data_6762 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The response regulator TorI belongs to a new family of atypical excisionase ; _BMRB_accession_number 6762 _BMRB_flat_file_name bmr6762.str _Entry_type original _Submission_date 2005-08-04 _Accession_date 2005-08-05 _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 Elantak Latifa . . 2 Ansaldi Mireille . . 3 Guerlesquin Fran?oise . . 4 Mejean Vincent . . 5 Morelli Xavier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 766 "13C chemical shifts" 222 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-06 original author . stop_ _Original_release_date 2007-02-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Genetic analyses reveal a key role in prophage excision for the TorI response regulator inhibitor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16079126 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elantak Latifa . . 2 Ansaldi Mireille . . 3 Guerlesquin Fran?oise . . 4 Mejean Vincent . . 5 Morelli Xavier . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 36802 _Page_last 36808 _Year 2005 _Details . loop_ _Keyword 'winged helix' 'reverse turn' stop_ save_ ################################## # Molecular system description # ################################## save_system_torI _Saveframe_category molecular_system _Mol_system_name 'Tor inhibition protein' _Abbreviation_common torI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tor inhibition protein' $torI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'prophage excisionase' 'inhibitor of the Tor sytem' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_torI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'prophage excisionase' _Abbreviation_common torI _Molecular_mass 7677 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MQHELQPDSLVDLKFIMADT GFGKTFIYDRIKSGDLPKAK VIHGRARWLYRDHCEFKNKL LSRANG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 HIS 4 GLU 5 LEU 6 GLN 7 PRO 8 ASP 9 SER 10 LEU 11 VAL 12 ASP 13 LEU 14 LYS 15 PHE 16 ILE 17 MET 18 ALA 19 ASP 20 THR 21 GLY 22 PHE 23 GLY 24 LYS 25 THR 26 PHE 27 ILE 28 TYR 29 ASP 30 ARG 31 ILE 32 LYS 33 SER 34 GLY 35 ASP 36 LEU 37 PRO 38 LYS 39 ALA 40 LYS 41 VAL 42 ILE 43 HIS 44 GLY 45 ARG 46 ALA 47 ARG 48 TRP 49 LEU 50 TYR 51 ARG 52 ASP 53 HIS 54 CYS 55 GLU 56 PHE 57 LYS 58 ASN 59 LYS 60 LEU 61 LEU 62 SER 63 ARG 64 ALA 65 ASN 66 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Z4H "The Response Regulator Tori Belongs To A New Family Of Atypical Excisionase" 100.00 66 100.00 100.00 3.13e-41 DBJ BAE76704 "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. W3110]" 100.00 66 100.00 100.00 3.13e-41 DBJ BAI26599 "hypothetical protein ECO26_3393 [Escherichia coli O26:H11 str. 11368]" 100.00 66 100.00 100.00 3.13e-41 DBJ BAJ44158 "response regulator inhibitor for tor operon [Escherichia coli DH1]" 100.00 66 100.00 100.00 3.13e-41 DBJ BAL39139 "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. MDS42]" 100.00 66 100.00 100.00 3.13e-41 EMBL CAR03832 "response regulator inhibitor for tor operon [Escherichia coli S88]" 100.00 66 100.00 100.00 3.13e-41 EMBL CAS10101 "response regulator inhibitor for tor operon [Escherichia coli O127:H6 str. E2348/69]" 100.00 66 100.00 100.00 3.13e-41 EMBL CAU98520 "response regulator inhibitor for tor operon [Escherichia coli 55989]" 100.00 66 100.00 100.00 3.13e-41 EMBL CCK47653 "unnamed protein product [Escherichia coli chi7122]" 100.00 66 100.00 100.00 3.13e-41 EMBL CCQ29767 "response regulator inhibitor for tor operon [Escherichia coli]" 100.00 66 100.00 100.00 3.13e-41 GB AAK28851 "unknown [Salmonella phage HK620]" 100.00 66 100.00 100.00 3.13e-41 GB AAQ12208 "gene 18 protein [Shigella phage Sf6]" 100.00 66 100.00 100.00 3.13e-41 GB AAY17072 "TorI [Escherichia coli]" 100.00 66 100.00 100.00 3.13e-41 GB ABD18695 "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. MG1655]" 100.00 66 100.00 100.00 3.13e-41 GB ABE08160 "hypothetical protein UTI89_C2694 [Escherichia coli UTI89]" 100.00 66 100.00 100.00 3.13e-41 REF NP_112036 "hypothetical protein HK620p03 [Enterobacteria phage HK620]" 100.00 66 100.00 100.00 3.13e-41 REF NP_958194 "gene 18 protein [Enterobacteria phage Sf6]" 100.00 66 100.00 100.00 3.13e-41 REF WP_001163427 "excisionase [Shigella dysenteriae]" 100.00 66 98.48 100.00 1.17e-40 REF WP_001163428 "MULTISPECIES: response regulator inhibitor for tor operon [Enterobacteriaceae]" 100.00 66 100.00 100.00 3.13e-41 REF WP_001163429 "excisionase [Escherichia coli]" 100.00 66 98.48 98.48 1.22e-40 SP Q1R904 "RecName: Full=Response regulator inhibitor for tor operon; Short=Tor inhibitor [Escherichia coli UTI89]" 100.00 66 100.00 100.00 3.13e-41 SP Q2EES9 "RecName: Full=Response regulator inhibitor for tor operon; Short=Tor inhibitor [Escherichia coli K-12]" 100.00 66 100.00 100.00 3.13e-41 SP Q716F7 "RecName: Full=Probable excisionase hkaC [Shigella phage Sf6]" 100.00 66 100.00 100.00 3.13e-41 SP Q9AZ38 "RecName: Full=Probable excisionase hkaC [Salmonella phage HK620]" 100.00 66 100.00 100.00 3.13e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $torI 'E. coli' 562 Eubacteria . Escherichia coli BL21 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 $torI 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $torI 1.5 mM '[U-95% 13C; U-95% 15N]' 'phosphate buffer' 50 mM . H20 90 % . D20 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $torI 1.5 mM . 