data_19168 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni ; _BMRB_accession_number 19168 _BMRB_flat_file_name bmr19168.str _Entry_type original _Submission_date 2013-04-16 _Accession_date 2013-04-16 _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 Harris R. . . 2 Ahmed M. . . 3 Attonito J. . . 4 Bonanno J. B. . 5 Chamala S. . . 6 Chowdhury S. . . 7 Evans B. . . 8 Fiser A. . . 9 Glenn A. S. . 10 Hammonds J. . . 11 Hillerich B. . . 12 Khafizov K. . . 13 Lafleur J. . . 14 Love J. D. . 15 Seidel R. D. . 16 Stead M. . . 17 Girvin M. E. . 18 Almo S. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 433 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-13 original BMRB . stop_ _Original_release_date 2013-05-02 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni ; _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 Harris R. . . 2 Ahmed M. . . 3 Attonito J. . . 4 Bonanno J. B. . 5 Chamala S. . . 6 Chowdhury S. . . 7 Evans B. . . 8 Fiser A. . . 9 Glenn A. S. . 10 Hammonds J. . . 11 Hillerich B. . . 12 Khafizov K. . . 13 Lafleur J. . . 14 Love J. D. . 15 Seidel R. D. . 16 Stead M. . . 17 Girvin M. E. . 18 Almo S. C. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of translation initiation factor IF-3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IF-3 $IF-3 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_IF-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IF-3 _Molecular_mass 11502.454 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MSLKVIDIKEIKLSVKIAQN DINYKVKHALEFLEQGKHVR FRVFLKGREMATPEAGVALL EKIWTMIENEANRDKEPNFE GRYVNMLVTPKKAEGHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 LEU 4 4 LYS 5 5 VAL 6 6 ILE 7 7 ASP 8 8 ILE 9 9 LYS 10 10 GLU 11 11 ILE 12 12 LYS 13 13 LEU 14 14 SER 15 15 VAL 16 16 LYS 17 17 ILE 18 18 ALA 19 19 GLN 20 20 ASN 21 21 ASP 22 22 ILE 23 23 ASN 24 24 TYR 25 25 LYS 26 26 VAL 27 27 LYS 28 28 HIS 29 29 ALA 30 30 LEU 31 31 GLU 32 32 PHE 33 33 LEU 34 34 GLU 35 35 GLN 36 36 GLY 37 37 LYS 38 38 HIS 39 39 VAL 40 40 ARG 41 41 PHE 42 42 ARG 43 43 VAL 44 44 PHE 45 45 LEU 46 46 LYS 47 47 GLY 48 48 ARG 49 49 GLU 50 50 MET 51 51 ALA 52 52 THR 53 53 PRO 54 54 GLU 55 55 ALA 56 56 GLY 57 57 VAL 58 58 ALA 59 59 LEU 60 60 LEU 61 61 GLU 62 62 LYS 63 63 ILE 64 64 TRP 65 65 THR 66 66 MET 67 67 ILE 68 68 GLU 69 69 ASN 70 70 GLU 71 71 ALA 72 72 ASN 73 73 ARG 74 74 ASP 75 75 LYS 76 76 GLU 77 77 PRO 78 78 ASN 79 79 PHE 80 80 GLU 81 81 GLY 82 82 ARG 83 83 TYR 84 84 VAL 85 85 ASN 86 86 MET 87 87 LEU 88 88 VAL 89 89 THR 90 90 PRO 91 91 LYS 92 92 LYS 93 93 ALA 94 94 GLU 95 95 GLY 96 96 HIS 97 97 HIS 98 98 HIS 99 99 HIS 100 100 HIS 101 101 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $IF-3 e-proteobacteria 197 Bacteria . Campylobacter jejuni CJJHB9313_0223 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $IF-3 'recombinant technology' . Escherichia coli BL21(DE3) pET 'modified pET26' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 0.1 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF-3 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Na phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20mM Na phosphate pH6.8, 50mM NaCl, 0.1mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF-3 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' 'Na phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task 'structure calcuation' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.32 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_MDDNMR _Saveframe_category software _Name MDDNMR _Version 2.2 loop_ _Vendor _Address _Electronic_address '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_MDDGUI _Saveframe_category software _Name MDDGUI _Version 1.0 loop_ _Vendor _Address _Electronic_address '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2D loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_MOLPROBITY _Saveframe_category software _Name MolProbity _Version 4.01a loop_ _Vendor _Address _Electronic_address Richardson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_1 save_ save_15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label $sample_1 save_ save_13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label $sample_2 save_ save_aromatic_13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic 13C HSQC' _Sample_label $sample_2 save_ save_13C_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label $sample_2 save_ save_13C_aromatic_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C aromatic NOESY-HSQC' _Sample_label $sample_2 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _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' 50 . mM pH 6.8 . pH pressure 1 . ATM temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.8 . 