data_19893 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments and structure of Q4D059, a hypothetical protein from Trypanosoma cruzi ; _BMRB_accession_number 19893 _BMRB_flat_file_name bmr19893.str _Entry_type original _Submission_date 2014-04-07 _Accession_date 2014-04-07 _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 Lopez Aracelys . . 2 Pires 'Jose Ricardo' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 426 "13C chemical shifts" 335 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-16 original author . stop_ _Original_release_date 2015-03-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C resonance assignments and secondary structure prediction of Q4D059, a conserved and specific hypothetical protein from Trypanosoma cruzi' _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 Lopez Aracelys . . 2 Pires 'Jose Ricardo' . . stop_ _Journal_abbreviation 'Biomol. 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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Q4D059, a hypothetical protein from Trypanosoma cruzi' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HP_Q4D059 $HP_Q4D059 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_HP_Q4D059 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HP_Q4D059 _Molecular_mass 10429.040 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GSAMGHMPAVDVEIHFPLKR IAAEGYAEDELLLNQMGKVN DTPEEEGMPLRAWVIKCAHE ALEKNPKIREVYLKPRAVKN SSVQFHVIFDEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 ALA 4 4 MET 5 5 GLY 6 6 HIS 7 7 MET 8 8 PRO 9 9 ALA 10 10 VAL 11 11 ASP 12 12 VAL 13 13 GLU 14 14 ILE 15 15 HIS 16 16 PHE 17 17 PRO 18 18 LEU 19 19 LYS 20 20 ARG 21 21 ILE 22 22 ALA 23 23 ALA 24 24 GLU 25 25 GLY 26 26 TYR 27 27 ALA 28 28 GLU 29 29 ASP 30 30 GLU 31 31 LEU 32 32 LEU 33 33 LEU 34 34 ASN 35 35 GLN 36 36 MET 37 37 GLY 38 38 LYS 39 39 VAL 40 40 ASN 41 41 ASP 42 42 THR 43 43 PRO 44 44 GLU 45 45 GLU 46 46 GLU 47 47 GLY 48 48 MET 49 49 PRO 50 50 LEU 51 51 ARG 52 52 ALA 53 53 TRP 54 54 VAL 55 55 ILE 56 56 LYS 57 57 CYS 58 58 ALA 59 59 HIS 60 60 GLU 61 61 ALA 62 62 LEU 63 63 GLU 64 64 LYS 65 65 ASN 66 66 PRO 67 67 LYS 68 68 ILE 69 69 ARG 70 70 GLU 71 71 VAL 72 72 TYR 73 73 LEU 74 74 LYS 75 75 PRO 76 76 ARG 77 77 ALA 78 78 VAL 79 79 LYS 80 80 ASN 81 81 SER 82 82 SER 83 83 VAL 84 84 GLN 85 85 PHE 86 86 HIS 87 87 VAL 88 88 ILE 89 89 PHE 90 90 ASP 91 91 GLU 92 92 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-03 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MNI "Chemical Shift Assignments And Structure Of Q4d059, A Hypothetical Protein From Trypanosoma Cruzi" 100.00 92 100.00 100.00 2.59e-60 GB EAN85913 "hypothetical protein, conserved [Trypanosoma cruzi]" 93.48 86 100.00 100.00 2.78e-55 REF XP_807764 "hypothetical protein [Trypanosoma cruzi strain CL Brener]" 93.48 86 100.00 100.00 2.78e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HP_Q4D059 kinetoplastids 5693 Eukaryota . Trypanosoma cruzi 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 $HP_Q4D059 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pGEX-4T2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Q4D059_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HP_Q4D059 0.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_Q4D059_15N_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HP_Q4D059 0.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_Q4D059_1H _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HP_Q4D059 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ 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_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'data analysis' 'structure solution' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $Q4D059_15N save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Q4D059_1H save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Q4D059_1H save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Q4D059_15N_13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Q4D059_15N_13C save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Q4D059_15N_13C save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $Q4D059_15N_13C