data_30134 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Recognition and targeting mechanisms by chaperones in flagella assembly and operation ; _BMRB_accession_number 30134 _BMRB_flat_file_name bmr30134.str _Entry_type original _Submission_date 2016-07-07 _Accession_date 2016-07-07 _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 Khanra N. K. . 2 Rossi P. . . 3 Economou A. . . 4 Kalodimos C. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 570 "13C chemical shifts" 528 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-23 update BMRB 'update entry citation' 2016-08-11 original author 'original release' stop_ _Original_release_date 2016-08-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Recognition and targeting mechanisms by chaperones in flagellum assembly and operation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27528687 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Khanra N. K. . 2 Rossi P. . . 3 Economou A. . . 4 Kalodimos C. G. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 113 _Journal_issue 35 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9798 _Page_last 9803 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Flagellar protein FliT,Flagellar hook-associated protein 2' _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 17387.732 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; MTSTVEFINRWQRIALLSQS LLELAQRGEWDLLLQQEVSY LQSIETVMEKQTPPGITRSI QDMVAGYIKQTLDNEQLLKG LLQQRLDELSSLIGQVLFQG PSAGLVPRGSGGIEGSIDET VARYKAQFTQLDTMMSKLNN TSSYLTQQFTAMNKS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 SER 4 THR 5 VAL 6 GLU 7 PHE 8 ILE 9 ASN 10 ARG 11 TRP 12 GLN 13 ARG 14 ILE 15 ALA 16 LEU 17 LEU 18 SER 19 GLN 20 SER 21 LEU 22 LEU 23 GLU 24 LEU 25 ALA 26 GLN 27 ARG 28 GLY 29 GLU 30 TRP 31 ASP 32 LEU 33 LEU 34 LEU 35 GLN 36 GLN 37 GLU 38 VAL 39 SER 40 TYR 41 LEU 42 GLN 43 SER 44 ILE 45 GLU 46 THR 47 VAL 48 MET 49 GLU 50 LYS 51 GLN 52 THR 53 PRO 54 PRO 55 GLY 56 ILE 57 THR 58 ARG 59 SER 60 ILE 61 GLN 62 ASP 63 MET 64 VAL 65 ALA 66 GLY 67 TYR 68 ILE 69 LYS 70 GLN 71 THR 72 LEU 73 ASP 74 ASN 75 GLU 76 GLN 77 LEU 78 LEU 79 LYS 80 GLY 81 LEU 82 LEU 83 GLN 84 GLN 85 ARG 86 LEU 87 ASP 88 GLU 89 LEU 90 SER 91 SER 92 LEU 93 ILE 94 GLY 95 GLN 96 VAL 97 LEU 98 PHE 99 GLN 100 GLY 101 PRO 102 SER 103 ALA 104 GLY 105 LEU 106 VAL 107 PRO 108 ARG 109 GLY 110 SER 111 GLY 112 GLY 113 ILE 114 GLU 115 GLY 116 SER 117 ILE 118 ASP 119 GLU 120 THR 121 VAL 122 ALA 123 ARG 124 TYR 125 LYS 126 ALA 127 GLN 128 PHE 129 THR 130 GLN 131 LEU 132 ASP 133 THR 134 MET 135 MET 136 SER 137 LYS 138 LEU 139 ASN 140 ASN 141 THR 142 SER 143 SER 144 TYR 145 LEU 146 THR 147 GLN 148 GLN 149 PHE 150 THR 151 ALA 152 MET 153 ASN 154 LYS 155 SER 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 _Strain _Gene_mnemonic $entity_1 'Salmonella enterica' 99287 Bacteria . Salmonella typhimurium 'LT2 / SGSC1412 / ATCC 700720' 'fliT, STM1962' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . 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; U-99% 2H] FliT-FliD_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_1 1 mM '[U-99% 13C; U-99% 15N; U-99% 2H]' beta-mercaptoethanol 5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1 mM U[15N,2H] 1H-13C-ILVMAT-methyl FliT-FliD_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_1 1 mM 'U[15N,2H] 1H-13C-ILVMAT-methyl' beta-mercaptoethanol 5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-99% 13C; U-99% 15N] FliT-FliD_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_1 1 mM '[U-99% 13C; U-99% 15N]' beta-mercaptoethanol 5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_8 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_9 _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_10 _Saveframe_category software _Name pdbstat _Version 1.5 loop_ _Vendor _Address _Electronic_address 'tejero and montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 305 . 