data_36048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252 ; _BMRB_accession_number 36048 _BMRB_flat_file_name bmr36048.str _Entry_type original _Submission_date 2017-01-27 _Accession_date 2017-03-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wahab A. . . 2 Durreshahwar S. . . 3 Schwalbe H. . . 4 Richter C. . . 5 Choudhary M. I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 586 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-24 original BMRB . stop_ _Original_release_date 2017-03-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252 ; _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 Wahab A. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Mutator mutT protein (E.C.3.6.1.55)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14914.342 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MKKVINVVGAIIFSDNKILC AQRSEKMSLPLMWEFPGGKV EKNETEKDALIREIREEMKC DLIVGDKVITTEHEYDFGIV RLTTYKCTLNKELPTLTEHK SIEWLSINELDKLNWAPADI PAVNKIMTEG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 LYS 4 4 VAL 5 5 ILE 6 6 ASN 7 7 VAL 8 8 VAL 9 9 GLY 10 10 ALA 11 11 ILE 12 12 ILE 13 13 PHE 14 14 SER 15 15 ASP 16 16 ASN 17 17 LYS 18 18 ILE 19 19 LEU 20 20 CYS 21 21 ALA 22 22 GLN 23 23 ARG 24 24 SER 25 25 GLU 26 26 LYS 27 27 MET 28 28 SER 29 29 LEU 30 30 PRO 31 31 LEU 32 32 MET 33 33 TRP 34 34 GLU 35 35 PHE 36 36 PRO 37 37 GLY 38 38 GLY 39 39 LYS 40 40 VAL 41 41 GLU 42 42 LYS 43 43 ASN 44 44 GLU 45 45 THR 46 46 GLU 47 47 LYS 48 48 ASP 49 49 ALA 50 50 LEU 51 51 ILE 52 52 ARG 53 53 GLU 54 54 ILE 55 55 ARG 56 56 GLU 57 57 GLU 58 58 MET 59 59 LYS 60 60 CYS 61 61 ASP 62 62 LEU 63 63 ILE 64 64 VAL 65 65 GLY 66 66 ASP 67 67 LYS 68 68 VAL 69 69 ILE 70 70 THR 71 71 THR 72 72 GLU 73 73 HIS 74 74 GLU 75 75 TYR 76 76 ASP 77 77 PHE 78 78 GLY 79 79 ILE 80 80 VAL 81 81 ARG 82 82 LEU 83 83 THR 84 84 THR 85 85 TYR 86 86 LYS 87 87 CYS 88 88 THR 89 89 LEU 90 90 ASN 91 91 LYS 92 92 GLU 93 93 LEU 94 94 PRO 95 95 THR 96 96 LEU 97 97 THR 98 98 GLU 99 99 HIS 100 100 LYS 101 101 SER 102 102 ILE 103 103 GLU 104 104 TRP 105 105 LEU 106 106 SER 107 107 ILE 108 108 ASN 109 109 GLU 110 110 LEU 111 111 ASP 112 112 LYS 113 113 LEU 114 114 ASN 115 115 TRP 116 116 ALA 117 117 PRO 118 118 ALA 119 119 ASP 120 120 ILE 121 121 PRO 122 122 ALA 123 123 VAL 124 124 ASN 125 125 LYS 126 126 ILE 127 127 MET 128 128 THR 129 129 GLU 130 130 GLY 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 _Variant _Cell_type _ATCC_number _Gene_mnemonic $entity_1 'Staphylococcus aureus' 548470 Bacteria . Staphylococcus 'Staphylococcus aureus' MRSA252 Bacterial NCTC13277 HMPREF0769_10658 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 $entity_1 'recombinant technology' . . . BL21(DE3) 'bacterial plasmid' pSpeedET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] DNA Mismatch Repair Protein MutT from Nudix Hydrolase Family, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version 'SPARKY 3' loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version '3.5 pl5' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version '3.6 pl5' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 800 _Details 'Equipped with cryogenically cooled probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'Equipped with cryogenically cooled probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _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 pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNHA' '3D (H)CC(CO)NH' '3D CC(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 1 MET HA H 4.459 0.02 . 2 1 1 MET HB2 H 2.064 0.02 . 3 1 1 MET HB3 H 2.008 0.02 . 4 1 1 MET HG2 H 2.547 0.02 . 5 1 1 MET HG3 H 2.561 0.02 . 6 1 1 MET HE H 1.866 0.02 . 7 1 1 MET C C 176.277 0.05 . 8 1 1 MET CA C 55.545 0.05 . 9 1 1 MET CB C 33.123 0.05 . 10 1 1 MET CG C 31.998 0.05 . 11 1 1 MET CE C 17.846 0.05 . 12 2 2 LYS H H 8.318 0.02 . 13 2 2 LYS HA H 4.296 0.02 . 14 2 2 LYS HB2 H 1.695 0.02 . 15 2 2 LYS HB3 H 1.695 0.02 . 16 2 2 LYS HG2 H 1.424 0.02 . 17 2 2 LYS HG3 H 1.479 0.02 . 18 2 2 LYS HD2 H 1.484 0.02 . 19 2 2 LYS HD3 H 1.484 0.02 . 20 2 2 LYS HE2 H 2.941 0.02 . 21 2 2 LYS HE3 H 3.012 0.02 . 22 2 2 LYS C C 175.910 0.05 . 23 2 2 LYS CA C 56.252 0.05 . 24 2 2 LYS CB C 33.833 0.05 . 25 2 2 LYS CG C 25.450 0.05 . 26 2 2 LYS CD C 29.360 0.05 . 27 2 2 LYS CE C 42.090 0.05 . 28 2 2 LYS N N 123.264 0.05 . 29 3 3 LYS H H 8.492 0.02 . 30 3 3 LYS HA H 4.294 0.02 . 31 3 3 LYS HB2 H 1.853 0.02 . 32 3 3 LYS HB3 H 1.853 0.02 . 33 3 3 LYS HG2 H 1.498 0.02 . 34 3 3 LYS HG3 H 1.498 0.02 . 35 3 3 LYS HD2 H 1.684 0.02 . 36 3 3 LYS HD3 H 1.684 0.02 . 37 3 3 LYS HE2 H 2.997 0.02 . 38 3 3 LYS HE3 H 3.053 0.02 . 39 3 3 LYS C C 175.072 0.05 . 40 3 3 LYS CA C 56.232 0.05 . 41 3 3 LYS CB C 33.420 0.05 . 42 3 3 LYS CG C 24.670 0.05 . 43 3 3 LYS CD C 29.030 0.05 . 44 3 3 LYS CE C 42.035 0.05 . 45 3 3 LYS N N 123.991 0.05 . 46 4 4 VAL H H 8.237 0.02 . 47 4 4 VAL HA H 4.728 0.02 . 48 4 4 VAL HB H 1.890 0.02 . 49 4 4 VAL HG1 H 0.887 0.02 . 50 4 4 VAL HG2 H 0.770 0.02 . 51 4 4 VAL C C 176.138 0.05 . 52 4 4 VAL CA C 61.531 0.05 . 53 4 4 VAL CB C 33.362 0.05 . 54 4 4 VAL CG1 C 21.367 0.05 . 55 4 4 VAL CG2 C 21.373 0.05 . 56 4 4 VAL N N 122.612 0.05 . 57 5 5 ILE H H 9.436 0.02 . 58 5 5 ILE HA H 4.253 0.02 . 59 5 5 ILE HB H 1.942 0.02 . 60 5 5 ILE HG12 H 1.104 0.02 . 61 5 5 ILE HG13 H 1.597 0.02 . 62 5 5 ILE HG2 H 0.949 0.02 . 63 5 5 ILE HD1 H 0.961 0.02 . 64 5 5 ILE C C 173.991 0.05 . 65 5 5 ILE CA C 60.741 0.05 . 66 5 5 ILE CB C 39.921 0.05 . 67 5 5 ILE CG1 C 27.428 0.05 . 68 5 5 ILE CG2 C 17.913 0.05 . 69 5 5 ILE CD1 C 14.245 0.05 . 70 5 5 ILE N N 130.241 0.05 . 71 6 6 ASN H H 8.737 0.02 . 72 6 6 ASN HA H 5.526 0.02 . 73 6 6 ASN HB2 H 2.825 0.02 . 74 6 6 ASN HB3 H 2.825 0.02 . 75 6 6 ASN HD21 H 7.213 0.02 . 76 6 6 ASN HD22 H 7.663 0.02 . 77 6 6 ASN C C 174.561 0.05 . 78 6 6 ASN CA C 53.155 0.05 . 79 6 6 ASN CB C 39.870 0.05 . 80 6 6 ASN N N 127.410 0.05 . 81 6 6 ASN ND2 N 112.750 0.05 . 82 7 7 VAL H H 9.560 0.02 . 83 7 7 VAL HA H 4.931 0.02 . 84 7 7 VAL HB H 1.960 0.02 . 85 7 7 VAL HG1 H 0.966 0.02 . 86 7 7 VAL HG2 H 0.889 0.02 . 87 7 7 VAL C C 174.322 0.05 . 88 7 7 VAL CA C 60.547 0.05 . 89 7 7 VAL CB C 36.230 0.05 . 90 7 7 VAL CG1 C 22.030 0.05 . 91 7 7 VAL CG2 C 22.030 0.05 . 92 7 7 VAL N N 124.252 0.05 . 93 8 8 VAL H H 9.002 0.02 . 94 8 8 VAL HA H 5.921 0.02 . 95 8 8 VAL HB H 2.016 0.02 . 96 8 8 VAL HG1 H 0.966 0.02 . 97 8 8 VAL HG2 H 1.089 0.02 . 98 8 8 VAL C C 175.396 0.05 . 99 8 8 VAL CA C 57.965 0.05 . 100 8 8 VAL CB C 36.393 0.05 . 101 8 8 VAL CG1 C 19.620 0.05 . 102 8 8 VAL CG2 C 20.800 0.05 . 103 8 8 VAL N N 119.480 0.05 . 104 9 9 GLY H H 8.861 0.02 . 105 9 9 GLY HA2 H 3.265 0.02 . 106 9 9 GLY HA3 H 4.799 0.02 . 107 9 9 GLY C C 170.285 0.05 . 108 9 9 GLY CA C 43.970 0.05 . 109 9 9 GLY N N 109.863 0.05 . 110 10 10 ALA H H 8.858 0.02 . 111 10 10 ALA HA H 4.834 0.02 . 112 10 10 ALA HB H 1.333 0.02 . 