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 '15N HSQC' '13C HSQC' 'aromatic 13C HSQC' HNCO HNCACO stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IF-3 _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 4 4 LYS H H 8.380 0.002 1 2 4 4 LYS HA H 4.318 0.002 1 3 4 4 LYS HB2 H 1.741 0.004 1 4 4 4 LYS HB3 H 1.741 0.004 1 5 4 4 LYS HG2 H 1.411 0.005 1 6 4 4 LYS HG3 H 1.411 0.005 1 7 4 4 LYS HD2 H 1.666 0.010 1 8 4 4 LYS HD3 H 1.666 0.010 1 9 4 4 LYS HE2 H 2.975 0.006 1 10 4 4 LYS HE3 H 2.975 0.006 1 11 4 4 LYS C C 176.071 0.003 1 12 4 4 LYS CA C 55.946 0.026 1 13 4 4 LYS CB C 33.000 0.004 1 14 4 4 LYS CG C 24.703 0.027 1 15 4 4 LYS CD C 28.942 0.020 1 16 4 4 LYS CE C 41.840 0.020 1 17 4 4 LYS N N 123.417 0.014 1 18 5 5 VAL H H 8.190 0.002 1 19 5 5 VAL HA H 4.019 0.002 1 20 5 5 VAL HB H 1.945 0.002 1 21 5 5 VAL HG1 H 0.881 0.001 2 22 5 5 VAL HG2 H 0.825 0.002 2 23 5 5 VAL C C 175.799 0.021 1 24 5 5 VAL CA C 62.120 0.008 1 25 5 5 VAL CB C 32.757 0.009 1 26 5 5 VAL CG1 C 20.643 0.001 2 27 5 5 VAL CG2 C 21.023 0.003 2 28 5 5 VAL N N 123.289 0.037 1 29 6 6 ILE H H 8.183 0.002 1 30 6 6 ILE HA H 3.967 0.001 1 31 6 6 ILE HB H 1.466 0.002 1 32 6 6 ILE HG12 H 1.301 0.004 2 33 6 6 ILE HG13 H 0.990 0.005 2 34 6 6 ILE HG2 H 0.341 0.002 1 35 6 6 ILE HD1 H 0.694 0.001 1 36 6 6 ILE C C 175.103 0.003 1 37 6 6 ILE CA C 60.227 0.019 1 38 6 6 ILE CB C 38.565 0.014 1 39 6 6 ILE CG1 C 27.401 0.031 1 40 6 6 ILE CG2 C 16.623 0.002 1 41 6 6 ILE CD1 C 12.383 0.001 1 42 6 6 ILE N N 126.794 0.016 1 43 7 7 ASP H H 8.366 0.001 1 44 7 7 ASP HA H 4.544 0.002 1 45 7 7 ASP HB2 H 2.539 0.005 2 46 7 7 ASP HB3 H 2.438 0.003 2 47 7 7 ASP C C 174.000 0.010 1 48 7 7 ASP CA C 53.591 0.003 1 49 7 7 ASP CB C 42.152 0.018 1 50 7 7 ASP N N 127.797 0.029 1 51 8 8 ILE H H 7.880 0.002 1 52 8 8 ILE HA H 4.320 0.005 1 53 8 8 ILE HB H 1.590 0.005 1 54 8 8 ILE HG12 H 0.815 0.002 2 55 8 8 ILE HG13 H 1.484 0.004 2 56 8 8 ILE HG2 H 0.597 0.002 1 57 8 8 ILE HD1 H 0.815 0.004 1 58 8 8 ILE C C 176.337 0.003 1 59 8 8 ILE CA C 60.176 0.037 1 60 8 8 ILE CB C 39.542 0.019 1 61 8 8 ILE CG1 C 27.969 0.013 1 62 8 8 ILE CG2 C 18.063 0.003 1 63 8 8 ILE CD1 C 14.031 0.012 1 64 8 8 ILE N N 122.764 0.014 1 65 9 9 LYS H H 8.671 0.002 1 66 9 9 LYS HA H 4.322 0.006 1 67 9 9 LYS HB2 H 1.184 0.004 2 68 9 9 LYS HB3 H 1.000 0.005 2 69 9 9 LYS HG2 H 0.683 0.002 2 70 9 9 LYS HG3 H -0.217 0.003 2 71 9 9 LYS HD2 H 1.045 0.008 2 72 9 9 LYS HD3 H 1.245 0.006 2 73 9 9 LYS HE2 H 2.360 0.002 2 74 9 9 LYS HE3 H 2.510 0.001 2 75 9 9 LYS C C 174.759 0.002 1 76 9 9 LYS CA C 52.315 0.021 1 77 9 9 LYS CB C 32.902 0.038 1 78 9 9 LYS CG C 22.888 0.006 1 79 9 9 LYS CD C 27.123 0.020 1 80 9 9 LYS CE C 41.384 0.011 1 81 9 9 LYS N N 127.990 0.030 1 82 10 10 GLU H H 8.623 0.002 1 83 10 10 GLU HA H 5.135 0.004 1 84 10 10 GLU HB2 H 1.808 0.004 2 85 10 10 GLU HB3 H 1.905 0.002 2 86 10 10 GLU HG2 H 2.175 0.004 2 87 10 10 GLU HG3 H 1.901 0.004 2 88 10 10 GLU C C 176.215 0.005 1 89 10 10 GLU CA C 54.902 0.017 1 90 10 10 GLU CB C 32.037 0.043 1 91 10 10 GLU CG C 37.831 0.004 1 92 10 10 GLU N N 123.021 0.027 1 93 11 11 ILE H H 8.606 0.003 1 94 11 11 ILE HA H 4.335 0.006 1 95 11 11 ILE HB H 1.453 0.005 1 96 11 11 ILE HG12 H 1.214 0.011 2 97 11 11 ILE HG13 H 1.159 0.008 2 98 11 11 ILE HG2 H 1.049 0.004 1 99 11 11 ILE HD1 H 0.807 0.003 1 100 11 11 ILE C C 174.334 0.009 1 101 11 11 ILE CA C 60.310 0.025 1 102 11 11 ILE CB C 39.826 0.020 1 103 11 11 ILE CG1 C 26.999 0.025 1 104 11 11 ILE CG2 C 17.405 0.005 1 105 11 11 ILE CD1 C 13.108 0.019 1 106 11 11 ILE N N 126.526 0.045 1 107 12 12 LYS H H 8.862 0.001 1 108 12 12 LYS HA H 5.345 0.006 1 109 12 12 LYS HB2 H 1.943 0.008 2 110 12 12 LYS HB3 H 1.888 0.004 2 111 12 12 LYS HG2 H 1.573 0.005 2 112 12 12 LYS HG3 H 1.441 0.004 2 113 12 12 LYS HD2 H 1.730 0.001 1 114 12 12 LYS HD3 H 1.730 0.001 1 115 12 12 LYS HE2 H 2.902 0.004 1 116 12 12 LYS HE3 H 2.902 0.004 1 117 12 12 LYS C C 176.378 0.003 1 118 12 12 LYS CA C 55.940 0.002 1 119 12 12 LYS CB C 34.056 0.022 1 120 12 12 LYS CG C 26.137 0.061 1 121 12 12 LYS CD C 29.516 0.035 1 122 12 12 LYS CE C 41.664 0.011 1 123 12 12 LYS N N 128.164 0.023 1 124 13 13 LEU H H 9.151 0.003 1 125 13 13 LEU HA H 4.954 0.003 1 126 13 13 LEU HB2 H 1.676 0.006 2 127 13 13 LEU HB3 H 1.731 0.008 2 128 13 13 LEU HG H 1.798 0.007 1 129 13 13 LEU HD1 H 0.987 0.005 2 130 13 13 LEU HD2 H 0.921 0.006 2 131 13 13 LEU C C 175.137 0.007 1 132 13 13 LEU CA C 53.974 0.001 1 133 13 13 LEU CB C 46.284 0.024 1 134 13 13 LEU CG C 27.209 0.038 1 135 13 13 LEU CD1 C 25.503 0.015 2 136 13 13 LEU CD2 C 27.800 0.041 2 137 13 13 LEU N N 121.881 0.020 1 138 14 14 SER H H 7.550 0.002 1 139 14 14 SER HA H 4.889 0.002 1 140 14 14 SER HB2 H 3.844 0.003 2 141 14 14 SER HB3 H 4.065 0.004 2 142 14 14 SER C C 173.993 0.006 1 143 14 14 SER CA C 56.052 0.012 1 144 14 14 SER CB C 64.775 0.044 1 145 14 14 SER N N 115.759 0.024 1 146 15 15 VAL H H 8.958 0.002 1 147 15 15 VAL HA H 3.734 0.004 1 148 15 15 VAL HB H 2.039 0.009 1 149 15 15 VAL HG1 H 0.844 0.005 2 150 15 15 VAL HG2 H 0.838 0.003 2 151 15 15 VAL C C 176.964 0.002 1 152 15 15 VAL CA C 65.427 0.039 1 153 15 15 VAL CB C 31.785 0.074 1 154 15 15 VAL CG1 C 22.995 0.024 2 155 15 15 VAL CG2 C 21.696 0.037 2 156 15 15 VAL N N 120.993 0.039 1 157 16 16 LYS H H 8.091 0.002 1 158 16 16 LYS HA H 4.401 0.003 1 159 16 16 LYS HB2 H 2.009 0.007 2 160 16 16 LYS HB3 H 1.688 0.006 2 161 16 16 LYS HG2 H 1.350 0.006 2 162 16 16 LYS HG3 H 1.464 0.006 2 163 16 16 LYS HD2 H 1.673 0.010 1 164 16 16 LYS HD3 H 1.673 0.010 1 165 16 16 LYS HE2 H 2.994 0.010 1 166 16 16 LYS HE3 H 2.994 0.010 1 167 16 16 LYS C C 175.489 0.004 1 168 16 16 LYS CA C 55.155 0.044 1 169 16 16 LYS CB C 30.929 0.019 1 170 16 16 LYS CG C 24.799 0.005 1 171 16 16 LYS CD C 28.716 0.020 1 172 16 16 LYS CE C 42.280 0.020 1 173 16 16 LYS N N 118.897 0.043 1 174 17 17 ILE H H 7.350 0.001 1 175 17 17 ILE HA H 4.185 0.002 1 176 17 17 ILE HB H 2.161 0.005 1 177 17 17 ILE HG12 H 1.637 0.008 2 178 17 