'phosphate buffer' 50 mM . H20 90 % . D20 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $torI 1.5 mM '[U-95% 15N]' 'phosphate buffer' 50 mM . H20 90 % . D20 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $torI 1.5 mM '[U-95% 13C]' 'phosphate buffer' 50 mM . H20 90 % . D20 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task Processing stop_ _Details Bruker save_ save_FELIX _Saveframe_category software _Name FELIX _Version 2002 loop_ _Task 'data analysis' stop_ _Details Accelrys save_ save_CNS _Saveframe_category software _Name CNS _Version 'ARIA 1.2' loop_ _Task 'structure solution' refinement stop_ _Details Brunger/Nilges save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label . save_ save_3D-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_2D_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_3D_13C-separated_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.9 0.1 pH temperature 278 1 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' 3D-HNCO 3D-HNCA CBCA(CO)NH HN(CO)CA HCCH-TOCSY '2D NOESY' '2D TOCSY' '3D 13C-separated NOESY' HNHA stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Tor inhibition protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 HIS H H 8.471 0.02 . 2 . 3 HIS HA H 4.410 0.02 . 3 . 3 HIS HB2 H 2.946 0.02 . 4 . 3 HIS HB3 H 2.859 0.02 . 5 . 3 HIS CB C 29.540 0.05 . 6 . 3 HIS N N 121.938 0.05 . 7 . 4 GLU H H 8.377 0.02 . 8 . 4 GLU HA H 4.012 0.02 . 9 . 4 GLU HB2 H 2.001 0.02 . 10 . 4 GLU HG2 H 1.754 0.02 . 11 . 4 GLU HG3 H 1.754 0.02 . 12 . 4 GLU CA C 56.144 0.05 . 13 . 4 GLU CB C 29.959 0.05 . 14 . 4 GLU N N 123.250 0.05 . 15 . 5 LEU H H 7.908 0.02 . 16 . 5 LEU HA H 3.830 0.02 . 17 . 5 LEU HB2 H 0.960 0.02 . 18 . 5 LEU HB3 H 0.960 0.02 . 19 . 5 LEU HG H 0.433 0.02 . 20 . 5 LEU HD1 H 0.178 0.02 . 21 . 5 LEU HD2 H -0.064 0.02 . 22 . 5 LEU CA C 54.534 0.05 . 23 . 5 LEU CB C 41.867 0.05 . 24 . 5 LEU N N 125.188 0.05 . 25 . 6 GLN H H 8.310 0.02 . 26 . 6 GLN HA H 4.453 0.02 . 27 . 6 GLN HB2 H 1.692 0.02 . 28 . 6 GLN HB3 H 1.692 0.02 . 29 . 6 GLN HG2 H 2.182 0.02 . 30 . 6 GLN HG3 H 2.134 0.02 . 31 . 6 GLN HE21 H 7.321 0.02 . 32 . 6 GLN HE22 H 6.733 0.02 . 33 . 6 GLN CA C 53.047 0.05 . 34 . 6 GLN N N 121.938 0.05 . 35 . 7 PRO HA H 4.212 0.02 . 36 . 7 PRO HB2 H 2.214 0.02 . 37 . 7 PRO HB3 H 1.999 0.02 . 38 . 7 PRO HG2 H 1.890 0.02 . 39 . 7 PRO HG3 H 1.814 0.02 . 40 . 7 PRO HD2 H 3.707 0.02 . 41 . 7 PRO HD3 H 3.649 0.02 . 42 . 7 PRO CB C 32.178 0.05 . 43 . 8 ASP H H 7.809 0.02 . 44 . 8 ASP HA H 4.648 0.02 . 45 . 8 ASP HB2 H 2.552 0.02 . 46 . 8 ASP HB3 H 2.458 0.02 . 47 . 8 ASP CA C 52.731 0.05 . 48 . 8 ASP CB C 39.406 0.05 . 49 . 8 ASP N N 111.438 0.05 . 50 . 9 SER H H 7.889 0.02 . 51 . 9 SER HA H 4.045 0.02 . 52 . 9 SER HB2 H 3.619 0.02 . 53 . 9 SER HB3 H 3.572 0.02 . 54 . 9 SER CA C 60.330 0.05 . 55 . 9 SER CB C 63.253 0.05 . 56 . 9 SER N N 119.312 0.05 . 57 . 10 LEU H H 8.326 0.02 . 58 . 10 LEU HA H 5.011 0.02 . 59 . 10 LEU HB2 H 1.591 0.02 . 60 . 10 LEU HB3 H 1.591 0.02 . 61 . 10 LEU HG H 1.485 0.02 . 62 . 10 LEU CA C 53.300 0.05 . 63 . 10 LEU CB C 43.021 0.05 . 64 . 10 LEU N N 123.906 0.05 . 65 . 11 VAL H H 9.625 0.02 . 66 . 11 VAL HA H 4.601 0.02 . 67 . 11 VAL HB H 1.750 0.02 . 68 . 11 VAL HG1 H 0.598 0.02 . 69 . 11 VAL HG2 H 0.598 0.02 . 70 . 11 VAL CA C 58.302 0.05 . 71 . 11 VAL CB C 34.368 0.05 . 72 . 11 VAL N N 118.656 0.05 . 73 . 12 ASP H H 7.785 0.02 . 74 . 12 ASP HA H 5.280 0.02 . 75 . 12 ASP HB2 H 3.255 0.02 . 76 . 12 ASP HB3 H 3.255 0.02 . 77 . 12 ASP CA C 50.774 0.05 . 78 . 12 ASP CB C 43.060 0.05 . 79 . 12 ASP N N 121.281 0.05 . 80 . 13 LEU H H 8.981 0.02 . 81 . 13 LEU HA H 3.720 0.02 . 82 . 13 LEU HB2 H 1.724 0.02 . 83 . 13 LEU HB3 H 1.724 0.02 . 84 . 13 LEU HG H 1.804 0.02 . 85 . 13 LEU HD1 H 0.880 0.02 . 86 . 13 LEU HD2 H 0.880 0.02 . 87 . 13 LEU CA C 57.725 0.05 . 88 . 13 LEU CB C 41.742 0.05 . 89 . 13 LEU N N 121.938 0.05 . 90 . 14 LYS H H 7.814 0.02 . 91 . 14 LYS HA H 3.719 0.02 . 92 . 14 LYS HB2 H 1.750 0.02 . 93 . 14 LYS HB3 H 1.750 0.02 . 94 . 14 LYS HG2 H 1.689 0.02 . 95 . 14 LYS HG3 H 1.689 0.02 . 96 . 14 LYS HD2 H 1.572 0.02 . 97 . 14 LYS HD3 H 1.572 0.02 . 98 . 14 LYS CA C 59.726 0.05 . 99 . 14 LYS CB C 31.207 0.05 . 100 . 14 LYS N N 118.810 0.05 . 101 . 15 PHE H H 8.089 0.02 . 102 . 15 PHE HA H 3.859 0.02 . 103 . 15 PHE HB2 H 3.252 0.02 . 104 . 15 PHE HB3 H 3.122 0.02 . 105 . 15 PHE HD1 H 6.640 0.02 . 106 . 15 PHE HD2 H 6.640 0.02 . 107 . 15 PHE HE1 H 6.712 0.02 . 108 . 15 PHE HE2 H 6.712 0.02 . 109 . 15 PHE HZ H 6.940 0.02 . 110 . 15 PHE CA C 61.722 0.05 . 111 . 15 PHE CB C 39.021 0.05 . 112 . 15 PHE N N 122.906 0.05 . 113 . 16 ILE H H 7.821 0.02 . 114 . 16 ILE HA H 3.128 0.02 . 115 . 16 ILE HB H 1.481 0.02 . 116 . 16 ILE HG12 H 1.577 0.02 . 117 . 16 ILE HG13 H 1.027 0.02 . 118 . 16 ILE HG2 H 0.771 0.02 . 119 . 16 ILE HD1 H -0.227 0.02 . 120 . 16 ILE CA C 65.931 0.05 . 121 . 16 ILE CB C 37.967 0.05 . 122 . 16 ILE N N 122.594 0.05 . 123 . 17 MET H H 8.630 0.02 . 124 . 17 MET HA H 3.771 0.02 . 125 . 17 MET HB2 H 1.821 0.02 . 126 . 