 746 78 78 ARG CD C 43.146 0.000 1 747 78 78 ARG CG C 25.807 0.000 1 748 78 78 ARG N N 114.680 0.000 1 749 79 79 TYR H H 7.559 0.002 1 750 79 79 TYR HA H 4.928 0.003 1 751 79 79 TYR HB2 H 3.330 0.002 2 752 79 79 TYR HB3 H 1.707 0.002 2 753 79 79 TYR HD1 H 6.939 0.006 1 754 79 79 TYR HD2 H 6.939 0.006 1 755 79 79 TYR HE1 H 6.922 0.003 1 756 79 79 TYR HE2 H 6.922 0.003 1 757 79 79 TYR C C 175.393 0.000 1 758 79 79 TYR CA C 56.335 0.000 1 759 79 79 TYR CB C 39.398 0.000 1 760 79 79 TYR CD1 C 132.278 0.000 1 761 79 79 TYR CE1 C 117.996 0.000 1 762 79 79 TYR N N 117.603 0.000 1 763 80 80 ALA H H 7.226 0.003 1 764 80 80 ALA HA H 3.827 0.003 1 765 80 80 ALA HB H 1.390 0.009 1 766 80 80 ALA C C 179.432 0.000 1 767 80 80 ALA CA C 55.274 0.000 1 768 80 80 ALA CB C 18.598 0.000 1 769 80 80 ALA N N 122.472 0.000 1 770 81 81 GLN H H 9.003 0.000 1 771 81 81 GLN HA H 4.056 0.003 1 772 81 81 GLN HB2 H 1.832 0.000 2 773 81 81 GLN HB3 H 1.727 0.000 2 774 81 81 GLN HE21 H 7.223 0.000 2 775 81 81 GLN HE22 H 6.875 0.000 2 776 81 81 GLN HG2 H 1.596 0.000 2 777 81 81 GLN HG3 H 1.716 0.002 2 778 81 81 GLN C C 176.186 0.000 1 779 81 81 GLN CA C 57.412 0.000 1 780 81 81 GLN CB C 27.205 0.000 1 781 81 81 GLN CG C 32.601 0.000 1 782 81 81 GLN N N 115.930 0.000 1 783 81 81 GLN NE2 N 111.681 0.000 1 784 82 82 TYR H H 7.909 0.001 1 785 82 82 TYR HA H 4.742 0.004 1 786 82 82 TYR HB2 H 2.980 0.000 1 787 82 82 TYR HB3 H 3.501 0.000 1 788 82 82 TYR HD1 H 7.007 0.003 1 789 82 82 TYR HD2 H 7.007 0.003 1 790 82 82 TYR HE1 H 6.808 0.002 1 791 82 82 TYR HE2 H 6.808 0.002 1 792 82 82 TYR C C 175.195 0.000 1 793 82 82 TYR CA C 56.673 0.000 1 794 82 82 TYR CB C 38.542 0.000 1 795 82 82 TYR CD1 C 132.444 0.000 1 796 82 82 TYR CE1 C 118.046 0.000 1 797 82 82 TYR N N 118.239 0.000 1 798 83 83 ASP H H 7.670 0.003 1 799 83 83 ASP HA H 4.852 0.000 1 800 83 83 ASP HB2 H 2.378 0.004 2 801 83 83 ASP HB3 H 2.731 0.004 2 802 83 83 ASP C C 175.120 0.000 1 803 83 83 ASP CA C 53.429 0.000 1 804 83 83 ASP CB C 40.819 0.000 1 805 83 83 ASP N N 121.020 0.000 1 806 84 84 ARG H H 7.732 0.000 1 807 84 84 ARG HA H 4.752 0.000 1 808 84 84 ARG HB2 H 1.519 0.000 2 809 84 84 ARG HB3 H 1.515 0.000 2 810 84 84 ARG HD2 H 3.154 0.000 2 811 84 84 ARG HD3 H 3.153 0.000 2 812 84 84 ARG HG2 H 1.937 0.000 2 813 84 84 ARG HG3 H 1.717 0.000 2 814 84 84 ARG CA C 52.591 0.000 1 815 84 84 ARG CB C 25.642 0.000 1 816 84 84 ARG CD C 43.343 0.000 1 817 84 84 ARG CG C 29.805 0.000 1 818 84 84 ARG N N 117.620 0.000 1 819 85 85 PRO HA H 4.884 0.000 1 820 85 85 PRO HB2 H 2.366 0.000 2 821 85 85 PRO HB3 H 1.871 0.000 2 822 85 85 PRO HD2 H 3.864 0.002 2 823 85 85 PRO HD3 H 3.591 0.003 2 824 85 85 PRO HG2 H 1.896 0.000 2 825 85 85 PRO HG3 H 2.109 0.000 2 826 85 85 PRO C C 176.904 0.000 1 827 85 85 PRO CA C 63.427 0.000 1 828 85 85 PRO CB C 31.937 0.000 1 829 85 85 PRO CD C 50.413 0.000 1 830 85 85 PRO CG C 27.775 0.000 1 831 86 86 ILE H H 8.308 0.001 1 832 86 86 ILE HA H 4.350 0.002 1 833 86 86 ILE HB H 1.720 0.004 1 834 86 86 ILE HD1 H 0.927 0.002 1 835 86 86 ILE HG12 H 1.033 0.000 2 836 86 86 ILE HG13 H 1.754 0.000 2 837 86 86 ILE HG2 H 0.836 0.006 1 838 86 86 ILE C C 174.104 0.000 1 839 86 86 ILE CA C 60.711 0.000 1 840 86 86 ILE CB C 42.782 0.000 1 841 86 86 ILE CD1 C 13.936 0.000 1 842 86 86 ILE CG1 C 27.477 0.000 1 843 86 86 ILE CG2 C 17.175 0.000 1 844 86 86 ILE N N 124.132 0.000 1 845 87 87 VAL H H 8.435 0.000 1 846 87 87 VAL HA H 4.797 0.006 1 847 87 87 VAL HB H 1.784 0.000 1 848 87 87 VAL HG1 H 0.558 0.006 2 849 87 87 VAL HG2 H 0.661 0.006 2 850 87 87 VAL C C 174.947 0.000 1 851 87 87 VAL CA C 61.957 0.000 1 852 87 87 VAL CB C 32.874 0.000 1 853 87 87 VAL CG1 C 20.787 0.000 1 854 87 87 VAL CG2 C 20.857 0.000 1 855 87 87 VAL N N 127.070 0.000 1 856 88 88 ALA H H 8.856 0.001 1 857 88 88 ALA HA H 4.636 0.000 1 858 88 88 ALA HB H 1.326 0.005 1 859 88 88 ALA C C 175.095 0.000 1 860 88 88 ALA CA C 50.306 0.000 1 861 88 88 ALA CB C 23.595 0.000 1 862 88 88 ALA N N 131.295 0.000 1 863 89 89 ARG H H 8.174 0.000 1 864 89 89 ARG HA H 4.705 0.002 1 865 89 89 ARG HB2 H 1.543 0.001 1 866 89 89 ARG HB3 H 1.522 0.001 1 867 89 89 ARG HD2 H 3.085 0.001 2 868 89 89 ARG HD3 H 3.078 0.001 2 869 89 89 ARG HG2 H 1.415 0.006 2 870 89 89 ARG HG3 H 1.521 0.000 2 871 89 89 ARG C C 175.343 0.000 1 872 89 89 ARG CA C 55.023 0.000 1 873 89 89 ARG CB C 31.443 0.000 1 874 89 89 ARG CD C 43.122 0.000 1 875 89 89 ARG CG C 27.699 0.000 1 876 89 89 ARG N N 120.897 0.000 1 877 90 90 HIS H H 8.558 0.000 1 878 90 90 HIS HA H 4.748 0.000 1 879 90 90 HIS HB2 H 2.585 0.000 2 880 90 90 HIS HB3 H 1.366 0.000 2 881 90 90 HIS HD2 H 6.198 0.000 1 882 90 90 HIS HE1 H 8.146 0.002 1 883 90 90 HIS C C 172.568 0.000 1 884 90 90 HIS CA C 54.786 0.000 1 885 90 90 HIS CB C 33.752 0.000 1 886 90 90 HIS CD2 C 119.317 0.000 1 887 90 90 HIS CE1 C 135.527 0.000 1 888 90 90 HIS N N 123.367 0.000 1 889 91 91 THR H H 8.562 0.000 1 890 91 91 THR HA H 4.839 0.006 1 891 91 91 THR HB H 4.047 0.002 1 892 91 91 THR HG2 H 1.040 0.000 1 893 91 91 THR C C 175.318 0.000 1 894 91 91 THR CA C 61.827 0.000 1 895 91 91 THR CB C 69.722 0.000 1 896 91 91 THR CG2 C 21.057 0.000 1 897 91 91 THR N N 115.512 0.000 1 898 92 92 LEU H H 8.623 0.000 1 899 92 92 LEU HA H 4.603 0.006 1 900 92 92 LEU HB2 H 2.182 0.000 2 901 92 92 LEU HB3 H 1.306 0.001 2 902 92 92 LEU HD1 H 0.669 0.001 2 903 92 92 LEU