data_11422 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the E. coli ORF135 protein ; _BMRB_accession_number 11422 _BMRB_flat_file_name bmr11422.str _Entry_type original _Submission_date 2011-01-01 _Accession_date 2011-01-03 _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 Kawasaki Kumiko . . 2 Mishima Masaki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 557 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-07 original author . stop_ _Original_release_date 2013-02-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N NMR assignments of the Escherichia coli Orf135 protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21553121 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kawasaki Kumiko . . 2 Yoneyama Momoko . . 3 Murata-Kamiya Naoko . . 4 Harashima Hideyoshi . . 5 Kojima Chojiro . . 6 Ito Yutaka . . 7 Kamiya Hiroyuki . . 8 Mishima Masaki . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CTP pyrophosphohydrolase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ORF135 protein' $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 'ORF135 protein' _Molecular_mass 15476.681 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; GPLGSMKMIEVVAAIIERDG KILLAQRPAQSDQAGLWEFA GGKVEPDESQRQALVRELRE ELGIEATVGEYVASHQREVS GRIIHLHAWHVPDFHGTLQA HEHQALVWCSPEEALQYPLA PADIPLLEAFMALRAARPAD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 LYS 8 MET 9 ILE 10 GLU 11 VAL 12 VAL 13 ALA 14 ALA 15 ILE 16 ILE 17 GLU 18 ARG 19 ASP 20 GLY 21 LYS 22 ILE 23 LEU 24 LEU 25 ALA 26 GLN 27 ARG 28 PRO 29 ALA 30 GLN 31 SER 32 ASP 33 GLN 34 ALA 35 GLY 36 LEU 37 TRP 38 GLU 39 PHE 40 ALA 41 GLY 42 GLY 43 LYS 44 VAL 45 GLU 46 PRO 47 ASP 48 GLU 49 SER 50 GLN 51 ARG 52 GLN 53 ALA 54 LEU 55 VAL 56 ARG 57 GLU 58 LEU 59 ARG 60 GLU 61 GLU 62 LEU 63 GLY 64 ILE 65 GLU 66 ALA 67 THR 68 VAL 69 GLY 70 GLU 71 TYR 72 VAL 73 ALA 74 SER 75 HIS 76 GLN 77 ARG 78 GLU 79 VAL 80 SER 81 GLY 82 ARG 83 ILE 84 ILE 85 HIS 86 LEU 87 HIS 88 ALA 89 TRP 90 HIS 91 VAL 92 PRO 93 ASP 94 PHE 95 HIS 96 GLY 97 THR 98 LEU 99 GLN 100 ALA 101 HIS 102 GLU 103 HIS 104 GLN 105 ALA 106 LEU 107 VAL 108 TRP 109 CYS 110 SER 111 PRO 112 GLU 113 GLU 114 ALA 115 LEU 116 GLN 117 TYR 118 PRO 119 LEU 120 ALA 121 PRO 122 ALA 123 ASP 124 ILE 125 PRO 126 LEU 127 LEU 128 GLU 129 ALA 130 PHE 131 MET 132 ALA 133 LEU 134 ARG 135 ALA 136 ALA 137 ARG 138 PRO 139 ALA 140 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 2RRK "Solution Structure Of The E. Coli Orf135 Protein" 100.00 140 100.00 100.00 4.97e-94 DBJ BAA15549 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli str. K12 substr. W3110]" 96.43 135 100.00 100.00 2.74e-90 DBJ BAB35888 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 96.43 135 98.52 99.26 6.87e-89 DBJ BAG77454 "conserved hypothetical protein [Escherichia coli SE11]" 96.43 135 97.04 97.78 1.23e-86 DBJ BAI25775 "pyrimidine (deoxy) nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O26:H11 str. 11368]" 96.43 135 99.26 99.26 9.52e-90 DBJ BAI30753 "pyrimidine (deoxy) nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O103:H2 str. 12009]" 96.43 135 97.04 97.78 1.23e-86 EMBL CAP76253 "CTP pyrophosphohydrolase [Escherichia coli LF82]" 96.43 135 98.52 99.26 4.16e-89 EMBL CAQ32233 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli BL21(DE3)]" 96.43 135 100.00 100.00 2.74e-90 EMBL CAQ98676 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli IAI1]" 96.43 135 97.78 98.52 1.37e-87 EMBL CAR03119 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli S88]" 96.43 135 97.04 98.52 1.80e-87 EMBL CAR13244 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli UMN026]" 96.43 135 98.52 98.52 2.09e-88 GB AAC74829 "CTP pyrophosphohydrolase; also hydrolyzes 2-hydroxy-dATP, 8-hydroxy-dGTP, 5-hydroxy-CTP, dCTP and 5-methyl-dCTP [Escherichia co" 96.43 135 100.00 100.00 2.74e-90 GB AAG56745 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 96.43 135 98.52 99.26 6.87e-89 GB ABB61654 "conserved hypothetical protein [Shigella dysenteriae Sd197]" 96.43 135 97.04 97.78 1.28e-86 GB ABE07431 "CTP pyrophosphohydrolase [Escherichia coli UTI89]" 96.43 135 97.04 98.52 1.80e-87 GB ABG69708 "CTP pyrophosphohydrolase [Escherichia coli 536]" 96.43 135 98.52 99.26 4.16e-89 REF NP_310492 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O157:H7 str. Sakai]" 96.43 135 98.52 99.26 6.87e-89 REF NP_416273 "CTP pyrophosphohydrolase; also hydrolyzes 2-hydroxy-dATP, 8-hydroxy-dGTP, 5-hydroxy-CTP, dCTP and 5-methyl-dCTP [Escherichia co" 96.43 135 100.00 100.00 2.74e-90 REF WP_000296338 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase, partial [Escherichia coli]" 67.86 95 98.95 98.95 1.35e-59 REF WP_000781861 "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli]" 96.43 135 97.78 98.52 5.24e-88 REF WP_000781866 "MULTISPECIES: pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Enterobacteriaceae]" 96.43 135 98.52 98.52 2.09e-88 SP P77788 "RecName: Full=CTP pyrophosphohydrolase" 96.43 135 100.00 100.00 2.74e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'E. coli' 83333 Eubacteria . Escherichia coli K14 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' 'E. coli' Escherichia coli BL21 pGEX6P3 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 mM '[U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_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_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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_4D_HC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HC(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_15N_filtered_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N filtered NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 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' 70 . mM pH 6.9 . pH pressure 1 . atm temperature 303 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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 HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HNCO' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '4D HC(CO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '2D 15N filtered NOESY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ORF135 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.373 0.04 1 2 2 2 PRO HB2 H 2.211 0.04 2 3 2 2 PRO HG2 H 1.887 0.04 2 4 2 2 PRO HG3 H 1.887 0.04 2 5 2 2 PRO HD2 H 3.468 0.04 2 6 2 2 PRO HD3 H 3.468 0.04 2 7 2 2 PRO C C 177.061 0.40 1 8 2 2 PRO CA C 63.121 0.40 1 9 2 2 PRO CB C 32.296 0.40 1 10 2 2 PRO CG C 27.024 0.40 1 11 2 2 PRO CD C 49.640 0.40 1 12 3 3 LEU H H 8.452 0.04 1 13 3 3 LEU HA H 4.234 0.04 1 14 3 3 LEU HB2 H 1.546 0.04 2 15 3 3 LEU HB3 H 1.547 0.04 2 16 3 3 LEU HD1 