save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Q4D059_15N_13C save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Q4D059_15N save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Q4D059_15N save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $Q4D059_15N_13C save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $Q4D059_15N_13C save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $Q4D059_15N_13C 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' 50 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCCH-COSY' stop_ loop_ _Sample_label $Q4D059_15N $Q4D059_1H $Q4D059_15N_13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HP_Q4D059 _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 8 8 PRO HA H 4.352 0.040 1 2 8 8 PRO HB2 H 1.86 0.040 2 3 8 8 PRO HB3 H 2.254 0.040 2 4 8 8 PRO HG2 H 1.985 0.040 2 5 8 8 PRO HG3 H 1.951 0.040 2 6 8 8 PRO HD2 H 3.729 0.040 2 7 8 8 PRO HD3 H 3.632 0.040 2 8 8 8 PRO C C 176.467 0.500 1 9 8 8 PRO CA C 63.363 0.500 1 10 8 8 PRO CB C 32.389 0.500 1 11 8 8 PRO CG C 26.959 0.500 1 12 8 8 PRO CD C 51.302 0.500 1 13 9 9 ALA H H 8.301 0.040 1 14 9 9 ALA HA H 4.407 0.040 1 15 9 9 ALA HB H 1.305 0.040 1 16 9 9 ALA C C 177.826 0.500 1 17 9 9 ALA CA C 52.552 0.500 1 18 9 9 ALA CB C 19.854 0.500 1 19 9 9 ALA N N 124.419 0.500 1 20 10 10 VAL H H 8.095 0.040 1 21 10 10 VAL HA H 4.159 0.040 1 22 10 10 VAL HB H 2.028 0.040 1 23 10 10 VAL HG1 H 0.928 0.040 2 24 10 10 VAL C C 175.233 0.500 1 25 10 10 VAL CA C 62.133 0.500 1 26 10 10 VAL CB C 33.82 0.500 1 27 10 10 VAL CG1 C 21.405 0.500 2 28 10 10 VAL N N 120.778 0.500 1 29 11 11 ASP H H 8.285 0.040 1 30 11 11 ASP HA H 5.032 0.040 1 31 11 11 ASP HB2 H 2.554 0.040 2 32 11 11 ASP C C 176.892 0.500 1 33 11 11 ASP CA C 54.593 0.500 1 34 11 11 ASP CB C 42.662 0.500 1 35 11 11 ASP N N 125.133 0.500 1 36 12 12 VAL H H 8.615 0.040 1 37 12 12 VAL HA H 4.125 0.040 1 38 12 12 VAL HB H 1.911 0.040 1 39 12 12 VAL HG1 H 0.944 0.040 2 40 12 12 VAL HG2 H 0.81 0.040 2 41 12 12 VAL C C 175.226 0.500 1 42 12 12 VAL CA C 62.622 0.500 1 43 12 12 VAL CB C 33.328 0.500 1 44 12 12 VAL CG1 C 21.684 0.500 2 45 12 12 VAL CG2 C 21.55 0.500 2 46 12 12 VAL N N 124.553 0.500 1 47 13 13 GLU H H 8.796 0.040 1 48 13 13 GLU HA H 5.091 0.040 1 49 13 13 GLU HB2 H 2.073 0.040 2 50 13 13 GLU HG2 H 2.044 0.040 2 51 13 13 GLU C C 175.853 0.500 1 52 13 13 GLU CA C 56.269 0.500 1 53 13 13 GLU CB C 31.636 0.500 1 54 13 13 GLU N N 130.776 0.500 1 55 14 14 ILE H H 8.602 0.040 1 56 14 14 ILE HA H 4.373 0.040 1 57 14 14 ILE HB H 1.263 0.040 1 58 14 14 ILE HG2 H 0.142 0.040 1 59 14 14 ILE HD1 H 0.814 0.040 1 60 14 14 ILE C C 174.048 0.500 1 61 14 14 ILE CA C 58.779 0.500 1 62 14 14 ILE CB C 41.986 0.500 1 63 14 14 ILE CG2 C 18.371 0.500 1 64 14 14 ILE CD1 C 13.22 0.500 1 65 14 14 ILE N N 128.969 0.500 1 66 15 15 HIS H H 8.926 0.040 1 67 15 15 HIS HA H 5.254 0.040 1 68 15 15 HIS HB2 H 3.42 0.040 2 69 15 15 HIS HB3 H 2.827 0.040 2 70 15 15 HIS HD2 H 7.093 0.040 1 71 15 15 HIS HE1 H 8.514 0.040 1 72 15 15 HIS C C 174.83 0.500 1 73 15 15 HIS CA C 54.387 0.500 1 74 15 15 HIS CB C 30.504 0.500 1 75 15 15 HIS CD2 C 120.291 0.500 1 76 15 15 HIS CE1 C 136.059 0.500 1 77 15 15 HIS N N 124.354 0.500 1 78 16 16 PHE H H 8.758 0.040 1 79 16 16 PHE HA H 5.601 0.040 1 80 16 16 PHE HB2 H 2.896 0.040 2 81 16 16 PHE HB3 H 2.675 0.040 2 82 16 16 PHE HD1 H 7.007 0.040 3 83 16 16 PHE HE1 H 7.085 0.040 3 84 16 16 PHE HZ H 7.201 0.040 1 85 16 16 PHE CA C 51.56 0.500 1 86 16 16 PHE CB C 42.99 0.500 1 87 16 16 PHE CD1 C 131.252 0.500 3 88 16 16 PHE CE1 C 131.252 0.500 3 89 16 16 PHE CZ C 132.514 0.500 1 90 16 16 PHE N N 117.887 0.500 1 91 17 17 PRO HA H 4.759 0.040 1 92 17 17 PRO HB2 H 1.9 0.040 2 93 17 17 PRO HB3 H 2.568 0.040 2 94 17 17 PRO HG2 H 2.247 0.040 2 95 17 17 PRO HG3 H 2.085 0.040 2 96 17 17 PRO HD2 H 4.097 0.040 2 97 17 17 PRO HD3 H 3.424 0.040 2 98 17 17 PRO C C 178.833 0.500 1 99 17 17 PRO CA C 63.058 0.500 1 100 17 17 PRO CB C 31.96 0.500 1 101 17 17 PRO CG C 27.683 0.500 1 102 17 17 PRO CD C 51.366 0.500 1 103 18 18 LEU H H 9.189 0.040 1 104 18 18 LEU HA H 3.746 0.040 1 105 18 18 LEU HB2 H 1.79 0.040 2 106 18 18 LEU HB3 H 1.304 0.040 2 107 18 18 LEU HG H 1.426 0.040 