HD2 H 1.082 0.002 2 904 92 92 LEU HG H 1.503 0.000 1 905 92 92 LEU C C 174.625 0.000 1 906 92 92 LEU CA C 55.407 0.000 1 907 92 92 LEU CB C 42.981 0.000 1 908 92 92 LEU CD1 C 25.234 0.000 1 909 92 92 LEU CD2 C 24.124 0.000 1 910 92 92 LEU CG C 26.247 0.000 1 911 92 92 LEU N N 127.026 0.000 1 912 93 93 LEU H H 9.148 0.001 1 913 93 93 LEU HA H 4.759 0.002 1 914 93 93 LEU HB2 H 1.724 0.000 2 915 93 93 LEU HB3 H 1.565 0.000 2 916 93 93 LEU HD1 H 0.796 0.000 2 917 93 93 LEU HD2 H 1.090 0.000 2 918 93 93 LEU HG H 1.606 0.002 1 919 93 93 LEU C C 177.251 0.000 1 920 93 93 LEU CA C 55.182 0.000 1 921 93 93 LEU CB C 43.201 0.000 1 922 93 93 LEU CD1 C 25.398 0.000 1 923 93 93 LEU CD2 C 24.083 0.000 1 924 93 93 LEU CG C 26.247 0.000 1 925 93 93 LEU N N 128.730 0.000 1 926 94 94 ARG H H 7.943 0.001 1 927 94 94 ARG HA H 4.638 0.002 1 928 94 94 ARG HB2 H 1.868 0.007 2 929 94 94 ARG HB3 H 1.556 0.000 2 930 94 94 ARG HD2 H 3.225 0.003 2 931 94 94 ARG HD3 H 2.769 0.003 2 932 94 94 ARG HG2 H 1.627 0.000 2 933 94 94 ARG HG3 H 1.618 0.000 2 934 94 94 ARG C C 174.972 0.000 1 935 94 94 ARG CA C 55.586 0.000 1 936 94 94 ARG CB C 36.115 0.000 1 937 94 94 ARG CD C 44.163 0.000 1 938 94 94 ARG CG C 26.491 0.000 1 939 94 94 ARG N N 115.038 0.000 1 940 95 95 CYS H H 9.539 0.000 1 941 95 95 CYS HA H 5.046 0.002 1 942 95 95 CYS HB2 H 2.806 0.006 2 943 95 95 CYS HB3 H 3.014 0.003 2 944 95 95 CYS C C 172.271 0.000 1 945 95 95 CYS CA C 59.377 0.000 1 946 95 95 CYS CB C 27.238 0.000 1 947 95 95 CYS N N 124.779 0.000 1 948 96 96 GLU H H 9.512 0.004 1 949 96 96 GLU HA H 4.910 0.000 1 950 96 96 GLU HB2 H 2.009 0.000 1 951 96 96 GLU HB3 H 1.968 0.000 1 952 96 96 GLU HG2 H 2.033 0.000 2 953 96 96 GLU HG3 H 2.332 0.004 2 954 96 96 GLU CA C 52.010 0.000 1 955 96 96 GLU CB C 29.865 0.000 1 956 96 96 GLU CG C 34.655 0.000 1 957 96 96 GLU N N 129.049 0.000 1 958 97 97 PRO HA H 2.273 0.000 1 959 97 97 PRO HB2 H 1.280 0.003 1 960 97 97 PRO HB3 H 1.401 0.004 1 961 97 97 PRO HD2 H 3.640 0.000 2 962 97 97 PRO HD3 H 3.633 0.000 2 963 97 97 PRO HG2 H 1.961 0.004 2 964 97 97 PRO HG3 H 1.943 0.004 2 965 97 97 PRO CA C 60.567 0.000 1 966 97 97 PRO CB C 30.545 0.000 1 967 97 97 PRO CD C 50.357 0.000 1 968 97 97 PRO CG C 27.142 0.000 1 969 98 98 PRO HA H 2.919 0.005 1 970 98 98 PRO HB2 H 1.493 0.000 2 971 98 98 PRO HB3 H 2.381 0.000 2 972 98 98 PRO HD2 H 3.283 0.000 2 973 98 98 PRO HD3 H 3.164 0.000 2 974 98 98 PRO HG2 H 1.838 0.000 2 975 98 98 PRO HG3 H 1.315 0.000 2 976 98 98 PRO C C 171.676 0.000 1 977 98 98 PRO CA C 63.849 0.000 1 978 98 98 PRO CB C 30.557 0.000 1 979 98 98 PRO CD C 48.863 0.000 1 980 98 98 PRO CG C 23.788 0.000 1 981 99 99 ARG H H 7.724 0.001 1 982 99 99 ARG HA H 4.770 0.000 1 983 99 99 ARG HB2 H 2.023 0.006 2 984 99 99 ARG HB3 H 1.777 0.000 2 985 99 99 ARG HD2 H 3.234 0.002 2 986 99 99 ARG HD3 H 3.123 0.005 2 987 99 99 ARG HG2 H 1.443 0.003 2 988 99 99 ARG HG3 H 1.325 0.000 2 989 99 99 ARG C C 175.963 0.000 1 990 99 99 ARG CA C 57.882 0.000 1 991 99 99 ARG CB C 34.526 0.000 1 992 99 99 ARG CD C 42.577 0.000 1 993 99 99 ARG CG C 28.248 0.000 1 994 99 99 ARG N N 114.476 0.000 1 995 100 100 VAL H H 7.484 0.001 1 996 100 100 VAL HA H 5.373 0.000 1 997 100 100 VAL HB H 1.830 0.002 1 998 100 100 VAL HG1 H 0.788 0.007 2 999 100 100 VAL HG2 H 1.012 0.000 2 1000 100 100 VAL C C 174.055 0.000 1 1001 100 100 VAL CA C 61.321 0.000 1 1002 100 100 VAL CB C 36.638 0.000 1 1003 100 100 VAL CG1 C 21.461 0.000 1 1004 100 100 VAL CG2 C 21.875 0.000 1 1005 100 100 VAL N N 117.480 0.000 1 1006 101 101 LEU H H 8.948 0.002 1 1007 101 101 LEU HA H 5.141 0.002 1 1008 101 101 LEU HB2 H 1.711 0.000 2 1009 101 101 LEU HB3 H 1.792 0.004 2 1010 101 101 LEU HD1 H 1.090 0.009 1 1011 101 101 LEU HD2 H 0.395 0.000 1 1012 101 101 LEU HG H 1.490 0.000 1 1013 101 101 LEU C C 173.832 0.000 1 1014 101 101 LEU CA C 54.029 0.000 1 1015 101 101 LEU CB C 46.476 0.000 1 1016 101 101 LEU CD1 C 24.174 0.000 1 1017 101 101 LEU CD2 C 25.426 0.000 1 1018 101 101 LEU CG C 28.047 0.000 1 1019 101 101 LEU N N 129.636 0.000 1 1020 102 102 ALA H H 9.282 0.000 1 1021 102 102 ALA HA H 6.175 0.000 1 1022 102 102 ALA HB H 1.529 0.000 1 1023 102 102 ALA C C 176.458 0.000 1 1024 102 102 ALA CA C 50.836 0.000 1 1025 102 102 ALA CB C 23.957 0.000 1 1026 102 102 ALA N N 127.700 0.000 1 1027 103 103 LEU H H 9.514 0.002 1 1028 103 103 LEU HA H 5.599 0.001 1 1029 103 103 LEU HB2 H 2.162 0.001 2 1030 103 103 LEU HB3 H 2.219 0.000 2 1031 103 103 LEU HD1 H 0.787 0.001 1 1032 103 103 LEU HD2 H 1.141 0.000 1 1033 103 103 LEU HG H 2.154 0.000 1 1034 103 103 LEU C C 175.318 0.000 1 1035 103 103 LEU CA C 54.698 0.000 1 1036 103 103 LEU CB C 45.430 0.000 1 1037 103 103 LEU CD1 C 25.248 0.000 1 1038 103 103 LEU CD2 C 26.404 0.000 1 1039 103 103 LEU CG C 26.632 0.000 1 1040 103 103 LEU N N 121.020 0.000 1 1041 104 104 THR H H 8.482 0.001 1 1042 104 104 THR HA H 5.135 0.000 1 1043 104 104 THR HB H 4.729 0.013 1 1044 104 104 THR HG2 H 1.514 0.000 1 1045 104 104 THR C C 178.168 0.000 1 1046 104 104 THR CA C 62.156 0.000 1 1047 104 104 THR CB C 70.714 0.000 1 1048 104 104 THR CG2 C 22.888 0.000 1 1049 104 104 THR N N 109.656 0.000 1 1050 105 105 TRP H H 8.624 0.000 1 1051 105 105 TRP HA H 4.512 0.000 1 1052 105 105 TRP HB2 H 3.619 0.001 2 1053 105 105 TRP HB3 H 2.983 0.000 2 1054 105 105 TRP HD1 H 7.334 0.005 1 1055 105 105 TRP HE1 H 10.362 0.000 