H 0.812 0.04 2 17 3 3 LEU HD2 H 0.786 0.04 2 18 3 3 LEU C C 178.000 0.40 1 19 3 3 LEU CA C 55.498 0.40 1 20 3 3 LEU CB C 42.264 0.40 1 21 3 3 LEU CG C 27.001 0.40 1 22 3 3 LEU CD1 C 24.893 0.40 2 23 3 3 LEU CD2 C 23.380 0.40 2 24 3 3 LEU N N 123.116 0.40 1 25 4 4 GLY H H 8.305 0.04 1 26 4 4 GLY HA2 H 3.873 0.04 2 27 4 4 GLY HA3 H 3.873 0.04 2 28 4 4 GLY C C 174.225 0.40 1 29 4 4 GLY CA C 45.377 0.40 1 30 4 4 GLY N N 110.142 0.40 1 31 5 5 SER H H 8.087 0.04 1 32 5 5 SER HA H 3.766 0.04 1 33 5 5 SER HB2 H 4.353 0.04 2 34 5 5 SER HB3 H 4.353 0.04 2 35 5 5 SER C C 174.519 0.40 1 36 5 5 SER CA C 58.278 0.40 1 37 5 5 SER CB C 63.945 0.40 1 38 5 5 SER N N 116.034 0.40 1 39 6 6 MET H H 8.189 0.04 1 40 6 6 MET HA H 4.391 0.04 1 41 6 6 MET HB2 H 1.907 0.04 2 42 6 6 MET HB3 H 1.913 0.04 2 43 6 6 MET HG2 H 2.420 0.04 2 44 6 6 MET HG3 H 2.484 0.04 2 45 6 6 MET C C 175.810 0.40 1 46 6 6 MET CA C 55.551 0.40 1 47 6 6 MET CB C 33.513 0.40 1 48 6 6 MET CG C 32.535 0.40 1 49 6 6 MET N N 122.688 0.40 1 50 7 7 LYS H H 8.316 0.04 1 51 7 7 LYS HA H 4.217 0.04 1 52 7 7 LYS HB2 H 1.692 0.04 2 53 7 7 LYS HB3 H 1.757 0.04 2 54 7 7 LYS HG2 H 1.366 0.04 2 55 7 7 LYS HG3 H 1.415 0.04 2 56 7 7 LYS HD2 H 1.611 0.04 2 57 7 7 LYS HD3 H 1.612 0.04 2 58 7 7 LYS HE2 H 2.913 0.04 2 59 7 7 LYS HE3 H 2.913 0.04 2 60 7 7 LYS C C 175.357 0.40 1 61 7 7 LYS CA C 56.369 0.40 1 62 7 7 LYS CB C 33.235 0.40 1 63 7 7 LYS CG C 24.908 0.40 1 64 7 7 LYS CD C 29.054 0.40 1 65 7 7 LYS CE C 42.144 0.40 1 66 7 7 LYS N N 123.671 0.40 1 67 8 8 MET H H 8.233 0.04 1 68 8 8 MET HA H 5.061 0.04 1 69 8 8 MET HB2 H 1.878 0.04 2 70 8 8 MET HB3 H 1.877 0.04 2 71 8 8 MET HG2 H 2.271 0.04 2 72 8 8 MET HG3 H 2.320 0.04 2 73 8 8 MET C C 175.471 0.40 1 74 8 8 MET CA C 54.902 0.40 1 75 8 8 MET CB C 34.692 0.40 1 76 8 8 MET CG C 31.750 0.40 1 77 8 8 MET N N 122.728 0.40 1 78 9 9 ILE H H 8.825 0.04 1 79 9 9 ILE HA H 4.295 0.04 1 80 9 9 ILE HB H 1.830 0.04 1 81 9 9 ILE HG12 H 1.377 0.04 2 82 9 9 ILE HG13 H 1.061 0.04 2 83 9 9 ILE HG2 H 0.816 0.04 1 84 9 9 ILE HD1 H 0.707 0.04 1 85 9 9 ILE C C 174.250 0.40 1 86 9 9 ILE CA C 60.218 0.40 1 87 9 9 ILE CB C 39.862 0.40 1 88 9 9 ILE CG1 C 27.278 0.40 1 89 9 9 ILE CG2 C 17.502 0.40 1 90 9 9 ILE CD1 C 12.791 0.40 1 91 9 9 ILE N N 125.312 0.40 1 92 10 10 GLU H H 8.589 0.04 1 93 10 10 GLU HA H 5.161 0.04 1 94 10 10 GLU HB2 H 2.035 0.04 2 95 10 10 GLU HB3 H 2.039 0.04 2 96 10 10 GLU HG2 H 2.178 0.04 2 97 10 10 GLU HG3 H 2.345 0.04 2 98 10 10 GLU C C 175.274 0.40 1 99 10 10 GLU CA C 55.620 0.40 1 100 10 10 GLU CB C 31.486 0.40 1 101 10 10 GLU CG C 36.802 0.40 1 102 10 10 GLU N N 127.119 0.40 1 103 11 11 VAL H H 9.113 0.04 1 104 11 11 VAL HA H 4.663 0.04 1 105 11 11 VAL HB H 1.707 0.04 1 106 11 11 VAL HG1 H 0.769 0.04 2 107 11 11 VAL HG2 H 0.720 0.04 2 108 11 11 VAL C C 174.681 0.40 1 109 11 11 VAL CA C 60.489 0.40 1 110 11 11 VAL CB C 36.113 0.40 1 111 11 11 VAL CG1 C 22.324 0.40 2 112 11 11 VAL CG2 C 21.890 0.40 2 113 11 11 VAL N N 125.671 0.40 1 114 12 12 VAL H H 8.931 0.04 1 115 12 12 VAL HA H 5.694 0.04 1 116 12 12 VAL HB H 2.037 0.04 1 117 12 12 VAL HG1 H 1.073 0.04 2 118 12 12 VAL HG2 H 0.855 0.04 2 119 12 12 VAL C C 174.721 0.40 1 120 12 12 VAL CA C 58.359 0.40 1 121 12 12 VAL CB C 35.733 0.40 1 122 12 12 VAL CG1 C 22.242 0.40 2 123 12 12 VAL CG2 C 19.029 0.40 2 124 12 12 VAL N N 118.201 0.40 1 125 13 13 ALA H H 9.171 0.04 1 126 13 13 ALA HA H 4.819 0.04 1 127 13 13 ALA HB H 1.153 0.04 1 128 13 13 ALA C C 174.664 0.40 1 129 13 13 ALA CA C 50.347 0.40 1 130 13 13 ALA CB C 22.858 0.40 1 131 13 13 ALA N N 126.128 0.40 1 132 14 14 ALA H H 8.578 0.04 1 133 14 14 ALA HA H 5.012 0.04 1 134 14 14 ALA HB H 1.223 0.04 1 135 14 14 ALA C C 175.452 0.40 1 136 14 14 ALA CA C 49.833 0.40 1 137 14 14 ALA CB C 23.572 0.40 1 138 14 14 ALA N N 122.447 0.40 1 139 15 15 ILE H H 8.578 0.04 1 140 15 15 ILE HA H 3.491 0.04 1 141 15 15 ILE HB H 1.104 0.04 1 142 15 15 ILE HG12 H -0.811 0.04 2 143 15 15 ILE HG13 H 0.544 0.04 2 144 15 15 ILE HG2 H -0.496 0.04 1 145 15 15 ILE HD1 H -0.062 0.04 1 146 15 15 ILE C C 174.167 0.40 1 147 15 15 ILE CA C 60.654 0.40 1 148 15 15 ILE CB C 36.064 0.40 1 149 15 15 ILE CG1 C 25.270 0.40 1 150 15 15 ILE CG2 C 15.933 0.40 1 151 15 15 ILE CD1 C 13.500 0.40 1 152 15 15 ILE N N 124.539 0.40 1 153 16 16 ILE H H 8.919 0.04 1 154 16 16 ILE HA H 4.449 0.04 1 155 16 16 ILE HB H 1.601 0.04 1 156 16 16 ILE HG12 H 1.453 0.04 2 157 16 16 ILE HG13 H 1.454 0.04 2 158 16 16 ILE HG2 H 0.815 0.04 1 159 16 16 ILE HD1 H 0.449 0.04 1 160 16 16 ILE C C 174.190 0.40 1 161 16 16 ILE CA C 61.162 0.40 1 162 16 16 ILE CB C 38.205 0.40 1 163 16 16 ILE CG1 C 28.071 0.40 1 164 16 16 ILE CG2 C 18.212 0.40 1 165 16 16 ILE CD1 C 14.122 0.40 1 166 16 16 ILE N N 130.136 0.40 1 167 17 17 GLU H H 7.884 0.04 1 168 17 17 GLU HA H 5.870 0.04 1 169 17 17 GLU HB2 H 1.571 0.04 2 170 17 17 GLU HB3 H 2.127 0.04 2 171 17 17 GLU HG2 H 2.146 0.04 2 172 17 17 GLU HG3 H 2.145 0.04 2 173 17 17 GLU C C 175.058 0.40 1 174 17 17 GLU CA C 53.394 0.40 1 175 17 17 GLU CB C 34.937 0.40 1 176 17 17 GLU CG C 35.862 0.40 1 177 17 17 GLU N N 128.829 0.40 1 178 18 18 ARG H H 9.094 0.04 1 179 18 18 ARG HA H 4.353 0.04 1 180 18 18 ARG HB2 H 0.924 0.04 2 181 18 18 ARG HB3 H 1.388 0.04 2 182 18 18 ARG HG2 H 1.136 0.04 2 183 18 18 ARG HG3 H 1.288 0.04 2 184 18 18 ARG HD2 H 2.686 0.04 2 185 18 18 ARG HD3 H 2.775 0.04 2 186 18 18 ARG C C 175.749 0.40 1 187 18 18 ARG CA C 56.055 0.40 1 188 18 18 ARG CB C 33.141 0.40 1 189 18 18 ARG CG C 26.092 0.40 1 190 18 18 ARG CD C 43.104 0.40 1 191 18 18 ARG N N 126.992 0.40 1 192 19 19 ASP H H 9.506 0.04 1 193 19 19 ASP HA H 4.181 0.04 1 194 19 19 ASP HB2 H 2.282 0.04 2 195 19 19 ASP HB3 H 2.731 0.04 2 196 19 19 ASP C C 175.701 0.40 1 197 19 19 ASP CA C 55.481 0.40 1 198 19 19 ASP CB C 39.662 0.40 1 199 19 19 ASP N N 129.899 0.40 1 200 20 20 GLY H H 8.762 0.04 1 201 20 20 GLY HA2 H 3.739 0.04 2 202 20 20 GLY HA3 H 4.047 0.04 2 203 20 20 GLY C C 174.126 0.40 1 204 20 20 GLY CA C 45.492 0.40 1 205 20 20 GLY N N 104.046 0.40 1 206 21 21 LYS H H 7.851 0.04 1 207 21 21 LYS HA H 4.690 0.04 1 208 21 21 LYS HB2 H 1.883 0.04 2 209 21 21 LYS HB3 H 1.785 0.04 2 210 21 21 LYS HG2 H 1.115 0.04 2 211 21 21 LYS HG3 H 1.380 0.04 2 212 21 21 LYS HD2 H 1.425 0.04 2 213 21 21 LYS HD3 H 1.433 0.04 2 214 21 21 LYS HE2 H 2.905 0.04 2 215 21 21 LYS HE3 H 2.906 0.04 2 216 21 21 LYS C C 174.427 0.40 1 217 21 21 LYS CA C 54.275 0.40 1 218 21 21 LYS CB C 36.017 0.40 1 219 21 21 LYS CG C 25.736 0.40 1 220 21 21 LYS CD C 29.212 0.40 1 221 21 21 LYS CE C 42.160 0.40 1 222 21 21 LYS N N 121.455 0.40 1 223 22 22 ILE H H 9.404 0.04 1 224 22 22 ILE HA H 6.067 0.04 1 225 22 22 ILE HB H 1.623 0.04 