1 108 18 18 LEU HD1 H 0.716 0.040 1 109 18 18 LEU C C 177.657 0.500 1 110 18 18 LEU CA C 59.042 0.500 1 111 18 18 LEU CB C 43.774 0.500 1 112 18 18 LEU CG C 27.57 0.500 1 113 18 18 LEU CD1 C 25.22 0.500 2 114 18 18 LEU N N 131.092 0.500 1 115 19 19 LYS H H 8.967 0.040 1 116 19 19 LYS HA H 3.915 0.040 1 117 19 19 LYS HB2 H 1.789 0.040 2 118 19 19 LYS HG2 H 1.438 0.040 2 119 19 19 LYS HD2 H 1.678 0.040 2 120 19 19 LYS HE3 H 2.992 0.040 2 121 19 19 LYS C C 179.58 0.500 1 122 19 19 LYS CA C 59.475 0.500 1 123 19 19 LYS CB C 32.676 0.500 1 124 19 19 LYS CG C 25.579 0.500 1 125 19 19 LYS CD C 29.449 0.500 1 126 19 19 LYS CE C 42.646 0.500 1 127 19 19 LYS N N 113.358 0.500 1 128 20 20 ARG H H 7.118 0.040 1 129 20 20 ARG HA H 4.352 0.040 1 130 20 20 ARG HB2 H 1.962 0.040 2 131 20 20 ARG HB3 H 1.724 0.040 2 132 20 20 ARG HG2 H 1.644 0.040 2 133 20 20 ARG HD2 H 3.127 0.040 2 134 20 20 ARG C C 179.148 0.500 1 135 20 20 ARG CA C 57.803 0.500 1 136 20 20 ARG CB C 31.13 0.500 1 137 20 20 ARG CD C 42.679 0.500 1 138 20 20 ARG N N 113.649 0.500 1 139 21 21 ILE H H 7.752 0.040 1 140 21 21 ILE HA H 4.318 0.040 1 141 21 21 ILE HB H 1.288 0.040 1 142 21 21 ILE HG12 H 1.003 0.040 2 143 21 21 ILE HG13 H 0.971 0.040 2 144 21 21 ILE HG2 H 0.707 0.040 1 145 21 21 ILE HD1 H 0.681 0.040 1 146 21 21 ILE C C 175.336 0.500 1 147 21 21 ILE CA C 59.592 0.500 1 148 21 21 ILE CB C 39.017 0.500 1 149 21 21 ILE CG1 C 30.889 0.500 1 150 21 21 ILE CG2 C 18.368 0.500 1 151 21 21 ILE CD1 C 16.313 0.500 1 152 21 21 ILE N N 117.305 0.500 1 153 22 22 ALA H H 7.759 0.040 1 154 22 22 ALA HA H 4.087 0.040 1 155 22 22 ALA HB H 1.277 0.040 1 156 22 22 ALA C C 177.701 0.500 1 157 22 22 ALA CA C 53.39 0.500 1 158 22 22 ALA CB C 20.048 0.500 1 159 22 22 ALA N N 123.637 0.500 1 160 23 23 ALA H H 6.732 0.040 1 161 23 23 ALA HA H 4.285 0.040 1 162 23 23 ALA HB H 1.564 0.040 1 163 23 23 ALA C C 178.285 0.500 1 164 23 23 ALA CA C 52.906 0.500 1 165 23 23 ALA CB C 20.19 0.500 1 166 23 23 ALA N N 120.182 0.500 1 167 24 24 GLU H H 8.83 0.040 1 168 24 24 GLU HA H 4.165 0.040 1 169 24 24 GLU HB2 H 2.07 0.040 2 170 24 24 GLU C C 179.026 0.500 1 171 24 24 GLU CA C 59.482 0.500 1 172 24 24 GLU CB C 29.977 0.500 1 173 24 24 GLU N N 119.837 0.500 1 174 25 25 GLY H H 8.425 0.040 1 175 25 25 GLY HA2 H 4.094 0.040 2 176 25 25 GLY HA3 H 3.671 0.040 2 177 25 25 GLY C C 176.338 0.500 1 178 25 25 GLY CA C 46.077 0.500 1 179 25 25 GLY N N 107.505 0.500 1 180 26 26 TYR H H 7.262 0.040 1 181 26 26 TYR HA H 4.256 0.040 1 182 26 26 TYR HB2 H 3.493 0.040 2 183 26 26 TYR HB3 H 2.57 0.040 2 184 26 26 TYR HD2 H 7.026 0.040 3 185 26 26 TYR HE2 H 6.913 0.040 3 186 26 26 TYR C C 176.005 0.500 1 187 26 26 TYR CA C 60.714 0.500 1 188 26 26 TYR CB C 37.497 0.500 1 189 26 26 TYR CD2 C 131.279 0.500 3 190 26 26 TYR CE2 C 118.485 0.500 3 191 26 26 TYR N N 119.505 0.500 1 192 27 27 ALA H H 6.867 0.040 1 193 27 27 ALA HA H 3.464 0.040 1 194 27 27 ALA HB H 0.768 0.040 1 195 27 27 ALA C C 178.55 0.500 1 196 27 27 ALA CA C 54.172 0.500 1 197 27 27 ALA CB C 18.075 0.500 1 198 27 27 ALA N N 122.574 0.500 1 199 28 28 GLU H H 7.285 0.040 1 200 28 28 GLU HA H 4.339 0.040 1 201 28 28 GLU HB2 H 2.2 0.040 2 202 28 28 GLU HB3 H 1.72 0.040 2 203 28 28 GLU HG2 H 1.977 0.040 2 204 28 28 GLU CA C 55.252 0.500 1 205 28 28 GLU CB C 30.445 0.500 1 206 28 28 GLU CG C 36.425 0.500 1 207 28 28 GLU N N 114.244 0.500 1 208 29 29 ASP H H 7.083 0.040 1 209 29 29 ASP HA H 4.457 0.040 1 210 29 29 ASP HB2 H 3.055 0.040 2 211 29 29 ASP HB3 H 2.479 0.040 2 212 29 29 ASP C C 177.771 0.500 1 213 29 29 ASP CA C 54.448 0.500 1 214 29 29 ASP CB C 41.689 0.500 1 215 29 29 ASP N N 120.177 0.500 1 216 30 30 GLU H H 9.081 0.040 1 217 30 30 GLU HA H 3.962 0.040 1 218 30 30 GLU HB2 H 2.078 0.040 2 219 30 30 GLU HG2 H 2.367 0.040 2 220 30 30 GLU C C 178.184 0.500 1 221 30 30 GLU CA C 59.356 0.500 1 222 30 30 GLU CB C 30.281 0.500 1 223 30 30 GLU CG C 36.223 0.500 1 224 30 30 GLU N N 129.724 0.500 1 225 31 31 LEU H H 8.323 0.040 1 226 31 31 LEU HA H 4.159 0.040 1 227 31 31 LEU HB2 H 1.822 0.040 2 228 31 31 LEU HB3 H 1.675 0.040 2 229 31 31 LEU HG H 1.69 0.040 1 230 31 31 LEU HD1 H 0.829 0.040 2 231 31 31 LEU