1 1056 105 105 TRP HE3 H 7.783 0.001 1 1057 105 105 TRP HH2 H 6.863 0.001 1 1058 105 105 TRP HZ2 H 7.232 0.003 1 1059 105 105 TRP HZ3 H 6.841 0.001 1 1060 105 105 TRP C C 174.649 0.000 1 1061 105 105 TRP CA C 57.689 0.000 1 1062 105 105 TRP CB C 32.724 0.000 1 1063 105 105 TRP CD1 C 126.982 0.000 1 1064 105 105 TRP CE3 C 120.720 0.000 1 1065 105 105 TRP CH2 C 124.369 0.000 1 1066 105 105 TRP CZ2 C 114.462 0.000 1 1067 105 105 TRP CZ3 C 120.658 0.000 1 1068 105 105 TRP N N 122.286 0.000 1 1069 105 105 TRP NE1 N 130.386 0.000 1 1070 106 106 GLY H H 7.549 0.000 1 1071 106 106 GLY HA2 H 3.885 0.000 2 1072 106 106 GLY HA3 H 4.145 0.000 2 1073 106 106 GLY C C 174.972 0.000 1 1074 106 106 GLY CA C 45.155 0.000 1 1075 106 106 GLY N N 112.510 0.000 1 1076 107 107 GLY H H 8.552 0.000 1 1077 107 107 GLY HA2 H 4.137 0.000 2 1078 107 107 GLY HA3 H 3.812 0.001 2 1079 107 107 GLY C C 174.749 0.000 1 1080 107 107 GLY CA C 45.070 0.000 1 1081 107 107 GLY N N 108.725 0.000 1 1082 108 108 GLY H H 8.382 0.000 1 1083 108 108 GLY HA2 H 3.993 0.000 2 1084 108 108 GLY HA3 H 4.131 0.000 2 1085 108 108 GLY C C 173.658 0.000 1 1086 108 108 GLY CA C 44.807 0.000 1 1087 108 108 GLY N N 107.982 0.000 1 1088 109 109 ALA H H 8.601 0.000 1 1089 109 109 ALA HA H 4.311 0.000 1 1090 109 109 ALA HB H 1.348 0.000 1 1091 109 109 ALA C C 178.218 0.000 1 1092 109 109 ALA CA C 52.253 0.000 1 1093 109 109 ALA CB C 18.246 0.000 1 1094 109 109 ALA N N 123.388 0.000 1 1095 110 110 GLY H H 8.500 0.000 1 1096 110 110 GLY HA2 H 3.750 0.000 2 1097 110 110 GLY HA3 H 4.026 0.000 2 1098 110 110 GLY C C 174.278 0.000 1 1099 110 110 GLY CA C 45.834 0.000 1 1100 110 110 GLY N N 109.538 0.000 1 1101 111 111 GLU H H 8.459 0.000 1 1102 111 111 GLU HA H 4.407 0.000 1 1103 111 111 GLU HB2 H 1.932 0.000 1 1104 111 111 GLU HB3 H 2.071 0.000 1 1105 111 111 GLU HG2 H 2.251 0.000 2 1106 111 111 GLU HG3 H 2.274 0.000 2 1107 111 111 GLU C C 175.492 0.000 1 1108 111 111 GLU CA C 55.200 0.000 1 1109 111 111 GLU CB C 30.477 0.000 1 1110 111 111 GLU CG C 36.129 0.000 1 1111 111 111 GLU N N 121.906 0.000 1 1112 112 112 ALA H H 8.406 0.000 1 1113 112 112 ALA HA H 4.672 0.005 1 1114 112 112 ALA HB H 1.458 0.000 1 1115 112 112 ALA CA C 50.214 0.000 1 1116 112 112 ALA CB C 18.044 0.000 1 1117 112 112 ALA N N 126.425 0.000 1 1118 113 113 PRO HA H 4.753 0.000 1 1119 113 113 PRO HB2 H 2.389 0.003 2 1120 113 113 PRO HB3 H 2.390 0.000 2 1121 113 113 PRO HD2 H 3.773 0.005 2 1122 113 113 PRO HD3 H 3.948 0.003 2 1123 113 113 PRO HG2 H 2.123 0.000 2 1124 113 113 PRO HG3 H 2.123 0.000 2 1125 113 113 PRO C C 177.573 0.000 1 1126 113 113 PRO CA C 62.478 0.000 1 1127 113 113 PRO CB C 32.795 0.000 1 1128 113 113 PRO CD C 50.457 0.000 1 1129 113 113 PRO CG C 26.935 0.000 1 1130 114 114 SER H H 8.981 0.000 1 1131 114 114 SER HA H 4.961 0.000 1 1132 114 114 SER HB2 H 3.944 0.005 2 1133 114 114 SER HB3 H 3.936 0.007 2 1134 114 114 SER C C 173.708 0.000 1 1135 114 114 SER CA C 57.780 0.000 1 1136 114 114 SER CB C 64.342 0.000 1 1137 114 114 SER N N 116.615 0.000 1 1138 115 115 GLU H H 8.407 0.004 1 1139 115 115 GLU HA H 4.988 0.003 1 1140 115 115 GLU HB2 H 2.011 0.008 2 1141 115 115 GLU HB3 H 2.001 0.004 2 1142 115 115 GLU HG2 H 1.855 0.003 2 1143 115 115 GLU HG3 H 1.762 0.000 2 1144 115 115 GLU C C 172.568 0.000 1 1145 115 115 GLU CA C 56.383 0.000 1 1146 115 115 GLU CB C 36.665 0.000 1 1147 115 115 GLU CG C 33.606 0.000 1 1148 115 115 GLU N N 117.726 0.000 1 1149 116 116 VAL H H 9.070 0.000 1 1150 116 116 VAL HA H 4.308 0.004 1 1151 116 116 VAL HB H 1.374 0.000 1 1152 116 116 VAL HG1 H 0.369 0.000 1 1153 116 116 VAL HG2 H -0.025 0.006 1 1154 116 116 VAL C C 172.048 0.000 1 1155 116 116 VAL CA C 60.453 0.000 1 1156 116 116 VAL CB C 34.233 0.000 1 1157 116 116 VAL CG1 C 20.857 0.000 1 1158 116 116 VAL CG2 C 21.212 0.000 1 1159 116 116 VAL N N 122.289 0.000 1 1160 117 117 LEU H H 8.234 0.001 1 1161 117 117 LEU HA H 5.016 0.000 1 1162 117 117 LEU HB2 H 1.855 0.004 2 1163 117 117 LEU HB3 H 1.395 0.002 2 1164 117 117 LEU HD1 H 0.902 0.000 1 1165 117 117 LEU HD2 H 0.778 0.000 1 1166 117 117 LEU HG H 1.453 0.000 1 1167 117 117 LEU C C 174.179 0.000 1 1168 117 117 LEU CA C 53.611 0.000 1 1169 117 117 LEU CB C 45.607 0.000 1 1170 117 117 LEU CD1 C 24.505 0.000 1 1171 117 117 LEU CD2 C 26.371 0.000 1 1172 117 117 LEU CG C 28.004 0.000 1 1173 117 117 LEU N N 128.783 0.000 1 1174 118 118 PHE H H 9.761 0.001 1 1175 118 118 PHE HA H 5.078 0.005 1 1176 118 118 PHE HB2 H 3.262 0.003 1 1177 118 118 PHE HB3 H 2.487 0.000 1 1178 118 118 PHE HD1 H 6.955 0.001 1 1179 118 118 PHE HD2 H 6.955 0.001 1 1180 118 118 PHE HE1 H 6.859 0.000 1 1181 118 118 PHE HE2 H 6.859 0.000 1 1182 118 118 PHE HZ H 6.937 0.001 1 1183 118 118 PHE C C 174.773 0.000 1 1184 118 118 PHE CA C 56.562 0.000 1 1185 118 118 PHE CB C 41.416 0.000 1 1186 118 118 PHE CD1 C 131.496 0.000 1 1187 118 118 PHE CE1 C 130.200 0.000 1 1188 118 118 PHE CZ C 128.670 0.000 1 1189 118 118 PHE N N 124.339 0.000 1 1190 119 119 GLU H H 9.015 0.002 1 1191 119 119 GLU HA H 5.372 0.001 1 1192 119 119 GLU HB2 H 1.922 0.001 2 1193 119 119 GLU HB3 H 2.017 0.002 2 1194 119 119 GLU HG2 H 2.136 0.001 2 1195 119 119 GLU HG3 H 2.136 0.002 2 1196 119 119 GLU C C 175.864 0.000 1 1197 119 119 GLU CA C 54.593 0.000 1 1198 119 119 GLU CB C 34.149 0.000 1 1199 119 119 GLU CG C 37.692 0.000 1 1200 119 119 GLU N N 