113 10 10 ALA C C 174.868 0.05 . 114 10 10 ALA CA C 50.276 0.05 . 115 10 10 ALA CB C 21.369 0.05 . 116 10 10 ALA N N 124.544 0.05 . 117 11 11 ILE H H 8.890 0.02 . 118 11 11 ILE HA H 3.871 0.02 . 119 11 11 ILE HB H 1.658 0.02 . 120 11 11 ILE HG12 H 0.771 0.02 . 121 11 11 ILE HG13 H 0.725 0.02 . 122 11 11 ILE HG2 H 0.412 0.02 . 123 11 11 ILE HD1 H 0.283 0.02 . 124 11 11 ILE C C 173.957 0.05 . 125 11 11 ILE CA C 61.545 0.05 . 126 11 11 ILE CB C 36.437 0.05 . 127 11 11 ILE CG1 C 25.071 0.05 . 128 11 11 ILE CG2 C 18.078 0.05 . 129 11 11 ILE CD1 C 14.180 0.05 . 130 11 11 ILE N N 125.928 0.05 . 131 12 12 ILE H H 10.366 0.02 . 132 12 12 ILE HA H 4.076 0.02 . 133 12 12 ILE HB H 1.955 0.02 . 134 12 12 ILE HG12 H 1.634 0.02 . 135 12 12 ILE HG13 H 1.634 0.02 . 136 12 12 ILE HG2 H 0.926 0.02 . 137 12 12 ILE HD1 H 0.861 0.02 . 138 12 12 ILE C C 174.322 0.05 . 139 12 12 ILE CA C 62.085 0.05 . 140 12 12 ILE CB C 38.496 0.05 . 141 12 12 ILE CG1 C 28.350 0.05 . 142 12 12 ILE CG2 C 18.792 0.05 . 143 12 12 ILE CD1 C 15.044 0.05 . 144 12 12 ILE N N 129.319 0.05 . 145 13 13 PHE H H 8.773 0.02 . 146 13 13 PHE HA H 5.543 0.02 . 147 13 13 PHE HB2 H 3.196 0.02 . 148 13 13 PHE HB3 H 3.063 0.02 . 149 13 13 PHE HD1 H 7.555 0.02 . 150 13 13 PHE HD2 H 7.555 0.02 . 151 13 13 PHE HE1 H 7.170 0.02 . 152 13 13 PHE HE2 H 7.170 0.02 . 153 13 13 PHE HZ H 6.462 0.02 . 154 13 13 PHE C C 177.725 0.05 . 155 13 13 PHE CA C 56.646 0.05 . 156 13 13 PHE CB C 41.830 0.05 . 157 13 13 PHE CD1 C 132.491 0.05 . 158 13 13 PHE CE1 C 131.329 0.05 . 159 13 13 PHE CZ C 129.594 0.05 . 160 13 13 PHE N N 125.578 0.05 . 161 14 14 SER H H 9.247 0.02 . 162 14 14 SER HA H 4.480 0.02 . 163 14 14 SER HB2 H 3.451 0.02 . 164 14 14 SER HB3 H 3.086 0.02 . 165 14 14 SER C C 175.322 0.05 . 166 14 14 SER CA C 57.813 0.05 . 167 14 14 SER CB C 64.275 0.05 . 168 14 14 SER N N 115.589 0.05 . 169 15 15 ASP H H 9.338 0.02 . 170 15 15 ASP HA H 4.219 0.02 . 171 15 15 ASP HB2 H 2.529 0.02 . 172 15 15 ASP HB3 H 2.887 0.02 . 173 15 15 ASP C C 174.835 0.05 . 174 15 15 ASP CA C 56.215 0.05 . 175 15 15 ASP CB C 39.778 0.05 . 176 15 15 ASP N N 129.356 0.05 . 177 16 16 ASN H H 8.698 0.02 . 178 16 16 ASN HA H 4.628 0.02 . 179 16 16 ASN HB2 H 3.072 0.02 . 180 16 16 ASN HB3 H 3.072 0.02 . 181 16 16 ASN HD21 H 7.473 0.02 . 182 16 16 ASN HD22 H 7.476 0.02 . 183 16 16 ASN C C 173.694 0.05 . 184 16 16 ASN CA C 54.330 0.05 . 185 16 16 ASN CB C 38.224 0.05 . 186 16 16 ASN N N 113.319 0.05 . 187 16 16 ASN ND2 N 112.520 0.05 . 188 17 17 LYS H H 8.059 0.02 . 189 17 17 LYS HA H 4.981 0.02 . 190 17 17 LYS HB2 H 2.057 0.02 . 191 17 17 LYS HB3 H 1.723 0.02 . 192 17 17 LYS HG2 H 1.269 0.02 . 193 17 17 LYS HG3 H 1.533 0.02 . 194 17 17 LYS HD2 H 1.529 0.02 . 195 17 17 LYS HD3 H 1.591 0.02 . 196 17 17 LYS HE2 H 2.967 0.02 . 197 17 17 LYS HE3 H 2.907 0.02 . 198 17 17 LYS C C 174.370 0.05 . 199 17 17 LYS CA C 54.775 0.05 . 200 17 17 LYS CB C 36.915 0.05 . 201 17 17 LYS CG C 25.487 0.05 . 202 17 17 LYS CD C 29.229 0.05 . 203 17 17 LYS CE C 42.068 0.05 . 204 17 17 LYS N N 118.633 0.05 . 205 18 18 ILE H H 9.104 0.02 . 206 18 18 ILE HA H 5.282 0.02 . 207 18 18 ILE HB H 1.552 0.02 . 208 18 18 ILE HG12 H 0.359 0.02 . 209 18 18 ILE HG13 H 0.904 0.02 . 210 18 18 ILE HG2 H 0.791 0.02 . 211 18 18 ILE HD1 H 0.290 0.02 . 212 18 18 ILE C C 176.031 0.05 . 213 18 18 ILE CA C 58.376 0.05 . 214 18 18 ILE CB C 41.460 0.05 . 215 18 18 ILE CG1 C 27.982 0.05 . 216 18 18 ILE CG2 C 18.960 0.05 . 217 18 18 ILE CD1 C 13.878 0.05 . 218 18 18 ILE N N 120.255 0.05 . 219 19 19 LEU H H 7.672 0.02 . 220 19 19 LEU HA H 3.448 0.02 . 221 19 19 LEU HB2 H 1.548 0.02 . 222 19 19 LEU HB3 H 0.073 0.02 . 223 19 19 LEU HG H 0.660 0.02 . 224 19 19 LEU HD1 H 0.151 0.02 . 225 19 19 LEU HD2 H 0.417 0.02 . 226 19 19 LEU C C 175.245 0.05 . 227 19 19 LEU CA C 56.842 0.05 . 228 19 19 LEU CB C 39.614 0.05 . 229 19 19 LEU CG C 27.529 0.05 . 230 19 19 LEU CD1 C 25.599 0.05 . 231 19 19 LEU CD2 C 24.804 0.05 . 232 19 19 LEU N N 129.319 0.05 . 233 20 20 CYS H H 8.951 0.02 . 234 20 20 CYS HA H 4.678 0.02 . 235 20 20 CYS HB2 H 2.709 0.02 . 236 20 20 CYS HB3 H 2.057 0.02 . 237 20 20 CYS C C 172.971 0.05 . 238 20 20 CYS CA C 57.243 0.05 . 239 20 20 CYS CB C 30.616 0.05 . 240 20 20 CYS N N 127.170 0.05 . 241 21 21 ALA H H 8.498 0.02 . 242 21 21 ALA HA H 5.134 0.02 . 243 21 21 ALA HB H 0.584 0.02 . 244 21 21 ALA C C 174.326 0.05 . 245 21 21 ALA CA C 50.337 0.05 . 246 21 21 ALA CB C 21.168 0.05 . 247 21 21 ALA N N 126.386 0.05 . 248 22 22 GLN H H 8.438 0.02 . 249 22 22 GLN HA H 3.477 0.02 . 250 22 22 GLN HB2 H -1.514 0.02 . 251 22 22 GLN HB3 H 1.006 0.02 . 252 22 22 GLN HG2 H 0.230 0.02 . 253 22 22 GLN HG3 H 1.610 0.02 . 254 22 22 GLN HE21 H 6.765 0.02 . 255 22 22 GLN HE22 H 7.008 0.02 . 256 22 22 GLN C C 175.846 0.05 . 257 22 22 GLN CA C 54.390 0.05 . 258 22 22 GLN CB C 28.012 0.05 . 259 22 22 GLN CG C 32.564 0.05 . 260 22 22 GLN N N 124.571 0.05 . 261 22 22 GLN NE2 N 109.708 0.05 . 262 23 23 ARG H H 8.970 0.02 . 263 23 23 ARG HA H 3.784 0.02 . 264 23 23 ARG HB2 H 1.863 0.02 . 265 23 23 ARG HB3 H 1.863 0.02 . 266 23 23 ARG HG2 H 1.603 0.02 . 267 23 23 ARG HG3 H 1.525 0.02 . 268 23 23 ARG HD2 H 3.037 0.02 . 269 23 23 ARG HD3 H 2.955 0.02 . 270 23 23 ARG C C 176.585 0.05 . 271 23 23 ARG CA C 57.958 0.05 . 272 23 23 ARG CB C 30.440 0.05 . 273 23 23 ARG CG C 29.290 0.05 . 274 23 23 ARG CD C 42.302 0.05 . 275 23 23 ARG N N 129.535 0.05 . 276 24 24 SER H H 7.686 0.02 . 277 24 24 SER HA H 4.226 0.02 . 278 24 24 SER HB2 H 4.266 0.02 . 279 24 24 SER HB3 H 3.915 0.02 . 280 24 24 SER C C 173.942 0.05 . 281 24 24 SER CA C 57.445 0.05 . 282 24 24 SER CB C 65.195 0.05 . 283 24 24 SER N N 117.993 0.05 . 284 25 25 GLU H H 9.826 0.02 . 285 25 25 GLU HA H 4.010 0.02 . 286 25 25 GLU HB2 H 2.024 0.02 . 287 25 25 GLU HB3 H 2.024 0.02 . 288 25 25 GLU HG2 H 2.422 0.02 . 289 25 25 GLU HG3 H 2.251 0.02 . 290 25 25 GLU C C 176.931 0.05 . 291 25 25 GLU CA C 59.256 0.05 . 292 25 25 GLU CB C 28.897 0.05 . 293 25 25 GLU CG C 36.940 0.05 . 294 25 25 GLU N N 116.549 0.05 . 295 26 26 LYS H H 7.804 0.02 . 296 26 26 LYS HA H 4.295 0.02 . 297 26 26 LYS HB2 H 1.535 0.02 . 298 26 26 LYS HB3 H 1.535 0.02 . 299 26 26 LYS HG2 H 1.362 0.02 . 300 26 26 LYS HG3 H 1.362 0.02 . 301 26 26 LYS HD2 H 1.636 0.02 . 302 26 26 LYS HD3 H 1.636 0.02 . 303 26 26 LYS HE2 H 2.805 0.02 . 304 26 26 LYS HE3 H 2.805 0.02 . 305 26 26 LYS C C 176.290 0.05 . 306 26 26 LYS CA C 55.645 0.05 . 307 26 26 LYS CB C 32.753 0.05 . 308 26 26 LYS CG C 24.669 0.05 . 309 26 26 LYS CD C 28.715 0.05 . 310 26 26 LYS CE C 42.119 0.05 . 311 26 26 LYS N N 115.947 0.05 . 312 27 27 MET H H 6.970 0.02 . 313 27 27 MET HA H 4.278 0.02 . 314 27 27 MET HB2 H 1.765 0.02 . 315 27 27 MET HB3 H 2.290 0.02 . 316 27 27 MET HG2 H 2.469 0.02 . 317 27 27 MET HG3 H 2.349 0.02 . 318 27 27 MET HE H 2.111 0.02 . 319 27 27 MET C C 176.505 0.05 . 320 27 27 MET CA C 54.970 0.05 . 