1 226 22 22 ILE HG12 H 1.359 0.04 2 227 22 22 ILE HG13 H 0.930 0.04 2 228 22 22 ILE HG2 H 0.587 0.04 1 229 22 22 ILE HD1 H 0.650 0.04 1 230 22 22 ILE C C 175.067 0.40 1 231 22 22 ILE CA C 58.146 0.40 1 232 22 22 ILE CB C 41.711 0.40 1 233 22 22 ILE CG1 C 25.475 0.40 1 234 22 22 ILE CG2 C 18.057 0.40 1 235 22 22 ILE CD1 C 15.103 0.40 1 236 22 22 ILE N N 113.560 0.40 1 237 23 23 LEU H H 7.225 0.04 1 238 23 23 LEU HA H 4.218 0.04 1 239 23 23 LEU HB2 H 1.280 0.04 2 240 23 23 LEU HB3 H -0.240 0.04 2 241 23 23 LEU HG H 0.756 0.04 1 242 23 23 LEU HD1 H 0.267 0.04 2 243 23 23 LEU HD2 H -0.489 0.04 2 244 23 23 LEU C C 176.955 0.40 1 245 23 23 LEU CA C 53.582 0.40 1 246 23 23 LEU CB C 43.100 0.40 1 247 23 23 LEU CG C 26.319 0.40 1 248 23 23 LEU CD1 C 27.103 0.40 2 249 23 23 LEU CD2 C 21.941 0.40 2 250 23 23 LEU N N 122.559 0.40 1 251 24 24 LEU H H 8.987 0.04 1 252 24 24 LEU HA H 4.550 0.04 1 253 24 24 LEU HB2 H 1.132 0.04 2 254 24 24 LEU HB3 H 1.366 0.04 2 255 24 24 LEU HG H 1.129 0.04 1 256 24 24 LEU HD1 H -0.103 0.04 2 257 24 24 LEU HD2 H 0.249 0.04 2 258 24 24 LEU C C 174.606 0.40 1 259 24 24 LEU CA C 53.194 0.40 1 260 24 24 LEU CB C 45.903 0.40 1 261 24 24 LEU CG C 26.763 0.40 1 262 24 24 LEU CD1 C 25.465 0.40 2 263 24 24 LEU CD2 C 23.138 0.40 2 264 24 24 LEU N N 127.966 0.40 1 265 25 25 ALA H H 8.644 0.04 1 266 25 25 ALA HA H 5.153 0.04 1 267 25 25 ALA HB H 0.279 0.04 1 268 25 25 ALA C C 175.898 0.40 1 269 25 25 ALA CA C 49.966 0.40 1 270 25 25 ALA CB C 20.356 0.40 1 271 25 25 ALA N N 124.146 0.40 1 272 26 26 GLN H H 8.382 0.04 1 273 26 26 GLN HA H 3.649 0.04 1 274 26 26 GLN HB2 H -1.130 0.04 2 275 26 26 GLN HB3 H 1.045 0.04 2 276 26 26 GLN HG2 H 0.309 0.04 2 277 26 26 GLN HG3 H 1.585 0.04 2 278 26 26 GLN C C 176.148 0.40 1 279 26 26 GLN CA C 55.695 0.40 1 280 26 26 GLN CB C 27.622 0.40 1 281 26 26 GLN CG C 32.583 0.40 1 282 26 26 GLN N N 126.798 0.40 1 283 27 27 ARG H H 9.113 0.04 1 284 27 27 ARG HA H 4.057 0.04 1 285 27 27 ARG C C 174.401 0.40 1 286 27 27 ARG CA C 56.057 0.40 1 287 27 27 ARG CB C 27.797 0.40 1 288 27 27 ARG N N 130.901 0.40 1 289 28 28 PRO HA H 4.232 0.04 1 290 28 28 PRO HB2 H 2.168 0.04 2 291 28 28 PRO HB3 H 1.955 0.04 2 292 28 28 PRO HG2 H 1.743 0.04 2 293 28 28 PRO HG3 H 1.834 0.04 2 294 28 28 PRO HD2 H 3.381 0.04 2 295 28 28 PRO HD3 H 3.426 0.04 2 296 28 28 PRO C C 175.854 0.40 1 297 28 28 PRO CA C 62.802 0.40 1 298 28 28 PRO CB C 32.618 0.40 1 299 28 28 PRO CG C 27.314 0.40 1 300 28 28 PRO CD C 50.805 0.40 1 301 29 29 ALA H H 8.351 0.04 1 302 29 29 ALA HA H 3.929 0.04 1 303 29 29 ALA HB H 1.259 0.04 1 304 29 29 ALA C C 177.799 0.40 1 305 29 29 ALA CA C 53.656 0.40 1 306 29 29 ALA CB C 19.007 0.40 1 307 29 29 ALA N N 122.942 0.40 1 308 30 30 GLN H H 8.190 0.04 1 309 30 30 GLN HA H 4.239 0.04 1 310 30 30 GLN HB2 H 1.931 0.04 2 311 30 30 GLN HB3 H 1.923 0.04 2 312 30 30 GLN HG2 H 2.219 0.04 2 313 30 30 GLN HG3 H 2.224 0.04 2 314 30 30 GLN C C 175.539 0.40 1 315 30 30 GLN CA C 55.737 0.40 1 316 30 30 GLN CB C 28.324 0.40 1 317 30 30 GLN CG C 33.665 0.40 1 318 30 30 GLN N N 115.534 0.40 1 319 31 31 SER H H 7.595 0.04 1 320 31 31 SER HA H 4.298 0.04 1 321 31 31 SER HB2 H 3.716 0.04 2 322 31 31 SER HB3 H 3.719 0.04 2 323 31 31 SER C C 174.238 0.40 1 324 31 31 SER CA C 58.174 0.40 1 325 31 31 SER CB C 64.415 0.40 1 326 31 31 SER N N 115.869 0.40 1 327 32 32 ASP H H 8.384 0.04 1 328 32 32 ASP HA H 4.415 0.04 1 329 32 32 ASP HB2 H 2.487 0.04 2 330 32 32 ASP HB3 H 2.572 0.04 2 331 32 32 ASP C C 176.532 0.40 1 332 32 32 ASP CA C 54.933 0.40 1 333 32 32 ASP CB C 40.664 0.40 1 334 32 32 ASP N N 120.563 0.40 1 335 33 33 GLN H H 8.439 0.04 1 336 33 33 GLN HA H 3.941 0.04 1 337 33 33 GLN HB2 H 1.957 0.04 2 338 33 33 GLN HB3 H 2.083 0.04 2 339 33 33 GLN HG2 H 2.204 0.04 2 340 33 33 GLN HG3 H 2.104 0.04 2 341 33 33 GLN C C 174.351 0.40 1 342 33 33 GLN CA C 56.130 0.40 1 343 33 33 GLN CB C 27.861 0.40 1 344 33 33 GLN CG C 34.551 0.40 1 345 33 33 GLN N N 119.908 0.40 1 346 34 34 ALA H H 7.397 0.04 1 347 34 34 ALA HA H 3.703 0.04 1 348 34 34 ALA HB H 1.293 0.04 1 349 34 34 ALA C C 179.107 0.40 1 350 34 34 ALA CA C 52.965 0.40 1 351 34 34 ALA CB C 19.717 0.40 1 352 34 34 ALA N N 121.400 0.40 1 353 35 35 GLY H H 7.485 0.04 1 354 35 35 GLY HA2 H 3.387 0.04 2 355 35 35 GLY HA3 H 3.787 0.04 2 356 35 35 GLY C C 173.819 0.40 1 357 35 35 GLY CA C 45.432 0.40 1 358 35 35 GLY N N 108.556 0.40 1 359 36 36 LEU H H 7.478 0.04 1 360 36 36 LEU HA H 4.674 0.04 1 361 36 36 LEU HB2 H 1.569 0.04 2 362 36 36 LEU HB3 H 1.345 0.04 2 363 36 36 LEU HG H 1.347 0.04 1 364 36 36 LEU HD1 H 0.789 0.04 2 365 36 36 LEU HD2 H 0.684 0.04 2 366 36 36 LEU C C 175.936 0.40 1 367 36 36 LEU CA C 54.304 0.40 1 368 36 36 LEU CB C 42.007 0.40 1 369 36 36 LEU CG C 22.521 0.40 1 370 36 36 LEU CD1 C 26.014 0.40 2 371 36 36 LEU CD2 C 22.471 0.40 2 372 36 36 LEU N N 121.540 0.40 1 373 37 37 TRP H H 8.693 0.04 1 374 37 37 TRP HA H 4.746 0.04 1 375 37 37 TRP HB2 H 2.714 0.04 2 376 37 37 TRP HB3 H 2.748 0.04 2 377 37 37 TRP HE1 H 10.554 0.04 1 378 37 37 TRP C C 174.843 0.40 1 379 37 37 TRP CA C 56.503 0.40 1 380 37 37 TRP CB C 30.552 0.40 1 381 37 37 TRP N N 122.442 0.40 1 382 37 37 TRP NE1 N 130.693 0.40 1 383 38 38 GLU H H 9.295 0.04 1 384 38 38 GLU HA H 4.987 0.04 1 385 38 38 GLU HB2 H 1.631 0.04 2 386 38 38 GLU HB3 H 2.112 0.04 2 387 38 38 GLU C C 175.418 0.40 1 388 38 38 GLU CA C 52.667 0.40 1 389 38 38 GLU CB C 34.364 0.40 1 390 38 38 GLU N N 117.910 0.40 1 391 39 39 PHE H H 7.222 0.04 1 392 39 39 PHE HA H 5.105 0.04 1 393 39 39 PHE HB2 H 2.455 0.04 2 394 39 39 PHE HB3 H 3.552 0.04 2 395 39 39 PHE C C 175.874 0.40 1 396 39 39 PHE CA C 54.319 0.40 1 397 39 39 PHE CB C 38.334 0.40 1 398 39 39 PHE N N 118.575 0.40 1 399 40 40 ALA H H 8.681 0.04 1 400 40 40 ALA HA H 4.126 0.04 1 401 40 40 ALA HB H 1.105 0.04 1 402 40 40 ALA C C 174.653 0.40 1 403 40 40 ALA CA C 52.203 0.40 1 404 40 40 ALA CB C 18.901 0.40 1 405 40 40 ALA N N 127.996 0.40 1 406 41 41 GLY H H 7.991 0.04 1 407 41 41 GLY HA2 H 4.817 0.04 2 408 41 41 GLY HA3 H 3.248 0.04 2 409 41 41 GLY C C 172.371 0.40 1 410 41 41 GLY CA C 45.125 0.40 1 411 41 41 GLY N N 106.236 0.40 1 412 42 42 GLY H H 8.083 0.04 1 413 42 42 GLY HA2 H 3.924 0.04 2 414 42 42 GLY HA3 H 4.198 0.04 2 415 42 42 GLY C C 171.441 0.40 1 416 42 42 GLY CA C 45.626 0.40 1 417 42 42 GLY N N 107.028 0.40 1 418 43 43 LYS H H 8.322 0.04 1 419 43 43 LYS HA H 4.469 0.04 1 420 43 43 LYS HB2 H 1.719 0.04 2 421 43 43 LYS HB3 H 1.719 0.04 2 422 43 43 LYS HG2 H 1.308 0.04 2 423 43 43 LYS HG3 H 1.408 0.04 2 424 43 43 LYS HD2 H 1.620 0.04 2 425 43 43 LYS HD3 H 1.618 0.04 2 426 43 43 LYS HE2 H 2.891 0.04 2 427 43 43 LYS HE3 H 2.890 0.04 2 428 43 43 LYS C C 