119.538 0.000 1 1201 120 120 LEU H H 9.669 0.000 1 1202 120 120 LEU HA H 5.683 0.000 1 1203 120 120 LEU HB2 H 1.287 0.000 2 1204 120 120 LEU HB3 H 2.379 0.000 2 1205 120 120 LEU HD1 H 1.116 0.002 1 1206 120 120 LEU HD2 H 0.885 0.002 1 1207 120 120 LEU HG H 1.693 0.000 1 1208 120 120 LEU C C 176.904 0.000 1 1209 120 120 LEU CA C 53.379 0.000 1 1210 120 120 LEU CB C 44.393 0.000 1 1211 120 120 LEU CD1 C 25.194 0.000 1 1212 120 120 LEU CD2 C 25.008 0.000 1 1213 120 120 LEU CG C 27.941 0.000 1 1214 120 120 LEU N N 125.498 0.000 1 1215 121 121 SER H H 8.673 0.000 1 1216 121 121 SER HA H 4.564 0.001 1 1217 121 121 SER HB2 H 3.902 0.000 2 1218 121 121 SER HB3 H 3.770 0.000 2 1219 121 121 SER C C 173.039 0.000 1 1220 121 121 SER CA C 57.196 0.000 1 1221 121 121 SER CB C 65.307 0.000 1 1222 121 121 SER N N 112.826 0.000 1 1223 122 122 GLU H H 9.406 0.000 1 1224 122 122 GLU HA H 4.524 0.006 1 1225 122 122 GLU HB2 H 2.266 0.000 2 1226 122 122 GLU HB3 H 2.316 0.001 2 1227 122 122 GLU HG2 H 2.026 0.001 2 1228 122 122 GLU HG3 H 2.139 0.005 2 1229 122 122 GLU C C 176.557 0.000 1 1230 122 122 GLU CA C 62.732 0.000 1 1231 122 122 GLU CB C 37.820 0.000 1 1232 122 122 GLU CG C 31.228 0.000 1 1233 122 122 GLU N N 122.879 0.000 1 1234 123 123 ALA H H 8.375 0.000 1 1235 123 123 ALA HA H 4.508 0.003 1 1236 123 123 ALA HB H 1.100 0.000 1 1237 123 123 ALA C C 174.228 0.000 1 1238 123 123 ALA CA C 59.283 0.000 1 1239 123 123 ALA CB C 19.965 0.000 1 1240 123 123 ALA N N 119.317 0.000 1 1241 124 124 GLY H H 8.941 0.000 1 1242 124 124 GLY HA2 H 3.673 0.004 2 1243 124 124 GLY HA3 H 3.999 0.005 2 1244 124 124 GLY C C 175.269 0.000 1 1245 124 124 GLY CA C 46.944 0.000 1 1246 124 124 GLY N N 118.488 0.000 1 1247 125 125 GLU H H 8.997 0.000 1 1248 125 125 GLU HA H 4.422 0.000 1 1249 125 125 GLU HB2 H 2.276 0.000 2 1250 125 125 GLU HB3 H 1.902 0.000 2 1251 125 125 GLU HG2 H 2.292 0.000 2 1252 125 125 GLU HG3 H 2.269 0.000 2 1253 125 125 GLU C C 176.211 0.000 1 1254 125 125 GLU CA C 56.502 0.000 1 1255 125 125 GLU CB C 29.824 0.000 1 1256 125 125 GLU CG C 36.554 0.000 1 1257 125 125 GLU N N 125.823 0.000 1 1258 126 126 GLN H H 8.142 0.003 1 1259 126 126 GLN HA H 4.737 0.000 1 1260 126 126 GLN HB2 H 2.074 0.001 2 1261 126 126 GLN HB3 H 2.039 0.005 2 1262 126 126 GLN HE21 H 7.433 0.001 2 1263 126 126 GLN HE22 H 6.661 0.000 2 1264 126 126 GLN HG2 H 2.129 0.004 2 1265 126 126 GLN HG3 H 2.224 0.005 2 1266 126 126 GLN C C 174.625 0.000 1 1267 126 126 GLN CA C 56.491 0.000 1 1268 126 126 GLN CB C 32.955 0.000 1 1269 126 126 GLN CG C 35.418 0.000 1 1270 126 126 GLN N N 118.550 0.000 1 1271 126 126 GLN NE2 N 111.445 0.000 1 1272 127 127 VAL H H 9.399 0.004 1 1273 127 127 VAL HA H 4.540 0.000 1 1274 127 127 VAL HB H 1.619 0.001 1 1275 127 127 VAL HG1 H 0.825 0.001 2 1276 127 127 VAL HG2 H 0.699 0.004 2 1277 127 127 VAL C C 173.733 0.000 1 1278 127 127 VAL CA C 57.220 0.000 1 1279 127 127 VAL CB C 35.144 0.000 1 1280 127 127 VAL CG1 C 21.417 0.000 1 1281 127 127 VAL CG2 C 22.497 0.000 1 1282 127 127 VAL N N 122.704 0.000 1 1283 128 128 ARG H H 9.229 0.000 1 1284 128 128 ARG HA H 4.821 0.000 1 1285 128 128 ARG HB2 H 1.835 0.005 2 1286 128 128 ARG HB3 H 1.410 0.002 2 1287 128 128 ARG HD2 H 3.051 0.000 2 1288 128 128 ARG HD3 H 2.929 0.003 2 1289 128 128 ARG HG2 H 1.416 0.000 2 1290 128 128 ARG HG3 H 1.254 0.000 2 1291 128 128 ARG C C 173.906 0.000 1 1292 128 128 ARG CA C 54.241 0.000 1 1293 128 128 ARG CB C 31.191 0.000 1 1294 128 128 ARG CD C 43.238 0.000 1 1295 128 128 ARG CG C 27.152 0.000 1 1296 128 128 ARG N N 128.624 0.000 1 1297 129 129 LEU H H 9.212 0.000 1 1298 129 129 LEU HA H 5.035 0.002 1 1299 129 129 LEU HB2 H 1.513 0.000 2 1300 129 129 LEU HB3 H 1.182 0.003 2 1301 129 129 LEU HD1 H 0.704 0.000 2 1302 129 129 LEU HD2 H 0.602 0.003 2 1303 129 129 LEU HG H 1.383 0.004 1 1304 129 129 LEU C C 174.526 0.000 1 1305 129 129 LEU CA C 53.708 0.000 1 1306 129 129 LEU CB C 44.700 0.000 1 1307 129 129 LEU CD1 C 25.918 0.005 1 1308 129 129 LEU CD2 C 25.735 0.000 1 1309 129 129 LEU CG C 28.051 0.000 1 1310 129 129 LEU N N 130.575 0.000 1 1311 130 130 VAL H H 9.139 0.002 1 1312 130 130 VAL HA H 4.803 0.000 1 1313 130 130 VAL HB H 1.997 0.000 1 1314 130 130 VAL HG1 H 0.834 0.001 2 1315 130 130 VAL HG2 H 0.852 0.000 2 1316 130 130 VAL C C 174.327 0.000 1 1317 130 130 VAL CA C 61.158 0.000 1 1318 130 130 VAL CB C 33.152 0.000 1 1319 130 130 VAL CG1 C 21.359 0.000 1 1320 130 130 VAL CG2 C 21.262 0.000 1 1321 130 130 VAL N N 127.383 0.000 1 1322 131 131 LEU H H 9.115 0.002 1 1323 131 131 LEU HA H 5.130 0.001 1 1324 131 131 LEU HB2 H 1.321 0.003 2 1325 131 131 LEU HB3 H 0.895 0.005 2 1326 131 131 LEU HD1 H -0.673 0.001 2 1327 131 131 LEU HD2 H -0.390 0.000 2 1328 131 131 LEU HG H 0.238 0.007 1 1329 131 131 LEU C C 175.368 0.000 1 1330 131 131 LEU CA C 53.197 0.000 1 1331 131 131 LEU CB C 45.540 0.000 1 1332 131 131 LEU CD1 C 26.667 0.000 1 1333 131 131 LEU CD2 C 22.775 0.000 1 1334 131 131 LEU CG C 26.834 0.000 1 1335 131 131 LEU N N 103.811 0.000 1 1336 132 132 THR H H 9.221 0.000 1 1337 132 132 THR HA H 4.948 0.000 1 1338 132 132 THR HB H 3.967 0.005 1 1339 132 132 THR HG2 H 1.057 0.000 1 1340 132 132 THR C C 172.370 0.000 1 1341 132 132 THR CA C 61.984 0.000 1 1342 132 132 THR CB C 69.251 0.000 1 1343 132 132 THR CG2 C 20.917 0.000 1 1344 132 132 THR N N 123.058 0.000 1 1345 133 133 HIS