17 ILE HG13 H 1.785 0.004 2 179 17 17 ILE HG2 H 0.989 0.005 1 180 17 17 ILE HD1 H 0.958 0.008 1 181 17 17 ILE C C 173.426 0.007 1 182 17 17 ILE CA C 61.276 0.008 1 183 17 17 ILE CB C 39.080 0.035 1 184 17 17 ILE CG1 C 28.398 0.002 1 185 17 17 ILE CG2 C 16.289 0.010 1 186 17 17 ILE CD1 C 15.265 0.024 1 187 17 17 ILE N N 122.247 0.019 1 188 18 18 ALA H H 8.796 0.002 1 189 18 18 ALA HA H 4.479 0.002 1 190 18 18 ALA HB H 1.602 0.004 1 191 18 18 ALA C C 179.130 0.020 1 192 18 18 ALA CA C 51.437 0.005 1 193 18 18 ALA CB C 19.909 0.028 1 194 18 18 ALA N N 129.434 0.018 1 195 19 19 GLN HA H 3.797 0.003 1 196 19 19 GLN HB2 H 2.256 0.005 2 197 19 19 GLN HB3 H 2.013 0.005 2 198 19 19 GLN HG2 H 2.450 0.003 2 199 19 19 GLN HG3 H 2.315 0.004 2 200 19 19 GLN HE21 H 6.685 0.002 1 201 19 19 GLN HE22 H 7.573 0.002 1 202 19 19 GLN CA C 59.231 0.006 1 203 19 19 GLN CB C 28.175 0.014 1 204 19 19 GLN CG C 33.315 0.021 1 205 19 19 GLN NE2 N 113.178 0.027 1 206 20 20 ASN HA H 4.430 0.002 1 207 20 20 ASN HB2 H 2.764 0.002 1 208 20 20 ASN HB3 H 2.764 0.002 1 209 20 20 ASN HD21 H 6.937 0.001 1 210 20 20 ASN HD22 H 7.655 0.001 1 211 20 20 ASN C C 177.272 0.020 1 212 20 20 ASN CA C 56.184 0.003 1 213 20 20 ASN CB C 37.453 0.031 1 214 20 20 ASN ND2 N 113.057 0.189 1 215 21 21 ASP H H 7.173 0.003 1 216 21 21 ASP HA H 4.798 0.003 1 217 21 21 ASP HB2 H 2.880 0.008 2 218 21 21 ASP HB3 H 2.776 0.003 2 219 21 21 ASP C C 178.707 0.018 1 220 21 21 ASP CA C 56.886 0.011 1 221 21 21 ASP CB C 40.665 0.017 1 222 21 21 ASP N N 119.132 0.048 1 223 22 22 ILE H H 8.104 0.002 1 224 22 22 ILE HA H 3.418 0.003 1 225 22 22 ILE HB H 2.048 0.008 1 226 22 22 ILE HG12 H 0.691 0.003 2 227 22 22 ILE HG13 H 1.770 0.005 2 228 22 22 ILE HG2 H 0.758 0.003 1 229 22 22 ILE HD1 H 0.755 0.003 1 230 22 22 ILE C C 177.454 0.005 1 231 22 22 ILE CA C 66.726 0.010 1 232 22 22 ILE CB C 37.566 0.025 1 233 22 22 ILE CG1 C 30.099 0.017 1 234 22 22 ILE CG2 C 17.567 0.007 1 235 22 22 ILE CD1 C 13.299 0.017 1 236 22 22 ILE N N 122.030 0.018 1 237 23 23 ASN H H 8.110 0.001 1 238 23 23 ASN HA H 4.213 0.003 1 239 23 23 ASN HB2 H 2.765 0.005 2 240 23 23 ASN HB3 H 2.946 0.003 2 241 23 23 ASN HD21 H 6.906 0.002 1 242 23 23 ASN HD22 H 7.606 0.002 1 243 23 23 ASN C C 178.260 0.004 1 244 23 23 ASN CA C 56.274 0.006 1 245 23 23 ASN CB C 37.208 0.048 1 246 23 23 ASN N N 116.728 0.022 1 247 23 23 ASN ND2 N 110.490 0.087 1 248 24 24 TYR H H 7.648 0.002 1 249 24 24 TYR HA H 4.293 0.002 1 250 24 24 TYR HB2 H 3.268 0.003 2 251 24 24 TYR HB3 H 3.191 0.004 2 252 24 24 TYR HD1 H 7.178 0.001 3 253 24 24 TYR HD2 H 7.178 0.001 3 254 24 24 TYR HE1 H 6.838 0.002 3 255 24 24 TYR HE2 H 6.838 0.002 3 256 24 24 TYR C C 177.719 0.005 1 257 24 24 TYR CA C 61.048 0.022 1 258 24 24 TYR CB C 38.283 0.011 1 259 24 24 TYR CD1 C 133.221 0.026 3 260 24 24 TYR CD2 C 133.221 0.026 3 261 24 24 TYR CE1 C 118.146 0.013 3 262 24 24 TYR CE2 C 118.146 0.013 3 263 24 24 TYR N N 119.864 0.020 1 264 25 25 LYS H H 8.180 0.002 1 265 25 25 LYS HA H 4.111 0.005 1 266 25 25 LYS HB2 H 1.804 0.009 2 267 25 25 LYS HB3 H 2.181 0.008 2 268 25 25 LYS HG2 H 1.650 0.007 2 269 25 25 LYS HG3 H 1.859 0.004 2 270 25 25 LYS HD2 H 1.802 0.003 2 271 25 25 LYS HD3 H 1.587 0.006 2 272 25 25 LYS HE2 H 3.209 0.004 2 273 25 25 LYS HE3 H 3.138 0.004 2 274 25 25 LYS C C 179.152 0.002 1 275 25 25 LYS CA C 59.162 0.032 1 276 25 25 LYS CB C 32.294 0.032 1 277 25 25 LYS CG C 26.272 0.027 1 278 25 25 LYS CD C 29.057 0.051 1 279 25 25 LYS CE C 42.511 0.009 1 280 25 25 LYS N N 119.730 0.041 1 281 26 26 VAL H H 8.711 0.002 1 282 26 26 VAL HA H 3.620 0.002 1 283 26 26 VAL HB H 2.184 0.004 1 284 26 26 VAL HG1 H 1.118 0.004 2 285 26 26 VAL HG2 H 0.909 0.006 2 286 26 26 VAL C C 177.017 0.005 1 287 26 26 VAL CA C 67.661 0.010 1 288 26 26 VAL CB C 31.550 0.035 1 289 26 26 VAL CG1 C 25.443 0.010 2 290 26 26 VAL CG2 C 21.612 0.038 2 291 26 26 VAL N N 119.387 0.029 1 292 27 27 LYS H H 7.825 0.002 1 293 27 27 LYS HA H 3.946 0.004 1 294 27 27 LYS HB2 H 1.912 0.003 1 295 27 27 LYS HB3 H 1.912 0.003 1 296 27 27 LYS HG2 H 1.316 0.002 2 297 27 27 LYS HG3 H 1.496 0.002 2 298 27 27 LYS HD2 H 1.647 0.005 2 299 27 27 LYS HD3 H 1.595 0.009 2 300 27 27 LYS HE2 H 2.939 0.010 1 301 27 27 LYS HE3 H 2.929 0.010 1 302 27 27 LYS C C 179.458 0.004 1 303 27 27 LYS CA C 59.878 0.040 1 304 27 27 LYS CB C 31.848 0.022 1 305 27 27 LYS CG C 24.885 0.010 1 306 27 27 LYS CD C 29.154 0.053 1 307 27 27 LYS CE C 41.836 0.020 1 308 27 27 LYS N N 120.420 0.040 1 309 28 28 HIS H H 7.868 0.003 1 310 28 28 HIS HA H 4.187 0.003 1 311 28 28 HIS HB2 H 2.897 0.003 2 312 28 28 HIS HB3 H 3.067 0.006 2 313 28 28 HIS HD2 H 6.735 0.002 1 314 28 28 HIS C C 177.085 0.007 1 315 28 28 HIS CA C 57.885 0.040 1 316 28 28 HIS CB C 29.756 0.046 1 317 28 28 HIS CD2 C 119.625 0.022 1 318 28 28 HIS N N 118.160 0.020 1 319 29 29 ALA H H 8.340 0.002 1 320 29 29 ALA HA H 3.998 0.002 1 321 29 29 ALA HB H 1.668 0.005 1 322 29 29 ALA C C 179.299 0.007 1 323 29 29 ALA CA C 55.567 0.011 1 324 29 29 ALA CB C 19.449 0.015 1 325 29 29 ALA N N 120.579 0.038 1 326 30 30 LEU H H 8.693 0.002 1 327 30 30 LEU HA H 4.075 0.004 1 328 30 30 LEU HB2 H 1.532 0.006 2 329 30 30 LEU HB3 H 2.006 0.006 2 330 30 30 LEU HG H 1.873 0.004 1 331 30 30 LEU HD1 H 0.892 0.005 2 332 30 30 LEU HD2 H 0.897 0.003 2 333 30 30 LEU C C 180.017 0.020 1 334 30 30 LEU CA C 58.232 0.020 1 335 30 