17 MET HB3 H 1.821 0.02 . 127 . 17 MET HG2 H 2.265 0.02 . 128 . 17 MET HG3 H 2.265 0.02 . 129 . 17 MET CA C 59.782 0.05 . 130 . 17 MET N N 121.281 0.05 . 131 . 18 ALA H H 7.874 0.02 . 132 . 18 ALA HA H 3.858 0.02 . 133 . 18 ALA HB H 1.138 0.02 . 134 . 18 ALA CA C 54.446 0.05 . 135 . 18 ALA CB C 17.563 0.05 . 136 . 18 ALA N N 123.906 0.05 . 137 . 19 ASP H H 8.184 0.02 . 138 . 19 ASP HA H 4.107 0.02 . 139 . 19 ASP HB2 H 1.984 0.02 . 140 . 19 ASP HB3 H 1.984 0.02 . 141 . 19 ASP CA C 55.882 0.05 . 142 . 19 ASP CB C 43.158 0.05 . 143 . 19 ASP N N 116.688 0.05 . 144 . 20 THR H H 7.142 0.02 . 145 . 20 THR HA H 3.831 0.02 . 146 . 20 THR HB H 3.773 0.02 . 147 . 20 THR HG2 H 0.951 0.02 . 148 . 20 THR CA C 61.409 0.05 . 149 . 20 THR CB C 70.916 0.05 . 150 . 20 THR N N 103.562 0.05 . 151 . 21 GLY H H 7.912 0.02 . 152 . 21 GLY HA2 H 3.694 0.02 . 153 . 21 GLY HA3 H 3.445 0.02 . 154 . 21 GLY CA C 45.256 0.05 . 155 . 21 GLY N N 112.096 0.05 . 156 . 22 PHE H H 7.633 0.02 . 157 . 22 PHE HA H 4.539 0.02 . 158 . 22 PHE HB2 H 3.024 0.02 . 159 . 22 PHE HB3 H 2.655 0.02 . 160 . 22 PHE HD1 H 6.561 0.02 . 161 . 22 PHE HD2 H 6.561 0.02 . 162 . 22 PHE HE1 H 6.648 0.02 . 163 . 22 PHE HE2 H 6.648 0.02 . 164 . 22 PHE HZ H 6.759 0.02 . 165 . 22 PHE CA C 54.851 0.05 . 166 . 22 PHE CB C 40.622 0.05 . 167 . 22 PHE N N 120.625 0.05 . 168 . 23 GLY H H 8.270 0.02 . 169 . 23 GLY HA2 H 4.130 0.02 . 170 . 23 GLY HA3 H 4.130 0.02 . 171 . 23 GLY CA C 43.574 0.05 . 172 . 23 GLY N N 106.847 0.05 . 173 . 24 LYS H H 8.377 0.02 . 174 . 24 LYS HA H 3.486 0.02 . 175 . 24 LYS HB2 H 1.660 0.02 . 176 . 24 LYS HB3 H 1.660 0.02 . 177 . 24 LYS HG2 H 1.557 0.02 . 178 . 24 LYS HG3 H 1.557 0.02 . 179 . 24 LYS CA C 60.636 0.05 . 180 . 24 LYS CB C 32.425 0.05 . 181 . 24 LYS N N 121.281 0.05 . 182 . 25 THR H H 8.248 0.02 . 183 . 25 THR HA H 3.642 0.02 . 184 . 25 THR HB H 3.958 0.02 . 185 . 25 THR HG2 H 1.050 0.02 . 186 . 25 THR CA C 66.268 0.05 . 187 . 25 THR CB C 67.948 0.05 . 188 . 25 THR N N 114.050 0.05 . 189 . 26 PHE H H 7.551 0.02 . 190 . 26 PHE HA H 4.003 0.02 . 191 . 26 PHE HB2 H 2.924 0.02 . 192 . 26 PHE HB3 H 2.924 0.02 . 193 . 26 PHE HD1 H 6.652 0.02 . 194 . 26 PHE HD2 H 6.652 0.02 . 195 . 26 PHE HE1 H 6.360 0.02 . 196 . 26 PHE HE2 H 6.360 0.02 . 197 . 26 PHE HZ H 6.564 0.02 . 198 . 26 PHE CA C 61.153 0.05 . 199 . 26 PHE CB C 39.093 0.05 . 200 . 26 PHE N N 123.562 0.05 . 201 . 27 ILE H H 7.837 0.02 . 202 . 27 ILE HA H 3.075 0.02 . 203 . 27 ILE HB H 1.641 0.02 . 204 . 27 ILE HG12 H 1.080 0.02 . 205 . 27 ILE HG13 H 1.080 0.02 . 206 . 27 ILE HG2 H 0.101 0.02 . 207 . 27 ILE HD1 H 0.574 0.02 . 208 . 27 ILE CA C 65.027 0.05 . 209 . 27 ILE CB C 36.265 0.05 . 210 . 27 ILE N N 120.125 0.05 . 211 . 28 TYR H H 8.449 0.02 . 212 . 28 TYR HA H 4.013 0.02 . 213 . 28 TYR HB2 H 2.945 0.02 . 214 . 28 TYR HB3 H 2.856 0.02 . 215 . 28 TYR HD1 H 6.992 0.02 . 216 . 28 TYR HD2 H 6.992 0.02 . 217 . 28 TYR HE1 H 6.643 0.02 . 218 . 28 TYR HE2 H 6.643 0.02 . 219 . 28 TYR CA C 61.222 0.05 . 220 . 28 TYR CB C 36.090 0.05 . 221 . 28 TYR N N 119.312 0.05 . 222 . 29 ASP HB3 H 2.270 0.02 . 223 . 29 ASP H H 8.356 0.02 . 224 . 29 ASP HA H 4.235 0.02 . 225 . 29 ASP HB2 H 2.612 0.02 . 226 . 29 ASP CA C 57.270 0.05 . 227 . 29 ASP CB C 39.541 0.05 . 228 . 29 ASP N N 125.210 0.05 . 229 . 30 ARG H H 7.793 0.02 . 230 . 30 ARG HA H 4.152 0.02 . 231 . 30 ARG HB2 H 1.820 0.02 . 232 . 30 ARG HB3 H 1.820 0.02 . 233 . 30 ARG HG2 H 1.495 0.02 . 234 . 30 ARG HG3 H 1.495 0.02 . 235 . 30 ARG HD2 H 2.792 0.02 . 236 . 30 ARG HD3 H 2.792 0.02 . 237 . 30 ARG HE H 6.637 0.02 . 238 . 30 ARG CA C 56.452 0.05 . 239 . 30 ARG CB C 29.640 0.05 . 240 . 30 ARG N N 121.938 0.05 . 241 . 31 ILE H H 7.909 0.02 . 242 . 31 ILE HA H 4.236 0.02 . 243 . 31 ILE HB H 1.307 0.02 . 244 . 31 ILE HG12 H 0.209 0.02 . 245 . 31 ILE HG13 H -0.630 0.02 . 246 . 31 ILE HG2 H -0.037 0.02 . 247 . 31 ILE HD1 H 0.660 0.02 . 248 . 31 ILE CA C 63.884 0.05 . 249 . 31 ILE CB C 38.103 0.05 . 250 . 31 ILE N N 124.562 0.05 . 251 . 32 LYS H H 7.625 0.02 . 252 . 32 LYS HA H 3.807 0.02 . 253 . 32 LYS HB2 H 1.810 0.02 . 254 . 32 LYS HB3 H 1.757 0.02 . 255 . 32 LYS HG2 H 1.362 0.02 . 256 . 32 LYS HG3 H 1.221 0.02 . 257 . 32 LYS HD2 H 1.494 0.02 . 258 . 32 LYS HD3 H 1.494 0.02 . 259 . 32 LYS CA C 59.454 0.05 . 260 . 32 LYS CB C 31.431 0.05 . 261 . 32 LYS N N 123.906 0.05 . 262 . 33 SER H H 7.574 0.02 . 263 . 33 SER HA H 4.127 0.02 . 264 . 33 SER HB2 H 3.770 0.02 . 265 . 33 SER HB3 H 3.597 0.02 . 266 . 33 SER CA C 59.210 0.05 . 267 . 33 SER CB C 63.603 0.05 . 268 . 33 SER N N 112.094 0.05 . 269 . 34 GLY H H 7.439 0.02 . 270 . 34 GLY HA2 H 3.994 0.02 . 271 . 34 GLY HA3 H 3.994 0.02 . 272 . 34 GLY CA C 45.083 0.05 . 273 . 34 GLY N N 110.128 0.05 . 274 . 35 ASP H H 8.040 0.02 . 275 . 35 ASP HA H 4.240 0.02 . 276 . 35 ASP HB2 H 2.604 0.02 . 277 . 35 ASP HB3 H 2.252 0.02 . 278 . 35 ASP CA C 56.025 0.05 . 279 . 35 ASP CB C 51.091 0.05 . 280 . 35 ASP N N 121.281 0.05 . 281 . 36 LEU H H 6.743 0.02 . 282 . 36 LEU HA H 4.439 0.02 . 283 . 36 LEU HB2 H 1.344 0.02 . 284 . 36 LEU HB3 H 1.344 0.02 . 285 . 36 LEU HG H 0.622 0.02 . 286 . 36 LEU HD1 H -0.046 0.02 . 287 . 36 LEU HD2 H -0.046 0.02 . 288 . 36 LEU N N 122.594 0.05 . 289 . 37 PRO HA H 4.193 0.02 . 290 . 