H H 9.484 0.000 1 1346 133 133 HIS HA H 5.538 0.000 1 1347 133 133 HIS HB2 H 3.406 0.002 2 1348 133 133 HIS HB3 H 2.356 0.004 2 1349 133 133 HIS HD2 H 7.378 0.000 1 1350 133 133 HIS HE1 H 8.146 0.002 1 1351 133 133 HIS C C 175.318 0.000 1 1352 133 133 HIS CA C 54.295 0.000 1 1353 133 133 HIS CB C 33.962 0.000 1 1354 133 133 HIS CD2 C 116.830 0.000 1 1355 133 133 HIS CE1 C 135.527 0.000 1 1356 133 133 HIS N N 135.322 0.000 1 1357 134 134 THR H H 9.791 0.000 1 1358 134 134 THR HA H 5.343 0.001 1 1359 134 134 THR HB H 4.301 0.000 1 1360 134 134 THR HG2 H 1.176 0.000 1 1361 134 134 THR C C 174.278 0.000 1 1362 134 134 THR CA C 59.652 0.000 1 1363 134 134 THR CB C 71.710 0.000 1 1364 134 134 THR CG2 C 21.949 0.000 1 1365 134 134 THR N N 116.974 0.000 1 1366 135 135 ARG H H 8.505 0.000 1 1367 135 135 ARG HA H 3.833 0.000 1 1368 135 135 ARG HB2 H 1.646 0.003 2 1369 135 135 ARG HB3 H 2.254 0.002 2 1370 135 135 ARG HD2 H 3.184 0.000 2 1371 135 135 ARG HD3 H 3.143 0.000 2 1372 135 135 ARG HG2 H 2.022 0.000 2 1373 135 135 ARG HG3 H 2.125 0.000 2 1374 135 135 ARG C C 180.225 0.000 1 1375 135 135 ARG CA C 57.075 0.000 1 1376 135 135 ARG CB C 28.031 0.000 1 1377 135 135 ARG CD C 43.716 0.000 1 1378 135 135 ARG CG C 27.920 0.000 1 1379 135 135 ARG N N 113.949 0.000 1 1380 136 136 LEU H H 8.346 0.000 1 1381 136 136 LEU HA H 4.377 0.000 1 1382 136 136 LEU HB2 H 1.093 0.000 2 1383 136 136 LEU HB3 H 1.539 0.000 2 1384 136 136 LEU HD1 H 0.554 0.000 1 1385 136 136 LEU HD2 H 0.534 0.004 1 1386 136 136 LEU HG H 0.734 0.000 1 1387 136 136 LEU C C 178.862 0.000 1 1388 136 136 LEU CA C 54.811 0.000 1 1389 136 136 LEU CB C 42.500 0.000 1 1390 136 136 LEU CD1 C 26.396 0.000 1 1391 136 136 LEU CD2 C 23.642 0.000 1 1392 136 136 LEU CG C 26.247 0.000 1 1393 136 136 LEU N N 121.414 0.000 1 1394 137 137 ALA H H 8.636 0.000 1 1395 137 137 ALA HA H 3.882 0.006 1 1396 137 137 ALA HB H 1.385 0.000 1 1397 137 137 ALA C C 177.350 0.000 1 1398 137 137 ALA CA C 55.420 0.004 1 1399 137 137 ALA CB C 19.810 0.000 1 1400 137 137 ALA N N 122.946 0.000 1 1401 138 138 ASP H H 7.309 0.001 1 1402 138 138 ASP HA H 4.578 0.001 1 1403 138 138 ASP HB2 H 3.009 0.000 2 1404 138 138 ASP HB3 H 3.134 0.001 2 1405 138 138 ASP C C 175.318 0.000 1 1406 138 138 ASP CA C 52.328 0.000 1 1407 138 138 ASP CB C 41.290 0.000 1 1408 138 138 ASP N N 110.593 0.000 1 1409 139 139 ARG H H 8.492 0.000 1 1410 139 139 ARG HA H 4.034 0.000 1 1411 139 139 ARG HB2 H 1.889 0.000 2 1412 139 139 ARG HB3 H 1.802 0.000 2 1413 139 139 ARG HD2 H 3.177 0.000 2 1414 139 139 ARG HD3 H 3.166 0.000 2 1415 139 139 ARG HG2 H 1.608 0.000 2 1416 139 139 ARG HG3 H 1.621 0.000 2 1417 139 139 ARG C C 177.350 0.000 1 1418 139 139 ARG CA C 59.288 0.000 1 1419 139 139 ARG CB C 29.964 0.000 1 1420 139 139 ARG CD C 43.443 0.000 1 1421 139 139 ARG CG C 27.541 0.000 1 1422 139 139 ARG N N 119.632 0.000 1 1423 140 140 ALA H H 8.045 0.000 1 1424 140 140 ALA HA H 4.029 0.000 1 1425 140 140 ALA HB H 1.458 0.002 1 1426 140 140 ALA C C 180.225 0.000 1 1427 140 140 ALA CA C 55.300 0.000 1 1428 140 140 ALA CB C 17.623 0.000 1 1429 140 140 ALA N N 121.669 0.000 1 1430 141 141 ALA H H 8.343 0.000 1 1431 141 141 ALA HA H 4.264 0.001 1 1432 141 141 ALA HB H 1.653 0.002 1 1433 141 141 ALA C C 180.014 0.000 1 1434 141 141 ALA CA C 54.701 0.000 1 1435 141 141 ALA CB C 19.043 0.000 1 1436 141 141 ALA N N 121.519 0.000 1 1437 142 142 MET H H 7.949 0.000 1 1438 142 142 MET HA H 3.848 0.000 1 1439 142 142 MET HB2 H 2.093 0.008 2 1440 142 142 MET HB3 H 2.120 0.000 2 1441 142 142 MET HE H 1.929 0.002 1 1442 142 142 MET HG2 H 2.153 0.004 2 1443 142 142 MET HG3 H 2.188 0.004 2 1444 142 142 MET C C 177.078 0.000 1 1445 142 142 MET CA C 59.148 0.000 1 1446 142 142 MET CB C 32.564 0.000 1 1447 142 142 MET CE C 17.500 0.000 1 1448 142 142 MET CG C 32.069 0.000 1 1449 142 142 MET N N 116.738 0.000 1 1450 143 143 LEU H H 8.676 0.002 1 1451 143 143 LEU HA H 3.860 0.000 1 1452 143 143 LEU HB2 H 1.803 0.001 2 1453 143 143 LEU HB3 H 1.736 0.002 2 1454 143 143 LEU HD1 H 0.968 0.002 2 1455 143 143 LEU HD2 H 0.921 0.005 2 1456 143 143 LEU HG H 1.752 0.003 1 1457 143 143 LEU C C 179.134 0.000 1 1458 143 143 LEU CA C 58.002 0.000 1 1459 143 143 LEU CB C 41.448 0.000 1 1460 143 143 LEU CD1 C 25.146 0.000 1 1461 143 143 LEU CD2 C 24.572 0.000 1 1462 143 143 LEU CG C 27.101 0.000 1 1463 143 143 LEU N N 120.031 0.000 1 1464 144 144 ASP H H 7.760 0.002 1 1465 144 144 ASP HA H 4.473 0.000 1 1466 144 144 ASP HB2 H 2.864 0.004 2 1467 144 144 ASP HB3 H 2.786 0.000 2 1468 144 144 ASP C C 179.060 0.000 1 1469 144 144 ASP CA C 57.212 0.000 1 1470 144 144 ASP CB C 41.192 0.000 1 1471 144 144 ASP N N 118.489 0.000 1 1472 145 145 VAL H H 7.653 0.001 1 1473 145 145 VAL HA H 4.104 0.000 1 1474 145 145 VAL HB H 2.055 0.001 1 1475 145 145 VAL HG1 H 0.750 0.000 1 1476 145 145 VAL HG2 H 0.725 0.006 1 1477 145 145 VAL C C 177.326 0.000 1 1478 145 145 VAL CA C 63.131 0.000 1 1479 145 145 VAL CB C 31.323 0.000 1 1480 145 145 VAL CG1 C 21.296 0.000 1 1481 145 145 VAL CG2 C 19.911 0.000 1 1482 145 145 VAL N N 111.869 0.000 1 1483 146 146 ALA H H 8.551 0.006 1 1484 146 146 ALA HA H 4.095 0.001 1 1485 146 146 ALA HB H 0.795 0.004 1 1486 146 146 ALA C C 178.812 0.000 1 1487 146 146 ALA CA C 55.802 0.000 1 1488 146 146 ALA CB C 17.571 0.000 1 1489 146 146 ALA N N 124.828 0.000 1 1490 147 147 GLY H H 