30 LEU CB C 41.326 0.028 1 336 30 30 LEU CG C 27.165 0.003 1 337 30 30 LEU CD1 C 25.889 0.053 2 338 30 30 LEU CD2 C 22.780 0.021 2 339 30 30 LEU N N 117.262 0.017 1 340 31 31 GLU H H 7.739 0.002 1 341 31 31 GLU HA H 4.068 0.002 1 342 31 31 GLU HB2 H 1.839 0.003 2 343 31 31 GLU HB3 H 2.076 0.009 2 344 31 31 GLU HG2 H 2.115 0.002 2 345 31 31 GLU HG3 H 2.442 0.006 2 346 31 31 GLU C C 179.572 0.008 1 347 31 31 GLU CA C 59.275 0.012 1 348 31 31 GLU CB C 28.975 0.018 1 349 31 31 GLU CG C 36.391 0.006 1 350 31 31 GLU N N 120.625 0.016 1 351 32 32 PHE H H 7.724 0.001 1 352 32 32 PHE HA H 4.526 0.005 1 353 32 32 PHE HB2 H 3.187 0.007 2 354 32 32 PHE HB3 H 2.780 0.004 2 355 32 32 PHE HD1 H 7.023 0.003 3 356 32 32 PHE HD2 H 7.023 0.003 3 357 32 32 PHE HE1 H 7.181 0.001 3 358 32 32 PHE HE2 H 7.181 0.001 3 359 32 32 PHE C C 179.123 0.002 1 360 32 32 PHE CA C 58.697 0.028 1 361 32 32 PHE CB C 37.252 0.018 1 362 32 32 PHE CD1 C 130.246 0.034 3 363 32 32 PHE CD2 C 130.246 0.034 3 364 32 32 PHE CE1 C 131.453 0.020 3 365 32 32 PHE CE2 C 131.453 0.020 3 366 32 32 PHE N N 118.245 0.021 1 367 33 33 LEU H H 8.734 0.002 1 368 33 33 LEU HA H 4.591 0.003 1 369 33 33 LEU HB2 H 1.571 0.004 2 370 33 33 LEU HB3 H 2.100 0.014 2 371 33 33 LEU HD1 H 0.947 0.004 2 372 33 33 LEU HD2 H 0.896 0.004 2 373 33 33 LEU C C 181.655 0.007 1 374 33 33 LEU CA C 58.172 0.019 1 375 33 33 LEU CB C 41.692 0.054 1 376 33 33 LEU CD1 C 22.722 0.043 2 377 33 33 LEU CD2 C 26.009 0.031 2 378 33 33 LEU N N 121.684 0.020 1 379 34 34 GLU H H 8.364 0.003 1 380 34 34 GLU HA H 4.152 0.002 1 381 34 34 GLU HB2 H 2.266 0.004 2 382 34 34 GLU HB3 H 2.313 0.006 2 383 34 34 GLU HG2 H 2.424 0.003 2 384 34 34 GLU HG3 H 2.458 0.005 2 385 34 34 GLU C C 178.237 0.003 1 386 34 34 GLU CA C 59.146 0.009 1 387 34 34 GLU CB C 29.234 0.005 1 388 34 34 GLU CG C 36.377 0.010 1 389 34 34 GLU N N 122.046 0.032 1 390 35 35 GLN H H 7.490 0.002 1 391 35 35 GLN HA H 4.387 0.002 1 392 35 35 GLN HB2 H 2.383 0.006 2 393 35 35 GLN HB3 H 2.434 0.007 2 394 35 35 GLN HG2 H 2.768 0.002 2 395 35 35 GLN HG3 H 2.539 0.003 2 396 35 35 GLN HE21 H 6.817 0.002 1 397 35 35 GLN HE22 H 7.380 0.001 1 398 35 35 GLN C C 176.456 0.002 1 399 35 35 GLN CA C 55.686 0.025 1 400 35 35 GLN CB C 29.196 0.008 1 401 35 35 GLN CG C 33.747 0.012 1 402 35 35 GLN N N 115.697 0.025 1 403 35 35 GLN NE2 N 110.762 0.046 1 404 36 36 GLY H H 8.277 0.002 1 405 36 36 GLY HA2 H 4.289 0.003 2 406 36 36 GLY HA3 H 3.729 0.003 2 407 36 36 GLY C C 174.673 0.020 1 408 36 36 GLY CA C 45.527 0.012 1 409 36 36 GLY N N 108.291 0.029 1 410 37 37 LYS H H 8.003 0.002 1 411 37 37 LYS HA H 4.497 0.005 1 412 37 37 LYS HB2 H 1.440 0.007 2 413 37 37 LYS HB3 H 1.834 0.007 2 414 37 37 LYS HG2 H 1.461 0.007 2 415 37 37 LYS HG3 H 1.325 0.006 2 416 37 37 LYS HD2 H 1.479 0.009 1 417 37 37 LYS HD3 H 1.479 0.009 1 418 37 37 LYS HE2 H 2.992 0.005 1 419 37 37 LYS HE3 H 2.992 0.005 1 420 37 37 LYS C C 174.580 0.003 1 421 37 37 LYS CA C 55.089 0.046 1 422 37 37 LYS CB C 32.745 0.010 1 423 37 37 LYS CG C 26.041 0.015 1 424 37 37 LYS CD C 29.100 0.012 1 425 37 37 LYS CE C 41.829 0.020 1 426 37 37 LYS N N 120.464 0.038 1 427 38 38 HIS H H 7.993 0.002 1 428 38 38 HIS HA H 5.019 0.002 1 429 38 38 HIS HB2 H 2.940 0.009 1 430 38 38 HIS HB3 H 2.940 0.010 1 431 38 38 HIS HD2 H 6.739 0.002 1 432 38 38 HIS HE1 H 7.681 0.007 1 433 38 38 HIS C C 175.268 0.005 1 434 38 38 HIS CA C 54.150 0.010 1 435 38 38 HIS CB C 32.877 0.031 1 436 38 38 HIS CD2 C 117.237 0.030 1 437 38 38 HIS CE1 C 138.591 0.020 1 438 38 38 HIS N N 116.878 0.020 1 439 39 39 VAL H H 8.483 0.003 1 440 39 39 VAL HA H 4.796 0.005 1 441 39 39 VAL HB H 1.647 0.010 1 442 39 39 VAL HG1 H 0.899 0.006 2 443 39 39 VAL HG2 H 0.165 0.002 2 444 39 39 VAL C C 173.320 0.006 1 445 39 39 VAL CA C 60.766 0.017 1 446 39 39 VAL CB C 35.433 0.018 1 447 39 39 VAL CG1 C 22.766 0.022 2 448 39 39 VAL CG2 C 20.877 0.005 2 449 39 39 VAL N N 119.782 0.027 1 450 40 40 ARG H H 8.970 0.002 1 451 40 40 ARG HA H 5.115 0.007 1 452 40 40 ARG HB2 H 1.393 0.010 2 453 40 40 ARG HB3 H 1.732 0.006 2 454 40 40 ARG HG2 H 1.383 0.005 2 455 40 40 ARG HG3 H 1.242 0.007 2 456 40 40 ARG HD2 H 3.015 0.006 2 457 40 40 ARG HD3 H 3.080 0.005 2 458 40 40 ARG C C 175.659 0.012 1 459 40 40 ARG CA C 53.822 0.020 1 460 40 40 ARG CB C 33.007 0.029 1 461 40 40 ARG CG C 28.135 0.042 1 462 40 40 ARG CD C 43.543 0.036 1 463 40 40 ARG N N 128.358 0.026 1 464 41 41 PHE H H 9.193 0.003 1 465 41 41 PHE HA H 5.178 0.004 1 466 41 41 PHE HB2 H 3.050 0.011 2 467 41 41 PHE HB3 H 2.881 0.009 2 468 41 41 PHE HD1 H 7.193 0.007 3 469 41 41 PHE HD2 H 7.193 0.007 3 470 41 41 PHE HE1 H 7.075 0.003 3 471 41 41 PHE HE2 H 7.075 0.003 3 472 41 41 PHE HZ H 6.903 0.007 1 473 41 41 PHE C C 176.107 0.006 1 474 41 41 PHE CA C 57.696 0.012 1 475 41 41 PHE CB C 42.046 0.045 1 476 41 41 PHE CD1 C 132.068 0.043 3 477 41 41 PHE CD2 C 132.068 0.043 3 478 41 41 PHE CE1 C 130.471 0.080 3 479 41 41 PHE CE2 C 130.471 0.080 3 480 41 41 PHE CZ C 129.154 0.024 1 481 41 41 PHE N N 126.396 0.027 1 482 42 42 ARG H H 8.933 0.003 1 483 42 42 ARG HA H 5.539 0.002 1 484 42 42 ARG HB2 H 1.607 0.009 2 485 42 42 ARG HB3 H 1.841 0.008 2 486 42 42 ARG HG2 H 1.536 0.011 1 487 42 42 ARG HG3 H 1.536 0.011 1 488 42 42 ARG HD2 H 2.440 0.004 2 489 42 42 ARG HD3 H 2.818 0.002 2 490 42 42 ARG HE H 6.851 0.002 1 491 42 42 ARG C C 175.010 0.002 1 492 42 