175.278 0.40 1 429 43 43 LYS CA C 57.156 0.40 1 430 43 43 LYS CB C 33.360 0.40 1 431 43 43 LYS CG C 24.892 0.40 1 432 43 43 LYS CD C 29.680 0.40 1 433 43 43 LYS CE C 41.702 0.40 1 434 43 43 LYS N N 120.569 0.40 1 435 44 44 VAL H H 8.023 0.04 1 436 44 44 VAL HA H 3.833 0.04 1 437 44 44 VAL HB H 1.852 0.04 1 438 44 44 VAL HG1 H 0.816 0.04 1 439 44 44 VAL HG2 H 0.882 0.04 1 440 44 44 VAL C C 177.076 0.40 1 441 44 44 VAL CA C 61.722 0.40 1 442 44 44 VAL CB C 32.893 0.40 1 443 44 44 VAL CG1 C 23.213 0.40 2 444 44 44 VAL CG2 C 21.601 0.40 2 445 44 44 VAL N N 123.300 0.40 1 446 45 45 GLU H H 9.185 0.04 1 447 45 45 GLU HA H 4.491 0.04 1 448 45 45 GLU C C 175.265 0.40 1 449 45 45 GLU CA C 55.377 0.40 1 450 45 45 GLU CB C 27.831 0.40 1 451 45 45 GLU N N 131.029 0.40 1 452 46 46 PRO HA H 4.224 0.04 1 453 46 46 PRO HB2 H 1.766 0.04 2 454 46 46 PRO HB3 H 2.242 0.04 2 455 46 46 PRO HG2 H 1.978 0.04 2 456 46 46 PRO HG3 H 2.016 0.04 2 457 46 46 PRO HD2 H 3.701 0.04 2 458 46 46 PRO HD3 H 3.701 0.04 2 459 46 46 PRO C C 177.031 0.40 1 460 46 46 PRO CA C 64.907 0.40 1 461 46 46 PRO CB C 31.841 0.40 1 462 46 46 PRO CG C 27.805 0.40 1 463 46 46 PRO CD C 50.398 0.40 1 464 47 47 ASP H H 8.279 0.04 1 465 47 47 ASP HA H 4.393 0.04 1 466 47 47 ASP HB2 H 2.651 0.04 2 467 47 47 ASP HB3 H 2.729 0.04 2 468 47 47 ASP C C 174.906 0.40 1 469 47 47 ASP CA C 54.479 0.40 1 470 47 47 ASP CB C 39.988 0.40 1 471 47 47 ASP N N 115.661 0.40 1 472 48 48 GLU H H 7.660 0.04 1 473 48 48 GLU HA H 4.540 0.04 1 474 48 48 GLU HB2 H 1.981 0.04 2 475 48 48 GLU HB3 H 1.968 0.04 2 476 48 48 GLU HG2 H 2.115 0.04 2 477 48 48 GLU HG3 H 2.234 0.04 2 478 48 48 GLU C C 175.541 0.40 1 479 48 48 GLU CA C 54.888 0.40 1 480 48 48 GLU CB C 32.724 0.40 1 481 48 48 GLU CG C 36.304 0.40 1 482 48 48 GLU N N 120.180 0.40 1 483 49 49 SER H H 8.294 0.04 1 484 49 49 SER HA H 4.544 0.04 1 485 49 49 SER HB2 H 3.789 0.04 2 486 49 49 SER HB3 H 4.245 0.04 2 487 49 49 SER C C 175.392 0.40 1 488 49 49 SER CA C 56.202 0.40 1 489 49 49 SER CB C 65.267 0.40 1 490 49 49 SER N N 116.794 0.40 1 491 50 50 GLN H H 8.767 0.04 1 492 50 50 GLN HA H 3.604 0.04 1 493 50 50 GLN HB2 H 1.893 0.04 2 494 50 50 GLN HB3 H 1.890 0.04 2 495 50 50 GLN HG2 H 1.931 0.04 2 496 50 50 GLN HG3 H 2.550 0.04 2 497 50 50 GLN C C 177.744 0.40 1 498 50 50 GLN CA C 60.293 0.40 1 499 50 50 GLN CB C 28.346 0.40 1 500 50 50 GLN CG C 34.144 0.40 1 501 50 50 GLN N N 121.154 0.40 1 502 51 51 ARG H H 7.619 0.04 1 503 51 51 ARG HA H 3.018 0.04 1 504 51 51 ARG HB2 H 1.227 0.04 2 505 51 51 ARG HB3 H 1.343 0.04 2 506 51 51 ARG HG2 H 0.452 0.04 2 507 51 51 ARG HG3 H 0.905 0.04 2 508 51 51 ARG HD2 H 2.919 0.04 2 509 51 51 ARG HD3 H 2.942 0.04 2 510 51 51 ARG C C 178.019 0.40 1 511 51 51 ARG CA C 60.053 0.40 1 512 51 51 ARG CB C 30.180 0.40 1 513 51 51 ARG CG C 27.757 0.40 1 514 51 51 ARG CD C 43.299 0.40 1 515 51 51 ARG N N 115.634 0.40 1 516 52 52 GLN H H 7.315 0.04 1 517 52 52 GLN HA H 3.731 0.04 1 518 52 52 GLN HB2 H 1.945 0.04 2 519 52 52 GLN HB3 H 1.954 0.04 2 520 52 52 GLN HG2 H 2.280 0.04 2 521 52 52 GLN HG3 H 2.284 0.04 2 522 52 52 GLN C C 179.132 0.40 1 523 52 52 GLN CA C 58.479 0.40 1 524 52 52 GLN CB C 28.726 0.40 1 525 52 52 GLN CG C 34.223 0.40 1 526 52 52 GLN N N 118.222 0.40 1 527 53 53 ALA H H 8.202 0.04 1 528 53 53 ALA HA H 3.973 0.04 1 529 53 53 ALA HB H 1.428 0.04 1 530 53 53 ALA C C 178.752 0.40 1 531 53 53 ALA CA C 55.058 0.40 1 532 53 53 ALA CB C 20.495 0.40 1 533 53 53 ALA N N 123.435 0.40 1 534 54 54 LEU H H 7.788 0.04 1 535 54 54 LEU HA H 3.672 0.04 1 536 54 54 LEU HB2 H 1.258 0.04 2 537 54 54 LEU HB3 H 1.394 0.04 2 538 54 54 LEU HG H 1.253 0.04 1 539 54 54 LEU HD1 H 0.622 0.04 2 540 54 54 LEU HD2 H 0.670 0.04 2 541 54 54 LEU C C 178.147 0.40 1 542 54 54 LEU CA C 57.706 0.40 1 543 54 54 LEU CB C 41.958 0.40 1 544 54 54 LEU CG C 26.081 0.40 1 545 54 54 LEU CD1 C 26.143 0.40 2 546 54 54 LEU CD2 C 23.566 0.40 2 547 54 54 LEU N N 117.463 0.40 1 548 55 55 VAL H H 7.540 0.04 1 549 55 55 VAL HA H 3.303 0.04 1 550 55 55 VAL HB H 1.909 0.04 1 551 55 55 VAL HG1 H 0.959 0.04 2 552 55 55 VAL HG2 H 0.923 0.04 2 553 55 55 VAL C C 178.969 0.40 1 554 55 55 VAL CA C 66.932 0.40 1 555 55 55 VAL CB C 31.986 0.40 1 556 55 55 VAL CG1 C 23.346 0.40 2 557 55 55 VAL CG2 C 21.182 0.40 2 558 55 55 VAL N N 117.785 0.40 1 559 56 56 ARG H H 7.670 0.04 1 560 56 56 ARG HA H 3.912 0.04 1 561 56 56 ARG HB2 H 1.972 0.04 2 562 56 56 ARG HB3 H 1.669 0.04 2 563 56 56 ARG HG2 H 1.433 0.04 2 564 56 56 ARG HG3 H 1.458 0.04 2 565 56 56 ARG HD2 H 2.919 0.04 2 566 56 56 ARG HD3 H 3.307 0.04 2 567 56 56 ARG C C 178.561 0.40 1 568 56 56 ARG CA C 59.838 0.40 1 569 56 56 ARG CB C 29.107 0.40 1 570 56 56 ARG CG C 25.371 0.40 1 571 56 56 ARG CD C 41.766 0.40 1 572 56 56 ARG N N 121.067 0.40 1 573 57 57 GLU H H 8.686 0.04 1 574 57 57 GLU HA H 4.010 0.04 1 575 57 57 GLU HB2 H 1.692 0.04 2 576 57 57 GLU HB3 H 1.781 0.04 2 577 57 57 GLU HG2 H 1.877 0.04 2 578 57 57 GLU HG3 H 2.347 0.04 2 579 57 57 GLU C C 179.323 0.40 1 580 57 57 GLU CA C 58.987 0.40 1 581 57 57 GLU CB C 28.564 0.40 1 582 57 57 GLU CG C 34.618 0.40 1 583 57 57 GLU N N 118.639 0.40 1 584 58 58 LEU H H 8.454 0.04 1 585 58 58 LEU HA H 3.860 0.04 1 586 58 58 LEU HB2 H 1.900 0.04 2 587 58 58 LEU HB3 H 0.956 0.04 2 588 58 58 LEU HG H 1.884 0.04 1 589 58 58 LEU HD1 H 0.486 0.04 2 590 58 58 LEU HD2 H 0.518 0.04 2 591 58 58 LEU C C 179.539 0.40 1 592 58 58 LEU CA C 58.082 0.40 1 593 58 58 LEU CB C 40.015 0.40 1 594 58 58 LEU CG C 26.133 0.40 1 595 58 58 LEU CD1 C 25.413 0.40 2 596 58 58 LEU CD2 C 22.140 0.40 2 597 58 58 LEU N N 117.934 0.40 1 598 59 59 ARG H H 7.519 0.04 1 599 59 59 ARG HA H 4.315 0.04 1 600 59 59 ARG HB2 H 1.889 0.04 2 601 59 59 ARG HB3 H 1.887 0.04 2 602 59 59 ARG HG2 H 1.439 0.04 2 603 59 59 ARG HG3 H 1.397 0.04 2 604 59 59 ARG HD2 H 3.087 0.04 2 605 59 59 ARG HD3 H 3.085 0.04 2 606 59 59 ARG C C 179.796 0.40 1 607 59 59 ARG CA C 59.816 0.40 1 608 59 59 ARG CB C 30.231 0.40 1 609 59 59 ARG CG C 27.317 0.40 1 610 59 59 ARG CD C 43.288 0.40 1 611 59 59 ARG N N 122.473 0.40 1 612 60 60 GLU H H 7.926 0.04 1 613 60 60 GLU HA H 3.845 0.04 1 614 60 60 GLU HB2 H 1.980 0.04 2 615 60 60 GLU HB3 H 1.980 0.04 2 616 60 60 GLU HG2 H 2.200 0.04 2 617 60 60 GLU HG3 H 2.326 0.04 2 618 60 60 GLU C C 178.380 0.40 1 619 60 60 GLU CA C 59.151 0.40 1 620 60 60 GLU CB C 30.059 0.40 1 621 60 60 GLU CG C 36.126 0.40 1 622 60 60 GLU N N 119.493 0.40 1 623 61 61 GLU H H 8.642 0.04 1 624 61 61 GLU HA H 4.566 0.04 1 625 61 61 GLU HB2 H 2.167 0.04 2 626 61 61 GLU HB3 H 1.892 0.04 2 627 61 61 GLU HG2 H 2.506 0.04 2 628 61 61 GLU HG3 H 2.590 0.04 2 629 61 61 GLU C C 177.676 0.40 1 630 61 61 GLU CA C 57.426 0.40 1 631 61 