C C 180.91 0.500 1 232 31 31 LEU CA C 59.08 0.500 1 233 31 31 LEU CB C 41.682 0.500 1 234 31 31 LEU CG C 27.189 0.500 1 235 31 31 LEU CD1 C 25.143 0.500 2 236 31 31 LEU N N 120.99 0.500 1 237 32 32 LEU H H 7.225 0.040 1 238 32 32 LEU HA H 3.952 0.040 1 239 32 32 LEU HB2 H 1.991 0.040 2 240 32 32 LEU HB3 H 0.916 0.040 2 241 32 32 LEU HG H 1.545 0.040 1 242 32 32 LEU HD1 H 0.487 0.040 2 243 32 32 LEU C C 179.086 0.500 1 244 32 32 LEU CA C 58.018 0.500 1 245 32 32 LEU CB C 40.951 0.500 1 246 32 32 LEU CD1 C 23.444 0.500 2 247 32 32 LEU N N 116.856 0.500 1 248 33 33 LEU H H 6.943 0.040 1 249 33 33 LEU HA H 3.922 0.040 1 250 33 33 LEU HB2 H 1.663 0.040 2 251 33 33 LEU HB3 H 1.598 0.040 2 252 33 33 LEU HG H 1.528 0.040 1 253 33 33 LEU HD1 H 0.828 0.040 2 254 33 33 LEU C C 181.207 0.500 1 255 33 33 LEU CA C 58.81 0.500 1 256 33 33 LEU CB C 42.112 0.500 1 257 33 33 LEU CG C 27.529 0.500 1 258 33 33 LEU CD1 C 24.728 0.500 2 259 33 33 LEU N N 117.769 0.500 1 260 34 34 ASN H H 8.32 0.040 1 261 34 34 ASN HA H 4.536 0.040 1 262 34 34 ASN HB2 H 3.024 0.040 2 263 34 34 ASN HD21 H 7.034 0.040 2 264 34 34 ASN HD22 H 7.582 0.040 2 265 34 34 ASN C C 178.881 0.500 1 266 34 34 ASN CA C 56.303 0.500 1 267 34 34 ASN CB C 38.58 0.500 1 268 34 34 ASN N N 118.848 0.500 1 269 34 34 ASN ND2 N 111.903 0.500 1 270 35 35 GLN H H 8.053 0.040 1 271 35 35 GLN HA H 4.347 0.040 1 272 35 35 GLN HB2 H 2.611 0.040 2 273 35 35 GLN HG2 H 2.862 0.040 2 274 35 35 GLN HE21 H 7.056 0.040 2 275 35 35 GLN HE22 H 7.865 0.040 2 276 35 35 GLN C C 177.483 0.500 1 277 35 35 GLN CA C 57.275 0.500 1 278 35 35 GLN CB C 29.878 0.500 1 279 35 35 GLN CG C 34.637 0.500 1 280 35 35 GLN N N 118.808 0.500 1 281 35 35 GLN NE2 N 111.816 0.500 1 282 36 36 MET H H 7.596 0.040 1 283 36 36 MET HA H 4.718 0.040 1 284 36 36 MET HB2 H 2.319 0.040 2 285 36 36 MET HG2 H 2.797 0.040 2 286 36 36 MET HG3 H 2.631 0.040 2 287 36 36 MET HE H 1.946 0.040 1 288 36 36 MET C C 177.424 0.500 1 289 36 36 MET CA C 54.879 0.500 1 290 36 36 MET CB C 31.263 0.500 1 291 36 36 MET CG C 32.076 0.500 1 292 36 36 MET CE C 16.7 0.500 1 293 36 36 MET N N 116.334 0.500 1 294 37 37 GLY H H 7.827 0.040 1 295 37 37 GLY HA2 H 3.965 0.040 2 296 37 37 GLY C C 175.666 0.500 1 297 37 37 GLY CA C 47.573 0.500 1 298 37 37 GLY N N 106.238 0.500 1 299 38 38 LYS H H 8.543 0.040 1 300 38 38 LYS HA H 4.413 0.040 1 301 38 38 LYS HB2 H 2.066 0.040 2 302 38 38 LYS HB3 H 1.743 0.040 2 303 38 38 LYS HE3 H 2.69 0.040 2 304 38 38 LYS C C 176.395 0.500 1 305 38 38 LYS CA C 56.332 0.500 1 306 38 38 LYS CB C 32.091 0.500 1 307 38 38 LYS N N 120.688 0.500 1 308 39 39 VAL H H 7.711 0.040 1 309 39 39 VAL HA H 4.077 0.040 1 310 39 39 VAL HB H 2.014 0.040 1 311 39 39 VAL HG1 H 1.123 0.040 2 312 39 39 VAL HG2 H 1.068 0.040 2 313 39 39 VAL CA C 62.829 0.500 1 314 39 39 VAL CB C 33.71 0.500 1 315 39 39 VAL CG1 C 21.757 0.500 2 316 39 39 VAL CG2 C 22.877 0.500 2 317 39 39 VAL N N 123.143 0.500 1 318 40 40 ASN H H 8.692 0.040 1 319 40 40 ASN HA H 4.783 0.040 1 320 40 40 ASN HB2 H 3.093 0.040 2 321 40 40 ASN HB3 H 2.929 0.040 2 322 40 40 ASN HD21 H 6.996 0.040 2 323 40 40 ASN HD22 H 7.723 0.040 2 324 40 40 ASN C C 174.87 0.500 1 325 40 40 ASN CA C 53.494 0.500 1 326 40 40 ASN CB C 40.393 0.500 1 327 40 40 ASN N N 125.464 0.500 1 328 40 40 ASN ND2 N 113.579 0.500 1 329 41 41 ASP H H 8.403 0.040 1 330 41 41 ASP HA H 5.133 0.040 1 331 41 41 ASP HB2 H 2.966 0.040 2 332 41 41 ASP HB3 H 2.647 0.040 2 333 41 41 ASP C C 177.048 0.500 1 334 41 41 ASP CA C 56.422 0.500 1 335 41 41 ASP CB C 43.353 0.500 1 336 41 41 ASP N N 116.195 0.500 1 337 42 42 THR H H 7.532 0.040 1 338 42 42 THR HA H 4.646 0.040 1 339 42 42 THR HB H 4.146 0.040 1 340 42 42 THR HG2 H 1.175 0.040 1 341 42 42 THR CA C 57.844 0.500 1 342 42 42 THR CB C 70.269 0.500 1 343 42 42 THR CG2 C 22.313 0.500 1 344 42 42 THR N N 111.139 0.500 1 345 43 43 PRO HA H 4.534 0.040 1 346 43 43 PRO HB2 H 2.051 0.040 2 347 43 43 PRO HB3 H 2.377 0.040 2 348 43 43 PRO HG2 H 1.903 0.040 2 349 43 43 PRO HG3 H 1.796 0.040 2 350 43 43 PRO HD2 H 3.585 0.040 2 351 43 43 PRO HD3 H 3.517 0.040 2 352 43 43 PRO C C 175.55 0.500 1 353 43 43 PRO CA C 63.124 0.500 1 354 43 43 PRO