321 27 27 MET CB C 35.020 0.05 . 322 27 27 MET CG C 32.502 0.05 . 323 27 27 MET CE C 16.135 0.05 . 324 27 27 MET N N 120.385 0.05 . 325 28 28 SER H H 7.995 0.02 . 326 28 28 SER HA H 4.134 0.02 . 327 28 28 SER HB2 H 3.506 0.02 . 328 28 28 SER HB3 H 3.573 0.02 . 329 28 28 SER C C 173.909 0.05 . 330 28 28 SER CA C 58.246 0.05 . 331 28 28 SER CB C 63.298 0.05 . 332 28 28 SER N N 113.781 0.05 . 333 29 29 LEU H H 9.246 0.02 . 334 29 29 LEU HA H 3.984 0.02 . 335 29 29 LEU HB2 H 1.452 0.02 . 336 29 29 LEU HB3 H 1.815 0.02 . 337 29 29 LEU HG H 1.453 0.02 . 338 29 29 LEU HD1 H 0.933 0.02 . 339 29 29 LEU HD2 H 0.933 0.02 . 340 29 29 LEU CA C 54.897 0.05 . 341 29 29 LEU CB C 39.404 0.05 . 342 29 29 LEU CG C 26.640 0.05 . 343 29 29 LEU CD1 C 23.378 0.05 . 344 29 29 LEU N N 117.930 0.05 . 345 30 30 PRO HA H 3.868 0.02 . 346 30 30 PRO HB2 H 2.399 0.02 . 347 30 30 PRO HB3 H 1.701 0.02 . 348 30 30 PRO HG2 H 1.973 0.02 . 349 30 30 PRO HG3 H 2.063 0.02 . 350 30 30 PRO HD2 H 3.602 0.02 . 351 30 30 PRO HD3 H 3.718 0.02 . 352 30 30 PRO C C 178.877 0.05 . 353 30 30 PRO CA C 63.202 0.05 . 354 30 30 PRO CB C 32.480 0.05 . 355 30 30 PRO CG C 27.540 0.05 . 356 30 30 PRO CD C 50.770 0.05 . 357 31 31 LEU H H 6.520 0.02 . 358 31 31 LEU HA H 3.871 0.02 . 359 31 31 LEU HB2 H 1.450 0.02 . 360 31 31 LEU HB3 H 2.154 0.02 . 361 31 31 LEU HG H 1.305 0.02 . 362 31 31 LEU HD1 H 0.752 0.02 . 363 31 31 LEU HD2 H 0.752 0.02 . 364 31 31 LEU C C 176.733 0.05 . 365 31 31 LEU CA C 56.606 0.05 . 366 31 31 LEU CB C 38.777 0.05 . 367 31 31 LEU CG C 27.600 0.05 . 368 31 31 LEU CD1 C 22.349 0.05 . 369 31 31 LEU N N 110.931 0.05 . 370 32 32 MET H H 7.342 0.02 . 371 32 32 MET HA H 4.698 0.02 . 372 32 32 MET HB2 H 2.196 0.02 . 373 32 32 MET HB3 H 2.086 0.02 . 374 32 32 MET HG2 H 2.038 0.02 . 375 32 32 MET HG3 H 2.488 0.02 . 376 32 32 MET HE H 2.106 0.02 . 377 32 32 MET C C 175.066 0.05 . 378 32 32 MET CA C 56.043 0.05 . 379 32 32 MET CB C 33.804 0.05 . 380 32 32 MET CG C 33.910 0.05 . 381 32 32 MET CE C 18.737 0.05 . 382 32 32 MET N N 119.119 0.05 . 383 33 33 TRP H H 8.419 0.02 . 384 33 33 TRP HA H 4.804 0.02 . 385 33 33 TRP HB2 H 1.385 0.02 . 386 33 33 TRP HB3 H 1.714 0.02 . 387 33 33 TRP HD1 H 7.099 0.02 . 388 33 33 TRP HE1 H 9.786 0.02 . 389 33 33 TRP HE3 H 7.157 0.02 . 390 33 33 TRP HZ2 H 7.122 0.02 . 391 33 33 TRP HH2 H 6.671 0.02 . 392 33 33 TRP C C 174.378 0.05 . 393 33 33 TRP CA C 56.539 0.05 . 394 33 33 TRP CB C 28.714 0.05 . 395 33 33 TRP CD1 C 127.110 0.05 . 396 33 33 TRP CE3 C 120.336 0.05 . 397 33 33 TRP CZ2 C 114.372 0.05 . 398 33 33 TRP CH2 C 124.890 0.05 . 399 33 33 TRP N N 122.079 0.05 . 400 33 33 TRP NE1 N 129.375 0.05 . 401 34 34 GLU H H 9.534 0.02 . 402 34 34 GLU HA H 4.821 0.02 . 403 34 34 GLU HB2 H 1.713 0.02 . 404 34 34 GLU HB3 H 1.713 0.02 . 405 34 34 GLU HG2 H 2.248 0.02 . 406 34 34 GLU HG3 H 2.248 0.02 . 407 34 34 GLU C C 174.021 0.05 . 408 34 34 GLU CA C 54.225 0.05 . 409 34 34 GLU CB C 32.560 0.05 . 410 34 34 GLU CG C 36.000 0.05 . 411 34 34 GLU N N 115.609 0.05 . 412 35 35 PHE H H 7.169 0.02 . 413 35 35 PHE HA H 5.357 0.02 . 414 35 35 PHE HB2 H 2.394 0.02 . 415 35 35 PHE HB3 H 3.499 0.02 . 416 35 35 PHE HD1 H 6.977 0.02 . 417 35 35 PHE HD2 H 6.977 0.02 . 418 35 35 PHE HE1 H 7.168 0.02 . 419 35 35 PHE HE2 H 7.168 0.02 . 420 35 35 PHE CA C 54.208 0.05 . 421 35 35 PHE CB C 37.279 0.05 . 422 35 35 PHE CD1 C 132.990 0.05 . 423 35 35 PHE CE1 C 128.948 0.05 . 424 35 35 PHE N N 119.110 0.05 . 425 36 36 PRO HA H 4.393 0.02 . 426 36 36 PRO HB2 H 1.752 0.02 . 427 36 36 PRO HB3 H 1.998 0.02 . 428 36 36 PRO HG2 H 1.707 0.02 . 429 36 36 PRO HG3 H 2.065 0.02 . 430 36 36 PRO HD2 H 3.678 0.02 . 431 36 36 PRO HD3 H 3.720 0.02 . 432 36 36 PRO C C 175.012 0.05 . 433 36 36 PRO CA C 62.669 0.05 . 434 36 36 PRO CB C 32.900 0.05 . 435 36 36 PRO CG C 27.200 0.05 . 436 36 36 PRO CD C 49.679 0.05 . 437 37 37 GLY H H 8.427 0.02 . 438 37 37 GLY HA2 H 4.711 0.02 . 439 37 37 GLY HA3 H 3.588 0.02 . 440 37 37 GLY C C 172.541 0.05 . 441 37 37 GLY CA C 45.974 0.05 . 442 37 37 GLY N N 107.165 0.05 . 443 38 38 GLY H H 8.078 0.02 . 444 38 38 GLY HA2 H 4.242 0.02 . 445 38 38 GLY HA3 H 4.059 0.02 . 446 38 38 GLY C C 171.313 0.05 . 447 38 38 GLY CA C 45.702 0.05 . 448 38 38 GLY N N 108.191 0.05 . 449 39 39 LYS H H 8.406 0.02 . 450 39 39 LYS HA H 4.628 0.02 . 451 39 39 LYS HB2 H 1.818 0.02 . 452 39 39 LYS HB3 H 1.818 0.02 . 453 39 39 LYS HG2 H 1.493 0.02 . 454 39 39 LYS HG3 H 1.396 0.02 . 455 39 39 LYS HD2 H 1.728 0.02 . 456 39 39 LYS HD3 H 1.728 0.02 . 457 39 39 LYS HE2 H 2.921 0.02 . 458 39 39 LYS HE3 H 2.921 0.02 . 459 39 39 LYS C C 175.258 0.05 . 460 39 39 LYS CA C 56.754 0.05 . 461 39 39 LYS CB C 33.640 0.05 . 462 39 39 LYS CG C 24.797 0.05 . 463 39 39 LYS CD C 29.150 0.05 . 464 39 39 LYS CE C 41.940 0.05 . 465 39 39 LYS N N 119.365 0.05 . 466 40 40 VAL H H 8.051 0.02 . 467 40 40 VAL HA H 3.950 0.02 . 468 40 40 VAL HB H 1.863 0.02 . 469 40 40 VAL HG1 H 0.959 0.02 . 470 40 40 VAL HG2 H 0.873 0.02 . 471 40 40 VAL C C 177.417 0.05 . 472 40 40 VAL CA C 61.385 0.05 . 473 40 40 VAL CB C 32.470 0.05 . 474 40 40 VAL CG1 C 21.751 0.05 . 475 40 40 VAL CG2 C 22.050 0.05 . 476 40 40 VAL N N 122.409 0.05 . 477 41 41 GLU H H 9.365 0.02 . 478 41 41 GLU HA H 4.460 0.02 . 479 41 41 GLU HB2 H 2.167 0.02 . 480 41 41 GLU HB3 H 1.752 0.02 . 481 41 41 GLU HG2 H 2.223 0.02 . 482 41 41 GLU HG3 H 2.417 0.02 . 483 41 41 GLU C C 176.991 0.05 . 484 41 41 GLU CA C 55.815 0.05 . 485 41 41 GLU CB C 30.332 0.05 . 486 41 41 GLU CG C 35.520 0.05 . 487 41 41 GLU N N 129.983 0.05 . 488 42 42 LYS H H 8.639 0.02 . 489 42 42 LYS HA H 4.051 0.02 . 490 42 42 LYS HB2 H 1.792 0.02 . 491 42 42 LYS HB3 H 1.857 0.02 . 492 42 42 LYS HG2 H 1.502 0.02 . 493 42 42 LYS HG3 H 1.502 0.02 . 494 42 42 LYS HD2 H 2.181 0.02 . 495 42 42 LYS HD3 H 1.750 0.02 . 496 42 42 LYS HE2 H 3.038 0.02 . 497 42 42 LYS HE3 H 2.997 0.02 . 498 42 42 LYS C C 177.275 0.05 . 499 42 42 LYS CA C 58.786 0.05 . 500 42 42 LYS CB C 32.227 0.05 . 501 42 42 LYS CG C 24.520 0.05 . 502 42 42 LYS CD C 29.250 0.05 . 503 42 42 LYS CE C 41.970 0.05 . 504 42 42 LYS N N 119.415 0.05 . 505 43 43 ASN H H 8.616 0.02 . 506 43 43 ASN HA H 4.580 0.02 . 507 43 43 ASN HB2 H 2.954 0.02 . 508 43 43 ASN HB3 H 3.021 0.02 . 509 43 43 ASN HD21 H 6.944 0.02 . 510 43 43 ASN HD22 H 7.660 0.02 . 511 43 43 ASN C C 173.973 0.05 . 512 43 43 ASN CA C 53.710 0.05 . 513 43 43 ASN CB C 37.510 0.05 . 514 43 43 ASN N N 115.880 0.05 . 515 43 43 ASN ND2 N 113.185 0.05 . 516 44 44 GLU H H 7.745 0.02 . 517 44 44 GLU HA H 4.699 0.02 . 518 44 44 GLU HB2 H 2.151 0.02 . 519 44 44 GLU HB3 H 2.085 0.02 . 520 44 44 GLU HG2 H 2.378 0.02 . 521 44 44 GLU HG3 H 2.242 0.02 . 522 44 44 GLU C C 176.561 0.05 . 523 44 44 GLU CA C 55.116 0.05 . 524 44 44 GLU CB C 32.555 0.05 . 525 44 44 GLU CG C 36.150 0.05 . 526 44 44 GLU N N 119.867 0.05 . 527 45 45 THR H H 8.455 0.02 . 528 45 45 THR HA H 4.490 0.02 . 