61 GLU CB C 30.003 0.40 1 632 61 61 GLU CG C 34.726 0.40 1 633 61 61 GLU N N 115.007 0.40 1 634 62 62 LEU H H 7.665 0.04 1 635 62 62 LEU HA H 5.194 0.04 1 636 62 62 LEU HB2 H 1.736 0.04 2 637 62 62 LEU HB3 H 1.410 0.04 2 638 62 62 LEU HG H 1.303 0.04 1 639 62 62 LEU HD1 H 0.419 0.04 2 640 62 62 LEU HD2 H 0.681 0.04 2 641 62 62 LEU C C 177.027 0.40 1 642 62 62 LEU CA C 53.877 0.40 1 643 62 62 LEU CB C 44.687 0.40 1 644 62 62 LEU CG C 26.759 0.40 1 645 62 62 LEU CD1 C 26.748 0.40 2 646 62 62 LEU CD2 C 23.227 0.40 2 647 62 62 LEU N N 115.566 0.40 1 648 63 63 GLY H H 7.424 0.04 1 649 63 63 GLY HA2 H 4.271 0.04 2 650 63 63 GLY HA3 H 3.927 0.04 2 651 63 63 GLY C C 174.595 0.40 1 652 63 63 GLY CA C 46.191 0.40 1 653 63 63 GLY N N 106.817 0.40 1 654 64 64 ILE H H 6.596 0.04 1 655 64 64 ILE HA H 4.718 0.04 1 656 64 64 ILE HB H 1.554 0.04 1 657 64 64 ILE HG12 H 0.502 0.04 2 658 64 64 ILE HG13 H 0.903 0.04 2 659 64 64 ILE HG2 H 0.360 0.04 1 660 64 64 ILE HD1 H 0.001 0.04 1 661 64 64 ILE C C 174.469 0.40 1 662 64 64 ILE CA C 59.356 0.40 1 663 64 64 ILE CB C 41.221 0.40 1 664 64 64 ILE CG1 C 24.341 0.40 1 665 64 64 ILE CG2 C 18.368 0.40 1 666 64 64 ILE CD1 C 12.427 0.40 1 667 64 64 ILE N N 109.379 0.40 1 668 65 65 GLU H H 8.519 0.04 1 669 65 65 GLU HA H 4.512 0.04 1 670 65 65 GLU HB2 H 1.531 0.04 2 671 65 65 GLU HB3 H 1.791 0.04 2 672 65 65 GLU HG2 H 2.059 0.04 2 673 65 65 GLU HG3 H 2.055 0.04 2 674 65 65 GLU C C 176.338 0.40 1 675 65 65 GLU CA C 53.932 0.40 1 676 65 65 GLU CB C 29.492 0.40 1 677 65 65 GLU CG C 34.834 0.40 1 678 65 65 GLU N N 121.656 0.40 1 679 66 66 ALA H H 9.163 0.04 1 680 66 66 ALA HA H 4.263 0.04 1 681 66 66 ALA HB H 1.147 0.04 1 682 66 66 ALA C C 176.151 0.40 1 683 66 66 ALA CA C 52.488 0.40 1 684 66 66 ALA CB C 21.555 0.40 1 685 66 66 ALA N N 130.265 0.40 1 686 67 67 THR H H 8.111 0.04 1 687 67 67 THR HA H 4.217 0.04 1 688 67 67 THR HG2 H 1.033 0.04 1 689 67 67 THR C C 172.492 0.40 1 690 67 67 THR CA C 62.045 0.40 1 691 67 67 THR CB C 69.540 0.40 1 692 67 67 THR CG2 C 21.244 0.40 1 693 67 67 THR N N 119.819 0.40 1 694 68 68 VAL H H 8.407 0.04 1 695 68 68 VAL HA H 3.849 0.04 1 696 68 68 VAL HB H 1.752 0.04 1 697 68 68 VAL HG1 H 0.796 0.04 2 698 68 68 VAL HG2 H 0.644 0.04 2 699 68 68 VAL C C 176.320 0.40 1 700 68 68 VAL CA C 63.885 0.40 1 701 68 68 VAL CB C 31.447 0.40 1 702 68 68 VAL CG1 C 23.248 0.40 2 703 68 68 VAL CG2 C 22.580 0.40 2 704 68 68 VAL N N 126.359 0.40 1 705 69 69 GLY H H 9.275 0.04 1 706 69 69 GLY HA2 H 3.570 0.04 2 707 69 69 GLY HA3 H 4.506 0.04 2 708 69 69 GLY C C 173.503 0.40 1 709 69 69 GLY CA C 44.695 0.40 1 710 69 69 GLY N N 120.883 0.40 1 711 70 70 GLU H H 9.146 0.04 1 712 70 70 GLU HA H 4.409 0.04 1 713 70 70 GLU HB2 H 1.981 0.04 2 714 70 70 GLU HB3 H 2.062 0.04 2 715 70 70 GLU HG2 H 2.316 0.04 2 716 70 70 GLU HG3 H 2.319 0.04 2 717 70 70 GLU C C 175.549 0.40 1 718 70 70 GLU CA C 56.315 0.40 1 719 70 70 GLU CB C 31.366 0.40 1 720 70 70 GLU CG C 36.567 0.40 1 721 70 70 GLU N N 125.306 0.40 1 722 71 71 TYR H H 8.194 0.04 1 723 71 71 TYR HA H 3.141 0.04 1 724 71 71 TYR HB2 H 1.374 0.04 2 725 71 71 TYR HB3 H 2.064 0.04 2 726 71 71 TYR C C 175.028 0.40 1 727 71 71 TYR CA C 58.577 0.40 1 728 71 71 TYR CB C 38.028 0.40 1 729 71 71 TYR N N 125.023 0.40 1 730 72 72 VAL H H 7.923 0.04 1 731 72 72 VAL HA H 3.695 0.04 1 732 72 72 VAL HB H 1.348 0.04 1 733 72 72 VAL HG1 H 0.737 0.04 2 734 72 72 VAL HG2 H 0.673 0.04 2 735 72 72 VAL C C 174.024 0.40 1 736 72 72 VAL CA C 63.800 0.40 1 737 72 72 VAL CB C 33.233 0.40 1 738 72 72 VAL CG1 C 21.438 0.40 2 739 72 72 VAL CG2 C 20.077 0.40 2 740 72 72 VAL N N 127.340 0.40 1 741 73 73 ALA H H 6.720 0.04 1 742 73 73 ALA HA H 4.184 0.04 1 743 73 73 ALA HB H 1.216 0.04 1 744 73 73 ALA C C 173.980 0.40 1 745 73 73 ALA CA C 51.969 0.40 1 746 73 73 ALA CB C 22.233 0.40 1 747 73 73 ALA N N 116.255 0.40 1 748 74 74 SER H H 8.261 0.04 1 749 74 74 SER HA H 5.764 0.04 1 750 74 74 SER HB2 H 3.939 0.04 2 751 74 74 SER HB3 H 3.483 0.04 2 752 74 74 SER C C 173.240 0.40 1 753 74 74 SER CA C 57.101 0.40 1 754 74 74 SER CB C 66.054 0.40 1 755 74 74 SER N N 113.030 0.40 1 756 75 75 HIS H H 9.130 0.04 1 757 75 75 HIS HA H 4.763 0.04 1 758 75 75 HIS HB2 H 2.897 0.04 2 759 75 75 HIS HB3 H 2.766 0.04 2 760 75 75 HIS C C 172.930 0.40 1 761 75 75 HIS CA C 56.165 0.40 1 762 75 75 HIS CB C 33.791 0.40 1 763 75 75 HIS N N 121.652 0.40 1 764 76 76 GLN H H 7.795 0.04 1 765 76 76 GLN HA H 5.249 0.04 1 766 76 76 GLN HB2 H 1.499 0.04 2 767 76 76 GLN HB3 H 1.499 0.04 2 768 76 76 GLN HG2 H 1.737 0.04 2 769 76 76 GLN HG3 H 1.628 0.04 2 770 76 76 GLN C C 173.707 0.40 1 771 76 76 GLN CA C 54.017 0.40 1 772 76 76 GLN CB C 31.196 0.40 1 773 76 76 GLN CG C 33.881 0.40 1 774 76 76 GLN N N 126.367 0.40 1 775 77 77 ARG H H 8.406 0.04 1 776 77 77 ARG HA H 4.420 0.04 1 777 77 77 ARG HB2 H 1.633 0.04 2 778 77 77 ARG HB3 H 1.634 0.04 2 779 77 77 ARG HG2 H 1.509 0.04 2 780 77 77 ARG HG3 H 1.369 0.04 2 781 77 77 ARG HD2 H 3.043 0.04 2 782 77 77 ARG HD3 H 3.056 0.04 2 783 77 77 ARG C C 173.050 0.40 1 784 77 77 ARG CA C 54.448 0.40 1 785 77 77 ARG CB C 33.550 0.40 1 786 77 77 ARG CG C 26.596 0.40 1 787 77 77 ARG CD C 43.514 0.40 1 788 77 77 ARG N N 121.696 0.40 1 789 78 78 GLU H H 8.516 0.04 1 790 78 78 GLU HA H 4.880 0.04 1 791 78 78 GLU HB2 H 1.701 0.04 2 792 78 78 GLU HB3 H 1.847 0.04 2 793 78 78 GLU HG2 H 1.987 0.04 2 794 78 78 GLU HG3 H 1.844 0.04 2 795 78 78 GLU C C 175.981 0.40 1 796 78 78 GLU CA C 55.580 0.40 1 797 78 78 GLU CB C 30.398 0.40 1 798 78 78 GLU CG C 36.221 0.40 1 799 78 78 GLU N N 125.213 0.40 1 800 79 79 VAL H H 8.980 0.04 1 801 79 79 VAL HA H 4.164 0.04 1 802 79 79 VAL HB H 1.840 0.04 1 803 79 79 VAL HG1 H 0.818 0.04 2 804 79 79 VAL HG2 H 0.789 0.04 2 805 79 79 VAL C C 175.703 0.40 1 806 79 79 VAL CA C 61.651 0.40 1 807 79 79 VAL CB C 34.597 0.40 1 808 79 79 VAL CG1 C 20.712 0.40 2 809 79 79 VAL CG2 C 20.785 0.40 2 810 79 79 VAL N N 127.213 0.40 1 811 80 80 SER H H 9.200 0.04 1 812 80 80 SER HA H 3.913 0.04 1 813 80 80 SER C C 175.099 0.40 1 814 80 80 SER CA C 58.451 0.40 1 815 80 80 SER CB C 62.262 0.40 1 816 80 80 SER N N 123.691 0.40 1 817 81 81 GLY H H 8.807 0.04 1 818 81 81 GLY HA2 H 3.568 0.04 2 819 81 81 GLY HA3 H 4.037 0.04 2 820 81 81 GLY C C 173.586 0.40 1 821 81 81 GLY CA C 45.467 0.40 1 822 81 81 GLY N N 106.537 0.40 1 823 82 82 ARG H H 7.768 0.04 1 824 82 82 ARG HA H 4.691 0.04 1 825 82 82 ARG HB2 H 1.647 0.04 2 826 82 82 ARG HB3 H 1.642 0.04 2 827 82 82 ARG HG2 H 1.512 0.04 2 828 82 82 ARG HG3 H 1.515 0.04 2 829 82 82 ARG HD2 H 3.086 0.04 2 830 82 82 ARG HD3 H 3.001 0.04 2 831 82 82 ARG C C 173.907 0.40 1 832 82 82 ARG CA C 54.098 0.40 1 833 82 82 ARG CB C 32.697 0.40 