42 ARG CA C 54.695 0.023 1 493 42 42 ARG CB C 34.374 0.032 1 494 42 42 ARG CG C 26.470 0.020 1 495 42 42 ARG CD C 43.853 0.025 1 496 42 42 ARG N N 120.641 0.040 1 497 42 42 ARG NE N 83.368 0.022 1 498 43 43 VAL H H 9.881 0.002 1 499 43 43 VAL HA H 4.665 0.005 1 500 43 43 VAL HB H 2.126 0.005 1 501 43 43 VAL HG1 H 1.017 0.004 2 502 43 43 VAL HG2 H 0.827 0.006 2 503 43 43 VAL C C 175.325 0.032 1 504 43 43 VAL CA C 60.816 0.015 1 505 43 43 VAL CB C 32.983 0.035 1 506 43 43 VAL CG1 C 21.667 0.019 2 507 43 43 VAL CG2 C 22.189 0.040 2 508 43 43 VAL N N 125.565 0.026 1 509 44 44 PHE H H 8.467 0.003 1 510 44 44 PHE HA H 4.618 0.003 1 511 44 44 PHE HB2 H 3.071 0.007 2 512 44 44 PHE HB3 H 3.006 0.008 2 513 44 44 PHE HD1 H 6.824 0.003 3 514 44 44 PHE HD2 H 6.824 0.003 3 515 44 44 PHE HE1 H 7.157 0.001 3 516 44 44 PHE HE2 H 7.157 0.001 3 517 44 44 PHE HZ H 7.270 0.005 1 518 44 44 PHE C C 174.477 0.004 1 519 44 44 PHE CA C 56.148 0.006 1 520 44 44 PHE CB C 39.941 0.060 1 521 44 44 PHE CD1 C 131.501 0.054 3 522 44 44 PHE CD2 C 131.501 0.054 3 523 44 44 PHE CE1 C 131.285 0.037 3 524 44 44 PHE CE2 C 131.285 0.037 3 525 44 44 PHE CZ C 129.733 0.020 1 526 44 44 PHE N N 128.291 0.042 1 527 45 45 LEU H H 8.267 0.002 1 528 45 45 LEU HA H 4.391 0.003 1 529 45 45 LEU HB2 H 1.691 0.007 2 530 45 45 LEU HB3 H 0.698 0.008 2 531 45 45 LEU HG H 1.597 0.002 1 532 45 45 LEU HD1 H 0.710 0.004 2 533 45 45 LEU HD2 H 0.571 0.002 2 534 45 45 LEU C C 174.342 0.020 1 535 45 45 LEU CA C 53.586 0.013 1 536 45 45 LEU CB C 41.113 0.016 1 537 45 45 LEU CG C 26.572 0.020 1 538 45 45 LEU CD1 C 26.841 0.026 2 539 45 45 LEU CD2 C 22.517 0.002 2 540 45 45 LEU N N 128.360 0.022 1 541 46 46 LYS HA H 4.092 0.003 1 542 46 46 LYS HB2 H 1.753 0.006 2 543 46 46 LYS HB3 H 1.539 0.003 2 544 46 46 LYS HG2 H 1.422 0.003 2 545 46 46 LYS HG3 H 1.306 0.006 2 546 46 46 LYS HD2 H 1.732 0.004 1 547 46 46 LYS HD3 H 1.732 0.004 1 548 46 46 LYS HE2 H 3.026 0.010 1 549 46 46 LYS HE3 H 3.026 0.010 1 550 46 46 LYS CA C 55.079 0.032 1 551 46 46 LYS CB C 34.295 0.029 1 552 46 46 LYS CG C 24.825 0.020 1 553 46 46 LYS CD C 29.272 0.020 1 554 46 46 LYS CE C 41.841 0.020 1 555 47 47 GLY HA2 H 3.937 0.010 2 556 47 47 GLY HA3 H 3.748 0.003 2 557 47 47 GLY CA C 46.813 0.020 1 558 48 48 ARG HA H 4.200 0.002 1 559 48 48 ARG HB2 H 1.884 0.002 2 560 48 48 ARG HB3 H 1.950 0.003 2 561 48 48 ARG HG2 H 1.720 0.002 1 562 48 48 ARG HG3 H 1.720 0.002 1 563 48 48 ARG HD2 H 3.218 0.001 1 564 48 48 ARG HD3 H 3.218 0.001 1 565 48 48 ARG C C 178.069 0.020 1 566 48 48 ARG CA C 57.862 0.016 1 567 48 48 ARG CB C 29.444 0.008 1 568 48 48 ARG CG C 27.116 0.005 1 569 48 48 ARG CD C 43.051 0.008 1 570 49 49 GLU H H 8.182 0.002 1 571 49 49 GLU HA H 4.053 0.002 1 572 49 49 GLU HB2 H 1.856 0.006 2 573 49 49 GLU HB3 H 2.007 0.007 2 574 49 49 GLU HG2 H 2.344 0.005 2 575 49 49 GLU HG3 H 2.175 0.004 2 576 49 49 GLU C C 178.227 0.018 1 577 49 49 GLU CA C 57.436 0.037 1 578 49 49 GLU CB C 29.745 0.092 1 579 49 49 GLU CG C 36.007 0.052 1 580 49 49 GLU N N 119.779 0.045 1 581 50 50 MET H H 7.595 0.002 1 582 50 50 MET HA H 4.024 0.007 1 583 50 50 MET HB2 H 2.576 0.003 2 584 50 50 MET HB3 H 2.030 0.005 2 585 50 50 MET HG2 H 2.579 0.002 2 586 50 50 MET HG3 H 2.371 0.006 2 587 50 50 MET HE H 2.116 0.005 1 588 50 50 MET C C 175.912 0.013 1 589 50 50 MET CA C 56.664 0.042 1 590 50 50 MET CB C 32.033 0.018 1 591 50 50 MET CG C 32.404 0.047 1 592 50 50 MET CE C 16.614 0.004 1 593 50 50 MET N N 116.370 0.017 1 594 51 51 ALA H H 7.539 0.002 1 595 51 51 ALA HA H 4.344 0.003 1 596 51 51 ALA HB H 1.498 0.004 1 597 51 51 ALA C C 177.746 0.007 1 598 51 51 ALA CA C 52.391 0.005 1 599 51 51 ALA CB C 19.443 0.004 1 600 51 51 ALA N N 118.880 0.055 1 601 52 52 THR H H 7.513 0.002 1 602 52 52 THR HA H 4.869 0.002 1 603 52 52 THR HB H 4.336 0.002 1 604 52 52 THR HG2 H 1.126 0.002 1 605 52 52 THR C C 173.933 0.020 1 606 52 52 THR CA C 57.554 0.003 1 607 52 52 THR CB C 69.479 0.014 1 608 52 52 THR CG2 C 20.624 0.006 1 609 52 52 THR N N 108.299 0.015 1 610 53 53 PRO HA H 3.931 0.005 1 611 53 53 PRO HB2 H 1.006 0.009 2 612 53 53 PRO HB3 H 1.368 0.005 2 613 53 53 PRO HG2 H 1.643 0.004 2 614 53 53 PRO HG3 H 1.474 0.005 2 615 53 53 PRO HD2 H 3.548 0.003 2 616 53 53 PRO HD3 H 3.232 0.005 2 617 53 53 PRO C C 178.185 0.020 1 618 53 53 PRO CA C 65.019 0.027 1 619 53 53 PRO CB C 30.516 0.047 1 620 53 53 PRO CG C 27.262 0.026 1 621 53 53 PRO CD C 50.182 0.020 1 622 54 54 GLU H H 10.000 0.002 1 623 54 54 GLU HA H 4.016 0.004 1 624 54 54 GLU HB2 H 2.073 0.006 2 625 54 54 GLU HB3 H 2.004 0.005 2 626 54 54 GLU HG2 H 2.342 0.012 1 627 54 54 GLU HG3 H 2.342 0.012 1 628 54 54 GLU C C 178.608 0.011 1 629 54 54 GLU CA C 59.472 0.016 1 630 54 54 GLU CB C 27.419 0.041 1 631 54 54 GLU CG C 35.517 0.059 1 632 54 54 GLU N N 120.653 0.027 1 633 55 55 ALA H H 8.018 0.002 1 634 55 55 ALA HA H 4.323 0.005 1 635 55 55 ALA HB H 1.489 0.004 1 636 55 55 ALA C C 181.502 0.012 1 637 55 55 ALA CA C 54.780 0.013 1 638 55 55 ALA CB C 18.401 0.009 1 639 55 55 ALA N N 124.380 0.019 1 640 56 56 GLY H H 7.919 0.002 1 641 56 56 GLY HA2 H 3.930 0.006 2 642 56 56 GLY HA3 H 3.403 0.004 2 643 56 56 GLY C C 174.278 0.024 1 644 56 56 GLY CA C 46.879 0.027 1 645 56 56 GLY N N 105.673 0.022 1 646 57 57 VAL H H 7.846 0.004 1 647 57 57 VAL HA H 3.322 0.003 1 648 57 57 VAL HB H 2.140 0.011 1 649 57 57 VAL HG1 H 0.948 