529 45 45 THR HB H 4.655 0.02 . 530 45 45 THR HG2 H 1.358 0.02 . 531 45 45 THR C C 175.213 0.05 . 532 45 45 THR CA C 60.980 0.05 . 533 45 45 THR CB C 70.982 0.05 . 534 45 45 THR CG2 C 21.610 0.05 . 535 45 45 THR N N 111.989 0.05 . 536 46 46 GLU H H 9.188 0.02 . 537 46 46 GLU HA H 3.872 0.02 . 538 46 46 GLU HB2 H 2.406 0.02 . 539 46 46 GLU HB3 H 1.975 0.02 . 540 46 46 GLU HG2 H 2.704 0.02 . 541 46 46 GLU HG3 H 2.372 0.02 . 542 46 46 GLU C C 177.636 0.05 . 543 46 46 GLU CA C 61.936 0.05 . 544 46 46 GLU CB C 28.790 0.05 . 545 46 46 GLU CG C 38.052 0.05 . 546 46 46 GLU N N 120.484 0.05 . 547 47 47 LYS H H 8.104 0.02 . 548 47 47 LYS HA H 3.297 0.02 . 549 47 47 LYS HB2 H 1.616 0.02 . 550 47 47 LYS HB3 H 1.652 0.02 . 551 47 47 LYS HG2 H 1.147 0.02 . 552 47 47 LYS HG3 H 0.809 0.02 . 553 47 47 LYS HD2 H 1.582 0.02 . 554 47 47 LYS HD3 H 1.582 0.02 . 555 47 47 LYS HE2 H 2.780 0.02 . 556 47 47 LYS HE3 H 2.807 0.02 . 557 47 47 LYS C C 177.811 0.05 . 558 47 47 LYS CA C 60.171 0.05 . 559 47 47 LYS CB C 32.203 0.05 . 560 47 47 LYS CG C 25.345 0.05 . 561 47 47 LYS CD C 29.340 0.05 . 562 47 47 LYS CE C 41.950 0.05 . 563 47 47 LYS N N 117.617 0.05 . 564 48 48 ASP H H 7.481 0.02 . 565 48 48 ASP HA H 4.307 0.02 . 566 48 48 ASP HB2 H 2.692 0.02 . 567 48 48 ASP HB3 H 2.811 0.02 . 568 48 48 ASP C C 179.592 0.05 . 569 48 48 ASP CA C 57.245 0.05 . 570 48 48 ASP CB C 39.830 0.05 . 571 48 48 ASP N N 117.202 0.05 . 572 49 49 ALA H H 8.331 0.02 . 573 49 49 ALA HA H 4.117 0.02 . 574 49 49 ALA HB H 1.629 0.02 . 575 49 49 ALA C C 178.745 0.05 . 576 49 49 ALA CA C 55.210 0.05 . 577 49 49 ALA CB C 20.928 0.05 . 578 49 49 ALA N N 124.244 0.05 . 579 50 50 LEU H H 7.851 0.02 . 580 50 50 LEU HA H 3.845 0.02 . 581 50 50 LEU HB2 H 1.329 0.02 . 582 50 50 LEU HB3 H 1.759 0.02 . 583 50 50 LEU HG H 1.516 0.02 . 584 50 50 LEU HD1 H 0.790 0.02 . 585 50 50 LEU HD2 H 0.790 0.02 . 586 50 50 LEU C C 178.151 0.05 . 587 50 50 LEU CA C 57.605 0.05 . 588 50 50 LEU CB C 40.572 0.05 . 589 50 50 LEU CG C 26.040 0.05 . 590 50 50 LEU CD1 C 22.070 0.05 . 591 50 50 LEU N N 118.453 0.05 . 592 51 51 ILE H H 8.165 0.02 . 593 51 51 ILE HA H 3.468 0.02 . 594 51 51 ILE HB H 1.876 0.02 . 595 51 51 ILE HG12 H 1.063 0.02 . 596 51 51 ILE HG13 H 1.722 0.02 . 597 51 51 ILE HG2 H 0.935 0.02 . 598 51 51 ILE HD1 H 0.829 0.02 . 599 51 51 ILE C C 178.251 0.05 . 600 51 51 ILE CA C 65.974 0.05 . 601 51 51 ILE CB C 38.146 0.05 . 602 51 51 ILE CG1 C 29.774 0.05 . 603 51 51 ILE CG2 C 17.014 0.05 . 604 51 51 ILE CD1 C 13.559 0.05 . 605 51 51 ILE N N 118.996 0.05 . 606 52 52 ARG H H 7.989 0.02 . 607 52 52 ARG HA H 4.044 0.02 . 608 52 52 ARG HB2 H 1.730 0.02 . 609 52 52 ARG HB3 H 2.195 0.02 . 610 52 52 ARG HG2 H 1.718 0.02 . 611 52 52 ARG HG3 H 1.465 0.02 . 612 52 52 ARG HD2 H 3.005 0.02 . 613 52 52 ARG HD3 H 3.005 0.02 . 614 52 52 ARG C C 178.189 0.05 . 615 52 52 ARG CA C 60.043 0.05 . 616 52 52 ARG CB C 28.437 0.05 . 617 52 52 ARG CG C 24.690 0.05 . 618 52 52 ARG CD C 42.140 0.05 . 619 52 52 ARG N N 121.263 0.05 . 620 53 53 GLU H H 8.768 0.02 . 621 53 53 GLU HA H 3.918 0.02 . 622 53 53 GLU HB2 H 2.130 0.02 . 623 53 53 GLU HB3 H 2.130 0.02 . 624 53 53 GLU HG2 H 1.973 0.02 . 625 53 53 GLU HG3 H 2.415 0.02 . 626 53 53 GLU C C 180.053 0.05 . 627 53 53 GLU CA C 59.585 0.05 . 628 53 53 GLU CB C 28.740 0.05 . 629 53 53 GLU CG C 35.088 0.05 . 630 53 53 GLU N N 120.225 0.05 . 631 54 54 ILE H H 8.951 0.02 . 632 54 54 ILE HA H 3.646 0.02 . 633 54 54 ILE HB H 1.980 0.02 . 634 54 54 ILE HG12 H 1.078 0.02 . 635 54 54 ILE HG13 H 1.748 0.02 . 636 54 54 ILE HG2 H 0.966 0.02 . 637 54 54 ILE HD1 H 1.004 0.02 . 638 54 54 ILE C C 176.630 0.05 . 639 54 54 ILE CA C 65.299 0.05 . 640 54 54 ILE CB C 37.790 0.05 . 641 54 54 ILE CG1 C 29.380 0.05 . 642 54 54 ILE CG2 C 18.640 0.05 . 643 54 54 ILE CD1 C 13.830 0.05 . 644 54 54 ILE N N 120.872 0.05 . 645 55 55 ARG H H 7.886 0.02 . 646 55 55 ARG HA H 4.348 0.02 . 647 55 55 ARG HB2 H 2.002 0.02 . 648 55 55 ARG HB3 H 2.037 0.02 . 649 55 55 ARG HG2 H 1.774 0.02 . 650 55 55 ARG HG3 H 1.596 0.02 . 651 55 55 ARG HD2 H 3.271 0.02 . 652 55 55 ARG HD3 H 3.271 0.02 . 653 55 55 ARG C C 179.179 0.05 . 654 55 55 ARG CA C 59.180 0.05 . 655 55 55 ARG CB C 30.910 0.05 . 656 55 55 ARG CG C 27.400 0.05 . 657 55 55 ARG CD C 43.120 0.05 . 658 55 55 ARG N N 117.573 0.05 . 659 56 56 GLU H H 9.073 0.02 . 660 56 56 GLU HA H 4.254 0.02 . 661 56 56 GLU HB2 H 2.125 0.02 . 662 56 56 GLU HB3 H 2.125 0.02 . 663 56 56 GLU HG2 H 2.513 0.02 . 664 56 56 GLU HG3 H 2.340 0.02 . 665 56 56 GLU C C 177.636 0.05 . 666 56 56 GLU CA C 58.646 0.05 . 667 56 56 GLU CB C 30.390 0.05 . 668 56 56 GLU CG C 36.550 0.05 . 669 56 56 GLU N N 115.440 0.05 . 670 57 57 GLU H H 7.980 0.02 . 671 57 57 GLU HA H 4.668 0.02 . 672 57 57 GLU HB2 H 2.274 0.02 . 673 57 57 GLU HB3 H 2.247 0.02 . 674 57 57 GLU HG2 H 2.551 0.02 . 675 57 57 GLU HG3 H 2.338 0.02 . 676 57 57 GLU C C 177.727 0.05 . 677 57 57 GLU CA C 57.055 0.05 . 678 57 57 GLU CB C 30.080 0.05 . 679 57 57 GLU CG C 35.070 0.05 . 680 57 57 GLU N N 116.648 0.05 . 681 58 58 MET H H 8.535 0.02 . 682 58 58 MET HA H 5.163 0.02 . 683 58 58 MET HB2 H 2.516 0.02 . 684 58 58 MET HB3 H 2.035 0.02 . 685 58 58 MET HG2 H 2.678 0.02 . 686 58 58 MET HG3 H 2.527 0.02 . 687 58 58 MET HE H 2.099 0.02 . 688 58 58 MET C C 176.614 0.05 . 689 58 58 MET CA C 56.304 0.05 . 690 58 58 MET CB C 34.660 0.05 . 691 58 58 MET CG C 33.500 0.05 . 692 58 58 MET CE C 16.974 0.05 . 693 58 58 MET N N 114.703 0.05 . 694 59 59 LYS H H 7.071 0.02 . 695 59 59 LYS HA H 4.082 0.02 . 696 59 59 LYS HB2 H 1.851 0.02 . 697 59 59 LYS HB3 H 1.851 0.02 . 698 59 59 LYS HG2 H 1.254 0.02 . 699 59 59 LYS HG3 H 1.254 0.02 . 700 59 59 LYS HD2 H 1.605 0.02 . 701 59 59 LYS HD3 H 1.605 0.02 . 702 59 59 LYS HE2 H 3.045 0.02 . 703 59 59 LYS HE3 H 2.987 0.02 . 704 59 59 LYS C C 175.737 0.05 . 705 59 59 LYS CA C 56.183 0.05 . 706 59 59 LYS CB C 29.720 0.05 . 707 59 59 LYS CG C 24.500 0.05 . 708 59 59 LYS CD C 29.140 0.05 . 709 59 59 LYS CE C 42.150 0.05 . 710 59 59 LYS N N 114.086 0.05 . 711 60 60 CYS H H 8.192 0.02 . 712 60 60 CYS HA H 5.283 0.02 . 713 60 60 CYS HB2 H 2.725 0.02 . 714 60 60 CYS HB3 H 2.798 0.02 . 715 60 60 CYS C C 172.112 0.05 . 716 60 60 CYS CA C 56.395 0.05 . 717 60 60 CYS CB C 30.505 0.05 . 718 60 60 CYS N N 112.581 0.05 . 719 61 61 ASP H H 8.372 0.02 . 720 61 61 ASP HA H 4.764 0.02 . 721 61 61 ASP HB2 H 2.534 0.02 . 722 61 61 ASP HB3 H 2.898 0.02 . 723 61 61 ASP C C 175.531 0.05 . 724 61 61 ASP CA C 52.988 0.05 . 725 61 61 ASP CB C 40.141 0.05 . 726 61 61 ASP N N 118.814 0.05 . 727 62 62 LEU H H 6.741 0.02 . 728 62 62 LEU HA H 4.332 0.02 . 729 62 62 LEU HB2 H 1.698 0.02 . 730 62 62 LEU HB3 H 1.230 0.02 . 731 62 62 LEU HG H 1.778 0.02 . 732 62 62 LEU HD1 H 0.829 0.02 . 733 62 62 LEU HD2 H 1.017 0.02 . 734 62 62 LEU C C 175.575 0.05 . 735 62 62 LEU CA C 55.605 0.05 . 736 62 62 LEU CB C 44.754 0.05 . 737 62 62 LEU CG C 30.300 0.05 . 