37 PRO HB2 H 1.671 0.02 . 291 . 37 PRO HB3 H 1.671 0.02 . 292 . 37 PRO HG2 H 1.923 0.02 . 293 . 37 PRO HG3 H 1.923 0.02 . 294 . 37 PRO HD2 H 3.848 0.02 . 295 . 37 PRO HD3 H 3.848 0.02 . 296 . 37 PRO CB C 32.685 0.05 . 297 . 38 LYS HD2 H 2.750 0.02 . 298 . 38 LYS H H 7.843 0.02 . 299 . 38 LYS HA H 3.882 0.02 . 300 . 38 LYS HB2 H 1.533 0.02 . 301 . 38 LYS HB3 H 1.533 0.02 . 302 . 38 LYS HG2 H 1.286 0.02 . 303 . 38 LYS HG3 H 1.286 0.02 . 304 . 38 LYS HD3 H 1.420 0.02 . 305 . 38 LYS CA C 56.675 0.05 . 306 . 38 LYS CB C 32.518 0.05 . 307 . 38 LYS N N 118.001 0.05 . 308 . 39 ALA H H 8.208 0.02 . 309 . 39 ALA HA H 2.428 0.02 . 310 . 39 ALA HB H 0.144 0.02 . 311 . 39 ALA CA C 52.026 0.05 . 312 . 39 ALA CB C 18.763 0.05 . 313 . 39 ALA N N 125.700 0.05 . 314 . 40 LYS H H 7.949 0.02 . 315 . 40 LYS HA H 4.018 0.02 . 316 . 40 LYS HB2 H 1.308 0.02 . 317 . 40 LYS HB3 H 1.308 0.02 . 318 . 40 LYS HG2 H 1.050 0.02 . 319 . 40 LYS HG3 H 1.050 0.02 . 320 . 40 LYS HD2 H 1.211 0.02 . 321 . 40 LYS HD3 H 1.211 0.02 . 322 . 40 LYS CA C 54.769 0.05 . 323 . 40 LYS CB C 33.229 0.05 . 324 . 40 LYS N N 122.250 0.05 . 325 . 41 VAL H H 8.358 0.02 . 326 . 41 VAL HA H 3.908 0.02 . 327 . 41 VAL HB H 1.592 0.02 . 328 . 41 VAL HG1 H 0.442 0.02 . 329 . 41 VAL HG2 H 0.353 0.02 . 330 . 41 VAL CA C 62.249 0.05 . 331 . 41 VAL CB C 30.231 0.05 . 332 . 41 VAL N N 125.531 0.05 . 333 . 42 ILE H H 8.392 0.02 . 334 . 42 ILE HA H 3.913 0.02 . 335 . 42 ILE HB H 1.302 0.02 . 336 . 42 ILE HG12 H 0.965 0.02 . 337 . 42 ILE HG13 H 0.965 0.02 . 338 . 42 ILE HG2 H 0.440 0.02 . 339 . 42 ILE HD1 H 0.695 0.02 . 340 . 42 ILE CA C 59.334 0.05 . 341 . 42 ILE CB C 39.504 0.05 . 342 . 42 ILE N N 131.125 0.05 . 343 . 43 HIS H H 9.561 0.02 . 344 . 43 HIS HA H 4.734 0.02 . 345 . 43 HIS HB2 H 2.965 0.02 . 346 . 43 HIS HB3 H 2.965 0.02 . 347 . 43 HIS CA C 55.932 0.05 . 348 . 43 HIS CB C 27.190 0.05 . 349 . 43 HIS N N 129.811 0.05 . 350 . 44 GLY H H 8.284 0.02 . 351 . 44 GLY HA2 H 3.884 0.02 . 352 . 44 GLY HA3 H 3.228 0.02 . 353 . 44 GLY CA C 45.266 0.05 . 354 . 44 GLY N N 103.567 0.05 . 355 . 45 ARG H H 7.414 0.02 . 356 . 45 ARG HA H 4.483 0.02 . 357 . 45 ARG HB2 H 1.584 0.02 . 358 . 45 ARG HB3 H 1.584 0.02 . 359 . 45 ARG HG2 H 1.424 0.02 . 360 . 45 ARG HG3 H 1.424 0.02 . 361 . 45 ARG HD2 H 3.229 0.02 . 362 . 45 ARG HD3 H 3.229 0.02 . 363 . 45 ARG CA C 53.953 0.05 . 364 . 45 ARG CB C 31.994 0.05 . 365 . 45 ARG N N 121.281 0.05 . 366 . 46 ALA H H 8.527 0.02 . 367 . 46 ALA HA H 3.952 0.02 . 368 . 46 ALA HB H 0.862 0.02 . 369 . 46 ALA CA C 52.040 0.05 . 370 . 46 ALA CB C 18.333 0.05 . 371 . 46 ALA N N 127.844 0.05 . 372 . 47 ARG H H 8.530 0.02 . 373 . 47 ARG HA H 4.975 0.02 . 374 . 47 ARG HB2 H 1.328 0.02 . 375 . 47 ARG HB3 H 1.328 0.02 . 376 . 47 ARG HG2 H 1.525 0.02 . 377 . 47 ARG HG3 H 1.525 0.02 . 378 . 47 ARG CA C 53.146 0.05 . 379 . 47 ARG CB C 35.631 0.05 . 380 . 47 ARG N N 125.219 0.05 . 381 . 48 TRP H H 9.057 0.02 . 382 . 48 TRP HA H 4.494 0.02 . 383 . 48 TRP HB2 H 2.601 0.02 . 384 . 48 TRP HB3 H 3.054 0.02 . 385 . 48 TRP HD1 H 6.702 0.02 . 386 . 48 TRP HE1 H 9.455 0.02 . 387 . 48 TRP CA C 57.823 0.05 . 388 . 48 TRP CB C 33.154 0.05 . 389 . 48 TRP N N 122.594 0.05 . 390 . 49 LEU H H 9.824 0.02 . 391 . 49 LEU HA H 4.592 0.02 . 392 . 49 LEU HB2 H 1.736 0.02 . 393 . 49 LEU HB3 H 1.535 0.02 . 394 . 49 LEU HG H 1.460 0.02 . 395 . 49 LEU HD1 H 0.760 0.02 . 396 . 49 LEU HD2 H 0.677 0.02 . 397 . 49 LEU CA C 54.528 0.05 . 398 . 49 LEU CB C 42.105 0.05 . 399 . 49 LEU N N 123.250 0.05 . 400 . 50 TYR H H 9.555 0.02 . 401 . 50 TYR HA H 4.088 0.02 . 402 . 50 TYR HB2 H 3.195 0.02 . 403 . 50 TYR HB3 H 3.195 0.02 . 404 . 50 TYR HD1 H 6.570 0.02 . 405 . 50 TYR HD2 H 6.570 0.02 . 406 . 50 TYR HE1 H 6.942 0.02 . 407 . 50 TYR HE2 H 6.942 0.02 . 408 . 50 TYR CA C 61.577 0.05 . 409 . 50 TYR CB C 36.571 0.05 . 410 . 50 TYR N N 127.843 0.05 . 411 . 51 ARG H H 9.402 0.02 . 412 . 51 ARG HA H 3.831 0.02 . 413 . 51 ARG HB2 H 1.813 0.02 . 414 . 51 ARG HB3 H 1.522 0.02 . 415 . 51 ARG HG2 H 1.450 0.02 . 416 . 51 ARG HG3 H 1.395 0.02 . 417 . 51 ARG HD2 H 2.973 0.02 . 418 . 51 ARG HD3 H 2.920 0.02 . 419 . 51 ARG HE H 7.125 0.02 . 420 . 51 ARG CA C 59.121 0.05 . 421 . 51 ARG CB C 29.399 0.05 . 422 . 51 ARG N N 118.656 0.05 . 423 . 52 ASP H H 6.886 0.02 . 424 . 52 ASP HA H 4.374 0.02 . 425 . 52 ASP HB2 H 2.939 0.02 . 426 . 52 ASP HB3 H 2.294 0.02 . 427 . 52 ASP CB C 39.841 0.05 . 428 . 52 ASP N N 121.625 0.05 . 429 . 53 HIS H H 7.897 0.02 . 430 . 53 HIS HA H 4.167 0.02 . 431 . 53 HIS HB2 H 3.242 0.02 . 432 . 53 HIS HB3 H 3.242 0.02 . 433 . 53 HIS HD2 H 6.795 0.02 . 434 . 53 HIS HE1 H 7.363 0.02 . 435 . 53 HIS CA C 60.375 0.05 . 436 . 53 HIS CB C 31.108 0.05 . 437 . 53 HIS N N 124.550 0.05 . 438 . 54 CYS H H 8.288 0.02 . 439 . 54 CYS HA H 3.371 0.02 . 440 . 54 CYS HB2 H 2.599 0.02 . 441 . 54 CYS HB3 H 2.599 0.02 . 442 . 54 CYS CA C 59.081 0.05 . 443 . 54 CYS N N 117.344 0.05 . 444 . 55 GLU H H 7.439 0.02 . 445 . 55 GLU HA H 3.880 0.02 . 446 . 55 GLU HB2 H 1.934 0.02 . 447 . 55 GLU HB3 H 1.934 0.02 . 448 . 55 GLU HG2 H 2.197 0.02 . 449 . 55 GLU HG3 H 2.146 0.02 . 450 . 55 GLU CA C 59.081 0.05 . 451 . 55 GLU CB C 28.465 0.05 . 452 . 55 GLU N N 121.281 0.05 . 453 . 56 PHE H H 7.729 0.02 . 454 . 56 PHE HA H 4.300 0.02 . 