7.954 0.007 1 1491 147 147 GLY HA2 H 3.728 0.000 2 1492 147 147 GLY HA3 H 3.904 0.000 2 1493 147 147 GLY C C 175.170 0.000 1 1494 147 147 GLY CA C 47.269 0.000 1 1495 147 147 GLY N N 102.697 0.000 1 1496 148 148 GLY H H 7.650 0.000 1 1497 148 148 GLY HA2 H 3.830 0.002 2 1498 148 148 GLY HA3 H 3.579 0.000 2 1499 148 148 GLY C C 175.764 0.000 1 1500 148 148 GLY CA C 47.701 0.000 1 1501 148 148 GLY N N 106.782 0.000 1 1502 149 149 TRP H H 8.828 0.000 1 1503 149 149 TRP HA H 4.910 0.000 1 1504 149 149 TRP HB2 H 2.730 0.000 2 1505 149 149 TRP HB3 H 2.200 0.002 2 1506 149 149 TRP HD1 H 6.650 0.000 1 1507 149 149 TRP HE1 H -1.279 0.000 1 1508 149 149 TRP HE3 H 7.390 0.000 1 1509 149 149 TRP HH2 H 6.504 0.000 1 1510 149 149 TRP HZ2 H 5.941 0.004 1 1511 149 149 TRP HZ3 H 6.930 0.000 1 1512 149 149 TRP C C 178.589 0.000 1 1513 149 149 TRP CA C 55.916 0.000 1 1514 149 149 TRP CB C 29.686 0.000 1 1515 149 149 TRP CD1 C 127.168 0.000 1 1516 149 149 TRP CE3 C 121.215 0.000 1 1517 149 149 TRP CH2 C 122.951 0.000 1 1518 149 149 TRP CZ2 C 114.967 0.000 1 1519 149 149 TRP CZ3 C 120.667 0.000 1 1520 149 149 TRP N N 120.889 0.000 1 1521 149 149 TRP NE1 N 135.599 0.000 1 1522 150 150 HIS H H 8.195 0.000 1 1523 150 150 HIS HA H 3.692 0.001 1 1524 150 150 HIS HB2 H 3.545 0.001 2 1525 150 150 HIS HB3 H 3.815 0.001 2 1526 150 150 HIS HD2 H 7.146 0.001 1 1527 150 150 HIS HE1 H 8.146 0.002 1 1528 150 150 HIS C C 179.035 0.000 1 1529 150 150 HIS CA C 60.594 0.000 1 1530 150 150 HIS CB C 32.585 0.000 1 1531 150 150 HIS CD2 C 119.317 0.000 1 1532 150 150 HIS CE1 C 135.527 0.000 1 1533 150 150 HIS N N 118.738 0.000 1 1534 151 151 ALA H H 8.162 0.002 1 1535 151 151 ALA HA H 4.046 0.001 1 1536 151 151 ALA HB H 0.758 0.003 1 1537 151 151 ALA C C 179.457 0.000 1 1538 151 151 ALA CA C 55.583 0.000 1 1539 151 151 ALA CB C 18.513 0.000 1 1540 151 151 ALA N N 120.485 0.000 1 1541 152 152 HIS H H 9.450 0.000 1 1542 152 152 HIS HA H 4.625 0.000 1 1543 152 152 HIS HB2 H 3.541 0.003 2 1544 152 152 HIS HB3 H 3.690 0.001 2 1545 152 152 HIS HD2 H 6.725 0.000 1 1546 152 152 HIS HE1 H 8.146 0.002 1 1547 152 152 HIS C C 179.035 0.000 1 1548 152 152 HIS CA C 62.438 0.000 1 1549 152 152 HIS CB C 28.382 0.000 1 1550 152 152 HIS CD2 C 119.317 0.000 1 1551 152 152 HIS CE1 C 135.527 0.000 1 1552 152 152 HIS N N 117.351 0.000 1 1553 153 153 LEU H H 9.546 0.000 1 1554 153 153 LEU HA H 4.152 0.002 1 1555 153 153 LEU HB2 H 2.001 0.009 2 1556 153 153 LEU HB3 H 1.116 0.002 2 1557 153 153 LEU HD1 H 0.353 0.000 1 1558 153 153 LEU HD2 H 0.671 0.000 1 1559 153 153 LEU HG H 1.388 0.000 1 1560 153 153 LEU C C 179.506 0.000 1 1561 153 153 LEU CA C 57.698 0.000 1 1562 153 153 LEU CB C 41.217 0.000 1 1563 153 153 LEU CD1 C 25.110 0.000 1 1564 153 153 LEU CD2 C 22.402 0.000 1 1565 153 153 LEU CG C 26.247 0.000 1 1566 153 153 LEU N N 117.665 0.000 1 1567 154 154 ALA H H 7.694 0.000 1 1568 154 154 ALA HA H 4.202 0.000 1 1569 154 154 ALA HB H 1.651 0.006 1 1570 154 154 ALA C C 180.919 0.000 1 1571 154 154 ALA CA C 55.104 0.000 1 1572 154 154 ALA CB C 17.811 0.000 1 1573 154 154 ALA N N 123.697 0.000 1 1574 155 155 VAL H H 7.958 0.000 1 1575 155 155 VAL HA H 3.725 0.005 1 1576 155 155 VAL HB H 3.034 0.002 1 1577 155 155 VAL HG1 H 1.413 0.005 2 1578 155 155 VAL HG2 H 1.409 0.004 2 1579 155 155 VAL C C 177.301 0.000 1 1580 155 155 VAL CA C 67.369 0.000 1 1581 155 155 VAL CB C 31.439 0.000 1 1582 155 155 VAL CG1 C 23.302 0.000 1 1583 155 155 VAL CG2 C 23.059 0.000 1 1584 155 155 VAL N N 120.134 0.000 1 1585 156 156 LEU H H 8.428 0.001 1 1586 156 156 LEU HA H 3.604 0.000 1 1587 156 156 LEU HB2 H 1.078 0.005 2 1588 156 156 LEU HB3 H 1.564 0.000 2 1589 156 156 LEU HD1 H -0.348 0.000 2 1590 156 156 LEU HD2 H -0.451 0.003 2 1591 156 156 LEU HG H 0.707 0.000 1 1592 156 156 LEU C C 176.805 0.000 1 1593 156 156 LEU CA C 58.597 0.000 1 1594 156 156 LEU CB C 40.317 0.000 1 1595 156 156 LEU CD1 C 21.071 0.000 1 1596 156 156 LEU CD2 C 24.207 0.000 1 1597 156 156 LEU CG C 26.247 0.000 1 1598 156 156 LEU N N 121.113 0.000 1 1599 157 157 ALA H H 8.120 0.001 1 1600 157 157 ALA HA H 3.576 0.000 1 1601 157 157 ALA HB H 1.335 0.000 1 1602 157 157 ALA C C 180.299 0.000 1 1603 157 157 ALA CA C 55.170 0.000 1 1604 157 157 ALA CB C 18.173 0.000 1 1605 157 157 ALA N N 117.036 0.000 1 1606 158 158 GLY H H 7.654 0.003 1 1607 158 158 GLY HA2 H 3.438 0.000 2 1608 158 158 GLY HA3 H 3.855 0.005 2 1609 158 158 GLY C C 174.947 0.000 1 1610 158 158 GLY CA C 47.403 0.000 1 1611 158 158 GLY N N 102.776 0.000 1 1612 159 159 LYS H H 8.449 0.000 1 1613 159 159 LYS HA H 4.267 0.000 1 1614 159 159 LYS HB2 H 1.873 0.000 2 1615 159 159 LYS HB3 H 2.036 0.000 2 1616 159 159 LYS HD2 H 1.749 0.000 2 1617 159 159 LYS HD3 H 1.749 0.000 2 1618 159 159 LYS HE2 H 3.136 0.000 2 1619 159 159 LYS HE3 H 3.240 0.000 2 1620 159 159 LYS HG2 H 1.592 0.000 2 1621 159 159 LYS HG3 H 1.959 0.000 2 1622 159 159 LYS C C 181.439 0.000 1 1623 159 159 LYS CA C 60.396 0.000 1 1624 159 159 LYS CB C 30.061 0.000 1 1625 159 159 LYS CD C 28.257 0.000 1 1626 159 159 LYS CE C 42.771 0.000 1 1627 159 159 LYS CG C 27.697 0.000 1 1628 159 159 LYS N N 119.415 0.000 1 1629 160 160 LEU H H 8.439 0.000 1 1630 160 160 LEU HA H 3.288 0.005 1 1631 160 160 LEU HB2 H 1.301 0.005 1 1632 160 160 LEU HB3 H 0.821 0.005 1 1633 160 160 LEU HD1 H 0.203 0.000 1 1634 160 160 LEU HD2 H -0.355 0.000 1 1635 