738 62 62 LEU CD1 C 25.480 0.05 . 739 62 62 LEU CD2 C 25.590 0.05 . 740 62 62 LEU N N 118.547 0.05 . 741 63 63 ILE H H 8.234 0.02 . 742 63 63 ILE HA H 4.194 0.02 . 743 63 63 ILE HB H 1.882 0.02 . 744 63 63 ILE HG12 H 1.593 0.02 . 745 63 63 ILE HG13 H 1.094 0.02 . 746 63 63 ILE HG2 H 0.826 0.02 . 747 63 63 ILE HD1 H 0.806 0.02 . 748 63 63 ILE C C 177.096 0.05 . 749 63 63 ILE CA C 60.656 0.05 . 750 63 63 ILE CB C 38.482 0.05 . 751 63 63 ILE CG1 C 27.390 0.05 . 752 63 63 ILE CG2 C 17.220 0.05 . 753 63 63 ILE CD1 C 12.940 0.05 . 754 63 63 ILE N N 121.420 0.05 . 755 64 64 VAL H H 8.849 0.02 . 756 64 64 VAL HA H 4.253 0.02 . 757 64 64 VAL HB H 1.883 0.02 . 758 64 64 VAL HG1 H 0.758 0.02 . 759 64 64 VAL HG2 H 0.800 0.02 . 760 64 64 VAL C C 176.014 0.05 . 761 64 64 VAL CA C 63.825 0.05 . 762 64 64 VAL CB C 31.870 0.05 . 763 64 64 VAL CG1 C 22.010 0.05 . 764 64 64 VAL CG2 C 22.010 0.05 . 765 64 64 VAL N N 130.946 0.05 . 766 65 65 GLY H H 9.210 0.02 . 767 65 65 GLY HA2 H 4.449 0.02 . 768 65 65 GLY HA3 H 3.516 0.02 . 769 65 65 GLY C C 173.602 0.05 . 770 65 65 GLY CA C 44.771 0.05 . 771 65 65 GLY N N 121.627 0.05 . 772 66 66 ASP H H 8.360 0.02 . 773 66 66 ASP HA H 4.606 0.02 . 774 66 66 ASP HB2 H 2.695 0.02 . 775 66 66 ASP HB3 H 2.386 0.02 . 776 66 66 ASP C C 175.998 0.05 . 777 66 66 ASP CA C 54.537 0.05 . 778 66 66 ASP CB C 42.122 0.05 . 779 66 66 ASP N N 122.380 0.05 . 780 67 67 LYS H H 8.378 0.02 . 781 67 67 LYS HA H 3.446 0.02 . 782 67 67 LYS HB2 H 1.463 0.02 . 783 67 67 LYS HB3 H 1.463 0.02 . 784 67 67 LYS HG2 H 0.734 0.02 . 785 67 67 LYS HG3 H 0.734 0.02 . 786 67 67 LYS HD2 H 1.481 0.02 . 787 67 67 LYS HD3 H 1.481 0.02 . 788 67 67 LYS HE2 H 2.773 0.02 . 789 67 67 LYS HE3 H 2.773 0.02 . 790 67 67 LYS C C 176.469 0.05 . 791 67 67 LYS CA C 57.166 0.05 . 792 67 67 LYS CB C 32.847 0.05 . 793 67 67 LYS CG C 24.370 0.05 . 794 67 67 LYS CD C 29.180 0.05 . 795 67 67 LYS CE C 41.960 0.05 . 796 67 67 LYS N N 121.149 0.05 . 797 68 68 VAL H H 8.973 0.02 . 798 68 68 VAL HA H 3.859 0.02 . 799 68 68 VAL HB H 2.057 0.02 . 800 68 68 VAL HG1 H 0.845 0.02 . 801 68 68 VAL HG2 H 0.722 0.02 . 802 68 68 VAL C C 174.837 0.05 . 803 68 68 VAL CA C 64.685 0.05 . 804 68 68 VAL CB C 30.690 0.05 . 805 68 68 VAL CG1 C 22.940 0.05 . 806 68 68 VAL CG2 C 20.160 0.05 . 807 68 68 VAL N N 129.007 0.05 . 808 69 69 ILE H H 7.207 0.02 . 809 69 69 ILE HA H 4.374 0.02 . 810 69 69 ILE HB H 1.701 0.02 . 811 69 69 ILE HG12 H 1.115 0.02 . 812 69 69 ILE HG13 H 1.115 0.02 . 813 69 69 ILE HG2 H 0.651 0.02 . 814 69 69 ILE HD1 H 0.750 0.02 . 815 69 69 ILE C C 171.962 0.05 . 816 69 69 ILE CA C 60.734 0.05 . 817 69 69 ILE CB C 42.250 0.05 . 818 69 69 ILE CG1 C 28.590 0.05 . 819 69 69 ILE CG2 C 15.480 0.05 . 820 69 69 ILE CD1 C 14.710 0.05 . 821 69 69 ILE N N 114.952 0.05 . 822 70 70 THR H H 7.910 0.02 . 823 70 70 THR HA H 5.433 0.02 . 824 70 70 THR HB H 3.676 0.02 . 825 70 70 THR HG2 H 1.055 0.02 . 826 70 70 THR C C 174.080 0.05 . 827 70 70 THR CA C 62.562 0.05 . 828 70 70 THR CB C 70.671 0.05 . 829 70 70 THR CG2 C 21.848 0.05 . 830 70 70 THR N N 121.185 0.05 . 831 71 71 THR H H 9.250 0.02 . 832 71 71 THR HA H 4.609 0.02 . 833 71 71 THR HB H 3.907 0.02 . 834 71 71 THR HG2 H 1.314 0.02 . 835 71 71 THR C C 172.391 0.05 . 836 71 71 THR CA C 61.197 0.05 . 837 71 71 THR CB C 72.975 0.05 . 838 71 71 THR CG2 C 22.660 0.05 . 839 71 71 THR N N 125.602 0.05 . 840 72 72 GLU H H 8.730 0.02 . 841 72 72 GLU HA H 5.511 0.02 . 842 72 72 GLU HB2 H 1.874 0.02 . 843 72 72 GLU HB3 H 1.795 0.02 . 844 72 72 GLU HG2 H 2.135 0.02 . 845 72 72 GLU HG3 H 1.894 0.02 . 846 72 72 GLU C C 175.366 0.05 . 847 72 72 GLU CA C 54.783 0.05 . 848 72 72 GLU CB C 31.498 0.05 . 849 72 72 GLU CG C 37.120 0.05 . 850 72 72 GLU N N 125.571 0.05 . 851 73 73 HIS H H 9.416 0.02 . 852 73 73 HIS HA H 4.464 0.02 . 853 73 73 HIS HB2 H 2.479 0.02 . 854 73 73 HIS HB3 H 2.670 0.02 . 855 73 73 HIS HD2 H 6.581 0.02 . 856 73 73 HIS HE1 H 7.606 0.02 . 857 73 73 HIS C C 172.467 0.05 . 858 73 73 HIS CA C 55.955 0.05 . 859 73 73 HIS CB C 34.028 0.05 . 860 73 73 HIS CD2 C 120.164 0.05 . 861 73 73 HIS CE1 C 138.498 0.05 . 862 73 73 HIS N N 125.697 0.05 . 863 74 74 GLU H H 7.951 0.02 . 864 74 74 GLU HA H 4.157 0.02 . 865 74 74 GLU HB2 H 1.701 0.02 . 866 74 74 GLU HB3 H 1.579 0.02 . 867 74 74 GLU HG2 H 1.847 0.02 . 868 74 74 GLU HG3 H 1.920 0.02 . 869 74 74 GLU C C 174.325 0.05 . 870 74 74 GLU CA C 56.201 0.05 . 871 74 74 GLU CB C 29.082 0.05 . 872 74 74 GLU CG C 35.790 0.05 . 873 74 74 GLU N N 128.137 0.05 . 874 75 75 TYR H H 8.277 0.02 . 875 75 75 TYR HA H 4.883 0.02 . 876 75 75 TYR HB2 H 2.678 0.02 . 877 75 75 TYR HB3 H 2.726 0.02 . 878 75 75 TYR HD1 H 7.248 0.02 . 879 75 75 TYR HD2 H 7.248 0.02 . 880 75 75 TYR HE1 H 6.843 0.02 . 881 75 75 TYR HE2 H 6.843 0.02 . 882 75 75 TYR CA C 56.853 0.05 . 883 75 75 TYR CB C 40.397 0.05 . 884 75 75 TYR CD1 C 134.339 0.05 . 885 75 75 TYR CE1 C 120.246 0.05 . 886 75 75 TYR N N 126.449 0.05 . 887 76 76 ASP HA H 4.240 0.02 . 888 76 76 ASP HB2 H 2.799 0.02 . 889 76 76 ASP HB3 H 2.799 0.02 . 890 76 76 ASP C C 177.543 0.05 . 891 76 76 ASP CA C 57.312 0.05 . 892 76 76 ASP CB C 39.660 0.05 . 893 77 77 PHE H H 6.842 0.02 . 894 77 77 PHE HA H 4.765 0.02 . 895 77 77 PHE HB2 H 3.475 0.02 . 896 77 77 PHE HB3 H 2.950 0.02 . 897 77 77 PHE HD1 H 7.157 0.02 . 898 77 77 PHE HD2 H 7.157 0.02 . 899 77 77 PHE HE1 H 6.975 0.02 . 900 77 77 PHE HE2 H 6.975 0.02 . 901 77 77 PHE HZ H 6.603 0.02 . 902 77 77 PHE C C 175.444 0.05 . 903 77 77 PHE CA C 55.885 0.05 . 904 77 77 PHE CB C 38.341 0.05 . 905 77 77 PHE CD1 C 132.545 0.05 . 906 77 77 PHE CE1 C 133.020 0.05 . 907 77 77 PHE CZ C 130.786 0.05 . 908 77 77 PHE N N 110.136 0.05 . 909 78 78 GLY H H 6.987 0.02 . 910 78 78 GLY HA2 H 3.925 0.02 . 911 78 78 GLY HA3 H 4.264 0.02 . 912 78 78 GLY C C 170.026 0.05 . 913 78 78 GLY CA C 45.026 0.05 . 914 78 78 GLY N N 110.644 0.05 . 915 79 79 ILE H H 8.778 0.02 . 916 79 79 ILE HA H 4.494 0.02 . 917 79 79 ILE HB H 1.779 0.02 . 918 79 79 ILE HG12 H 1.494 0.02 . 919 79 79 ILE HG13 H 0.786 0.02 . 920 79 79 ILE HG2 H 0.692 0.02 . 921 79 79 ILE HD1 H 0.776 0.02 . 922 79 79 ILE C C 175.238 0.05 . 923 79 79 ILE CA C 60.854 0.05 . 924 79 79 ILE CB C 38.948 0.05 . 925 79 79 ILE CG1 C 28.400 0.05 . 926 79 79 ILE CG2 C 17.330 0.05 . 927 79 79 ILE CD1 C 13.570 0.05 . 928 79 79 ILE N N 120.647 0.05 . 929 80 80 VAL H H 8.972 0.02 . 930 80 80 VAL HA H 4.862 0.02 . 931 80 80 VAL HB H 2.206 0.02 . 932 80 80 VAL HG1 H 1.293 0.02 . 933 80 80 VAL HG2 H 1.087 0.02 . 934 80 80 VAL C C 174.196 0.05 . 935 80 80 VAL CA C 61.270 0.05 . 936 80 80 VAL CB C 34.400 0.05 . 937 80 80 VAL CG1 C 22.700 0.05 . 938 80 80 VAL CG2 C 20.885 0.05 . 939 80 80 VAL N N 128.041 0.05 . 940 81 81 ARG H H 8.983 0.02 . 941 81 81 ARG HA H 5.119 0.02 . 942 81 81 ARG HB2 H 1.926 0.02 . 943 81 81 ARG HB3 H 1.414 0.02 . 944 81 81 ARG HG2 H 1.515 0.02 . 945 81 81 ARG HG3 H 1.257 0.02 . 