455 . 56 PHE HB2 H 3.192 0.02 . 456 . 56 PHE HB3 H 3.192 0.02 . 457 . 56 PHE HD1 H 7.009 0.02 . 458 . 56 PHE HD2 H 7.009 0.02 . 459 . 56 PHE HE1 H 6.760 0.02 . 460 . 56 PHE HE2 H 6.760 0.02 . 461 . 56 PHE HZ H 6.693 0.02 . 462 . 56 PHE N N 123.906 0.05 . 463 . 57 LYS H H 8.102 0.02 . 464 . 57 LYS HA H 3.039 0.02 . 465 . 57 LYS HB2 H 1.255 0.02 . 466 . 57 LYS HB3 H 1.255 0.02 . 467 . 57 LYS HG2 H 0.818 0.02 . 468 . 57 LYS HG3 H 0.818 0.02 . 469 . 57 LYS HD2 H 1.139 0.02 . 470 . 57 LYS HD3 H 1.139 0.02 . 471 . 57 LYS HE2 H 2.608 0.02 . 472 . 57 LYS HE3 H 2.608 0.02 . 473 . 57 LYS CA C 59.827 0.05 . 474 . 57 LYS CB C 31.564 0.05 . 475 . 57 LYS N N 119.790 0.05 . 476 . 58 ASN H H 7.685 0.02 . 477 . 58 ASN HA H 4.152 0.02 . 478 . 58 ASN HB2 H 2.605 0.02 . 479 . 58 ASN HB3 H 2.545 0.02 . 480 . 58 ASN HD21 H 7.390 0.02 . 481 . 58 ASN HD22 H 6.649 0.02 . 482 . 58 ASN CA C 55.622 0.05 . 483 . 58 ASN CB C 37.779 0.05 . 484 . 58 ASN N N 118.001 0.05 . 485 . 59 LYS H H 7.978 0.02 . 486 . 59 LYS HA H 3.808 0.02 . 487 . 59 LYS HB2 H 1.863 0.02 . 488 . 59 LYS HB3 H 1.863 0.02 . 489 . 59 LYS HG2 H 1.414 0.02 . 490 . 59 LYS HG3 H 1.414 0.02 . 491 . 59 LYS HD2 H 1.644 0.02 . 492 . 59 LYS HD3 H 1.644 0.02 . 493 . 59 LYS HE2 H 3.038 0.02 . 494 . 59 LYS HE3 H 3.038 0.02 . 495 . 59 LYS HZ H 7.009 0.02 . 496 . 59 LYS CA C 59.011 0.05 . 497 . 59 LYS CB C 32.192 0.05 . 498 . 59 LYS N N 123.250 0.05 . 499 . 60 LEU H H 7.474 0.02 . 500 . 60 LEU HA H 3.805 0.02 . 501 . 60 LEU HB2 H 1.412 0.02 . 502 . 60 LEU HB3 H 1.412 0.02 . 503 . 60 LEU HG H 1.286 0.02 . 504 . 60 LEU HD1 H 0.491 0.02 . 505 . 60 LEU HD2 H 0.373 0.02 . 506 . 60 LEU CA C 56.413 0.05 . 507 . 60 LEU N N 120.625 0.05 . 508 . 61 LEU H H 7.687 0.02 . 509 . 61 LEU HA H 4.010 0.02 . 510 . 61 LEU HB2 H 1.534 0.02 . 511 . 61 LEU HB3 H 1.468 0.02 . 512 . 61 LEU HG H 1.356 0.02 . 513 . 61 LEU HD1 H 0.613 0.02 . 514 . 61 LEU HD2 H 0.613 0.02 . 515 . 61 LEU CA C 56.222 0.05 . 516 . 61 LEU CB C 41.580 0.05 . 517 . 61 LEU N N 121.281 0.05 . 518 . 62 SER H H 7.671 0.02 . 519 . 62 SER HA H 4.096 0.02 . 520 . 62 SER HB2 H 3.703 0.02 . 521 . 62 SER HB3 H 3.703 0.02 . 522 . 62 SER CA C 59.425 0.05 . 523 . 62 SER CB C 63.070 0.05 . 524 . 62 SER N N 115.719 0.05 . 525 . 63 ARG H H 7.638 0.02 . 526 . 63 ARG HA H 4.106 0.02 . 527 . 63 ARG HB2 H 1.675 0.02 . 528 . 63 ARG HB3 H 1.553 0.02 . 529 . 63 ARG HG2 H 1.467 0.02 . 530 . 63 ARG HG3 H 1.417 0.02 . 531 . 63 ARG HD2 H 2.950 0.02 . 532 . 63 ARG HD3 H 2.878 0.02 . 533 . 63 ARG HE H 7.041 0.02 . 534 . 63 ARG CA C 55.966 0.05 . 535 . 63 ARG CB C 30.171 0.05 . 536 . 63 ARG N N 123.250 0.05 . 537 . 64 ALA H H 7.850 0.02 . 538 . 64 ALA HA H 4.018 0.02 . 539 . 64 ALA HB H 1.171 0.02 . 540 . 64 ALA CA C 52.766 0.05 . 541 . 64 ALA CB C 18.780 0.05 . 542 . 64 ALA N N 125.531 0.05 . 543 . 65 ASN H H 8.142 0.02 . 544 . 65 ASN HA H 4.500 0.02 . 545 . 65 ASN HB2 H 2.626 0.02 . 546 . 65 ASN HB3 H 2.491 0.02 . 547 . 65 ASN CA C 52.884 0.05 . 548 . 65 ASN CB C 39.052 0.05 . 549 . 65 ASN N N 118.650 0.05 . 550 . 65 ASN HD21 H 7.452 0.02 . 551 . 65 ASN HD22 H 6.733 0.02 . 552 . 66 GLY H H 7.703 0.02 . 553 . 66 GLY HA2 H 3.516 0.02 . 554 . 66 GLY HA3 H 3.516 0.02 . 555 . 66 GLY CA C 45.919 0.05 . 556 . 66 GLY N N 116.360 0.05 . stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Tor inhibition protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 HIS H H 8.471 0.02 . 2 . 3 HIS HA H 4.410 0.02 . 3 . 3 HIS HB2 H 2.946 0.02 . 4 . 3 HIS HB3 H 2.859 0.02 . 5 . 3 HIS CB C 29.540 0.05 . 6 . 3 HIS N N 121.938 0.05 . 7 . 4 GLU H H 8.377 0.02 . 8 . 4 GLU HA H 4.012 0.02 . 9 . 4 GLU HB2 H 2.001 0.02 . 10 . 4 GLU HG2 H 1.754 0.02 . 11 . 4 GLU HG3 H 1.754 0.02 . 12 . 4 GLU CA C 56.144 0.05 . 13 . 4 GLU CB C 29.959 0.05 . 14 . 4 GLU N N 123.250 0.05 . 15 . 5 LEU H H 7.908 0.02 . 16 . 5 LEU HA H 3.830 0.02 . 17 . 5 LEU HB2 H 0.960 0.02 . 18 . 5 LEU HB3 H 0.960 0.02 . 19 . 5 LEU HG H 0.433 0.02 . 20 . 5 LEU HD1 H 0.178 0.02 . 21 . 5 LEU HD2 H -0.064 0.02 . 22 . 5 LEU CA C 54.534 0.05 . 23 . 5 LEU CB C 41.867 0.05 . 24 . 5 LEU N N 127.188 0.05 . 25 . 6 GLN H H 8.310 0.02 . 26 . 6 GLN HA H 4.453 0.02 . 27 . 6 GLN HB2 H 1.692 0.02 . 28 . 6 GLN HB3 H 1.692 0.02 . 29 . 6 GLN HG2 H 2.182 0.02 . 30 . 6 GLN HG3 H 2.134 0.02 . 31 . 6 GLN HE21 H 7.321 0.02 . 32 . 6 GLN HE22 H 6.733 0.02 . 33 . 6 GLN CA C 53.047 0.05 . 34 . 6 GLN N N 121.938 0.05 . 35 . 7 PRO HA H 4.212 0.02 . 36 . 7 PRO HB2 H 2.214 0.02 . 37 . 7 PRO HB3 H 1.999 0.02 . 38 . 7 PRO HG2 H 1.890 0.02 . 39 . 7 PRO HG3 H 1.814 0.02 . 40 . 7 PRO HD2 H 3.707 0.02 . 41 . 7 PRO HD3 H 3.649 0.02 . 42 . 7 PRO CB C 32.178 0.05 . 43 . 8 ASP H H 7.809 0.02 . 44 . 8 ASP HA H 4.648 0.02 . 45 . 8 ASP HB2 H 2.552 0.02 . 46 . 8 ASP HB3 H 2.458 0.02 . 47 . 8 ASP CA C 52.731 0.05 . 48 . 8 ASP CB C 39.406 0.05 . 49 . 8 ASP N N 111.438 0.05 . 50 . 9 SER H H 7.889 0.02 . 51 . 9 SER HA H 4.045 0.02 . 52 . 9 SER HB2 H 3.619 0.02 . 53 . 9 SER HB3 H 3.571 0.02 . 54 . 9 SER CA C 60.330 0.05 . 55 . 9 SER CB C 63.253 0.05 . 56 . 9 SER N N 119.312 0.05 . 57 . 10 LEU H H 8.326 0.02 . 58 . 10 LEU HA H 5.011 0.02 . 59 . 10 LEU HB2 H 1.591 0.02 . 60 . 10 LEU HB3 H 1.591 0.02 . 61 . 10 LEU HG H 1.485 0.02 . 62 . 10 LEU CA C 53.300 0.05 . 63 . 