CB C 34.45 0.500 1 355 43 43 PRO CG C 26.156 0.500 1 356 43 43 PRO CD C 50.989 0.500 1 357 44 44 GLU H H 8.515 0.040 1 358 44 44 GLU HA H 4.138 0.040 1 359 44 44 GLU HB2 H 1.705 0.040 2 360 44 44 GLU HB3 H 1.615 0.040 2 361 44 44 GLU HG2 H 2.185 0.040 2 362 44 44 GLU HG3 H 2.094 0.040 2 363 44 44 GLU C C 176.266 0.500 1 364 44 44 GLU CA C 58.583 0.500 1 365 44 44 GLU CB C 30.878 0.500 1 366 44 44 GLU CG C 36.944 0.500 1 367 44 44 GLU N N 121.809 0.500 1 368 45 45 GLU H H 8.406 0.040 1 369 45 45 GLU HA H 4.352 0.040 1 370 45 45 GLU HB2 H 1.154 0.040 2 371 45 45 GLU HB3 H 0.811 0.040 2 372 45 45 GLU HG2 H 0.623 0.040 2 373 45 45 GLU HG3 H 0.251 0.040 2 374 45 45 GLU C C 175.468 0.500 1 375 45 45 GLU CA C 54.805 0.500 1 376 45 45 GLU CB C 32.425 0.500 1 377 45 45 GLU CG C 34.025 0.500 1 378 45 45 GLU N N 122.167 0.500 1 379 46 46 GLU H H 8.729 0.040 1 380 46 46 GLU HA H 3.748 0.040 1 381 46 46 GLU HB2 H 2.341 0.040 2 382 46 46 GLU HB3 H 2.188 0.040 2 383 46 46 GLU HG2 H 2.287 0.040 2 384 46 46 GLU C C 177.108 0.500 1 385 46 46 GLU CA C 57.786 0.500 1 386 46 46 GLU CB C 28.617 0.500 1 387 46 46 GLU CG C 36.896 0.500 1 388 46 46 GLU N N 123.1 0.500 1 389 47 47 GLY H H 8.513 0.040 1 390 47 47 GLY HA2 H 4.024 0.040 2 391 47 47 GLY HA3 H 3.63 0.040 2 392 47 47 GLY C C 174.278 0.500 1 393 47 47 GLY CA C 45.972 0.500 1 394 47 47 GLY N N 102.684 0.500 1 395 48 48 MET H H 8.056 0.040 1 396 48 48 MET HA H 5.004 0.040 1 397 48 48 MET HB2 H 2.328 0.040 2 398 48 48 MET HB3 H 2.219 0.040 2 399 48 48 MET HG2 H 2.761 0.040 2 400 48 48 MET HE H 2.153 0.040 1 401 48 48 MET CA C 53.307 0.500 1 402 48 48 MET CB C 35.537 0.500 1 403 48 48 MET CG C 32.109 0.500 1 404 48 48 MET CE C 17.216 0.500 1 405 48 48 MET N N 120.46 0.500 1 406 49 49 PRO HG2 H 2.204 0.040 2 407 49 49 PRO HG3 H 2.066 0.040 2 408 49 49 PRO HD2 H 3.925 0.040 2 409 49 49 PRO HD3 H 3.629 0.040 2 410 49 49 PRO CG C 28.643 0.500 1 411 49 49 PRO CD C 51.046 0.500 1 412 50 50 LEU HA H 4.151 0.040 1 413 50 50 LEU HB2 H 2.236 0.040 2 414 50 50 LEU HB3 H 1.667 0.040 2 415 50 50 LEU HG H 1.557 0.040 1 416 50 50 LEU HD1 H 1.042 0.040 2 417 50 50 LEU C C 179.381 0.500 1 418 50 50 LEU CA C 59.884 0.500 1 419 50 50 LEU CB C 40.795 0.500 1 420 50 50 LEU CG C 27.571 0.500 1 421 50 50 LEU CD1 C 26.339 0.500 2 422 51 51 ARG H H 8.076 0.040 1 423 51 51 ARG HA H 3.826 0.040 1 424 51 51 ARG HB2 H 2.256 0.040 2 425 51 51 ARG HB3 H 1.611 0.040 2 426 51 51 ARG C C 178.376 0.500 1 427 51 51 ARG CA C 61.473 0.500 1 428 51 51 ARG CB C 31.095 0.500 1 429 51 51 ARG N N 113.058 0.500 1 430 52 52 ALA H H 7.095 0.040 1 431 52 52 ALA HA H 4.09 0.040 1 432 52 52 ALA HB H 1.581 0.040 1 433 52 52 ALA C C 180.673 0.500 1 434 52 52 ALA CA C 54.971 0.500 1 435 52 52 ALA CB C 18.918 0.500 1 436 52 52 ALA N N 118.144 0.500 1 437 53 53 TRP H H 8.608 0.040 1 438 53 53 TRP HA H 4.309 0.040 1 439 53 53 TRP HB2 H 3.752 0.040 2 440 53 53 TRP HD1 H 7.136 0.040 1 441 53 53 TRP HE1 H 10.334 0.040 1 442 53 53 TRP HE3 H 7.137 0.040 1 443 53 53 TRP HZ2 H 7.504 0.040 1 444 53 53 TRP HZ3 H 6.966 0.040 1 445 53 53 TRP HH2 H 6.799 0.040 1 446 53 53 TRP CA C 62.932 0.500 1 447 53 53 TRP CB C 28.512 0.500 1 448 53 53 TRP CD1 C 127.279 0.500 1 449 53 53 TRP CE3 C 122.538 0.500 1 450 53 53 TRP CZ2 C 116.517 0.500 1 451 53 53 TRP CZ3 C 123.655 0.500 1 452 53 53 TRP CH2 C 123.134 0.500 1 453 53 53 TRP N N 121.809 0.500 1 454 53 53 TRP NE1 N 132.105 0.500 1 455 54 54 VAL H H 8.352 0.040 1 456 54 54 VAL HA H 2.844 0.040 1 457 54 54 VAL HB H 2.121 0.040 1 458 54 54 VAL HG1 H 0.581 0.040 2 459 54 54 VAL HG2 H 0.51 0.040 2 460 54 54 VAL C C 177.917 0.500 1 461 54 54 VAL CA C 67.434 0.500 1 462 54 54 VAL CB C 31.517 0.500 1 463 54 54 VAL CG1 C 21.627 0.500 2 464 54 54 VAL CG2 C 23.015 0.500 2 465 54 54 VAL N N 120.508 0.500 1 466 55 55 ILE H H 7.574 0.040 1 467 55 55 ILE HA H 3.327 0.040 1 468 55 55 ILE HB H 1.728 0.040 1 469 55 55 ILE HG12 H 1.874 0.040 2 470 55 55 ILE HG13 H 0.645 0.040 2 471 55 55 ILE HG2 H 0.838 0.040 1 472 55 55 ILE HD1 H 0.714 0.040 1 473 55 55 ILE CA C 66.79 0.500 1 474 55 55 ILE CB C 39.269 0.500 1 475 55 55 ILE CG1 C 31.754 0.500 1 476 55 55 ILE CG2 C 18.448 0.500 1 477 55 