0.004 2 650 57 57 VAL HG2 H 0.942 0.002 2 651 57 57 VAL C C 177.134 0.004 1 652 57 57 VAL CA C 67.396 0.009 1 653 57 57 VAL CB C 31.769 0.036 1 654 57 57 VAL CG1 C 22.763 0.037 2 655 57 57 VAL CG2 C 21.450 0.021 2 656 57 57 VAL N N 122.685 0.020 1 657 58 58 ALA H H 8.145 0.002 1 658 58 58 ALA HA H 4.094 0.005 1 659 58 58 ALA HB H 1.457 0.003 1 660 58 58 ALA C C 180.788 0.014 1 661 58 58 ALA CA C 55.053 0.036 1 662 58 58 ALA CB C 17.854 0.019 1 663 58 58 ALA N N 119.580 0.019 1 664 59 59 LEU H H 7.176 0.001 1 665 59 59 LEU HA H 4.258 0.003 1 666 59 59 LEU HB2 H 1.763 0.004 2 667 59 59 LEU HB3 H 1.963 0.004 2 668 59 59 LEU HG H 1.432 0.007 1 669 59 59 LEU HD1 H 1.030 0.004 2 670 59 59 LEU HD2 H 0.988 0.007 2 671 59 59 LEU C C 178.024 0.001 1 672 59 59 LEU CA C 57.710 0.026 1 673 59 59 LEU CB C 41.701 0.032 1 674 59 59 LEU CG C 27.793 0.046 1 675 59 59 LEU CD1 C 27.978 0.024 2 676 59 59 LEU CD2 C 22.722 0.026 2 677 59 59 LEU N N 119.723 0.035 1 678 60 60 LEU H H 7.639 0.002 1 679 60 60 LEU HA H 3.857 0.007 1 680 60 60 LEU HB2 H 1.893 0.005 2 681 60 60 LEU HB3 H 1.592 0.006 2 682 60 60 LEU HG H 1.779 0.004 1 683 60 60 LEU HD1 H 0.789 0.003 2 684 60 60 LEU HD2 H 0.682 0.004 2 685 60 60 LEU C C 178.851 0.002 1 686 60 60 LEU CA C 57.644 0.015 1 687 60 60 LEU CB C 40.288 0.041 1 688 60 60 LEU CG C 26.395 0.020 1 689 60 60 LEU CD1 C 26.665 0.032 2 690 60 60 LEU CD2 C 23.856 0.018 2 691 60 60 LEU N N 117.978 0.038 1 692 61 61 GLU H H 8.738 0.002 1 693 61 61 GLU HA H 4.491 0.004 1 694 61 61 GLU HB2 H 2.097 0.021 2 695 61 61 GLU HB3 H 2.107 0.009 2 696 61 61 GLU HG2 H 2.353 0.004 1 697 61 61 GLU HG3 H 2.353 0.004 1 698 61 61 GLU C C 179.519 0.006 1 699 61 61 GLU CA C 58.742 0.031 1 700 61 61 GLU CB C 28.813 0.012 1 701 61 61 GLU CG C 35.512 0.067 1 702 61 61 GLU N N 119.906 0.047 1 703 62 62 LYS H H 7.825 0.002 1 704 62 62 LYS HA H 4.128 0.003 1 705 62 62 LYS HB2 H 2.160 0.010 2 706 62 62 LYS HB3 H 2.019 0.009 2 707 62 62 LYS HG2 H 1.552 0.004 2 708 62 62 LYS HG3 H 1.344 0.010 2 709 62 62 LYS HD2 H 1.697 0.008 1 710 62 62 LYS HD3 H 1.697 0.008 1 711 62 62 LYS HE2 H 2.946 0.007 1 712 62 62 LYS HE3 H 2.946 0.007 1 713 62 62 LYS C C 179.843 0.007 1 714 62 62 LYS CA C 59.337 0.031 1 715 62 62 LYS CB C 31.647 0.051 1 716 62 62 LYS CG C 24.757 0.005 1 717 62 62 LYS CD C 29.351 0.020 1 718 62 62 LYS CE C 41.768 0.020 1 719 62 62 LYS N N 122.015 0.029 1 720 63 63 ILE H H 7.987 0.002 1 721 63 63 ILE HA H 3.496 0.004 1 722 63 63 ILE HB H 1.628 0.006 1 723 63 63 ILE HG12 H 0.825 0.007 2 724 63 63 ILE HG13 H 1.548 0.003 2 725 63 63 ILE HG2 H 0.053 0.002 1 726 63 63 ILE HD1 H 0.502 0.002 1 727 63 63 ILE C C 177.761 0.023 1 728 63 63 ILE CA C 65.182 0.015 1 729 63 63 ILE CB C 37.386 0.031 1 730 63 63 ILE CG1 C 29.699 0.044 1 731 63 63 ILE CG2 C 16.167 0.004 1 732 63 63 ILE CD1 C 13.874 0.002 1 733 63 63 ILE N N 120.882 0.022 1 734 64 64 TRP H H 8.805 0.002 1 735 64 64 TRP HA H 4.484 0.003 1 736 64 64 TRP HB2 H 3.518 0.004 2 737 64 64 TRP HB3 H 3.053 0.002 2 738 64 64 TRP HD1 H 7.286 0.002 1 739 64 64 TRP HE1 H 9.980 0.002 1 740 64 64 TRP HE3 H 7.168 0.006 1 741 64 64 TRP HZ2 H 7.596 0.003 1 742 64 64 TRP HZ3 H 6.638 0.005 1 743 64 64 TRP HH2 H 7.167 0.003 1 744 64 64 TRP C C 177.056 0.002 1 745 64 64 TRP CA C 59.094 0.056 1 746 64 64 TRP CB C 29.635 0.034 1 747 64 64 TRP CD1 C 127.727 0.018 1 748 64 64 TRP CE3 C 120.283 0.020 1 749 64 64 TRP CZ2 C 115.082 0.020 1 750 64 64 TRP CZ3 C 120.346 0.028 1 751 64 64 TRP CH2 C 125.279 0.030 1 752 64 64 TRP N N 120.279 0.034 1 753 64 64 TRP NE1 N 129.072 0.044 1 754 65 65 THR H H 7.849 0.002 1 755 65 65 THR HA H 3.744 0.003 1 756 65 65 THR HB H 4.197 0.002 1 757 65 65 THR HG2 H 1.365 0.002 1 758 65 65 THR C C 176.224 0.008 1 759 65 65 THR CA C 65.568 0.029 1 760 65 65 THR CB C 69.308 0.012 1 761 65 65 THR CG2 C 21.967 0.009 1 762 65 65 THR N N 109.483 0.023 1 763 66 66 MET H H 7.458 0.002 1 764 66 66 MET HA H 4.110 0.004 1 765 66 66 MET HB2 H 2.218 0.005 2 766 66 66 MET HB3 H 2.382 0.020 2 767 66 66 MET HG2 H 2.490 0.004 2 768 66 66 MET HG3 H 2.849 0.004 2 769 66 66 MET HE H 2.075 0.003 1 770 66 66 MET C C 177.782 0.001 1 771 66 66 MET CA C 58.304 0.032 1 772 66 66 MET CB C 34.040 0.038 1 773 66 66 MET CG C 32.254 0.017 1 774 66 66 MET CE C 16.812 0.004 1 775 66 66 MET N N 117.791 0.031 1 776 67 67 ILE H H 7.327 0.002 1 777 67 67 ILE HA H 4.642 0.005 1 778 67 67 ILE HB H 2.057 0.008 1 779 67 67 ILE HG12 H 0.957 0.004 2 780 67 67 ILE HG13 H 1.537 0.006 2 781 67 67 ILE HG2 H 0.833 0.004 1 782 67 67 ILE HD1 H 0.956 0.008 1 783 67 67 ILE C C 176.713 0.009 1 784 67 67 ILE CA C 61.174 0.034 1 785 67 67 ILE CB C 39.813 0.026 1 786 67 67 ILE CG1 C 25.399 0.027 1 787 67 67 ILE CG2 C 18.005 0.019 1 788 67 67 ILE CD1 C 15.256 0.023 1 789 67 67 ILE N N 109.871 0.032 1 790 68 68 GLU H H 7.081 0.002 1 791 68 68 GLU HA H 2.748 0.003 1 792 68 68 GLU HB2 H 0.689 0.006 2 793 68 68 GLU HB3 H 1.288 0.003 2 794 68 68 GLU HG2 H 1.917 0.004 2 795 68 68 GLU HG3 H 1.740 0.005 2 796 68 68 GLU C C 175.855 0.001 1 797 68 68 GLU CA C 58.291 0.011 1 798 68 68 GLU CB C 28.492 0.018 1 799 68 68 GLU CG C 34.380 0.023 1 800 68 68 GLU N N 121.972 0.042 1 801 69 69 ASN H H 8.131 0.002 1 802 69 69 ASN HA H 4.580 0.007 1 803 69 69 ASN HB2 H 2.708 0.004 2 804 69 69 ASN HB3 H 2.680 0.009 2 805 69 69 ASN HD21 H 7.630 0.001 1 806 69 69 ASN HD22 H 6.953 0.003 1 