10 LEU CB C 43.021 0.05 . 64 . 10 LEU N N 123.906 0.05 . 65 . 11 VAL H H 9.625 0.02 . 66 . 11 VAL HA H 4.601 0.02 . 67 . 11 VAL HB H 1.750 0.02 . 68 . 11 VAL HG1 H 0.598 0.02 . 69 . 11 VAL HG2 H 0.598 0.02 . 70 . 11 VAL CA C 58.302 0.05 . 71 . 11 VAL CB C 34.368 0.05 . 72 . 11 VAL N N 118.656 0.05 . 73 . 12 ASP H H 7.785 0.02 . 74 . 12 ASP HA H 5.280 0.02 . 75 . 12 ASP HB2 H 3.255 0.02 . 76 . 12 ASP HB3 H 3.255 0.02 . 77 . 12 ASP CA C 50.774 0.05 . 78 . 12 ASP CB C 43.060 0.05 . 79 . 12 ASP N N 121.281 0.05 . 80 . 13 LEU H H 8.981 0.02 . 81 . 13 LEU HA H 3.720 0.02 . 82 . 13 LEU HB2 H 1.724 0.02 . 83 . 13 LEU HB3 H 1.724 0.02 . 84 . 13 LEU HG H 1.804 0.02 . 85 . 13 LEU HD1 H 0.880 0.02 . 86 . 13 LEU HD2 H 0.880 0.02 . 87 . 13 LEU CA C 57.725 0.05 . 88 . 13 LEU CB C 41.742 0.05 . 89 . 13 LEU N N 121.938 0.05 . 90 . 14 LYS H H 7.814 0.02 . 91 . 14 LYS HA H 3.719 0.02 . 92 . 14 LYS HB2 H 1.750 0.02 . 93 . 14 LYS HB3 H 1.750 0.02 . 94 . 14 LYS HG2 H 1.689 0.02 . 95 . 14 LYS HG3 H 1.689 0.02 . 96 . 14 LYS HD2 H 1.572 0.02 . 97 . 14 LYS HD3 H 1.572 0.02 . 98 . 14 LYS CA C 59.726 0.05 . 99 . 14 LYS CB C 31.207 0.05 . 100 . 14 LYS N N 117.344 0.05 . 101 . 15 PHE H H 8.089 0.02 . 102 . 15 PHE HA H 3.859 0.02 . 103 . 15 PHE HB2 H 3.252 0.02 . 104 . 15 PHE HB3 H 3.122 0.02 . 105 . 15 PHE HD1 H 6.640 0.02 . 106 . 15 PHE HD2 H 6.640 0.02 . 107 . 15 PHE HE1 H 6.712 0.02 . 108 . 15 PHE HE2 H 6.712 0.02 . 109 . 15 PHE HZ H 6.940 0.02 . 110 . 15 PHE CA C 61.722 0.05 . 111 . 15 PHE CB C 39.021 0.05 . 112 . 15 PHE N N 123.906 0.05 . 113 . 16 ILE H H 7.821 0.02 . 114 . 16 ILE HA H 3.128 0.02 . 115 . 16 ILE HB H 1.481 0.02 . 116 . 16 ILE HG12 H 1.577 0.02 . 117 . 16 ILE HG13 H 1.027 0.02 . 118 . 16 ILE HG2 H 0.771 0.02 . 119 . 16 ILE HD1 H -0.227 0.02 . 120 . 16 ILE CA C 65.931 0.05 . 121 . 16 ILE CB C 37.967 0.05 . 122 . 16 ILE N N 122.594 0.05 . 123 . 17 MET H H 8.630 0.02 . 124 . 17 MET HA H 3.771 0.02 . 125 . 17 MET HB2 H 1.821 0.02 . 126 . 17 MET HB3 H 1.821 0.02 . 127 . 17 MET HG2 H 2.265 0.02 . 128 . 17 MET HG3 H 2.265 0.02 . 129 . 17 MET CA C 59.782 0.05 . 130 . 17 MET N N 121.281 0.05 . 131 . 18 ALA H H 7.874 0.02 . 132 . 18 ALA HA H 3.858 0.02 . 133 . 18 ALA HB H 1.138 0.02 . 134 . 18 ALA CA C 54.446 0.05 . 135 . 18 ALA CB C 17.563 0.05 . 136 . 18 ALA N N 123.906 0.05 . 137 . 19 ASP H H 8.184 0.02 . 138 . 19 ASP HA H 4.107 0.02 . 139 . 19 ASP HB2 H 1.984 0.02 . 140 . 19 ASP HB3 H 1.984 0.02 . 141 . 19 ASP CA C 55.882 0.05 . 142 . 19 ASP CB C 43.158 0.05 . 143 . 19 ASP N N 116.688 0.05 . 144 . 20 THR H H 7.142 0.02 . 145 . 20 THR HA H 3.831 0.02 . 146 . 20 THR HB H 3.773 0.02 . 147 . 20 THR HG2 H 0.951 0.02 . 148 . 20 THR CA C 61.409 0.05 . 149 . 20 THR CB C 70.916 0.05 . 150 . 20 THR N N 103.562 0.05 . 151 . 21 GLY H H 7.912 0.02 . 152 . 21 GLY HA2 H 3.694 0.02 . 153 . 21 GLY HA3 H 3.445 0.02 . 154 . 21 GLY CA C 45.256 0.05 . 155 . 21 GLY N N 112.096 0.05 . 156 . 22 PHE H H 7.633 0.02 . 157 . 22 PHE HA H 4.539 0.02 . 158 . 22 PHE HB2 H 3.024 0.02 . 159 . 22 PHE HB3 H 2.655 0.02 . 160 . 22 PHE HD1 H 6.561 0.02 . 161 . 22 PHE HD2 H 6.561 0.02 . 162 . 22 PHE HE1 H 6.648 0.02 . 163 . 22 PHE HE2 H 6.648 0.02 . 164 . 22 PHE HZ H 6.759 0.02 . 165 . 22 PHE CA C 54.851 0.05 . 166 . 22 PHE CB C 40.622 0.05 . 167 . 22 PHE N N 120.625 0.05 . 168 . 23 GLY H H 8.270 0.02 . 169 . 23 GLY HA2 H 4.130 0.02 . 170 . 23 GLY HA3 H 4.130 0.02 . 171 . 23 GLY CA C 43.574 0.05 . 172 . 23 GLY N N 106.847 0.05 . 173 . 24 LYS H H 8.377 0.02 . 174 . 24 LYS HA H 3.486 0.02 . 175 . 24 LYS HB2 H 1.660 0.02 . 176 . 24 LYS HB3 H 1.660 0.02 . 177 . 24 LYS HG2 H 1.557 0.02 . 178 . 24 LYS HG3 H 1.557 0.02 . 179 . 24 LYS CA C 60.636 0.05 . 180 . 24 LYS CB C 32.425 0.05 . 181 . 24 LYS N N 121.281 0.05 . 182 . 25 THR H H 8.248 0.02 . 183 . 25 THR HA H 3.642 0.02 . 184 . 25 THR HB H 3.958 0.02 . 185 . 25 THR HG2 H 1.050 0.02 . 186 . 25 THR CA C 66.268 0.05 . 187 . 25 THR CB C 67.948 0.05 . 188 . 25 THR N N 114.719 0.05 . 189 . 26 PHE H H 7.551 0.02 . 190 . 26 PHE HA H 4.003 0.02 . 191 . 26 PHE HB2 H 2.924 0.02 . 192 . 26 PHE HB3 H 2.924 0.02 . 193 . 26 PHE HD1 H 6.652 0.02 . 194 . 26 PHE HD2 H 6.652 0.02 . 195 . 26 PHE HE1 H 6.360 0.02 . 196 . 26 PHE HE2 H 6.360 0.02 . 197 . 26 PHE HZ H 6.564 0.02 . 198 . 26 PHE CA C 61.153 0.05 . 199 . 26 PHE CB C 39.093 0.05 . 200 . 26 PHE N N 124.562 0.05 . 201 . 27 ILE H H 7.837 0.02 . 202 . 27 ILE HA H 3.075 0.02 . 203 . 27 ILE HB H 1.641 0.02 . 204 . 27 ILE HG12 H 1.080 0.02 . 205 . 27 ILE HG13 H 1.080 0.02 . 206 . 27 ILE HG2 H 0.101 0.02 . 207 . 27 ILE HD1 H 0.574 0.02 . 208 . 27 ILE CA C 65.027 0.05 . 209 . 27 ILE CB C 36.265 0.05 . 210 . 27 ILE N N 120.625 0.05 . 211 . 28 TYR H H 8.449 0.02 . 212 . 28 TYR HA H 4.013 0.02 . 213 . 28 TYR HB2 H 2.945 0.02 . 214 . 28 TYR HB3 H 2.856 0.02 . 215 . 28 TYR HD1 H 6.992 0.02 . 216 . 28 TYR HD2 H 6.992 0.02 . 217 . 28 TYR HE1 H 6.643 0.02 . 218 . 28 TYR HE2 H 6.643 0.02 . 219 . 28 TYR CA C 61.222 0.05 . 220 . 28 TYR CB C 36.090 0.05 . 221 . 28 TYR N N 119.312 0.05 . 222 . 29 ASP HB3 H 2.270 0.02 . 223 . 29 ASP H H 8.356 0.02 . 224 . 29 ASP HA H 4.235 0.02 . 225 . 29 ASP HB2 H 2.612 0.02 . 226 . 29 ASP CA C 57.270 0.05 . 227 . 29 ASP CB C 39.541 0.05 . 228 . 29 ASP N N 123.906 0.05 . 