1 834 82 82 ARG CG C 26.758 0.40 1 835 82 82 ARG CD C 43.475 0.40 1 836 82 82 ARG N N 120.091 0.40 1 837 83 83 ILE H H 8.519 0.04 1 838 83 83 ILE HA H 4.345 0.04 1 839 83 83 ILE HB H 1.669 0.04 1 840 83 83 ILE HG12 H 1.373 0.04 2 841 83 83 ILE HG13 H 0.963 0.04 2 842 83 83 ILE HG2 H 0.533 0.04 1 843 83 83 ILE HD1 H 0.631 0.04 1 844 83 83 ILE C C 174.644 0.40 1 845 83 83 ILE CA C 60.145 0.40 1 846 83 83 ILE CB C 38.309 0.40 1 847 83 83 ILE CG1 C 27.493 0.40 1 848 83 83 ILE CG2 C 17.897 0.40 1 849 83 83 ILE CD1 C 12.104 0.40 1 850 83 83 ILE N N 122.400 0.40 1 851 84 84 ILE H H 8.856 0.04 1 852 84 84 ILE HA H 4.577 0.04 1 853 84 84 ILE HB H 1.756 0.04 1 854 84 84 ILE HG12 H 1.359 0.04 2 855 84 84 ILE HG13 H 1.113 0.04 2 856 84 84 ILE HG2 H 0.726 0.04 1 857 84 84 ILE HD1 H 0.673 0.04 1 858 84 84 ILE C C 174.962 0.40 1 859 84 84 ILE CA C 59.645 0.40 1 860 84 84 ILE CB C 38.711 0.40 1 861 84 84 ILE CG1 C 27.542 0.40 1 862 84 84 ILE CG2 C 17.688 0.40 1 863 84 84 ILE CD1 C 12.603 0.40 1 864 84 84 ILE N N 127.758 0.40 1 865 85 85 HIS H H 9.133 0.04 1 866 85 85 HIS HA H 4.961 0.04 1 867 85 85 HIS HB2 H 3.245 0.04 2 868 85 85 HIS HB3 H 2.775 0.04 2 869 85 85 HIS HE1 H 9.138 0.04 1 870 85 85 HIS C C 171.832 0.40 1 871 85 85 HIS CA C 53.240 0.40 1 872 85 85 HIS CB C 31.473 0.40 1 873 85 85 HIS N N 130.573 0.40 1 874 86 86 LEU H H 8.746 0.04 1 875 86 86 LEU HA H 4.892 0.04 1 876 86 86 LEU HB2 H 1.299 0.04 2 877 86 86 LEU HB3 H 1.671 0.04 2 878 86 86 LEU HG H 1.290 0.04 1 879 86 86 LEU HD1 H 0.684 0.04 2 880 86 86 LEU HD2 H 0.724 0.04 2 881 86 86 LEU C C 175.212 0.40 1 882 86 86 LEU CA C 54.434 0.40 1 883 86 86 LEU CB C 45.461 0.40 1 884 86 86 LEU CG C 28.241 0.40 1 885 86 86 LEU CD1 C 26.820 0.40 2 886 86 86 LEU CD2 C 25.409 0.40 2 887 86 86 LEU N N 127.259 0.40 1 888 87 87 HIS H H 8.881 0.04 1 889 87 87 HIS HA H 5.074 0.04 1 890 87 87 HIS HB2 H 3.075 0.04 2 891 87 87 HIS HB3 H 3.208 0.04 2 892 87 87 HIS C C 174.560 0.40 1 893 87 87 HIS CA C 54.846 0.40 1 894 87 87 HIS CB C 34.059 0.40 1 895 87 87 HIS N N 124.311 0.40 1 896 88 88 ALA H H 9.282 0.04 1 897 88 88 ALA HA H 5.640 0.04 1 898 88 88 ALA HB H 1.058 0.04 1 899 88 88 ALA C C 175.275 0.40 1 900 88 88 ALA CA C 49.786 0.40 1 901 88 88 ALA CB C 21.262 0.40 1 902 88 88 ALA N N 125.567 0.40 1 903 89 89 TRP H H 8.597 0.04 1 904 89 89 TRP HA H 4.628 0.04 1 905 89 89 TRP HB2 H 2.574 0.04 2 906 89 89 TRP HB3 H 3.019 0.04 2 907 89 89 TRP HE1 H 10.500 0.04 1 908 89 89 TRP C C 174.087 0.40 1 909 89 89 TRP CA C 55.886 0.40 1 910 89 89 TRP CB C 32.375 0.40 1 911 89 89 TRP N N 121.706 0.40 1 912 89 89 TRP NE1 N 129.579 0.40 1 913 90 90 HIS H H 9.189 0.04 1 914 90 90 HIS HA H 4.820 0.04 1 915 90 90 HIS HB2 H 2.790 0.04 2 916 90 90 HIS HB3 H 3.477 0.04 2 917 90 90 HIS C C 174.748 0.40 1 918 90 90 HIS CA C 54.926 0.40 1 919 90 90 HIS CB C 33.694 0.40 1 920 90 90 HIS N N 124.827 0.40 1 921 91 91 VAL H H 8.475 0.04 1 922 91 91 VAL HA H 4.906 0.04 1 923 91 91 VAL C C 173.807 0.40 1 924 91 91 VAL CA C 58.915 0.40 1 925 91 91 VAL CB C 33.794 0.40 1 926 91 91 VAL N N 128.646 0.40 1 927 92 92 PRO HA H 4.523 0.04 1 928 92 92 PRO HB2 H 2.057 0.04 2 929 92 92 PRO HB3 H 1.830 0.04 2 930 92 92 PRO HG2 H 1.658 0.04 2 931 92 92 PRO HG3 H 1.832 0.04 2 932 92 92 PRO HD2 H 4.231 0.04 2 933 92 92 PRO HD3 H 4.226 0.04 2 934 92 92 PRO C C 175.108 0.40 1 935 92 92 PRO CA C 62.466 0.40 1 936 92 92 PRO CB C 32.660 0.40 1 937 92 92 PRO CG C 25.676 0.40 1 938 92 92 PRO CD C 50.375 0.40 1 939 93 93 ASP H H 7.263 0.04 1 940 93 93 ASP HA H 4.811 0.04 1 941 93 93 ASP HB2 H 2.556 0.04 2 942 93 93 ASP HB3 H 2.264 0.04 2 943 93 93 ASP C C 173.263 0.40 1 944 93 93 ASP CA C 53.280 0.40 1 945 93 93 ASP CB C 44.042 0.40 1 946 93 93 ASP N N 115.999 0.40 1 947 94 94 PHE H H 7.742 0.04 1 948 94 94 PHE HA H 5.021 0.04 1 949 94 94 PHE HB2 H 2.547 0.04 2 950 94 94 PHE HB3 H 2.996 0.04 2 951 94 94 PHE C C 172.389 0.40 1 952 94 94 PHE CA C 56.644 0.40 1 953 94 94 PHE CB C 41.341 0.40 1 954 94 94 PHE N N 114.359 0.40 1 955 95 95 HIS H H 8.407 0.04 1 956 95 95 HIS HA H 4.914 0.04 1 957 95 95 HIS HB2 H 3.028 0.04 2 958 95 95 HIS HB3 H 3.164 0.04 2 959 95 95 HIS C C 174.308 0.40 1 960 95 95 HIS CA C 54.594 0.40 1 961 95 95 HIS CB C 32.323 0.40 1 962 95 95 HIS N N 117.549 0.40 1 963 96 96 GLY H H 8.489 0.04 1 964 96 96 GLY HA2 H 3.766 0.04 2 965 96 96 GLY HA3 H 4.648 0.04 2 966 96 96 GLY C C 172.812 0.40 1 967 96 96 GLY CA C 43.669 0.40 1 968 96 96 GLY N N 111.858 0.40 1 969 97 97 THR H H 8.178 0.04 1 970 97 97 THR HA H 4.304 0.04 1 971 97 97 THR HB H 3.902 0.04 1 972 97 97 THR HG2 H 1.131 0.04 1 973 97 97 THR C C 173.147 0.40 1 974 97 97 THR CA C 61.636 0.40 1 975 97 97 THR CB C 70.069 0.40 1 976 97 97 THR CG2 C 21.602 0.40 1 977 97 97 THR N N 116.547 0.40 1 978 98 98 LEU H H 8.276 0.04 1 979 98 98 LEU HA H 4.113 0.04 1 980 98 98 LEU HB2 H 1.325 0.04 2 981 98 98 LEU HB3 H 1.488 0.04 2 982 98 98 LEU HG H 1.446 0.04 1 983 98 98 LEU HD1 H 0.801 0.04 2 984 98 98 LEU HD2 H 0.625 0.04 2 985 98 98 LEU C C 176.973 0.40 1 986 98 98 LEU CA C 55.787 0.40 1 987 98 98 LEU CB C 42.768 0.40 1 988 98 98 LEU CG C 26.538 0.40 1 989 98 98 LEU CD1 C 26.601 0.40 2 990 98 98 LEU CD2 C 26.375 0.40 2 991 98 98 LEU N N 127.612 0.40 1 992 99 99 GLN H H 8.513 0.04 1 993 99 99 GLN HA H 4.192 0.04 1 994 99 99 GLN HB2 H 1.606 0.04 2 995 99 99 GLN HB3 H 1.650 0.04 2 996 99 99 GLN HG2 H 2.005 0.04 2 997 99 99 GLN HG3 H 2.003 0.04 2 998 99 99 GLN C C 173.062 0.40 1 999 99 99 GLN CA C 54.955 0.40 1 1000 99 99 GLN CB C 31.288 0.40 1 1001 99 99 GLN CG C 33.369 0.40 1 1002 99 99 GLN N N 127.120 0.40 1 1003 100 100 ALA H H 8.399 0.04 1 1004 100 100 ALA HA H 4.652 0.04 1 1005 100 100 ALA HB H 1.182 0.04 1 1006 100 100 ALA C C 177.663 0.40 1 1007 100 100 ALA CA C 51.816 0.40 1 1008 100 100 ALA CB C 18.205 0.40 1 1009 100 100 ALA N N 126.373 0.40 1 1010 101 101 HIS H H 8.267 0.04 1 1011 101 101 HIS HA H 4.582 0.04 1 1012 101 101 HIS HB2 H 3.286 0.04 2 1013 101 101 HIS HB3 H 3.338 0.04 2 1014 101 101 HIS C C 174.995 0.40 1 1015 101 101 HIS CA C 57.749 0.40 1 1016 101 101 HIS CB C 29.523 0.40 1 1017 101 101 HIS N N 121.601 0.40 1 1018 102 102 GLU HA H 4.246 0.04 1 1019 102 102 GLU HB2 H 1.718 0.04 2 1020 102 102 GLU HB3 H 1.776 0.04 2 1021 102 102 GLU HG2 H 1.929 0.04 2 1022 102 102 GLU HG3 H 1.952 0.04 2 1023 102 102 GLU C C 176.839 0.40 1 1024 102 102 GLU CA C 56.866 0.40 1 1025 102 102 GLU CB C 31.009 0.40 1 1026 102 102 GLU CG C 35.914 0.40 1 1027 103 103 HIS H H 7.946 0.04 1 1028 103 103 HIS HA H 4.174 0.04 1 1029 103 103 HIS HB2 H 2.425 0.04 2 1030 103 103 HIS HB3 H 3.248 0.04 2 1031 103 103 HIS C C 174.164 0.40 1 1032 103 103 HIS CA C 59.192 0.40 1 1033 103 103 HIS CB C 