807 69 69 ASN C C 175.904 0.008 1 808 69 69 ASN CA C 54.597 0.007 1 809 69 69 ASN CB C 38.323 0.004 1 810 69 69 ASN N N 114.338 0.014 1 811 69 69 ASN ND2 N 114.450 0.054 1 812 70 70 GLU H H 8.086 0.002 1 813 70 70 GLU HA H 4.548 0.006 1 814 70 70 GLU HB2 H 1.687 0.003 2 815 70 70 GLU HB3 H 2.292 0.005 2 816 70 70 GLU HG2 H 2.172 0.002 1 817 70 70 GLU HG3 H 2.172 0.002 1 818 70 70 GLU C C 174.941 0.012 1 819 70 70 GLU CA C 55.983 0.066 1 820 70 70 GLU CB C 31.348 0.027 1 821 70 70 GLU CG C 35.970 0.031 1 822 70 70 GLU N N 116.936 0.027 1 823 71 71 ALA H H 7.532 0.003 1 824 71 71 ALA HA H 5.246 0.004 1 825 71 71 ALA HB H 1.445 0.004 1 826 71 71 ALA C C 173.907 0.006 1 827 71 71 ALA CA C 50.818 0.006 1 828 71 71 ALA CB C 24.060 0.012 1 829 71 71 ALA N N 122.966 0.030 1 830 72 72 ASN H H 9.159 0.002 1 831 72 72 ASN HA H 5.441 0.007 1 832 72 72 ASN HB2 H 2.523 0.003 2 833 72 72 ASN HB3 H 2.667 0.007 2 834 72 72 ASN HD21 H 7.066 0.003 1 835 72 72 ASN HD22 H 7.313 0.001 1 836 72 72 ASN C C 174.137 0.022 1 837 72 72 ASN CA C 51.659 0.023 1 838 72 72 ASN CB C 42.186 0.024 1 839 72 72 ASN N N 115.820 0.025 1 840 72 72 ASN ND2 N 114.455 0.098 1 841 73 73 ARG H H 8.529 0.002 1 842 73 73 ARG HA H 4.778 0.003 1 843 73 73 ARG HB2 H 1.138 0.008 2 844 73 73 ARG HB3 H 1.033 0.009 2 845 73 73 ARG HG2 H 0.866 0.006 2 846 73 73 ARG HG3 H 0.761 0.005 2 847 73 73 ARG HD2 H 2.240 0.006 2 848 73 73 ARG HD3 H 1.299 0.007 2 849 73 73 ARG HE H 6.509 0.002 1 850 73 73 ARG C C 174.674 0.004 1 851 73 73 ARG CA C 54.869 0.012 1 852 73 73 ARG CB C 32.125 0.024 1 853 73 73 ARG CG C 24.913 0.033 1 854 73 73 ARG CD C 43.841 0.013 1 855 73 73 ARG N N 118.340 0.021 1 856 73 73 ARG NE N 84.769 0.062 1 857 74 74 ASP H H 8.665 0.002 1 858 74 74 ASP HA H 4.542 0.002 1 859 74 74 ASP HB2 H 2.593 0.003 2 860 74 74 ASP HB3 H 2.527 0.005 2 861 74 74 ASP C C 175.935 0.004 1 862 74 74 ASP CA C 55.397 0.012 1 863 74 74 ASP CB C 42.220 0.014 1 864 74 74 ASP N N 124.007 0.024 1 865 75 75 LYS H H 7.616 0.001 1 866 75 75 LYS HA H 4.445 0.002 1 867 75 75 LYS HB2 H 1.897 0.003 2 868 75 75 LYS HB3 H 1.671 0.002 2 869 75 75 LYS HG2 H 1.414 0.005 1 870 75 75 LYS HG3 H 1.414 0.005 1 871 75 75 LYS HD2 H 1.668 0.001 1 872 75 75 LYS HD3 H 1.667 0.010 1 873 75 75 LYS HE2 H 2.954 0.001 1 874 75 75 LYS HE3 H 2.954 0.001 1 875 75 75 LYS C C 175.135 0.004 1 876 75 75 LYS CA C 54.785 0.012 1 877 75 75 LYS CB C 35.475 0.014 1 878 75 75 LYS CG C 24.127 0.025 1 879 75 75 LYS CD C 28.836 0.020 1 880 75 75 LYS CE C 41.818 0.020 1 881 75 75 LYS N N 116.482 0.032 1 882 76 76 GLU H H 8.430 0.001 1 883 76 76 GLU HA H 3.908 0.003 1 884 76 76 GLU HB2 H 1.863 0.005 2 885 76 76 GLU HB3 H 2.040 0.001 2 886 76 76 GLU HG2 H 2.240 0.002 1 887 76 76 GLU HG3 H 2.240 0.002 1 888 76 76 GLU C C 173.204 0.020 1 889 76 76 GLU CA C 55.524 0.012 1 890 76 76 GLU CB C 27.511 0.035 1 891 76 76 GLU CG C 36.341 0.016 1 892 76 76 GLU N N 120.126 0.017 1 893 77 77 PRO HA H 4.777 0.003 1 894 77 77 PRO HB2 H 2.118 0.004 2 895 77 77 PRO HB3 H 1.710 0.007 2 896 77 77 PRO HG2 H 1.885 0.010 2 897 77 77 PRO HG3 H 2.119 0.006 2 898 77 77 PRO HD2 H 3.534 0.008 1 899 77 77 PRO HD3 H 3.534 0.008 1 900 77 77 PRO C C 174.933 0.020 1 901 77 77 PRO CA C 63.422 0.007 1 902 77 77 PRO CB C 32.391 0.057 1 903 77 77 PRO CG C 28.346 0.024 1 904 77 77 PRO CD C 50.407 0.060 1 905 78 78 ASN H H 8.757 0.002 1 906 78 78 ASN HA H 5.093 0.002 1 907 78 78 ASN HB2 H 2.775 0.005 2 908 78 78 ASN HB3 H 2.683 0.002 2 909 78 78 ASN HD21 H 7.666 0.001 1 910 78 78 ASN HD22 H 7.071 0.001 1 911 78 78 ASN C C 172.876 0.005 1 912 78 78 ASN CA C 51.928 0.006 1 913 78 78 ASN CB C 42.017 0.008 1 914 78 78 ASN N N 119.292 0.028 1 915 78 78 ASN ND2 N 114.596 0.078 1 916 79 79 PHE H H 8.920 0.002 1 917 79 79 PHE HA H 5.423 0.005 1 918 79 79 PHE HB2 H 3.117 0.003 2 919 79 79 PHE HB3 H 2.987 0.004 2 920 79 79 PHE HD1 H 7.175 0.005 3 921 79 79 PHE HD2 H 7.175 0.005 3 922 79 79 PHE HE1 H 7.250 0.004 3 923 79 79 PHE HE2 H 7.250 0.004 3 924 79 79 PHE HZ H 7.262 0.007 1 925 79 79 PHE C C 174.552 0.011 1 926 79 79 PHE CA C 55.210 0.004 1 927 79 79 PHE CB C 40.109 0.023 1 928 79 79 PHE CD1 C 131.210 0.080 3 929 79 79 PHE CD2 C 131.210 0.080 3 930 79 79 PHE CE1 C 131.714 0.079 3 931 79 79 PHE CE2 C 131.714 0.079 3 932 79 79 PHE CZ C 130.098 0.008 1 933 79 79 PHE N N 125.023 0.016 1 934 80 80 GLU H H 8.919 0.002 1 935 80 80 GLU HA H 4.208 0.005 1 936 80 80 GLU HB2 H 1.873 0.004 1 937 80 80 GLU HB3 H 1.873 0.004 1 938 80 80 GLU HG2 H 2.154 0.002 2 939 80 80 GLU HG3 H 2.051 0.004 2 940 80 80 GLU C C 175.538 0.005 1 941 80 80 GLU CA C 55.724 0.033 1 942 80 80 GLU CB C 32.135 0.010 1 943 80 80 GLU CG C 36.102 0.018 1 944 80 80 GLU N N 128.920 0.028 1 945 81 81 GLY H H 8.498 0.002 1 946 81 81 GLY HA2 H 4.099 0.003 2 947 81 81 GLY HA3 H 3.508 0.006 2 948 81 81 GLY C C 173.950 0.013 1 949 81 81 GLY CA C 46.967 0.005 1 950 81 81 GLY N N 116.695 0.035 1 951 82 82 ARG H H 8.518 0.002 1 952 82 82 ARG HA H 4.539 0.002 1 953 82 82 ARG HB2 H 2.009 0.002 2 954 82 82 ARG HB3 H 1.562 0.003 2 955 82 82 ARG HG2 H 1.655 0.010 2 956 82 82 ARG HG3 H 1.561 0.010 2 957 82 82 ARG HD2 H 3.243 0.002 1 958 82 82 ARG HD3 H 3.243 0.002 1 959 82 82 ARG C C 173.437 0.012 1 960 82 82 ARG CA C 55.156 0.041 1 961 82 82 ARG CB C 30.255 0.027 1 962 82 82 ARG CG C 27.020 0.002 1 963 82 82 ARG CD C 42.880 0.011 1 964 82 82 ARG