55 ILE CD1 C 14.544 0.500 1 478 55 55 ILE N N 118.131 0.500 1 479 56 56 LYS H H 8.354 0.040 1 480 56 56 LYS HA H 4.052 0.040 1 481 56 56 LYS HB2 H 2.036 0.040 2 482 56 56 LYS C C 179.574 0.500 1 483 56 56 LYS CA C 60.575 0.500 1 484 56 56 LYS CB C 33.131 0.500 1 485 56 56 LYS N N 120.517 0.500 1 486 57 57 CYS H H 8.501 0.040 1 487 57 57 CYS HA H 3.914 0.040 1 488 57 57 CYS HB2 H 2.264 0.040 2 489 57 57 CYS C C 178.985 0.500 1 490 57 57 CYS CA C 63.432 0.500 1 491 57 57 CYS CB C 27.589 0.500 1 492 57 57 CYS N N 116.239 0.500 1 493 58 58 ALA H H 8.605 0.040 1 494 58 58 ALA HA H 4.035 0.040 1 495 58 58 ALA HB H 1.612 0.040 1 496 58 58 ALA C C 177.753 0.500 1 497 58 58 ALA CA C 56.077 0.500 1 498 58 58 ALA CB C 18.229 0.500 1 499 58 58 ALA N N 123.819 0.500 1 500 59 59 HIS H H 8.132 0.040 1 501 59 59 HIS HA H 3.515 0.040 1 502 59 59 HIS HB2 H 2.756 0.040 2 503 59 59 HIS HB3 H 2.137 0.040 2 504 59 59 HIS HD2 H 6.834 0.040 1 505 59 59 HIS HE1 H 7.995 0.040 1 506 59 59 HIS C C 177.271 0.500 1 507 59 59 HIS CA C 60.7 0.500 1 508 59 59 HIS CB C 27.791 0.500 1 509 59 59 HIS CD2 C 120.646 0.500 1 510 59 59 HIS CE1 C 136.182 0.500 1 511 59 59 HIS N N 115.595 0.500 1 512 60 60 GLU H H 8.623 0.040 1 513 60 60 GLU HA H 3.774 0.040 1 514 60 60 GLU HB2 H 2.005 0.040 2 515 60 60 GLU HG2 H 2.601 0.040 2 516 60 60 GLU C C 179.157 0.500 1 517 60 60 GLU CA C 59.774 0.500 1 518 60 60 GLU CB C 29.897 0.500 1 519 60 60 GLU CG C 37.693 0.500 1 520 60 60 GLU N N 117.847 0.500 1 521 61 61 ALA H H 7.891 0.040 1 522 61 61 ALA HA H 4.063 0.040 1 523 61 61 ALA HB H 1.51 0.040 1 524 61 61 ALA CA C 55.334 0.500 1 525 61 61 ALA CB C 18.359 0.500 1 526 61 61 ALA N N 122.193 0.500 1 527 62 62 LEU H H 7.08 0.040 1 528 62 62 LEU HA H 3.961 0.040 1 529 62 62 LEU HB2 H 1.242 0.040 2 530 62 62 LEU HB3 H 1.187 0.040 2 531 62 62 LEU HG H 1.14 0.040 1 532 62 62 LEU HD1 H 0.388 0.040 2 533 62 62 LEU HD2 H 0.298 0.040 2 534 62 62 LEU C C 178.813 0.500 1 535 62 62 LEU CA C 56.519 0.500 1 536 62 62 LEU CB C 42.684 0.500 1 537 62 62 LEU CG C 27.154 0.500 1 538 62 62 LEU CD1 C 25.794 0.500 2 539 62 62 LEU CD2 C 25.25 0.500 2 540 62 62 LEU N N 120.135 0.500 1 541 63 63 GLU H H 7.594 0.040 1 542 63 63 GLU HA H 3.706 0.040 1 543 63 63 GLU HB2 H 1.801 0.040 2 544 63 63 GLU HG2 H 2.016 0.040 2 545 63 63 GLU C C 179.261 0.500 1 546 63 63 GLU CA C 59.196 0.500 1 547 63 63 GLU CB C 30.065 0.500 1 548 63 63 GLU CG C 36.961 0.500 1 549 63 63 GLU N N 118.288 0.500 1 550 64 64 LYS H H 7.342 0.040 1 551 64 64 LYS HA H 4.077 0.040 1 552 64 64 LYS HB2 H 1.851 0.040 2 553 64 64 LYS C C 177.763 0.500 1 554 64 64 LYS N N 116.167 0.500 1 555 65 65 ASN H H 7.48 0.040 1 556 65 65 ASN HA H 4.955 0.040 1 557 65 65 ASN HB2 H 3.056 0.040 2 558 65 65 ASN HB3 H 2.756 0.040 2 559 65 65 ASN HD21 H 7.06 0.040 2 560 65 65 ASN HD22 H 7.733 0.040 2 561 65 65 ASN CA C 50.853 0.500 1 562 65 65 ASN CB C 39.463 0.500 1 563 65 65 ASN N N 113.899 0.500 1 564 65 65 ASN ND2 N 111.997 0.500 1 565 66 66 PRO HA H 4.595 0.040 1 566 66 66 PRO HB2 H 1.914 0.040 2 567 66 66 PRO HB3 H 2.383 0.040 2 568 66 66 PRO HG2 H 2.019 0.040 2 569 66 66 PRO HG3 H 1.935 0.040 2 570 66 66 PRO HD2 H 3.737 0.040 2 571 66 66 PRO HD3 H 3.456 0.040 2 572 66 66 PRO C C 177.769 0.500 1 573 66 66 PRO CA C 64.477 0.500 1 574 66 66 PRO CB C 32.84 0.500 1 575 66 66 PRO CG C 27.423 0.500 1 576 66 66 PRO CD C 50.942 0.500 1 577 67 67 LYS H H 7.611 0.040 1 578 67 67 LYS HA H 4.264 0.040 1 579 67 67 LYS HB2 H 1.941 0.040 2 580 67 67 LYS HB3 H 1.823 0.040 2 581 67 67 LYS HG2 H 1.406 0.040 2 582 67 67 LYS HG3 H 1.482 0.040 2 583 67 67 LYS HD2 H 1.669 0.040 2 584 67 67 LYS HE3 H 2.995 0.040 2 585 67 67 LYS C C 178.271 0.500 1 586 67 67 LYS CA C 55.906 0.500 1 587 67 67 LYS CB C 33.131 0.500 1 588 67 67 LYS CG C 24.641 0.500 1 589 67 67 LYS CD C 29.466 0.500 1 590 67 67 LYS CE C 41.869 0.500 1 591 67 67 LYS N N 115.189 0.500 1 592 68 68 ILE H H 7.662 0.040 1 593 68 68 ILE HA H 4.17 0.040 1 594 68 68 ILE HB H 2.061 0.040 1 595 68 68 ILE HG12 H 1.738 0.040 2 596 68 68 ILE HG13 H 1.484 0.040 2 597 68 68 ILE HG2 H 1.042 0.040 1 598 68 68 ILE HD1 H 0.909 0.040 1 599 68 68 ILE C C 177.006 0.500 1 600 68 68 ILE