946 81 81 ARG HD2 H 3.140 0.02 . 947 81 81 ARG HD3 H 3.140 0.02 . 948 81 81 ARG C C 173.481 0.05 . 949 81 81 ARG CA C 54.651 0.05 . 950 81 81 ARG CB C 31.312 0.05 . 951 81 81 ARG CG C 28.290 0.05 . 952 81 81 ARG CD C 43.572 0.05 . 953 81 81 ARG N N 129.847 0.05 . 954 82 82 LEU H H 9.377 0.02 . 955 82 82 LEU HA H 5.335 0.02 . 956 82 82 LEU HB2 H 1.115 0.02 . 957 82 82 LEU HB3 H 1.822 0.02 . 958 82 82 LEU HG H 0.768 0.02 . 959 82 82 LEU HD1 H 0.730 0.02 . 960 82 82 LEU HD2 H 0.730 0.02 . 961 82 82 LEU C C 176.474 0.05 . 962 82 82 LEU CA C 53.382 0.05 . 963 82 82 LEU CB C 44.835 0.05 . 964 82 82 LEU CG C 25.780 0.05 . 965 82 82 LEU CD1 C 23.008 0.05 . 966 82 82 LEU N N 128.526 0.05 . 967 83 83 THR H H 8.794 0.02 . 968 83 83 THR HA H 5.393 0.02 . 969 83 83 THR HB H 3.974 0.02 . 970 83 83 THR HG2 H 1.037 0.02 . 971 83 83 THR C C 173.488 0.05 . 972 83 83 THR CA C 62.114 0.05 . 973 83 83 THR CB C 69.963 0.05 . 974 83 83 THR CG2 C 22.083 0.05 . 975 83 83 THR N N 126.857 0.05 . 976 84 84 THR H H 8.169 0.02 . 977 84 84 THR HA H 5.476 0.02 . 978 84 84 THR HB H 3.574 0.02 . 979 84 84 THR HG2 H 1.037 0.02 . 980 84 84 THR C C 174.623 0.05 . 981 84 84 THR CA C 57.755 0.05 . 982 84 84 THR CB C 72.281 0.05 . 983 84 84 THR CG2 C 22.590 0.05 . 984 84 84 THR N N 115.469 0.05 . 985 85 85 TYR H H 8.013 0.02 . 986 85 85 TYR HA H 4.810 0.02 . 987 85 85 TYR HB2 H 2.299 0.02 . 988 85 85 TYR HB3 H 2.617 0.02 . 989 85 85 TYR HD1 H 6.977 0.02 . 990 85 85 TYR HD2 H 6.977 0.02 . 991 85 85 TYR HE1 H 6.577 0.02 . 992 85 85 TYR HE2 H 6.577 0.02 . 993 85 85 TYR C C 175.820 0.05 . 994 85 85 TYR CA C 57.105 0.05 . 995 85 85 TYR CB C 42.378 0.05 . 996 85 85 TYR CD1 C 132.990 0.05 . 997 85 85 TYR CE1 C 117.273 0.05 . 998 85 85 TYR N N 117.690 0.05 . 999 86 86 LYS H H 8.892 0.02 . 1000 86 86 LYS HA H 4.810 0.02 . 1001 86 86 LYS HB2 H 1.869 0.02 . 1002 86 86 LYS HB3 H 1.869 0.02 . 1003 86 86 LYS HG2 H 1.213 0.02 . 1004 86 86 LYS HG3 H 1.213 0.02 . 1005 86 86 LYS HD2 H 1.481 0.02 . 1006 86 86 LYS HD3 H 1.538 0.02 . 1007 86 86 LYS HE2 H 2.611 0.02 . 1008 86 86 LYS HE3 H 2.611 0.02 . 1009 86 86 LYS C C 176.217 0.05 . 1010 86 86 LYS CA C 57.597 0.05 . 1011 86 86 LYS CB C 33.442 0.05 . 1012 86 86 LYS CG C 26.570 0.05 . 1013 86 86 LYS CD C 29.750 0.05 . 1014 86 86 LYS CE C 41.755 0.05 . 1015 86 86 LYS N N 123.931 0.05 . 1016 87 87 CYS H H 9.471 0.02 . 1017 87 87 CYS HA H 5.596 0.02 . 1018 87 87 CYS HB2 H 2.674 0.02 . 1019 87 87 CYS HB3 H 2.674 0.02 . 1020 87 87 CYS C C 173.667 0.05 . 1021 87 87 CYS CA C 57.207 0.05 . 1022 87 87 CYS CB C 33.785 0.05 . 1023 87 87 CYS N N 119.610 0.05 . 1024 88 88 THR H H 9.044 0.02 . 1025 88 88 THR HA H 5.045 0.02 . 1026 88 88 THR HB H 4.175 0.02 . 1027 88 88 THR HG2 H 1.357 0.02 . 1028 88 88 THR C C 173.539 0.05 . 1029 88 88 THR CA C 61.214 0.05 . 1030 88 88 THR CB C 71.679 0.05 . 1031 88 88 THR CG2 C 21.991 0.05 . 1032 88 88 THR N N 116.248 0.05 . 1033 89 89 LEU H H 8.484 0.02 . 1034 89 89 LEU HA H 4.306 0.02 . 1035 89 89 LEU HB2 H 1.775 0.02 . 1036 89 89 LEU HB3 H 1.492 0.02 . 1037 89 89 LEU HG H 1.732 0.02 . 1038 89 89 LEU HD1 H 1.042 0.02 . 1039 89 89 LEU HD2 H 0.942 0.02 . 1040 89 89 LEU C C 176.115 0.05 . 1041 89 89 LEU CA C 55.916 0.05 . 1042 89 89 LEU CB C 43.278 0.05 . 1043 89 89 LEU CG C 26.550 0.05 . 1044 89 89 LEU CD1 C 25.010 0.05 . 1045 89 89 LEU CD2 C 16.870 0.05 . 1046 89 89 LEU N N 124.017 0.05 . 1047 90 90 ASN H H 9.737 0.02 . 1048 90 90 ASN HA H 5.021 0.02 . 1049 90 90 ASN HB2 H 2.432 0.02 . 1050 90 90 ASN HB3 H 3.116 0.02 . 1051 90 90 ASN HD21 H 7.550 0.02 . 1052 90 90 ASN HD22 H 6.986 0.02 . 1053 90 90 ASN C C 174.266 0.05 . 1054 90 90 ASN CA C 52.268 0.05 . 1055 90 90 ASN CB C 38.307 0.05 . 1056 90 90 ASN N N 127.296 0.05 . 1057 90 90 ASN ND2 N 111.834 0.05 . 1058 91 91 LYS H H 9.236 0.02 . 1059 91 91 LYS HA H 4.303 0.02 . 1060 91 91 LYS HB2 H 2.036 0.02 . 1061 91 91 LYS HB3 H 1.873 0.02 . 1062 91 91 LYS HG2 H 1.361 0.02 . 1063 91 91 LYS HG3 H 1.457 0.02 . 1064 91 91 LYS HD2 H 1.636 0.02 . 1065 91 91 LYS HD3 H 1.636 0.02 . 1066 91 91 LYS HE2 H 2.910 0.02 . 1067 91 91 LYS HE3 H 2.981 0.02 . 1068 91 91 LYS C C 177.251 0.05 . 1069 91 91 LYS CA C 58.385 0.05 . 1070 91 91 LYS CB C 33.440 0.05 . 1071 91 91 LYS CG C 24.810 0.05 . 1072 91 91 LYS CD C 28.430 0.05 . 1073 91 91 LYS CE C 41.960 0.05 . 1074 91 91 LYS N N 121.741 0.05 . 1075 92 92 GLU H H 8.966 0.02 . 1076 92 92 GLU HA H 4.641 0.02 . 1077 92 92 GLU HB2 H 2.047 0.02 . 1078 92 92 GLU HB3 H 1.856 0.02 . 1079 92 92 GLU HG2 H 2.226 0.02 . 1080 92 92 GLU HG3 H 2.226 0.02 . 1081 92 92 GLU C C 175.904 0.05 . 1082 92 92 GLU CA C 54.648 0.05 . 1083 92 92 GLU CB C 32.256 0.05 . 1084 92 92 GLU CG C 35.400 0.05 . 1085 92 92 GLU N N 119.512 0.05 . 1086 93 93 LEU H H 8.656 0.02 . 1087 93 93 LEU HA H 4.561 0.02 . 1088 93 93 LEU HB2 H 1.739 0.02 . 1089 93 93 LEU HB3 H 1.599 0.02 . 1090 93 93 LEU HG H 1.465 0.02 . 1091 93 93 LEU HD1 H 1.051 0.02 . 1092 93 93 LEU HD2 H 1.051 0.02 . 1093 93 93 LEU CA C 52.975 0.05 . 1094 93 93 LEU CB C 41.644 0.05 . 1095 93 93 LEU CG C 26.420 0.05 . 1096 93 93 LEU CD1 C 25.090 0.05 . 1097 93 93 LEU N N 123.962 0.05 . 1098 94 94 PRO HA H 4.489 0.02 . 1099 94 94 PRO HB2 H 2.325 0.02 . 1100 94 94 PRO HB3 H 1.744 0.02 . 1101 94 94 PRO HG2 H 2.053 0.02 . 1102 94 94 PRO HG3 H 1.970 0.02 . 1103 94 94 PRO HD2 H 4.461 0.02 . 1104 94 94 PRO HD3 H 3.727 0.02 . 1105 94 94 PRO C C 176.094 0.05 . 1106 94 94 PRO CA C 62.924 0.05 . 1107 94 94 PRO CB C 32.800 0.05 . 1108 94 94 PRO CG C 27.200 0.05 . 1109 94 94 PRO CD C 49.850 0.05 . 1110 95 95 THR H H 9.369 0.02 . 1111 95 95 THR HA H 4.189 0.02 . 1112 95 95 THR HB H 4.018 0.02 . 1113 95 95 THR HG2 H 1.206 0.02 . 1114 95 95 THR C C 173.424 0.05 . 1115 95 95 THR CA C 63.367 0.05 . 1116 95 95 THR CB C 69.594 0.05 . 1117 95 95 THR CG2 C 21.206 0.05 . 1118 95 95 THR N N 121.503 0.05 . 1119 96 96 LEU H H 8.482 0.02 . 1120 96 96 LEU HA H 4.877 0.02 . 1121 96 96 LEU HB2 H 1.647 0.02 . 1122 96 96 LEU HB3 H 1.783 0.02 . 1123 96 96 LEU HG H 1.363 0.02 . 1124 96 96 LEU HD1 H 0.887 0.02 . 1125 96 96 LEU HD2 H 0.639 0.02 . 1126 96 96 LEU C C 177.566 0.05 . 1127 96 96 LEU CA C 53.528 0.05 . 1128 96 96 LEU CB C 41.530 0.05 . 1129 96 96 LEU CG C 26.849 0.05 . 1130 96 96 LEU CD1 C 23.735 0.05 . 1131 96 96 LEU CD2 C 26.604 0.05 . 1132 96 96 LEU N N 129.695 0.05 . 1133 97 97 THR H H 8.396 0.02 . 1134 97 97 THR HA H 4.133 0.02 . 1135 97 97 THR HB H 4.292 0.02 . 1136 97 97 THR HG2 H 1.248 0.02 . 1137 97 97 THR C C 175.986 0.05 . 1138 97 97 THR CA C 64.026 0.05 . 1139 97 97 THR CB C 69.507 0.05 . 1140 97 97 THR CG2 C 22.036 0.05 . 1141 97 97 THR N N 113.495 0.05 . 1142 98 98 GLU H H 9.226 0.02 . 1143 98 98 GLU HA H 4.318 0.02 . 1144 98 98 GLU HB2 H 2.021 0.02 . 1145 98 98 GLU HB3 H 1.777 0.02 . 1146 98 98 GLU HG2 H 2.141 0.02 . 1147 98 98 GLU HG3 H 2.253 0.02 . 1148 98 98 GLU C C 177.160 0.05 . 1149 98 98 GLU CA C 56.525 0.05 . 