N N 124.481 0.028 1 965 83 83 TYR H H 7.886 0.003 1 966 83 83 TYR HA H 5.948 0.005 1 967 83 83 TYR HB2 H 2.881 0.014 2 968 83 83 TYR HB3 H 2.924 0.011 2 969 83 83 TYR HD1 H 7.050 0.003 3 970 83 83 TYR HD2 H 7.050 0.003 3 971 83 83 TYR HE1 H 6.720 0.003 3 972 83 83 TYR HE2 H 6.720 0.003 3 973 83 83 TYR C C 175.909 0.010 1 974 83 83 TYR CA C 56.057 0.010 1 975 83 83 TYR CB C 42.999 0.022 1 976 83 83 TYR CD1 C 134.056 0.033 3 977 83 83 TYR CD2 C 134.056 0.033 3 978 83 83 TYR CE1 C 117.818 0.061 3 979 83 83 TYR CE2 C 117.818 0.061 3 980 83 83 TYR N N 114.539 0.043 1 981 84 84 VAL H H 8.737 0.002 1 982 84 84 VAL HA H 4.867 0.002 1 983 84 84 VAL HB H 1.765 0.004 1 984 84 84 VAL HG1 H 1.017 0.003 2 985 84 84 VAL HG2 H 0.717 0.004 2 986 84 84 VAL C C 174.982 0.005 1 987 84 84 VAL CA C 61.235 0.011 1 988 84 84 VAL CB C 32.491 0.013 1 989 84 84 VAL CG1 C 21.655 0.021 2 990 84 84 VAL CG2 C 23.463 0.019 2 991 84 84 VAL N N 118.812 0.054 1 992 85 85 ASN H H 8.978 0.003 1 993 85 85 ASN HA H 6.004 0.004 1 994 85 85 ASN HB2 H 2.793 0.006 2 995 85 85 ASN HB3 H 2.504 0.002 2 996 85 85 ASN HD21 H 7.050 0.003 1 997 85 85 ASN HD22 H 7.211 0.001 1 998 85 85 ASN C C 175.392 0.009 1 999 85 85 ASN CA C 52.596 0.011 1 1000 85 85 ASN CB C 44.206 0.016 1 1001 85 85 ASN N N 124.630 0.024 1 1002 85 85 ASN ND2 N 114.071 0.031 1 1003 86 86 MET H H 8.986 0.003 1 1004 86 86 MET HA H 4.640 0.005 1 1005 86 86 MET HB2 H 1.900 0.006 2 1006 86 86 MET HB3 H 2.274 0.011 2 1007 86 86 MET HG2 H 2.417 0.006 2 1008 86 86 MET HG3 H 2.245 0.007 2 1009 86 86 MET HE H 2.040 0.002 1 1010 86 86 MET C C 172.378 0.009 1 1011 86 86 MET CA C 56.158 0.023 1 1012 86 86 MET CB C 39.138 0.023 1 1013 86 86 MET CG C 31.094 0.064 1 1014 86 86 MET CE C 16.772 0.004 1 1015 86 86 MET N N 118.969 0.027 1 1016 87 87 LEU H H 8.660 0.003 1 1017 87 87 LEU HA H 5.381 0.004 1 1018 87 87 LEU HB2 H 1.880 0.004 2 1019 87 87 LEU HB3 H 1.416 0.006 2 1020 87 87 LEU HD1 H 0.875 0.002 2 1021 87 87 LEU HD2 H 0.873 0.003 2 1022 87 87 LEU C C 176.003 0.007 1 1023 87 87 LEU CA C 54.130 0.008 1 1024 87 87 LEU CB C 44.473 0.038 1 1025 87 87 LEU CD1 C 25.665 0.011 2 1026 87 87 LEU CD2 C 24.573 0.027 2 1027 87 87 LEU N N 131.886 0.018 1 1028 88 88 VAL H H 9.646 0.003 1 1029 88 88 VAL HA H 5.510 0.003 1 1030 88 88 VAL HB H 2.636 0.002 1 1031 88 88 VAL HG1 H 1.191 0.005 2 1032 88 88 VAL HG2 H 1.209 0.007 2 1033 88 88 VAL C C 173.666 0.005 1 1034 88 88 VAL CA C 58.600 0.016 1 1035 88 88 VAL CB C 34.793 0.009 1 1036 88 88 VAL CG1 C 20.378 0.002 2 1037 88 88 VAL CG2 C 22.793 0.003 2 1038 88 88 VAL N N 121.165 0.027 1 1039 89 89 THR H H 8.950 0.003 1 1040 89 89 THR HA H 4.720 0.003 1 1041 89 89 THR HB H 3.860 0.003 1 1042 89 89 THR HG2 H 0.338 0.002 1 1043 89 89 THR C C 171.898 0.020 1 1044 89 89 THR CA C 57.985 0.010 1 1045 89 89 THR CB C 69.113 0.010 1 1046 89 89 THR CG2 C 19.668 0.004 1 1047 89 89 THR N N 111.786 0.023 1 1048 90 90 PRO HA H 4.583 0.004 1 1049 90 90 PRO HB2 H 2.603 0.003 2 1050 90 90 PRO HB3 H 1.972 0.001 2 1051 90 90 PRO HG2 H 2.097 0.004 2 1052 90 90 PRO HG3 H 2.284 0.004 2 1053 90 90 PRO HD2 H 3.564 0.004 2 1054 90 90 PRO HD3 H 3.869 0.006 2 1055 90 90 PRO C C 177.403 0.007 1 1056 90 90 PRO CA C 63.531 0.011 1 1057 90 90 PRO CB C 32.043 0.042 1 1058 90 90 PRO CG C 28.139 0.049 1 1059 90 90 PRO CD C 50.865 0.025 1 1060 91 91 LYS H H 8.111 0.002 1 1061 91 91 LYS HA H 4.111 0.003 1 1062 91 91 LYS HB2 H 1.599 0.011 2 1063 91 91 LYS HB3 H 1.407 0.002 2 1064 91 91 LYS HG2 H 1.254 0.007 1 1065 91 91 LYS HG3 H 1.254 0.007 1 1066 91 91 LYS HD2 H 1.552 0.003 1 1067 91 91 LYS HD3 H 1.552 0.003 1 1068 91 91 LYS HE2 H 2.943 0.006 1 1069 91 91 LYS HE3 H 2.943 0.006 1 1070 91 91 LYS C C 176.568 0.003 1 1071 91 91 LYS CA C 57.208 0.019 1 1072 91 91 LYS CB C 33.183 0.036 1 1073 91 91 LYS CG C 25.080 0.014 1 1074 91 91 LYS CD C 29.038 0.006 1 1075 91 91 LYS CE C 41.804 0.020 1 1076 91 91 LYS N N 123.696 0.020 1 1077 92 92 LYS H H 8.366 0.002 1 1078 92 92 LYS HA H 4.316 0.004 1 1079 92 92 LYS HB2 H 1.741 0.005 1 1080 92 92 LYS HB3 H 1.741 0.005 1 1081 92 92 LYS HG2 H 1.353 0.010 1 1082 92 92 LYS HG3 H 1.353 0.010 1 1083 92 92 LYS HD2 H 1.675 0.010 1 1084 92 92 LYS HD3 H 1.675 0.010 1 1085 92 92 LYS HE2 H 2.979 0.010 1 1086 92 92 LYS HE3 H 2.979 0.010 1 1087 92 92 LYS C C 175.956 0.002 1 1088 92 92 LYS CA C 55.942 0.023 1 1089 92 92 LYS CB C 33.000 0.005 1 1090 92 92 LYS CG C 24.751 0.011 1 1091 92 92 LYS CD C 28.891 0.020 1 1092 92 92 LYS CE C 41.810 0.020 1 1093 92 92 LYS N N 122.054 0.040 1 1094 93 93 ALA H H 8.328 0.001 1 1095 93 93 ALA HA H 4.341 0.002 1 1096 93 93 ALA HB H 1.379 0.002 1 1097 93 93 ALA C C 177.592 0.004 1 1098 93 93 ALA CA C 52.279 0.004 1 1099 93 93 ALA CB C 19.332 0.003 1 1100 93 93 ALA N N 126.278 0.019 1 1101 94 94 GLU H H 8.474 0.001 1 1102 94 94 GLU HA H 4.284 0.002 1 1103 94 94 GLU HB2 H 1.942 0.003 2 1104 94 94 GLU HB3 H 2.044 0.003 2 1105 94 94 GLU HG2 H 2.270 0.003 1 1106 94 94 GLU HG3 H 2.270 0.003 1 1107 94 94 GLU C C 177.041 0.011 1 1108 94 94 GLU CA C 56.606 0.017 1 1109 94 94 GLU CB C 30.353 0.013 1 1110 94 94 GLU CG C 36.194 0.020 1 1111 94 94 GLU N N 120.522 0.014 1 1112 95 95 GLY H H 8.453 0.001 1 1113 95 95 GLY HA2 H 3.913 0.010 1 1114 95 95 GLY HA3 H 3.913 0.010 1 1115 95 95 GLY C C 173.939 0.020 1 1116 95 95 GLY CA C 45.168 0.002 1 1117 95 95 GLY N N 109.755 0.021 1 stop_ save_