160 160 LEU HG H 0.601 0.006 1 1636 160 160 LEU C C 177.945 0.000 1 1637 160 160 LEU CA C 57.357 0.000 1 1638 160 160 LEU CB C 42.092 0.000 1 1639 160 160 LEU CD1 C 27.019 0.000 1 1640 160 160 LEU CD2 C 21.837 0.000 1 1641 160 160 LEU CG C 26.778 0.000 1 1642 160 160 LEU N N 121.318 0.000 1 1643 161 161 ALA H H 6.983 0.000 1 1644 161 161 ALA HA H 4.326 0.001 1 1645 161 161 ALA HB H 1.466 0.008 1 1646 161 161 ALA C C 177.350 0.000 1 1647 161 161 ALA CA C 51.767 0.000 1 1648 161 161 ALA CB C 19.041 0.000 1 1649 161 161 ALA N N 117.726 0.000 1 1650 162 162 GLY H H 7.787 0.001 1 1651 162 162 GLY HA2 H 3.824 0.000 2 1652 162 162 GLY HA3 H 4.049 0.003 2 1653 162 162 GLY C C 174.377 0.000 1 1654 162 162 GLY CA C 45.902 0.000 1 1655 162 162 GLY N N 107.459 0.000 1 1656 163 163 GLN H H 8.010 0.003 1 1657 163 163 GLN HA H 4.510 0.000 1 1658 163 163 GLN HB2 H 2.115 0.001 2 1659 163 163 GLN HB3 H 1.787 0.002 2 1660 163 163 GLN HE21 H 6.824 0.000 2 1661 163 163 GLN HE22 H 7.416 0.002 2 1662 163 163 GLN HG2 H 2.305 0.001 2 1663 163 163 GLN HG3 H 2.272 0.002 2 1664 163 163 GLN C C 175.393 0.000 1 1665 163 163 GLN CA C 53.213 0.000 1 1666 163 163 GLN CB C 30.906 0.000 1 1667 163 163 GLN CG C 33.197 0.000 1 1668 163 163 GLN N N 118.008 0.000 1 1669 163 163 GLN NE2 N 111.681 0.000 1 1670 164 164 ALA H H 8.431 0.000 1 1671 164 164 ALA HA H 4.511 0.001 1 1672 164 164 ALA HB H 1.372 0.002 1 1673 164 164 ALA CA C 50.313 0.000 1 1674 164 164 ALA CB C 16.985 0.000 1 1675 164 164 ALA N N 124.657 0.000 1 1676 165 165 PRO HA H 4.607 0.001 1 1677 165 165 PRO HB2 H 2.289 0.003 2 1678 165 165 PRO HB3 H 2.285 0.000 2 1679 165 165 PRO HD2 H 3.929 0.000 2 1680 165 165 PRO HD3 H 3.809 0.000 2 1681 165 165 PRO HG2 H 2.243 0.000 2 1682 165 165 PRO HG3 H 2.261 0.000 2 1683 165 165 PRO CA C 60.504 0.000 1 1684 165 165 PRO CB C 31.527 0.000 1 1685 165 165 PRO CD C 49.995 0.000 1 1686 165 165 PRO CG C 27.448 0.000 1 1687 166 166 PRO HA H 4.473 0.000 1 1688 166 166 PRO HB2 H 2.033 0.004 2 1689 166 166 PRO HB3 H 2.032 0.000 2 1690 166 166 PRO HD2 H 3.795 0.003 2 1691 166 166 PRO HD3 H 3.459 0.001 2 1692 166 166 PRO HG2 H 1.950 0.004 2 1693 166 166 PRO HG3 H 2.271 0.005 2 1694 166 166 PRO CA C 62.777 0.000 1 1695 166 166 PRO CB C 31.287 0.000 1 1696 166 166 PRO CD C 49.757 0.000 1 1697 166 166 PRO CG C 27.207 0.000 1 1698 167 167 PRO HA H 4.358 0.000 1 1699 167 167 PRO HB2 H 2.363 0.002 2 1700 167 167 PRO HB3 H 2.378 0.002 2 1701 167 167 PRO HD2 H 3.583 0.000 2 1702 167 167 PRO HD3 H 3.862 0.000 2 1703 167 167 PRO HG2 H 2.102 0.000 2 1704 167 167 PRO HG3 H 1.893 0.000 2 1705 167 167 PRO C C 180.398 0.000 1 1706 167 167 PRO CA C 62.616 0.000 1 1707 167 167 PRO CB C 31.680 0.000 1 1708 167 167 PRO CD C 50.197 0.000 1 1709 167 167 PRO CG C 27.968 0.000 1 1710 168 168 PHE H H 8.347 0.000 1 1711 168 168 PHE HA H 3.602 0.007 1 1712 168 168 PHE HB2 H 2.837 0.001 2 1713 168 168 PHE HB3 H 2.002 0.001 2 1714 168 168 PHE HD1 H 5.561 0.004 1 1715 168 168 PHE HD2 H 5.561 0.004 1 1716 168 168 PHE HE1 H 5.774 0.004 1 1717 168 168 PHE HE2 H 5.774 0.004 1 1718 168 168 PHE HZ H 6.123 0.002 1 1719 168 168 PHE C C 174.823 0.000 1 1720 168 168 PHE CA C 63.410 0.000 1 1721 168 168 PHE CB C 40.919 0.000 1 1722 168 168 PHE CD1 C 130.321 0.000 1 1723 168 168 PHE CE1 C 130.453 0.000 1 1724 168 168 PHE CZ C 128.704 0.000 1 1725 168 168 PHE N N 129.059 0.000 1 1726 169 169 TRP H H 7.851 0.000 1 1727 169 169 TRP HA H 4.072 0.000 1 1728 169 169 TRP HB2 H 3.189 0.000 2 1729 169 169 TRP HB3 H 3.132 0.000 2 1730 169 169 TRP HD1 H 6.954 0.000 1 1731 169 169 TRP HE1 H 10.077 0.008 1 1732 169 169 TRP HE3 H 6.937 0.000 1 1733 169 169 TRP HH2 H 6.828 0.000 1 1734 169 169 TRP HZ2 H 7.184 0.002 1 1735 169 169 TRP HZ3 H 6.505 0.001 1 1736 169 169 TRP C C 180.596 0.000 1 1737 169 169 TRP CA C 58.109 0.000 1 1738 169 169 TRP CB C 28.955 0.000 1 1739 169 169 TRP CD1 C 127.703 0.000 1 1740 169 169 TRP CE3 C 120.899 0.000 1 1741 169 169 TRP CH2 C 124.837 0.000 1 1742 169 169 TRP CZ2 C 113.876 0.000 1 1743 169 169 TRP CZ3 C 121.818 0.000 1 1744 169 169 TRP N N 119.376 0.000 1 1745 169 169 TRP NE1 N 128.966 0.000 1 1746 170 170 THR H H 10.044 0.000 1 1747 170 170 THR HA H 3.968 0.002 1 1748 170 170 THR HB H 4.077 0.001 1 1749 170 170 THR HG2 H 1.236 0.000 1 1750 170 170 THR C C 176.582 0.000 1 1751 170 170 THR CA C 67.412 0.000 1 1752 170 170 THR CB C 40.508 0.000 1 1753 170 170 THR CG2 C 21.021 0.000 1 1754 170 170 THR N N 121.169 0.000 1 1755 171 171 THR H H 7.644 0.000 1 1756 171 171 THR HA H 4.045 0.000 1 1757 171 171 THR HB H 3.800 0.001 1 1758 171 171 THR HG2 H 1.128 0.004 1 1759 171 171 THR C C 175.888 0.000 1 1760 171 171 THR CA C 67.722 0.000 1 1761 171 171 THR CB C 39.359 0.000 1 1762 171 171 THR CG2 C 20.689 0.000 1 1763 171 171 THR N N 118.619 0.000 1 1764 172 172 LEU H H 8.396 0.009 1 1765 172 172 LEU HA H 3.674 0.002 1 1766 172 172 LEU HB2 H 0.544 0.001 2 1767 172 172 LEU HB3 H 1.548 0.005 2 1768 172 172 LEU HD1 H 0.518 0.003 1 1769 172 172 LEU HD2 H 0.394 0.005 1 1770 172 172 LEU HG H 1.314 0.000 1 1771 172 172 LEU C C 177.524 0.000 1 1772 172 172 LEU CA C 58.581 0.000 1 1773 172 172 LEU CB C 41.828 0.000 1 1774 172 172 LEU CD1 C 23.453 0.000 1 1775 172 172 LEU CD2 C 25.932 0.000 1 1776 172 172 LEU CG C 26.489 0.000 1 1777 172 172 LEU N N 124.901 0.000 1 1778 173 173 ALA H H 8.375 0.003 1 1779 173 173 ALA HA