CA C 63.373 0.500 1 601 68 68 ILE CB C 39.916 0.500 1 602 68 68 ILE CG1 C 27.501 0.500 1 603 68 68 ILE CG2 C 18.676 0.500 1 604 68 68 ILE CD1 C 14.958 0.500 1 605 68 68 ILE N N 118.905 0.500 1 606 69 69 ARG H H 9.018 0.040 1 607 69 69 ARG HA H 4.956 0.040 1 608 69 69 ARG HB2 H 2.414 0.040 2 609 69 69 ARG HB3 H 1.722 0.040 2 610 69 69 ARG C C 175.294 0.500 1 611 69 69 ARG CA C 54.493 0.500 1 612 69 69 ARG CB C 31.487 0.500 1 613 69 69 ARG N N 119.69 0.500 1 614 70 70 GLU H H 7.565 0.040 1 615 70 70 GLU HA H 4.961 0.040 1 616 70 70 GLU HB2 H 2.078 0.040 2 617 70 70 GLU HB3 H 1.607 0.040 2 618 70 70 GLU HG2 H 2.188 0.040 2 619 70 70 GLU C C 174.398 0.500 1 620 70 70 GLU CA C 54.537 0.500 1 621 70 70 GLU CB C 32.85 0.500 1 622 70 70 GLU CG C 34.919 0.500 1 623 70 70 GLU N N 116.461 0.500 1 624 71 71 VAL H H 8.946 0.040 1 625 71 71 VAL HA H 4.461 0.040 1 626 71 71 VAL HB H 1.991 0.040 1 627 71 71 VAL HG1 H 0.814 0.040 2 628 71 71 VAL HG2 H 0.76 0.040 2 629 71 71 VAL CA C 61.024 0.500 1 630 71 71 VAL CB C 35.777 0.500 1 631 71 71 VAL CG1 C 21.31 0.500 2 632 71 71 VAL CG2 C 21.377 0.500 2 633 71 71 VAL N N 116.838 0.500 1 634 72 72 TYR H H 8.689 0.040 1 635 72 72 TYR HA H 5.433 0.040 1 636 72 72 TYR HB2 H 2.814 0.040 2 637 72 72 TYR HB3 H 2.666 0.040 2 638 72 72 TYR HD2 H 6.884 0.040 3 639 72 72 TYR HE2 H 6.352 0.040 3 640 72 72 TYR C C 176.183 0.500 1 641 72 72 TYR CA C 57.95 0.500 1 642 72 72 TYR CB C 40.213 0.500 1 643 72 72 TYR CD2 C 132.914 0.500 3 644 72 72 TYR CE2 C 117.662 0.500 3 645 72 72 TYR N N 125.566 0.500 1 646 73 73 LEU H H 9.202 0.040 1 647 73 73 LEU HA H 5.02 0.040 1 648 73 73 LEU HB2 H 1.95 0.040 2 649 73 73 LEU HB3 H 1.706 0.040 2 650 73 73 LEU HG H 1.454 0.040 1 651 73 73 LEU HD1 H 0.682 0.040 2 652 73 73 LEU HD2 H 0.619 0.040 2 653 73 73 LEU C C 176.134 0.500 1 654 73 73 LEU CA C 53.708 0.500 1 655 73 73 LEU CB C 46.349 0.500 1 656 73 73 LEU CD1 C 24.014 0.500 2 657 73 73 LEU CD2 C 28.614 0.500 2 658 73 73 LEU N N 122.757 0.500 1 659 74 74 LYS H H 9.205 0.040 1 660 74 74 LYS HA H 5.336 0.040 1 661 74 74 LYS HB2 H 1.998 0.040 2 662 74 74 LYS HB3 H 1.795 0.040 2 663 74 74 LYS HG2 H 1.462 0.040 2 664 74 74 LYS HG3 H 1.47 0.040 2 665 74 74 LYS HD2 H 1.692 0.040 2 666 74 74 LYS HE3 H 2.997 0.040 2 667 74 74 LYS CA C 53.473 0.500 1 668 74 74 LYS CB C 34.986 0.500 1 669 74 74 LYS CG C 25.086 0.500 1 670 74 74 LYS CD C 29.518 0.500 1 671 74 74 LYS CE C 42.26 0.500 1 672 74 74 LYS N N 124.941 0.500 1 673 75 75 PRO HA H 3.959 0.040 1 674 75 75 PRO HB3 H 1.819 0.040 2 675 75 75 PRO HG2 H 2.113 0.040 2 676 75 75 PRO HG3 H 1.893 0.040 2 677 75 75 PRO HD2 H 4.256 0.040 2 678 75 75 PRO HD3 H 3.89 0.040 2 679 75 75 PRO C C 176.549 0.500 1 680 75 75 PRO CA C 63.45 0.500 1 681 75 75 PRO CB C 32.618 0.500 1 682 75 75 PRO CG C 28.127 0.500 1 683 75 75 PRO CD C 51.551 0.500 1 684 76 76 ARG H H 10.063 0.040 1 685 76 76 ARG HA H 4.408 0.040 1 686 76 76 ARG HB2 H 1.92 0.040 2 687 76 76 ARG HB3 H 1.804 0.040 2 688 76 76 ARG HG2 H 1.703 0.040 2 689 76 76 ARG HD2 H 3.253 0.040 2 690 76 76 ARG C C 178.244 0.500 1 691 76 76 ARG CA C 56.823 0.500 1 692 76 76 ARG CB C 32.455 0.500 1 693 76 76 ARG CG C 27.449 0.500 1 694 76 76 ARG CD C 43.894 0.500 1 695 76 76 ARG N N 122.429 0.500 1 696 77 77 ALA H H 9.71 0.040 1 697 77 77 ALA HA H 4.141 0.040 1 698 77 77 ALA HB H 1.47 0.040 1 699 77 77 ALA C C 179.691 0.500 1 700 77 77 ALA CA C 54.868 0.500 1 701 77 77 ALA CB C 19.502 0.500 1 702 77 77 ALA N N 127.287 0.500 1 703 78 78 VAL H H 7.954 0.040 1 704 78 78 VAL HA H 4.021 0.040 1 705 78 78 VAL HB H 2.074 0.040 1 706 78 78 VAL HG1 H 0.94 0.040 2 707 78 78 VAL CA C 63.481 0.500 1 708 78 78 VAL CB C 32.599 0.500 1 709 78 78 VAL CG1 C 21.201 0.500 2 710 78 78 VAL N N 118.326 0.500 1 711 79 79 LYS H H 8.695 0.040 1 712 79 79 LYS CA C 59.788 0.500 1 713 79 79 LYS N N 125.429 0.500 1 714 80 80 ASN HA H 4.79 0.040 1 715 80 80 ASN HB2 H 2.93 0.040 2 716 80 80 ASN HB3 H 2.688 0.040 2 717 80 80 ASN HD21 H 6.722 0.040 2 718 80 80 ASN HD22 H 7.853 0.040 2 719 80 80 ASN C C 175.317 0.500 1 720 80 80 ASN CA C 53.704 0.500 1 721 80 80 ASN CB C 38.854 0.500 1 722 80 80 ASN ND2 N 112.529 0.500 1 723 81 81 SER H