30.463 0.40 1 1034 103 103 HIS N N 116.369 0.40 1 1035 104 104 GLN H H 8.225 0.04 1 1036 104 104 GLN HA H 4.200 0.04 1 1037 104 104 GLN HB2 H 1.923 0.04 2 1038 104 104 GLN HB3 H 1.873 0.04 2 1039 104 104 GLN HG2 H 1.923 0.04 2 1040 104 104 GLN HG3 H 1.966 0.04 2 1041 104 104 GLN C C 174.711 0.40 1 1042 104 104 GLN CA C 56.285 0.40 1 1043 104 104 GLN CB C 30.308 0.40 1 1044 104 104 GLN CG C 33.368 0.40 1 1045 104 104 GLN N N 117.258 0.40 1 1046 105 105 ALA H H 7.110 0.04 1 1047 105 105 ALA HA H 4.419 0.04 1 1048 105 105 ALA HB H 1.375 0.04 1 1049 105 105 ALA C C 174.609 0.40 1 1050 105 105 ALA CA C 51.845 0.40 1 1051 105 105 ALA CB C 22.170 0.40 1 1052 105 105 ALA N N 119.053 0.40 1 1053 106 106 LEU H H 8.259 0.04 1 1054 106 106 LEU HA H 5.354 0.04 1 1055 106 106 LEU HB2 H 1.103 0.04 2 1056 106 106 LEU HB3 H 1.578 0.04 2 1057 106 106 LEU HG H 1.409 0.04 1 1058 106 106 LEU HD1 H 0.644 0.04 2 1059 106 106 LEU HD2 H 0.659 0.04 2 1060 106 106 LEU C C 176.409 0.40 1 1061 106 106 LEU CA C 53.741 0.40 1 1062 106 106 LEU CB C 45.392 0.40 1 1063 106 106 LEU CG C 25.705 0.40 1 1064 106 106 LEU CD1 C 26.225 0.40 2 1065 106 106 LEU CD2 C 23.166 0.40 2 1066 106 106 LEU N N 119.989 0.40 1 1067 107 107 VAL H H 8.743 0.04 1 1068 107 107 VAL HA H 4.350 0.04 1 1069 107 107 VAL HB H 1.597 0.04 1 1070 107 107 VAL HG1 H 0.630 0.04 2 1071 107 107 VAL HG2 H 0.242 0.04 2 1072 107 107 VAL C C 171.797 0.40 1 1073 107 107 VAL CA C 60.905 0.40 1 1074 107 107 VAL CB C 36.181 0.40 1 1075 107 107 VAL CG1 C 21.625 0.40 2 1076 107 107 VAL CG2 C 20.646 0.40 2 1077 107 107 VAL N N 121.846 0.40 1 1078 108 108 TRP H H 8.146 0.04 1 1079 108 108 TRP HA H 5.334 0.04 1 1080 108 108 TRP HB2 H 2.789 0.04 2 1081 108 108 TRP HB3 H 2.947 0.04 2 1082 108 108 TRP HE1 H 9.777 0.04 1 1083 108 108 TRP C C 176.834 0.40 1 1084 108 108 TRP CA C 54.845 0.40 1 1085 108 108 TRP CB C 30.707 0.40 1 1086 108 108 TRP N N 124.664 0.40 1 1087 108 108 TRP NE1 N 129.010 0.40 1 1088 109 109 CYS H H 9.445 0.04 1 1089 109 109 CYS HA H 5.035 0.04 1 1090 109 109 CYS HB2 H 2.784 0.04 2 1091 109 109 CYS HB3 H 2.734 0.04 2 1092 109 109 CYS C C 173.558 0.40 1 1093 109 109 CYS CA C 55.952 0.40 1 1094 109 109 CYS CB C 30.894 0.40 1 1095 109 109 CYS N N 120.093 0.40 1 1096 110 110 SER H H 9.385 0.04 1 1097 110 110 SER HA H 4.872 0.04 1 1098 110 110 SER HB2 H 4.027 0.04 2 1099 110 110 SER HB3 H 4.309 0.04 2 1100 110 110 SER C C 173.446 0.40 1 1101 110 110 SER CA C 57.821 0.40 1 1102 110 110 SER CB C 62.395 0.40 1 1103 110 110 SER N N 120.859 0.40 1 1104 111 111 PRO HA H 4.046 0.04 1 1105 111 111 PRO HB2 H 2.076 0.04 2 1106 111 111 PRO HB3 H 2.257 0.04 2 1107 111 111 PRO HG2 H 2.331 0.04 2 1108 111 111 PRO HG3 H 1.886 0.04 2 1109 111 111 PRO HD2 H 3.998 0.04 2 1110 111 111 PRO HD3 H 4.056 0.04 2 1111 111 111 PRO C C 176.108 0.40 1 1112 111 111 PRO CA C 66.791 0.40 1 1113 111 111 PRO CB C 31.954 0.40 1 1114 111 111 PRO CG C 28.642 0.40 1 1115 111 111 PRO CD C 49.959 0.40 1 1116 112 112 GLU H H 8.752 0.04 1 1117 112 112 GLU HA H 3.816 0.04 1 1118 112 112 GLU HB2 H 1.832 0.04 2 1119 112 112 GLU HB3 H 1.956 0.04 2 1120 112 112 GLU HG2 H 2.125 0.04 2 1121 112 112 GLU HG3 H 2.349 0.04 2 1122 112 112 GLU C C 179.673 0.40 1 1123 112 112 GLU CA C 60.624 0.40 1 1124 112 112 GLU CB C 28.596 0.40 1 1125 112 112 GLU CG C 37.243 0.40 1 1126 112 112 GLU N N 113.610 0.40 1 1127 113 113 GLU H H 7.721 0.04 1 1128 113 113 GLU HA H 3.955 0.04 1 1129 113 113 GLU HB2 H 1.946 0.04 2 1130 113 113 GLU HB3 H 2.242 0.04 2 1131 113 113 GLU HG2 H 2.240 0.04 2 1132 113 113 GLU HG3 H 2.240 0.04 2 1133 113 113 GLU C C 179.419 0.40 1 1134 113 113 GLU CA C 58.326 0.40 1 1135 113 113 GLU CB C 30.516 0.40 1 1136 113 113 GLU CG C 37.237 0.40 1 1137 113 113 GLU N N 120.571 0.40 1 1138 114 114 ALA H H 8.263 0.04 1 1139 114 114 ALA HA H 3.752 0.04 1 1140 114 114 ALA HB H 1.292 0.04 1 1141 114 114 ALA C C 178.049 0.40 1 1142 114 114 ALA CA C 54.991 0.40 1 1143 114 114 ALA CB C 18.740 0.40 1 1144 114 114 ALA N N 123.836 0.40 1 1145 115 115 LEU H H 7.060 0.04 1 1146 115 115 LEU HA H 3.969 0.04 1 1147 115 115 LEU HB2 H 1.700 0.04 2 1148 115 115 LEU HB3 H 1.522 0.04 2 1149 115 115 LEU HG H 1.775 0.04 1 1150 115 115 LEU HD1 H 0.851 0.04 2 1151 115 115 LEU HD2 H 0.784 0.04 2 1152 115 115 LEU C C 178.037 0.40 1 1153 115 115 LEU CA C 56.347 0.40 1 1154 115 115 LEU CB C 42.279 0.40 1 1155 115 115 LEU CG C 26.681 0.40 1 1156 115 115 LEU CD1 C 25.511 0.40 2 1157 115 115 LEU CD2 C 23.358 0.40 2 1158 115 115 LEU N N 113.211 0.40 1 1159 116 116 GLN H H 7.583 0.04 1 1160 116 116 GLN HA H 4.189 0.04 1 1161 116 116 GLN HB2 H 1.925 0.04 2 1162 116 116 GLN HB3 H 2.117 0.04 2 1163 116 116 GLN HG2 H 2.248 0.04 2 1164 116 116 GLN HG3 H 2.273 0.04 2 1165 116 116 GLN C C 177.053 0.40 1 1166 116 116 GLN CA C 55.205 0.40 1 1167 116 116 GLN CB C 28.622 0.40 1 1168 116 116 GLN CG C 33.718 0.40 1 1169 116 116 GLN N N 114.976 0.40 1 1170 117 117 TYR H H 7.657 0.04 1 1171 117 117 TYR HA H 4.126 0.04 1 1172 117 117 TYR HB2 H 2.913 0.04 2 1173 117 117 TYR HB3 H 1.879 0.04 2 1174 117 117 TYR HD1 H 6.056 0.04 3 1175 117 117 TYR HE1 H 7.461 0.04 3 1176 117 117 TYR C C 174.398 0.40 1 1177 117 117 TYR CA C 57.628 0.40 1 1178 117 117 TYR CB C 38.221 0.40 1 1179 117 117 TYR N N 123.388 0.40 1 1180 118 118 PRO HA H 4.635 0.04 1 1181 118 118 PRO HB2 H 2.398 0.04 2 1182 118 118 PRO HB3 H 2.001 0.04 2 1183 118 118 PRO HG2 H 2.084 0.04 2 1184 118 118 PRO HG3 H 2.487 0.04 2 1185 118 118 PRO HD2 H 3.489 0.04 2 1186 118 118 PRO HD3 H 3.614 0.04 2 1187 118 118 PRO C C 173.952 0.40 1 1188 118 118 PRO CA C 61.802 0.40 1 1189 118 118 PRO CB C 28.477 0.40 1 1190 118 118 PRO CG C 28.140 0.40 1 1191 118 118 PRO CD C 49.886 0.40 1 1192 119 119 LEU H H 7.539 0.04 1 1193 119 119 LEU HA H 4.778 0.04 1 1194 119 119 LEU HB2 H 1.352 0.04 2 1195 119 119 LEU HB3 H 1.200 0.04 2 1196 119 119 LEU HG H 1.604 0.04 1 1197 119 119 LEU HD1 H 0.514 0.04 2 1198 119 119 LEU HD2 H 0.382 0.04 2 1199 119 119 LEU C C 177.407 0.40 1 1200 119 119 LEU CA C 53.718 0.40 1 1201 119 119 LEU CB C 44.021 0.40 1 1202 119 119 LEU CG C 26.870 0.40 1 1203 119 119 LEU CD1 C 26.044 0.40 2 1204 119 119 LEU CD2 C 24.430 0.40 2 1205 119 119 LEU N N 129.205 0.40 1 1206 120 120 ALA H H 8.747 0.04 1 1207 120 120 ALA HA H 4.226 0.04 1 1208 120 120 ALA HB H 1.251 0.04 1 1209 120 120 ALA C C 177.139 0.40 1 1210 120 120 ALA CA C 50.259 0.40 1 1211 120 120 ALA CB C 16.609 0.40 1 1212 120 120 ALA N N 126.591 0.40 1 1213 121 121 PRO HA H 3.993 0.04 1 1214 121 121 PRO HB2 H 2.284 0.04 2 1215 121 121 PRO HB3 H 1.767 0.04 2 1216 121 121 PRO HG2 H 1.995 0.04 2 1217 121 121 PRO HG3 H 1.998 0.04 2 1218 121 121 PRO C C 179.542 0.40 1 1219 121 121 