H 4.274 0.003 1 1780 173 173 ALA HB H 1.643 0.003 1 1781 173 173 ALA C C 181.488 0.000 1 1782 173 173 ALA CA C 54.977 0.000 1 1783 173 173 ALA CB C 18.599 0.000 1 1784 173 173 ALA N N 120.330 0.000 1 1785 174 174 GLN H H 7.881 0.003 1 1786 174 174 GLN HA H 3.980 0.002 1 1787 174 174 GLN HB2 H 2.058 0.000 1 1788 174 174 GLN HB3 H 2.219 0.003 1 1789 174 174 GLN HE21 H 6.750 0.000 2 1790 174 174 GLN HE22 H 7.586 0.002 2 1791 174 174 GLN HG2 H 2.428 0.001 2 1792 174 174 GLN HG3 H 2.318 0.000 2 1793 174 174 GLN C C 177.920 0.000 1 1794 174 174 GLN CA C 58.123 0.000 1 1795 174 174 GLN CB C 28.339 0.000 1 1796 174 174 GLN CG C 33.699 0.000 1 1797 174 174 GLN N N 118.027 0.000 1 1798 174 174 GLN NE2 N 113.812 0.000 1 1799 175 175 ALA H H 8.306 0.001 1 1800 175 175 ALA HA H 3.934 0.004 1 1801 175 175 ALA HB H 1.455 0.000 1 1802 175 175 ALA C C 178.961 0.000 1 1803 175 175 ALA CA C 54.965 0.000 1 1804 175 175 ALA CB C 18.177 0.000 1 1805 175 175 ALA N N 122.012 0.000 1 1806 176 176 GLU H H 8.973 0.000 1 1807 176 176 GLU HA H 4.099 0.001 1 1808 176 176 GLU HB2 H 2.153 0.001 2 1809 176 176 GLU HB3 H 2.309 0.005 2 1810 176 176 GLU HG2 H 2.609 0.003 2 1811 176 176 GLU HG3 H 2.296 0.003 2 1812 176 176 GLU C C 178.986 0.000 1 1813 176 176 GLU CA C 60.446 0.000 1 1814 176 176 GLU CB C 29.893 0.000 1 1815 176 176 GLU CG C 37.072 0.000 1 1816 176 176 GLU N N 118.205 0.000 1 1817 177 177 GLN H H 7.363 0.001 1 1818 177 177 GLN HA H 4.120 0.000 1 1819 177 177 GLN HB2 H 2.210 0.004 2 1820 177 177 GLN HB3 H 2.206 0.000 2 1821 177 177 GLN HE21 H 7.523 0.008 2 1822 177 177 GLN HE22 H 6.836 0.007 2 1823 177 177 GLN HG2 H 2.422 0.002 2 1824 177 177 GLN HG3 H 2.523 0.003 2 1825 177 177 GLN C C 178.565 0.000 1 1826 177 177 GLN CA C 58.699 0.000 1 1827 177 177 GLN CB C 28.669 0.000 1 1828 177 177 GLN CG C 34.061 0.000 1 1829 177 177 GLN N N 116.725 0.000 1 1830 177 177 GLN NE2 N 112.155 0.000 1 1831 178 178 ASP H H 8.105 0.000 1 1832 178 178 ASP HA H 4.282 0.001 1 1833 178 178 ASP HB2 H 2.196 0.002 2 1834 178 178 ASP HB3 H 2.636 0.004 2 1835 178 178 ASP C C 179.605 0.000 1 1836 178 178 ASP CA C 57.017 0.000 1 1837 178 178 ASP CB C 40.558 0.000 1 1838 178 178 ASP N N 120.444 0.000 1 1839 179 179 TYR H H 9.055 0.000 1 1840 179 179 TYR HA H 4.098 0.001 1 1841 179 179 TYR HB2 H 2.961 0.001 2 1842 179 179 TYR HB3 H 2.907 0.004 2 1843 179 179 TYR HD1 H 7.086 0.004 1 1844 179 179 TYR HD2 H 7.086 0.004 1 1845 179 179 TYR HE1 H 6.897 0.001 1 1846 179 179 TYR HE2 H 6.897 0.001 1 1847 179 179 TYR CA C 63.484 0.000 1 1848 179 179 TYR CB C 37.428 0.000 1 1849 179 179 TYR CD1 C 132.804 0.000 1 1850 179 179 TYR CE1 C 117.521 0.000 1 1851 179 179 TYR N N 117.590 0.000 1 1852 180 180 GLU H H 8.117 0.002 1 1853 180 180 GLU HA H 3.968 0.002 1 1854 180 180 GLU HB2 H 2.280 0.003 2 1855 180 180 GLU HB3 H 2.119 0.004 2 1856 180 180 GLU HG2 H 2.305 0.001 2 1857 180 180 GLU HG3 H 2.395 0.006 2 1858 180 180 GLU CA C 59.846 0.000 1 1859 180 180 GLU CB C 29.307 0.000 1 1860 180 180 GLU CG C 36.399 0.000 1 1861 180 180 GLU N N 120.486 0.000 1 1862 181 181 GLN H H 7.191 0.000 1 1863 181 181 GLN HA H 4.159 0.000 1 1864 181 181 GLN HB2 H 2.194 0.000 1 1865 181 181 GLN HB3 H 2.156 0.000 1 1866 181 181 GLN HE21 H 7.234 0.000 2 1867 181 181 GLN HE22 H 7.134 0.000 2 1868 181 181 GLN HG2 H 2.417 0.000 2 1869 181 181 GLN HG3 H 2.501 0.002 2 1870 181 181 GLN CA C 57.082 0.000 1 1871 181 181 GLN CB C 28.865 0.000 1 1872 181 181 GLN CG C 33.788 0.000 1 1873 181 181 GLN N N 113.676 0.000 1 1874 182 182 ARG H H 7.878 0.001 1 1875 182 182 ARG HA H 4.165 0.000 1 1876 182 182 ARG HB2 H 1.630 0.003 2 1877 182 182 ARG HB3 H 1.985 0.002 2 1878 182 182 ARG HD2 H 3.164 0.000 2 1879 182 182 ARG HD3 H 3.195 0.002 2 1880 182 182 ARG HG2 H 1.541 0.001 2 1881 182 182 ARG HG3 H 2.132 0.001 2 1882 182 182 ARG CA C 57.962 0.000 1 1883 182 182 ARG CB C 31.962 0.000 1 1884 182 182 ARG CD C 42.577 0.000 1 1885 182 182 ARG CG C 26.787 0.000 1 1886 182 182 ARG N N 117.093 0.000 1 1887 183 183 LEU H H 8.312 0.000 1 1888 183 183 LEU HA H 4.428 0.000 1 1889 183 183 LEU HB2 H 1.913 0.000 2 1890 183 183 LEU HB3 H 1.647 0.000 2 1891 183 183 LEU HD1 H 0.841 0.000 2 1892 183 183 LEU HD2 H 0.866 0.000 2 1893 183 183 LEU HG H 1.563 0.000 1 1894 183 183 LEU CA C 55.127 0.000 1 1895 183 183 LEU CB C 41.847 0.000 1 1896 183 183 LEU CD1 C 24.207 0.000 1 1897 183 183 LEU CD2 C 23.122 0.000 1 1898 183 183 LEU CG C 26.247 0.000 1 1899 183 183 LEU N N 117.768 0.000 1 1900 184 184 LEU H H 7.661 0.000 1 1901 184 184 LEU HA H 4.285 0.000 1 1902 184 184 LEU HB2 H 1.507 0.000 2 1903 184 184 LEU HB3 H 1.711 0.000 2 1904 184 184 LEU HD1 H 0.882 0.000 2 1905 184 184 LEU HD2 H 0.837 0.000 2 1906 184 184 LEU HG H 1.606 0.002 1 1907 184 184 LEU CA C 55.337 0.000 1 1908 184 184 LEU CB C 42.374 0.000 1 1909 184 184 LEU CD1 C 24.207 0.000 1 1910 184 184 LEU CD2 C 23.577 0.000 1 1911 184 184 LEU CG C 26.247 0.000 1 1912 184 184 LEU N N 121.414 0.000 1 1913 185 185 GLU H H 8.292 0.000 1 1914 185 185 GLU HA H 4.326 0.001 1 1915 185 185 GLU HB2 H 2.106 0.001 2 1916 185 185 GLU HB3 H 2.106 0.001 2 1917 185 185 GLU HG2 H 2.376 0.001 2 1918 185 185 GLU HG3 H 2.376 0.001 2 1919 185 185 GLU CA C 56.897 0.000 1 1920 185 185 GLU CB C 29.547 0.000 1 1921 185 185 GLU CG C 35.487 0.000 1 1922 185 185 GLU N N 120.114 0.000 1 1923 186 186 HIS H H 8.314 0.000 1 stop_ save_