229 . 30 ARG H H 7.793 0.02 . 230 . 30 ARG HA H 4.152 0.02 . 231 . 30 ARG HB2 H 1.820 0.02 . 232 . 30 ARG HB3 H 1.820 0.02 . 233 . 30 ARG HG2 H 1.495 0.02 . 234 . 30 ARG HG3 H 1.495 0.02 . 235 . 30 ARG HD2 H 2.792 0.02 . 236 . 30 ARG HD3 H 2.792 0.02 . 237 . 30 ARG HE H 6.637 0.02 . 238 . 30 ARG CA C 56.452 0.05 . 239 . 30 ARG CB C 29.640 0.05 . 240 . 30 ARG N N 121.938 0.05 . 241 . 31 ILE H H 7.909 0.02 . 242 . 31 ILE HA H 4.236 0.02 . 243 . 31 ILE HB H 1.307 0.02 . 244 . 31 ILE HG12 H 0.209 0.02 . 245 . 31 ILE HG13 H -0.630 0.02 . 246 . 31 ILE HG2 H -0.037 0.02 . 247 . 31 ILE HD1 H 0.660 0.02 . 248 . 31 ILE CA C 63.884 0.05 . 249 . 31 ILE CB C 38.103 0.05 . 250 . 31 ILE N N 124.562 0.05 . 251 . 32 LYS H H 7.625 0.02 . 252 . 32 LYS HA H 3.807 0.02 . 253 . 32 LYS HB2 H 1.810 0.02 . 254 . 32 LYS HB3 H 1.757 0.02 . 255 . 32 LYS HG2 H 1.362 0.02 . 256 . 32 LYS HG3 H 1.221 0.02 . 257 . 32 LYS HD2 H 1.494 0.02 . 258 . 32 LYS HD3 H 1.494 0.02 . 259 . 32 LYS CA C 59.454 0.05 . 260 . 32 LYS CB C 31.431 0.05 . 261 . 32 LYS N N 123.906 0.05 . 262 . 33 SER H H 7.574 0.02 . 263 . 33 SER HA H 4.127 0.02 . 264 . 33 SER HB2 H 3.770 0.02 . 265 . 33 SER HB3 H 3.597 0.02 . 266 . 33 SER CA C 59.210 0.05 . 267 . 33 SER CB C 63.603 0.05 . 268 . 33 SER N N 112.094 0.05 . 269 . 34 GLY H H 7.439 0.02 . 270 . 34 GLY HA2 H 3.994 0.02 . 271 . 34 GLY HA3 H 3.994 0.02 . 272 . 34 GLY CA C 45.083 0.05 . 273 . 34 GLY N N 110.128 0.05 . 274 . 35 ASP H H 8.040 0.02 . 275 . 35 ASP HA H 4.240 0.02 . 276 . 35 ASP HB2 H 2.604 0.02 . 277 . 35 ASP HB3 H 2.252 0.02 . 278 . 35 ASP CA C 56.025 0.05 . 279 . 35 ASP CB C 51.091 0.05 . 280 . 35 ASP N N 121.281 0.05 . 281 . 36 LEU H H 6.743 0.02 . 282 . 36 LEU HA H 4.439 0.02 . 283 . 36 LEU HB2 H 1.344 0.02 . 284 . 36 LEU HB3 H 1.344 0.02 . 285 . 36 LEU HG H 0.622 0.02 . 286 . 36 LEU HD1 H -0.046 0.02 . 287 . 36 LEU HD2 H -0.046 0.02 . 288 . 36 LEU N N 122.594 0.05 . 289 . 37 PRO HA H 4.193 0.02 . 290 . 37 PRO HB2 H 1.671 0.02 . 291 . 37 PRO HB3 H 1.671 0.02 . 292 . 37 PRO HG2 H 1.923 0.02 . 293 . 37 PRO HG3 H 1.923 0.02 . 294 . 37 PRO HD2 H 3.848 0.02 . 295 . 37 PRO HD3 H 3.848 0.02 . 296 . 37 PRO CB C 32.685 0.05 . 297 . 38 LYS H H 7.843 0.02 . 298 . 38 LYS HA H 3.882 0.02 . 299 . 38 LYS HB2 H 1.533 0.02 . 300 . 38 LYS HB3 H 1.533 0.02 . 301 . 38 LYS HG2 H 1.286 0.02 . 302 . 38 LYS HG3 H 1.286 0.02 . 303 . 38 LYS HD2 H 2.750 0.02 . 304 . 38 LYS HD3 H 1.420 0.02 . 305 . 38 LYS CA C 56.675 0.05 . 306 . 38 LYS CB C 32.518 0.05 . 307 . 38 LYS N N 118.001 0.05 . 308 . 39 ALA H H 8.208 0.02 . 309 . 39 ALA HA H 2.428 0.02 . 310 . 39 ALA HB H 0.144 0.02 . 311 . 39 ALA CA C 52.026 0.05 . 312 . 39 ALA CB C 18.763 0.05 . 313 . 39 ALA N N 126.531 0.05 . 314 . 40 LYS H H 7.949 0.02 . 315 . 40 LYS HA H 4.018 0.02 . 316 . 40 LYS HB2 H 1.308 0.02 . 317 . 40 LYS HB3 H 1.308 0.02 . 318 . 40 LYS HG2 H 1.050 0.02 . 319 . 40 LYS HG3 H 1.050 0.02 . 320 . 40 LYS HD2 H 1.211 0.02 . 321 . 40 LYS HD3 H 1.211 0.02 . 322 . 40 LYS CA C 54.769 0.05 . 323 . 40 LYS CB C 33.229 0.05 . 324 . 40 LYS N N 123.250 0.05 . 325 . 41 VAL H H 8.358 0.02 . 326 . 41 VAL HA H 3.908 0.02 . 327 . 41 VAL HB H 1.592 0.02 . 328 . 41 VAL HG1 H 0.442 0.02 . 329 . 41 VAL HG2 H 0.353 0.02 . 330 . 41 VAL CA C 62.249 0.05 . 331 . 41 VAL CB C 30.231 0.05 . 332 . 41 VAL N N 126.531 0.05 . 333 . 42 ILE H H 8.392 0.02 . 334 . 42 ILE HA H 3.913 0.02 . 335 . 42 ILE HB H 1.302 0.02 . 336 . 42 ILE HG12 H 0.965 0.02 . 337 . 42 ILE HG13 H 0.965 0.02 . 338 . 42 ILE HG2 H 0.440 0.02 . 339 . 42 ILE HD1 H 0.695 0.02 . 340 . 42 ILE CA C 59.334 0.05 . 341 . 42 ILE CB C 39.504 0.05 . 342 . 42 ILE N N 131.125 0.05 . 343 . 43 HIS H H 9.561 0.02 . 344 . 43 HIS HA H 4.734 0.02 . 345 . 43 HIS HB2 H 2.965 0.02 . 346 . 43 HIS HB3 H 2.965 0.02 . 347 . 43 HIS CA C 55.932 0.05 . 348 . 43 HIS CB C 27.190 0.05 . 349 . 43 HIS N N 129.811 0.05 . 350 . 44 GLY H H 8.284 0.02 . 351 . 44 GLY HA2 H 3.884 0.02 . 352 . 44 GLY HA3 H 3.228 0.02 . 353 . 44 GLY CA C 45.266 0.05 . 354 . 44 GLY N N 103.567 0.05 . 355 . 45 ARG H H 7.414 0.02 . 356 . 45 ARG HA H 4.483 0.02 . 357 . 45 ARG HB2 H 1.584 0.02 . 358 . 45 ARG HB3 H 1.584 0.02 . 359 . 45 ARG HG2 H 1.424 0.02 . 360 . 45 ARG HG3 H 1.424 0.02 . 361 . 45 ARG HD2 H 3.229 0.02 . 362 . 45 ARG HD3 H 3.229 0.02 . 363 . 45 ARG CA C 53.953 0.05 . 364 . 45 ARG CB C 31.994 0.05 . 365 . 45 ARG N N 121.281 0.05 . 366 . 46 ALA H H 8.527 0.02 . 367 . 46 ALA HA H 3.952 0.02 . 368 . 46 ALA HB H 0.862 0.02 . 369 . 46 ALA CA C 52.040 0.05 . 370 . 46 ALA CB C 18.333 0.05 . 371 . 46 ALA N N 127.844 0.05 . 372 . 47 ARG H H 8.530 0.02 . 373 . 47 ARG HA H 4.975 0.02 . 374 . 47 ARG HB2 H 1.328 0.02 . 375 . 47 ARG HB3 H 1.328 0.02 . 376 . 47 ARG HG2 H 1.525 0.02 . 377 . 47 ARG HG3 H 1.525 0.02 . 378 . 47 ARG CA C 53.146 0.05 . 379 . 47 ARG CB C 35.631 0.05 . 380 . 47 ARG N N 125.219 0.05 . 381 . 48 TRP H H 9.057 0.02 . 382 . 48 TRP HA H 4.494 0.02 . 383 . 48 TRP HB2 H 2.601 0.02 . 384 . 48 TRP HB3 H 3.054 0.02 . 385 . 48 TRP HD1 H 6.702 0.02 . 386 . 48 TRP HE1 H 9.455 0.02 . 387 . 48 TRP CA C 57.823 0.05 . 388 . 48 TRP CB C 33.154 0.05 . 389 . 48 TRP N N 122.594 0.05 . 390 . 49 LEU H H 9.824 0.02 . 391 . 49 LEU HA H 4.592 0.02 . 392 . 49 LEU HB2 H 1.736 0.02 . 