PRO CA C 65.495 0.40 1 1220 121 121 PRO CB C 31.783 0.40 1 1221 121 121 PRO CG C 27.552 0.40 1 1222 121 121 PRO CD C 50.543 0.40 1 1223 122 122 ALA H H 8.498 0.04 1 1224 122 122 ALA HA H 3.726 0.04 1 1225 122 122 ALA HB H 1.213 0.04 1 1226 122 122 ALA C C 176.230 0.40 1 1227 122 122 ALA CA C 54.068 0.40 1 1228 122 122 ALA CB C 19.158 0.40 1 1229 122 122 ALA N N 118.748 0.40 1 1230 123 123 ASP H H 7.778 0.04 1 1231 123 123 ASP HA H 4.514 0.04 1 1232 123 123 ASP HB2 H 2.630 0.04 2 1233 123 123 ASP HB3 H 2.315 0.04 2 1234 123 123 ASP C C 177.445 0.40 1 1235 123 123 ASP CA C 54.428 0.40 1 1236 123 123 ASP CB C 39.368 0.40 1 1237 123 123 ASP N N 109.918 0.40 1 1238 124 124 ILE H H 7.329 0.04 1 1239 124 124 ILE HA H 3.511 0.04 1 1240 124 124 ILE HB H 1.901 0.04 1 1241 124 124 ILE C C 174.908 0.40 1 1242 124 124 ILE CA C 67.945 0.40 1 1243 124 124 ILE CB C 35.666 0.40 1 1244 124 124 ILE N N 121.717 0.40 1 1245 125 125 PRO HA H 4.383 0.04 1 1246 125 125 PRO HB2 H 2.125 0.04 2 1247 125 125 PRO HB3 H 1.291 0.04 2 1248 125 125 PRO HG2 H 1.309 0.04 2 1249 125 125 PRO HG3 H 1.057 0.04 2 1250 125 125 PRO HD2 H 3.500 0.04 2 1251 125 125 PRO HD3 H 3.354 0.04 2 1252 125 125 PRO C C 179.781 0.40 1 1253 125 125 PRO CA C 64.897 0.40 1 1254 125 125 PRO CB C 31.060 0.40 1 1255 125 125 PRO CG C 27.254 0.40 1 1256 125 125 PRO CD C 49.634 0.40 1 1257 126 126 LEU H H 6.491 0.04 1 1258 126 126 LEU HA H 3.817 0.04 1 1259 126 126 LEU HB2 H 2.122 0.04 2 1260 126 126 LEU HB3 H 1.077 0.04 2 1261 126 126 LEU HG H 1.867 0.04 1 1262 126 126 LEU HD1 H 0.893 0.04 2 1263 126 126 LEU HD2 H 0.582 0.04 2 1264 126 126 LEU C C 177.594 0.40 1 1265 126 126 LEU CA C 57.072 0.40 1 1266 126 126 LEU CB C 40.450 0.40 1 1267 126 126 LEU CG C 25.909 0.40 1 1268 126 126 LEU CD1 C 25.914 0.40 2 1269 126 126 LEU CD2 C 21.501 0.40 2 1270 126 126 LEU N N 116.119 0.40 1 1271 127 127 LEU H H 8.080 0.04 1 1272 127 127 LEU HA H 4.072 0.04 1 1273 127 127 LEU HB2 H 1.478 0.04 2 1274 127 127 LEU HB3 H 2.122 0.04 2 1275 127 127 LEU HG H 1.575 0.04 1 1276 127 127 LEU HD1 H 0.854 0.04 2 1277 127 127 LEU HD2 H 1.012 0.04 2 1278 127 127 LEU C C 178.931 0.40 1 1279 127 127 LEU CA C 57.688 0.40 1 1280 127 127 LEU CB C 41.046 0.40 1 1281 127 127 LEU CG C 27.312 0.40 1 1282 127 127 LEU CD1 C 27.202 0.40 2 1283 127 127 LEU CD2 C 22.851 0.40 2 1284 127 127 LEU N N 121.562 0.40 1 1285 128 128 GLU H H 8.490 0.04 1 1286 128 128 GLU HA H 3.830 0.04 1 1287 128 128 GLU HB2 H 1.860 0.04 2 1288 128 128 GLU HB3 H 1.995 0.04 2 1289 128 128 GLU HG2 H 2.383 0.04 2 1290 128 128 GLU HG3 H 2.002 0.04 2 1291 128 128 GLU C C 179.792 0.40 1 1292 128 128 GLU CA C 60.179 0.40 1 1293 128 128 GLU CB C 29.338 0.40 1 1294 128 128 GLU CG C 36.929 0.40 1 1295 128 128 GLU N N 118.859 0.40 1 1296 129 129 ALA H H 7.730 0.04 1 1297 129 129 ALA HA H 4.070 0.04 1 1298 129 129 ALA HB H 1.310 0.04 1 1299 129 129 ALA C C 180.089 0.40 1 1300 129 129 ALA CA C 54.789 0.40 1 1301 129 129 ALA CB C 18.212 0.40 1 1302 129 129 ALA N N 122.667 0.40 1 1303 130 130 PHE H H 8.036 0.04 1 1304 130 130 PHE HA H 3.877 0.04 1 1305 130 130 PHE HB2 H 3.173 0.04 2 1306 130 130 PHE HB3 H 2.933 0.04 2 1307 130 130 PHE C C 176.705 0.40 1 1308 130 130 PHE CA C 61.392 0.40 1 1309 130 130 PHE CB C 39.313 0.40 1 1310 130 130 PHE N N 120.937 0.40 1 1311 131 131 MET H H 8.483 0.04 1 1312 131 131 MET HA H 3.570 0.04 1 1313 131 131 MET HB2 H 2.380 0.04 2 1314 131 131 MET HB3 H 2.713 0.04 2 1315 131 131 MET HG2 H 2.080 0.04 2 1316 131 131 MET HG3 H 1.999 0.04 2 1317 131 131 MET C C 178.732 0.40 1 1318 131 131 MET CA C 59.287 0.40 1 1319 131 131 MET CB C 32.896 0.40 1 1320 131 131 MET CG C 32.826 0.40 1 1321 131 131 MET N N 117.824 0.40 1 1322 132 132 ALA H H 7.729 0.04 1 1323 132 132 ALA HA H 4.039 0.04 1 1324 132 132 ALA HB H 1.354 0.04 1 1325 132 132 ALA C C 180.055 0.40 1 1326 132 132 ALA CA C 54.730 0.40 1 1327 132 132 ALA CB C 17.745 0.40 1 1328 132 132 ALA N N 122.806 0.40 1 1329 133 133 LEU H H 7.555 0.04 1 1330 133 133 LEU HA H 3.959 0.04 1 1331 133 133 LEU HB2 H 1.553 0.04 2 1332 133 133 LEU HB3 H 1.522 0.04 2 1333 133 133 LEU HG H 1.534 0.04 1 1334 133 133 LEU HD1 H 0.800 0.04 2 1335 133 133 LEU HD2 H 0.729 0.04 2 1336 133 133 LEU C C 179.234 0.40 1 1337 133 133 LEU CA C 57.401 0.40 1 1338 133 133 LEU CB C 42.033 0.40 1 1339 133 133 LEU CG C 26.682 0.40 1 1340 133 133 LEU CD1 C 24.915 0.40 2 1341 133 133 LEU CD2 C 24.049 0.40 2 1342 133 133 LEU N N 120.658 0.40 1 1343 134 134 ARG H H 7.484 0.04 1 1344 134 134 ARG HA H 3.802 0.04 1 1345 134 134 ARG HB2 H 1.429 0.04 2 1346 134 134 ARG HB3 H 1.339 0.04 2 1347 134 134 ARG HG2 H 1.062 0.04 2 1348 134 134 ARG HG3 H 1.064 0.04 2 1349 134 134 ARG HD2 H 2.716 0.04 2 1350 134 134 ARG HD3 H 2.670 0.04 2 1351 134 134 ARG C C 177.268 0.40 1 1352 134 134 ARG CA C 56.795 0.40 1 1353 134 134 ARG CB C 29.689 0.40 1 1354 134 134 ARG CG C 26.567 0.40 1 1355 134 134 ARG CD C 42.718 0.40 1 1356 134 134 ARG N N 118.564 0.40 1 1357 135 135 ALA H H 7.443 0.04 1 1358 135 135 ALA HA H 4.073 0.04 1 1359 135 135 ALA HB H 1.299 0.04 1 1360 135 135 ALA C C 177.601 0.40 1 1361 135 135 ALA CA C 53.004 0.40 1 1362 135 135 ALA CB C 18.558 0.40 1 1363 135 135 ALA N N 122.068 0.40 1 1364 136 136 ALA H H 7.428 0.04 1 1365 136 136 ALA HA H 4.196 0.04 1 1366 136 136 ALA HB H 1.304 0.04 1 1367 136 136 ALA C C 177.318 0.40 1 1368 136 136 ALA CA C 52.227 0.40 1 1369 136 136 ALA CB C 18.989 0.40 1 1370 136 136 ALA N N 121.219 0.40 1 1371 137 137 ARG H H 7.719 0.04 1 1372 137 137 ARG HA H 4.500 0.04 1 1373 137 137 ARG HB2 H 1.635 0.04 2 1374 137 137 ARG HB3 H 1.739 0.04 2 1375 137 137 ARG C C 173.955 0.40 1 1376 137 137 ARG CA C 54.133 0.40 1 1377 137 137 ARG CB C 30.147 0.40 1 1378 137 137 ARG N N 121.703 0.40 1 1379 138 138 PRO HA H 4.328 0.04 1 1380 138 138 PRO HB2 H 1.862 0.04 2 1381 138 138 PRO HB3 H 2.213 0.04 2 1382 138 138 PRO HG2 H 1.942 0.04 2 1383 138 138 PRO HG3 H 1.908 0.04 2 1384 138 138 PRO HD2 H 3.693 0.04 2 1385 138 138 PRO HD3 H 3.514 0.04 2 1386 138 138 PRO C C 176.507 0.40 1 1387 138 138 PRO CA C 63.080 0.40 1 1388 138 138 PRO CB C 32.162 0.40 1 1389 138 138 PRO CG C 27.338 0.40 1 1390 138 138 PRO CD C 50.539 0.40 1 1391 139 139 ALA H H 8.305 0.04 1 1392 139 139 ALA HA H 4.213 0.04 1 1393 139 139 ALA HB H 1.293 0.04 1 1394 139 139 ALA C C 176.597 0.40 1 1395 139 139 ALA CA C 52.288 0.40 1 1396 139 139 ALA CB C 19.303 0.40 1 1397 139 139 ALA N N 125.624 0.40 1 1398 140 140 ASP H H 7.785 0.04 1 1399 140 140 ASP HA H 4.242 0.04 1 1400 140 140 ASP HB2 H 2.444 0.04 2 1401 140 140 ASP HB3 H 2.550 0.04 2 1402 140 140 ASP CA C 55.758 0.40 1 1403 140 140 ASP CB C 42.178 0.40 1 1404 140 140 ASP N N 125.911 0.40 1 stop_ save_