1150 98 98 GLU CB C 30.300 0.05 . 1151 98 98 GLU CG C 36.728 0.05 . 1152 98 98 GLU N N 120.315 0.05 . 1153 99 99 HIS H H 7.103 0.02 . 1154 99 99 HIS HA H 4.023 0.02 . 1155 99 99 HIS HB2 H 3.069 0.02 . 1156 99 99 HIS HB3 H 2.508 0.02 . 1157 99 99 HIS HD2 H 6.131 0.02 . 1158 99 99 HIS HE1 H 7.828 0.02 . 1159 99 99 HIS C C 174.942 0.05 . 1160 99 99 HIS CA C 60.536 0.05 . 1161 99 99 HIS CB C 30.914 0.05 . 1162 99 99 HIS CD2 C 115.593 0.05 . 1163 99 99 HIS CE1 C 138.439 0.05 . 1164 99 99 HIS N N 117.540 0.05 . 1165 100 100 LYS H H 8.453 0.02 . 1166 100 100 LYS HA H 4.094 0.02 . 1167 100 100 LYS HB2 H 1.342 0.02 . 1168 100 100 LYS HB3 H 1.208 0.02 . 1169 100 100 LYS HG2 H 1.117 0.02 . 1170 100 100 LYS HG3 H 1.117 0.02 . 1171 100 100 LYS HD2 H 1.305 0.02 . 1172 100 100 LYS HD3 H 1.305 0.02 . 1173 100 100 LYS HE2 H 2.862 0.02 . 1174 100 100 LYS HE3 H 2.936 0.02 . 1175 100 100 LYS C C 176.308 0.05 . 1176 100 100 LYS CA C 57.605 0.05 . 1177 100 100 LYS CB C 34.825 0.05 . 1178 100 100 LYS CG C 24.440 0.05 . 1179 100 100 LYS CD C 28.720 0.05 . 1180 100 100 LYS CE C 42.060 0.05 . 1181 100 100 LYS N N 121.647 0.05 . 1182 101 101 SER H H 7.006 0.02 . 1183 101 101 SER HA H 4.677 0.02 . 1184 101 101 SER HB2 H 3.583 0.02 . 1185 101 101 SER HB3 H 3.708 0.02 . 1186 101 101 SER C C 171.682 0.05 . 1187 101 101 SER CA C 56.945 0.05 . 1188 101 101 SER CB C 65.691 0.05 . 1189 101 101 SER N N 108.797 0.05 . 1190 102 102 ILE H H 8.272 0.02 . 1191 102 102 ILE HA H 5.069 0.02 . 1192 102 102 ILE HB H 1.690 0.02 . 1193 102 102 ILE HG12 H 1.071 0.02 . 1194 102 102 ILE HG13 H 1.456 0.02 . 1195 102 102 ILE HG2 H 0.675 0.02 . 1196 102 102 ILE HD1 H 0.794 0.02 . 1197 102 102 ILE C C 175.351 0.05 . 1198 102 102 ILE CA C 59.776 0.05 . 1199 102 102 ILE CB C 41.190 0.05 . 1200 102 102 ILE CG1 C 26.605 0.05 . 1201 102 102 ILE CG2 C 18.168 0.05 . 1202 102 102 ILE CD1 C 13.503 0.05 . 1203 102 102 ILE N N 120.818 0.05 . 1204 103 103 GLU H H 8.967 0.02 . 1205 103 103 GLU HA H 4.722 0.02 . 1206 103 103 GLU HB2 H 1.535 0.02 . 1207 103 103 GLU HB3 H 1.842 0.02 . 1208 103 103 GLU HG2 H 2.206 0.02 . 1209 103 103 GLU HG3 H 2.206 0.02 . 1210 103 103 GLU C C 174.075 0.05 . 1211 103 103 GLU CA C 54.951 0.05 . 1212 103 103 GLU CB C 34.671 0.05 . 1213 103 103 GLU CG C 36.284 0.05 . 1214 103 103 GLU N N 124.280 0.05 . 1215 104 104 TRP H H 8.806 0.02 . 1216 104 104 TRP HA H 5.226 0.02 . 1217 104 104 TRP HB2 H 2.902 0.02 . 1218 104 104 TRP HB3 H 3.051 0.02 . 1219 104 104 TRP HD1 H 7.272 0.02 . 1220 104 104 TRP HE1 H 10.258 0.02 . 1221 104 104 TRP HE3 H 7.155 0.02 . 1222 104 104 TRP HZ2 H 7.224 0.02 . 1223 104 104 TRP HZ3 H 6.589 0.02 . 1224 104 104 TRP HH2 H 6.821 0.02 . 1225 104 104 TRP C C 176.019 0.05 . 1226 104 104 TRP CA C 55.494 0.05 . 1227 104 104 TRP CB C 29.782 0.05 . 1228 104 104 TRP CD1 C 127.889 0.05 . 1229 104 104 TRP CE3 C 120.364 0.05 . 1230 104 104 TRP CZ2 C 113.970 0.05 . 1231 104 104 TRP CZ3 C 121.726 0.05 . 1232 104 104 TRP CH2 C 124.268 0.05 . 1233 104 104 TRP N N 123.274 0.05 . 1234 104 104 TRP NE1 N 129.350 0.05 . 1235 105 105 LEU H H 9.017 0.02 . 1236 105 105 LEU HA H 4.872 0.02 . 1237 105 105 LEU HB2 H 1.567 0.02 . 1238 105 105 LEU HB3 H 1.603 0.02 . 1239 105 105 LEU HG H 1.557 0.02 . 1240 105 105 LEU HD1 H 0.738 0.02 . 1241 105 105 LEU HD2 H 0.738 0.02 . 1242 105 105 LEU C C 176.759 0.05 . 1243 105 105 LEU CA C 53.671 0.05 . 1244 105 105 LEU CB C 45.893 0.05 . 1245 105 105 LEU CG C 28.420 0.05 . 1246 105 105 LEU CD1 C 24.860 0.05 . 1247 105 105 LEU N N 126.641 0.05 . 1248 106 106 SER H H 9.020 0.02 . 1249 106 106 SER HA H 4.744 0.02 . 1250 106 106 SER HB2 H 3.990 0.02 . 1251 106 106 SER HB3 H 4.012 0.02 . 1252 106 106 SER C C 175.741 0.05 . 1253 106 106 SER CA C 59.134 0.05 . 1254 106 106 SER CB C 64.054 0.05 . 1255 106 106 SER N N 116.722 0.05 . 1256 107 107 ILE H H 8.526 0.02 . 1257 107 107 ILE HA H 3.587 0.02 . 1258 107 107 ILE HB H 1.811 0.02 . 1259 107 107 ILE HG12 H 1.016 0.02 . 1260 107 107 ILE HG13 H 1.663 0.02 . 1261 107 107 ILE HG2 H 0.982 0.02 . 1262 107 107 ILE HD1 H 1.000 0.02 . 1263 107 107 ILE C C 176.151 0.05 . 1264 107 107 ILE CA C 65.335 0.05 . 1265 107 107 ILE CB C 38.611 0.05 . 1266 107 107 ILE CG1 C 29.787 0.05 . 1267 107 107 ILE CG2 C 18.172 0.05 . 1268 107 107 ILE CD1 C 14.033 0.05 . 1269 107 107 ILE N N 123.132 0.05 . 1270 108 108 ASN H H 7.921 0.02 . 1271 108 108 ASN HA H 4.575 0.02 . 1272 108 108 ASN HB2 H 2.865 0.02 . 1273 108 108 ASN HB3 H 2.837 0.02 . 1274 108 108 ASN HD21 H 6.955 0.02 . 1275 108 108 ASN HD22 H 7.742 0.02 . 1276 108 108 ASN C C 175.701 0.05 . 1277 108 108 ASN CA C 54.358 0.05 . 1278 108 108 ASN CB C 38.034 0.05 . 1279 108 108 ASN N N 111.249 0.05 . 1280 108 108 ASN ND2 N 112.559 0.05 . 1281 109 109 GLU H H 7.838 0.02 . 1282 109 109 GLU HA H 4.664 0.02 . 1283 109 109 GLU HB2 H 2.112 0.02 . 1284 109 109 GLU HB3 H 2.162 0.02 . 1285 109 109 GLU HG2 H 2.242 0.02 . 1286 109 109 GLU HG3 H 2.242 0.02 . 1287 109 109 GLU C C 176.893 0.05 . 1288 109 109 GLU CA C 55.313 0.05 . 1289 109 109 GLU CB C 31.280 0.05 . 1290 109 109 GLU CG C 36.250 0.05 . 1291 109 109 GLU N N 117.033 0.05 . 1292 110 110 LEU H H 7.227 0.02 . 1293 110 110 LEU HA H 4.007 0.02 . 1294 110 110 LEU HB2 H 2.075 0.02 . 1295 110 110 LEU HB3 H 1.693 0.02 . 1296 110 110 LEU HG H 2.202 0.02 . 1297 110 110 LEU HD1 H 0.926 0.02 . 1298 110 110 LEU HD2 H 0.926 0.02 . 1299 110 110 LEU C C 177.389 0.05 . 1300 110 110 LEU CA C 58.296 0.05 . 1301 110 110 LEU CB C 42.441 0.05 . 1302 110 110 LEU CG C 26.243 0.05 . 1303 110 110 LEU CD1 C 24.330 0.05 . 1304 110 110 LEU N N 117.506 0.05 . 1305 111 111 ASP H H 8.041 0.02 . 1306 111 111 ASP HA H 4.409 0.02 . 1307 111 111 ASP HB2 H 2.987 0.02 . 1308 111 111 ASP HB3 H 2.476 0.02 . 1309 111 111 ASP C C 176.681 0.05 . 1310 111 111 ASP CA C 54.340 0.05 . 1311 111 111 ASP CB C 39.276 0.05 . 1312 111 111 ASP N N 113.159 0.05 . 1313 112 112 LYS H H 7.712 0.02 . 1314 112 112 LYS HA H 4.178 0.02 . 1315 112 112 LYS HB2 H 1.800 0.02 . 1316 112 112 LYS HB3 H 1.857 0.02 . 1317 112 112 LYS HG2 H 1.511 0.02 . 1318 112 112 LYS HG3 H 1.260 0.02 . 1319 112 112 LYS HD2 H 1.539 0.02 . 1320 112 112 LYS HD3 H 1.597 0.02 . 1321 112 112 LYS HE2 H 2.898 0.02 . 1322 112 112 LYS HE3 H 2.898 0.02 . 1323 112 112 LYS C C 176.822 0.05 . 1324 112 112 LYS CA C 57.269 0.05 . 1325 112 112 LYS CB C 32.209 0.05 . 1326 112 112 LYS CG C 24.570 0.05 . 1327 112 112 LYS CD C 29.050 0.05 . 1328 112 112 LYS CE C 41.960 0.05 . 1329 112 112 LYS N N 118.411 0.05 . 1330 113 113 LEU H H 6.690 0.02 . 1331 113 113 LEU HA H 3.879 0.02 . 1332 113 113 LEU HB2 H 0.478 0.02 . 1333 113 113 LEU HB3 H -0.284 0.02 . 1334 113 113 LEU HG H 0.764 0.02 . 1335 113 113 LEU HD1 H -0.645 0.02 . 1336 113 113 LEU HD2 H -0.518 0.02 . 1337 113 113 LEU C C 175.410 0.05 . 1338 113 113 LEU CA C 53.276 0.05 . 1339 113 113 LEU CB C 41.507 0.05 . 1340 113 113 LEU CG C 24.900 0.05 . 