H 7.715 0.040 1 724 81 81 SER HA H 4.408 0.040 1 725 81 81 SER HB2 H 3.872 0.040 2 726 81 81 SER CA C 59.296 0.500 1 727 81 81 SER CB C 64.171 0.500 1 728 81 81 SER N N 113.408 0.500 1 729 82 82 SER H H 8.472 0.040 1 730 82 82 SER HA H 4.541 0.040 1 731 82 82 SER HB2 H 3.898 0.040 2 732 82 82 SER C C 174.196 0.500 1 733 82 82 SER CA C 58.767 0.500 1 734 82 82 SER CB C 64.382 0.500 1 735 82 82 SER N N 117.894 0.500 1 736 83 83 VAL H H 7.686 0.040 1 737 83 83 VAL HA H 4.401 0.040 1 738 83 83 VAL HB H 1.768 0.040 1 739 83 83 VAL HG1 H 0.736 0.040 2 740 83 83 VAL HG2 H 0.515 0.040 2 741 83 83 VAL C C 174.614 0.500 1 742 83 83 VAL CA C 62.532 0.500 1 743 83 83 VAL CB C 34.388 0.500 1 744 83 83 VAL CG1 C 21.602 0.500 2 745 83 83 VAL CG2 C 21.382 0.500 2 746 83 83 VAL N N 122.43 0.500 1 747 84 84 GLN H H 8.287 0.040 1 748 84 84 GLN HA H 4.787 0.040 1 749 84 84 GLN HB2 H 2.199 0.040 2 750 84 84 GLN HB3 H 1.952 0.040 2 751 84 84 GLN HG2 H 2.197 0.040 2 752 84 84 GLN HE21 H 6.517 0.040 2 753 84 84 GLN HE22 H 8.206 0.040 2 754 84 84 GLN C C 174.077 0.500 1 755 84 84 GLN CA C 55.073 0.500 1 756 84 84 GLN CB C 32.723 0.500 1 757 84 84 GLN CG C 34.565 0.500 1 758 84 84 GLN N N 123.141 0.500 1 759 84 84 GLN NE2 N 112.339 0.500 1 760 85 85 PHE H H 9.241 0.040 1 761 85 85 PHE HA H 5.288 0.040 1 762 85 85 PHE HB2 H 3.051 0.040 2 763 85 85 PHE HB3 H 2.782 0.040 2 764 85 85 PHE HD2 H 7.184 0.040 3 765 85 85 PHE HE2 H 7.254 0.040 3 766 85 85 PHE HZ H 7.299 0.040 1 767 85 85 PHE C C 175.063 0.500 1 768 85 85 PHE CA C 57.435 0.500 1 769 85 85 PHE CB C 41.208 0.500 1 770 85 85 PHE CD2 C 131.888 0.500 3 771 85 85 PHE CE2 C 131.177 0.500 3 772 85 85 PHE CZ C 132.383 0.500 1 773 85 85 PHE N N 121.281 0.500 1 774 86 86 HIS H H 9.34 0.040 1 775 86 86 HIS HA H 4.747 0.040 1 776 86 86 HIS HB2 H 3.148 0.040 2 777 86 86 HIS HB3 H 2.697 0.040 2 778 86 86 HIS C C 172.315 0.500 1 779 86 86 HIS CA C 52.353 0.500 1 780 86 86 HIS CB C 30.085 0.500 1 781 86 86 HIS N N 125.3 0.500 1 782 87 87 VAL H H 8.722 0.040 1 783 87 87 VAL HA H 4.223 0.040 1 784 87 87 VAL HB H 1.697 0.040 1 785 87 87 VAL HG1 H 0.524 0.040 2 786 87 87 VAL HG2 H 0.235 0.040 2 787 87 87 VAL C C 173.887 0.500 1 788 87 87 VAL CA C 61.138 0.500 1 789 87 87 VAL CB C 31.976 0.500 1 790 87 87 VAL CG1 C 22.584 0.500 2 791 87 87 VAL CG2 C 23.444 0.500 2 792 87 87 VAL N N 127.396 0.500 1 793 88 88 ILE H H 8.605 0.040 1 794 88 88 ILE HA H 3.785 0.040 1 795 88 88 ILE HB H 0.151 0.040 1 796 88 88 ILE HG12 H 0.351 0.040 2 797 88 88 ILE HG13 H 0.333 0.040 2 798 88 88 ILE HG2 H 0.711 0.040 1 799 88 88 ILE HD1 H 0.015 0.040 1 800 88 88 ILE C C 174.542 0.500 1 801 88 88 ILE CA C 60.42 0.500 1 802 88 88 ILE CB C 41.068 0.500 1 803 88 88 ILE CG1 C 28.104 0.500 1 804 88 88 ILE CG2 C 18.212 0.500 1 805 88 88 ILE CD1 C 14.062 0.500 1 806 88 88 ILE N N 127.814 0.500 1 807 89 89 PHE H H 7.872 0.040 1 808 89 89 PHE HA H 5.681 0.040 1 809 89 89 PHE HB2 H 2.938 0.040 2 810 89 89 PHE HB3 H 2.828 0.040 2 811 89 89 PHE HD1 H 7.028 0.040 3 812 89 89 PHE HE1 H 6.919 0.040 3 813 89 89 PHE HZ H 7.079 0.040 1 814 89 89 PHE C C 175.138 0.500 1 815 89 89 PHE CA C 53.319 0.500 1 816 89 89 PHE CB C 39.41 0.500 1 817 89 89 PHE CD1 C 131.252 0.500 3 818 89 89 PHE CE1 C 131.193 0.500 3 819 89 89 PHE CZ C 131.285 0.500 1 820 89 89 PHE N N 125.156 0.500 1 821 90 90 ASP H H 8.74 0.040 1 822 90 90 ASP HA H 4.811 0.040 1 823 90 90 ASP HB2 H 2.861 0.040 2 824 90 90 ASP HB3 H 2.502 0.040 2 825 90 90 ASP C C 176.988 0.500 1 826 90 90 ASP CA C 54.501 0.500 1 827 90 90 ASP CB C 42.286 0.500 1 828 90 90 ASP N N 125.113 0.500 1 829 91 91 GLU H H 9.028 0.040 1 830 91 91 GLU HA H 4.374 0.040 1 831 91 91 GLU HB2 H 2.237 0.040 2 832 91 91 GLU HB3 H 1.959 0.040 2 833 91 91 GLU HG2 H 2.397 0.040 2 834 91 91 GLU C C 175.801 0.500 1 835 91 91 GLU CA C 57.471 0.500 1 836 91 91 GLU CB C 31.192 0.500 1 837 91 91 GLU CG C 36.245 0.500 1 838 91 91 GLU N N 124.589 0.500 1 839 92 92 GLU H H 8.111 0.040 1 840 92 92 GLU HA H 4.171 0.040 1 841 92 92 GLU HB2 H 1.947 0.040 2 842 92 92 GLU HG2 H 2.265 0.040 2 843 92 92 GLU CA C 58.376 0.500 1 844 92 92 GLU CB C 31.986 0.500 1 845 92 92 GLU N N 126.584 0.500 1 stop_ save_