393 . 49 LEU HB3 H 1.535 0.02 . 394 . 49 LEU HG H 1.460 0.02 . 395 . 49 LEU HD1 H 0.760 0.02 . 396 . 49 LEU HD2 H 0.677 0.02 . 397 . 49 LEU CA C 54.528 0.05 . 398 . 49 LEU CB C 42.105 0.05 . 399 . 49 LEU N N 123.250 0.05 . 400 . 50 TYR H H 9.555 0.02 . 401 . 50 TYR HA H 4.088 0.02 . 402 . 50 TYR HB2 H 3.195 0.02 . 403 . 50 TYR HB3 H 3.195 0.02 . 404 . 50 TYR HD1 H 6.570 0.02 . 405 . 50 TYR HD2 H 6.570 0.02 . 406 . 50 TYR HE1 H 6.942 0.02 . 407 . 50 TYR HE2 H 6.942 0.02 . 408 . 50 TYR CA C 61.577 0.05 . 409 . 50 TYR CB C 36.571 0.05 . 410 . 50 TYR N N 127.843 0.05 . 411 . 51 ARG H H 9.402 0.02 . 412 . 51 ARG HA H 3.831 0.02 . 413 . 51 ARG HB2 H 1.813 0.02 . 414 . 51 ARG HB3 H 1.522 0.02 . 415 . 51 ARG HG2 H 1.450 0.02 . 416 . 51 ARG HG3 H 1.395 0.02 . 417 . 51 ARG HD2 H 2.973 0.02 . 418 . 51 ARG HD3 H 2.920 0.02 . 419 . 51 ARG HE H 7.125 0.02 . 420 . 51 ARG CA C 59.121 0.05 . 421 . 51 ARG CB C 29.399 0.05 . 422 . 51 ARG N N 118.656 0.05 . 423 . 52 ASP H H 6.886 0.02 . 424 . 52 ASP HA H 4.374 0.02 . 425 . 52 ASP HB2 H 2.939 0.02 . 426 . 52 ASP HB3 H 2.294 0.02 . 427 . 52 ASP CB C 39.841 0.05 . 428 . 52 ASP N N 120.625 0.05 . 429 . 53 HIS H H 7.897 0.02 . 430 . 53 HIS HA H 4.167 0.02 . 431 . 53 HIS HB2 H 3.242 0.02 . 432 . 53 HIS HB3 H 3.242 0.02 . 433 . 53 HIS HD2 H 6.795 0.02 . 434 . 53 HIS HE1 H 7.363 0.02 . 435 . 53 HIS CA C 60.375 0.05 . 436 . 53 HIS CB C 31.108 0.05 . 437 . 53 HIS N N 125.218 0.05 . 438 . 54 CYS H H 8.288 0.02 . 439 . 54 CYS HA H 3.371 0.02 . 440 . 54 CYS HB2 H 2.599 0.02 . 441 . 54 CYS HB3 H 2.599 0.02 . 442 . 54 CYS CA C 59.081 0.05 . 443 . 54 CYS N N 117.344 0.05 . 444 . 55 GLU H H 7.439 0.02 . 445 . 55 GLU HA H 3.880 0.02 . 446 . 55 GLU HB2 H 1.934 0.02 . 447 . 55 GLU HB3 H 1.934 0.02 . 448 . 55 GLU HG2 H 2.197 0.02 . 449 . 55 GLU HG3 H 2.146 0.02 . 450 . 55 GLU CA C 59.081 0.05 . 451 . 55 GLU CB C 28.465 0.05 . 452 . 55 GLU N N 121.281 0.05 . 453 . 56 PHE H H 7.729 0.02 . 454 . 56 PHE HA H 4.300 0.02 . 455 . 56 PHE HB2 H 3.192 0.02 . 456 . 56 PHE HB3 H 3.192 0.02 . 457 . 56 PHE HD1 H 7.009 0.02 . 458 . 56 PHE HD2 H 7.009 0.02 . 459 . 56 PHE HE1 H 6.760 0.02 . 460 . 56 PHE HE2 H 6.760 0.02 . 461 . 56 PHE HZ H 6.693 0.02 . 462 . 56 PHE N N 123.906 0.05 . 463 . 57 LYS H H 8.102 0.02 . 464 . 57 LYS HA H 3.039 0.02 . 465 . 57 LYS HB2 H 1.255 0.02 . 466 . 57 LYS HB3 H 1.255 0.02 . 467 . 57 LYS HG2 H 0.818 0.02 . 468 . 57 LYS HG3 H 0.818 0.02 . 469 . 57 LYS HD2 H 1.139 0.02 . 470 . 57 LYS HD3 H 1.139 0.02 . 471 . 57 LYS HE2 H 2.608 0.02 . 472 . 57 LYS HE3 H 2.608 0.02 . 473 . 57 LYS CA C 59.827 0.05 . 474 . 57 LYS CB C 31.564 0.05 . 475 . 57 LYS N N 120.625 0.05 . 476 . 58 ASN H H 7.685 0.02 . 477 . 58 ASN HA H 4.152 0.02 . 478 . 58 ASN HB2 H 2.605 0.02 . 479 . 58 ASN HB3 H 2.545 0.02 . 480 . 58 ASN HD21 H 7.390 0.02 . 481 . 58 ASN HD22 H 6.649 0.02 . 482 . 58 ASN CA C 55.622 0.05 . 483 . 58 ASN CB C 37.779 0.05 . 484 . 58 ASN N N 118.001 0.05 . 485 . 59 LYS H H 7.978 0.02 . 486 . 59 LYS HA H 3.808 0.02 . 487 . 59 LYS HB2 H 1.863 0.02 . 488 . 59 LYS HB3 H 1.863 0.02 . 489 . 59 LYS HG2 H 1.414 0.02 . 490 . 59 LYS HG3 H 1.414 0.02 . 491 . 59 LYS HD2 H 1.644 0.02 . 492 . 59 LYS HD3 H 1.644 0.02 . 493 . 59 LYS HE2 H 3.038 0.02 . 494 . 59 LYS HE3 H 3.038 0.02 . 495 . 59 LYS HZ H 7.009 0.02 . 496 . 59 LYS CA C 59.011 0.05 . 497 . 59 LYS CB C 32.192 0.05 . 498 . 59 LYS N N 123.250 0.05 . 499 . 60 LEU H H 7.474 0.02 . 500 . 60 LEU HA H 3.805 0.02 . 501 . 60 LEU HB2 H 1.412 0.02 . 502 . 60 LEU HB3 H 1.412 0.02 . 503 . 60 LEU HG H 1.286 0.02 . 504 . 60 LEU HD1 H 0.491 0.02 . 505 . 60 LEU HD2 H 0.373 0.02 . 506 . 60 LEU CA C 56.413 0.05 . 507 . 60 LEU N N 120.625 0.05 . 508 . 61 LEU H H 7.687 0.02 . 509 . 61 LEU HA H 4.010 0.02 . 510 . 61 LEU HB2 H 1.534 0.02 . 511 . 61 LEU HB3 H 1.468 0.02 . 512 . 61 LEU HG H 1.356 0.02 . 513 . 61 LEU HD1 H 0.613 0.02 . 514 . 61 LEU HD2 H 0.613 0.02 . 515 . 61 LEU CA C 56.222 0.05 . 516 . 61 LEU CB C 41.580 0.05 . 517 . 61 LEU N N 121.281 0.05 . 518 . 62 SER H H 7.671 0.02 . 519 . 62 SER HA H 4.096 0.02 . 520 . 62 SER HB2 H 3.703 0.02 . 521 . 62 SER HB3 H 3.703 0.02 . 522 . 62 SER CA C 59.425 0.05 . 523 . 62 SER CB C 63.070 0.05 . 524 . 62 SER N N 114.719 0.05 . 525 . 63 ARG H H 7.638 0.02 . 526 . 63 ARG HA H 4.106 0.02 . 527 . 63 ARG HB2 H 1.675 0.02 . 528 . 63 ARG HB3 H 1.553 0.02 . 529 . 63 ARG HG2 H 1.467 0.02 . 530 . 63 ARG HG3 H 1.417 0.02 . 531 . 63 ARG HD2 H 2.950 0.02 . 532 . 63 ARG HD3 H 2.878 0.02 . 533 . 63 ARG HE H 7.041 0.02 . 534 . 63 ARG CA C 55.966 0.05 . 535 . 63 ARG CB C 30.171 0.05 . 536 . 63 ARG N N 123.250 0.05 . 537 . 64 ALA H H 7.850 0.02 . 538 . 64 ALA HA H 4.018 0.02 . 539 . 64 ALA HB H 1.171 0.02 . 540 . 64 ALA CA C 52.766 0.05 . 541 . 64 ALA CB C 18.780 0.05 . 542 . 64 ALA N N 126.531 0.05 . 543 . 65 ASN H H 8.142 0.02 . 544 . 65 ASN HA H 4.500 0.02 . 545 . 65 ASN HB2 H 2.626 0.02 . 546 . 65 ASN HB3 H 2.491 0.02 . 547 . 65 ASN CA C 52.884 0.05 . 548 . 65 ASN CB C 39.052 0.05 . 549 . 65 ASN N N 117.344 0.05 . 550 . 65 ASN HD21 H 7.452 0.02 . 551 . 65 ASN HD22 H 6.733 0.02 . 552 . 66 GLY H H 7.703 0.02 . 553 . 66 GLY HA2 H 3.516 0.02 . 554 . 66 GLY HA3 H 3.516 0.02 . 555 . 66 GLY CA C 45.919 0.05 . 556 . 66 GLY N N 116.602 0.05 . stop_ save_