1341 113 113 LEU CD1 C 20.156 0.05 . 1342 113 113 LEU CD2 C 24.856 0.05 . 1343 113 113 LEU N N 117.525 0.05 . 1344 114 114 ASN H H 7.563 0.02 . 1345 114 114 ASN HA H 4.912 0.02 . 1346 114 114 ASN HB2 H 2.764 0.02 . 1347 114 114 ASN HB3 H 3.051 0.02 . 1348 114 114 ASN HD21 H 7.616 0.02 . 1349 114 114 ASN HD22 H 6.970 0.02 . 1350 114 114 ASN C C 174.263 0.05 . 1351 114 114 ASN CA C 51.458 0.05 . 1352 114 114 ASN CB C 37.238 0.05 . 1353 114 114 ASN N N 117.382 0.05 . 1354 114 114 ASN ND2 N 113.013 0.05 . 1355 115 115 TRP H H 7.820 0.02 . 1356 115 115 TRP HA H 4.441 0.02 . 1357 115 115 TRP HB2 H 3.026 0.02 . 1358 115 115 TRP HB3 H 2.722 0.02 . 1359 115 115 TRP HD1 H 7.156 0.02 . 1360 115 115 TRP HE1 H 10.451 0.02 . 1361 115 115 TRP HE3 H 7.024 0.02 . 1362 115 115 TRP HZ2 H 7.202 0.02 . 1363 115 115 TRP HZ3 H 6.589 0.02 . 1364 115 115 TRP HH2 H 6.677 0.02 . 1365 115 115 TRP C C 176.792 0.05 . 1366 115 115 TRP CA C 57.915 0.05 . 1367 115 115 TRP CB C 30.871 0.05 . 1368 115 115 TRP CD1 C 126.057 0.05 . 1369 115 115 TRP CE3 C 119.246 0.05 . 1370 115 115 TRP CZ2 C 113.991 0.05 . 1371 115 115 TRP CZ3 C 121.742 0.05 . 1372 115 115 TRP CH2 C 124.871 0.05 . 1373 115 115 TRP N N 125.999 0.05 . 1374 115 115 TRP NE1 N 129.087 0.05 . 1375 116 116 ALA H H 9.843 0.02 . 1376 116 116 ALA HA H 4.752 0.02 . 1377 116 116 ALA HB H 1.549 0.02 . 1378 116 116 ALA CA C 50.712 0.05 . 1379 116 116 ALA CB C 16.428 0.05 . 1380 116 116 ALA N N 126.197 0.05 . 1381 117 117 PRO HA H 4.037 0.02 . 1382 117 117 PRO HB2 H 0.901 0.02 . 1383 117 117 PRO HB3 H 2.015 0.02 . 1384 117 117 PRO HG2 H 1.851 0.02 . 1385 117 117 PRO HG3 H 2.069 0.02 . 1386 117 117 PRO HD2 H 4.100 0.02 . 1387 117 117 PRO HD3 H 4.122 0.02 . 1388 117 117 PRO C C 179.363 0.05 . 1389 117 117 PRO CA C 65.648 0.05 . 1390 117 117 PRO CB C 31.347 0.05 . 1391 117 117 PRO CG C 27.608 0.05 . 1392 117 117 PRO CD C 50.502 0.05 . 1393 118 118 ALA H H 7.733 0.02 . 1394 118 118 ALA HA H 3.789 0.02 . 1395 118 118 ALA HB H 1.430 0.02 . 1396 118 118 ALA C C 176.317 0.05 . 1397 118 118 ALA CA C 54.437 0.05 . 1398 118 118 ALA CB C 18.258 0.05 . 1399 118 118 ALA N N 115.715 0.05 . 1400 119 119 ASP H H 8.308 0.02 . 1401 119 119 ASP HA H 4.335 0.02 . 1402 119 119 ASP HB2 H 2.632 0.02 . 1403 119 119 ASP HB3 H 3.197 0.02 . 1404 119 119 ASP C C 174.945 0.05 . 1405 119 119 ASP CA C 54.640 0.05 . 1406 119 119 ASP CB C 39.858 0.05 . 1407 119 119 ASP N N 113.009 0.05 . 1408 120 120 ILE H H 7.335 0.02 . 1409 120 120 ILE HA H 3.292 0.02 . 1410 120 120 ILE HB H 2.074 0.02 . 1411 120 120 ILE HG12 H 1.853 0.02 . 1412 120 120 ILE HG13 H 0.923 0.02 . 1413 120 120 ILE HG2 H 0.831 0.02 . 1414 120 120 ILE HD1 H 0.968 0.02 . 1415 120 120 ILE CA C 67.106 0.05 . 1416 120 120 ILE CB C 35.713 0.05 . 1417 120 120 ILE CG1 C 30.016 0.05 . 1418 120 120 ILE CG2 C 17.180 0.05 . 1419 120 120 ILE CD1 C 12.807 0.05 . 1420 120 120 ILE N N 119.051 0.05 . 1421 121 121 PRO HA H 4.237 0.02 . 1422 121 121 PRO HB2 H 1.692 0.02 . 1423 121 121 PRO HB3 H 2.305 0.02 . 1424 121 121 PRO HG2 H 2.213 0.02 . 1425 121 121 PRO HG3 H 1.918 0.02 . 1426 121 121 PRO HD2 H 3.503 0.02 . 1427 121 121 PRO HD3 H 3.734 0.02 . 1428 121 121 PRO C C 179.287 0.05 . 1429 121 121 PRO CA C 66.147 0.05 . 1430 121 121 PRO CB C 30.942 0.05 . 1431 121 121 PRO CG C 28.660 0.05 . 1432 121 121 PRO CD C 49.040 0.05 . 1433 122 122 ALA H H 7.554 0.02 . 1434 122 122 ALA HA H 3.765 0.02 . 1435 122 122 ALA HB H 1.426 0.02 . 1436 122 122 ALA C C 178.400 0.05 . 1437 122 122 ALA CA C 55.704 0.05 . 1438 122 122 ALA CB C 18.340 0.05 . 1439 122 122 ALA N N 121.297 0.05 . 1440 123 123 VAL H H 7.569 0.02 . 1441 123 123 VAL HA H 3.024 0.02 . 1442 123 123 VAL HB H 1.805 0.02 . 1443 123 123 VAL HG1 H 0.351 0.02 . 1444 123 123 VAL HG2 H -0.728 0.02 . 1445 123 123 VAL C C 177.920 0.05 . 1446 123 123 VAL CA C 67.155 0.05 . 1447 123 123 VAL CB C 31.034 0.05 . 1448 123 123 VAL CG1 C 20.796 0.05 . 1449 123 123 VAL CG2 C 20.605 0.05 . 1450 123 123 VAL N N 119.087 0.05 . 1451 124 124 ASN H H 8.390 0.02 . 1452 124 124 ASN HA H 4.278 0.02 . 1453 124 124 ASN HB2 H 2.703 0.02 . 1454 124 124 ASN HB3 H 2.703 0.02 . 1455 124 124 ASN HD21 H 7.442 0.02 . 1456 124 124 ASN HD22 H 6.794 0.02 . 1457 124 124 ASN C C 178.083 0.05 . 1458 124 124 ASN CA C 56.045 0.05 . 1459 124 124 ASN CB C 38.157 0.05 . 1460 124 124 ASN N N 115.551 0.05 . 1461 124 124 ASN ND2 N 110.931 0.05 . 1462 125 125 LYS H H 8.035 0.02 . 1463 125 125 LYS HA H 3.974 0.02 . 1464 125 125 LYS HB2 H 1.781 0.02 . 1465 125 125 LYS HB3 H 1.781 0.02 . 1466 125 125 LYS HG2 H 1.268 0.02 . 1467 125 125 LYS HG3 H 1.507 0.02 . 1468 125 125 LYS HD2 H 1.479 0.02 . 1469 125 125 LYS HD3 H 1.593 0.02 . 1470 125 125 LYS HE2 H 3.047 0.02 . 1471 125 125 LYS HE3 H 2.972 0.02 . 1472 125 125 LYS C C 178.873 0.05 . 1473 125 125 LYS CA C 59.588 0.05 . 1474 125 125 LYS CB C 32.349 0.05 . 1475 125 125 LYS CG C 25.100 0.05 . 1476 125 125 LYS CD C 29.170 0.05 . 1477 125 125 LYS CE C 42.160 0.05 . 1478 125 125 LYS N N 122.108 0.05 . 1479 126 126 ILE H H 8.271 0.02 . 1480 126 126 ILE HA H 3.942 0.02 . 1481 126 126 ILE HB H 2.141 0.02 . 1482 126 126 ILE HG12 H 1.793 0.02 . 1483 126 126 ILE HG13 H 1.248 0.02 . 1484 126 126 ILE HG2 H 0.913 0.02 . 1485 126 126 ILE HD1 H 0.805 0.02 . 1486 126 126 ILE C C 178.771 0.05 . 1487 126 126 ILE CA C 62.238 0.05 . 1488 126 126 ILE CB C 36.097 0.05 . 1489 126 126 ILE CG1 C 27.010 0.05 . 1490 126 126 ILE CG2 C 18.304 0.05 . 1491 126 126 ILE CD1 C 11.138 0.05 . 1492 126 126 ILE N N 118.433 0.05 . 1493 127 127 MET H H 8.250 0.02 . 1494 127 127 MET HA H 3.966 0.02 . 1495 127 127 MET HB2 H 2.048 0.02 . 1496 127 127 MET HB3 H 2.232 0.02 . 1497 127 127 MET HG2 H 2.785 0.02 . 1498 127 127 MET HG3 H 2.913 0.02 . 1499 127 127 MET HE H 1.402 0.02 . 1500 127 127 MET C C 178.078 0.05 . 1501 127 127 MET CA C 59.886 0.05 . 1502 127 127 MET CB C 33.766 0.05 . 1503 127 127 MET CG C 32.502 0.05 . 1504 127 127 MET CE C 19.341 0.05 . 1505 127 127 MET N N 116.933 0.05 . 1506 128 128 THR H H 7.752 0.02 . 1507 128 128 THR HA H 4.281 0.02 . 1508 128 128 THR HB H 4.320 0.02 . 1509 128 128 THR HG2 H 1.278 0.02 . 1510 128 128 THR C C 175.541 0.05 . 1511 128 128 THR CA C 63.865 0.05 . 1512 128 128 THR CB C 70.038 0.05 . 1513 128 128 THR CG2 C 21.500 0.05 . 1514 128 128 THR N N 110.072 0.05 . 1515 129 129 GLU H H 7.887 0.02 . 1516 129 129 GLU HA H 4.306 0.02 . 1517 129 129 GLU HB2 H 2.077 0.02 . 1518 129 129 GLU HB3 H 2.125 0.02 . 1519 129 129 GLU HG2 H 2.429 0.02 . 1520 129 129 GLU HG3 H 2.255 0.02 . 1521 129 129 GLU C C 176.724 0.05 . 1522 129 129 GLU CA C 57.519 0.05 . 1523 129 129 GLU CB C 30.300 0.05 . 1524 129 129 GLU CG C 36.360 0.05 . 1525 129 129 GLU N N 121.648 0.05 . 1526 130 130 GLY H H 7.875 0.02 . 1527 130 130 GLY HA2 H 3.761 0.02 . 1528 130 130 GLY HA3 H 3.761 0.02 . 1529 130 130 GLY CA C 46.465 0.05 . 1530 130 130 GLY N N 114.644 0.05 . stop_ save_