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 . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_ _Software_label $software_7 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCACB' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 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 HE H 2.171 0.000 1 2 1 1 MET CE C 17.057 0.000 1 3 3 3 SER H H 7.925 0.000 1 4 3 3 SER N N 122.937 0.000 1 5 4 4 THR HA H 4.314 0.000 1 6 4 4 THR HB H 3.894 0.000 1 7 4 4 THR HG2 H 1.349 0.000 1 8 4 4 THR C C 174.679 0.000 1 9 4 4 THR CA C 67.140 0.045 1 10 4 4 THR CB C 68.500 0.000 1 11 4 4 THR CG2 C 22.968 0.000 1 12 5 5 VAL H H 7.829 0.000 1 13 5 5 VAL HA H 3.660 0.009 1 14 5 5 VAL HB H 2.164 0.008 1 15 5 5 VAL HG1 H 1.150 0.025 2 16 5 5 VAL HG2 H 1.056 0.017 2 17 5 5 VAL C C 176.889 0.009 1 18 5 5 VAL CA C 66.809 0.036 1 19 5 5 VAL CB C 31.585 0.083 1 20 5 5 VAL CG1 C 23.348 0.250 1 21 5 5 VAL CG2 C 21.575 0.215 1 22 5 5 VAL N N 121.364 0.000 1 23 6 6 GLU H H 8.100 0.000 1 24 6 6 GLU HA H 3.964 0.000 1 25 6 6 GLU HB2 H 2.104 0.000 2 26 6 6 GLU HB3 H 2.104 0.000 2 27 6 6 GLU C C 177.356 0.035 1 28 6 6 GLU CA C 59.793 0.047 1 29 6 6 GLU CB C 29.432 0.045 1 30 6 6 GLU N N 119.977 0.000 1 31 7 7 PHE H H 7.870 0.003 1 32 7 7 PHE HA H 4.384 0.000 1 33 7 7 PHE HB2 H 3.438 0.014 2 34 7 7 PHE HB3 H 3.444 0.021 2 35 7 7 PHE HD1 H 7.454 0.000 1 36 7 7 PHE HE1 H 7.590 0.000 1 37 7 7 PHE HZ H 7.582 0.000 1 38 7 7 PHE C C 175.850 0.009 1 39 7 7 PHE CA C 61.458 0.043 1 40 7 7 PHE CB C 40.120 0.083 1 41 7 7 PHE CD1 C 132.595 0.000 1 42 7 7 PHE CE1 C 131.859 0.000 1 43 7 7 PHE CZ C 130.536 0.000 1 44 7 7 PHE N N 120.161 0.000 1 45 8 8 ILE H H 8.195 0.004 1 46 8 8 ILE HA H 3.614 0.007 1 47 8 8 ILE HB H 2.057 0.007 1 48 8 8 ILE HG12 H 2.090 0.000 2 49 8 8 ILE HG13 H 2.106 0.002 2 50 8 8 ILE HG2 H 1.135 0.002 1 51 8 8 ILE HD1 H 1.073 0.003 1 52 8 8 ILE C C 176.982 0.020 1 53 8 8 ILE CA C 65.977 0.144 1 54 8 8 ILE CB C 38.627 0.174 1 55 8 8 ILE CG1 C 29.027 0.035 1 56 8 8 ILE CG2 C 18.199 0.041 1 57 8 8 ILE CD1 C 14.718 0.039 1 58 8 8 ILE N N 117.877 0.000 1 59 9 9 ASN H H 8.473 0.000 1 60 9 9 ASN HB2 H 2.781 0.238 1 61 9 9 ASN HB3 H 2.781 0.116 1 62 9 9 ASN C C 177.470 0.044 1 63 9 9 ASN CA C 56.409 0.093 1 64 9 9 ASN CB C 38.365 0.048 1 65 9 9 ASN N N 117.531 0.000 1 66 10 10 ARG H H 8.372 0.000 1 67 10 10 ARG HA H 3.910 0.000 1 68 10 10 ARG C C 178.377 0.000 1 69 10 10 ARG CA C 59.962 0.124 1 70 10 10 ARG CB C 29.414 0.041 1 71 10 10 ARG N N 119.787 0.000 1 72 11 11 TRP H H 7.282 0.000 1 73 11 11 TRP HA H 4.447 0.000 1 74 11 11 TRP HB2 H 3.298 0.238 2 75 11 11 TRP HB3 H 3.420 0.116 2 76 11 11 TRP HD1 H 6.140 0.001 1 77 11 11 TRP HE1 H 9.171 0.008 1 78 11 11 TRP HE3 H 7.553 0.000 1 79 11 11 TRP HZ2 H 7.564 0.005 1 80 11 11 TRP HZ3 H 6.989 0.000 1 81 11 11 TRP HH2 H 7.075 0.000 1 82 11 11 TRP C C 177.100 0.009 1 83 11 11 TRP CA C 60.924 0.061 1 84 11 11 TRP CB C 29.933 0.139 1 85 11 11 TRP CD1 C 126.692 0.000 1 86 11 11 TRP CE3 C 120.719 0.000 1 87 11 11 TRP CZ2 C 114.952 0.000 1 88 11 11 TRP CZ3 C 121.793 0.000 1 89 11 11 TRP CH2 C 123.547 0.000 1 90 11 11 TRP N N 119.454 0.000 1 91 11 11 TRP NE1 N 126.003 0.000 1 92 12 12 GLN H H 8.529 0.000 1 93 12 12 GLN C C 177.320 0.000 1 94 12 12 GLN CA C 59.231 0.056 1 95 12 12 GLN CB C 28.380 0.093 1 96 12 12 GLN N N 121.039 0.000 1 97 13 13 ARG H H 7.899 0.000 1 98 13 13 ARG HA H 3.964 0.000 1 99 13 13 ARG C C 177.549 0.000 1 100 13 13 ARG CA C 59.476 0.093 1 101 13 13 ARG CB C 29.247 0.033 1 102 13 13 ARG N N 118.269 0.000 1 103 14 14 ILE H H 7.517 0.000 1 104 14 14 ILE HA H 3.659 0.000 1 105 14 14 ILE HB H 1.995 0.012 1 106 14 14 ILE HG12 H 0.804 0.006 2 107 14 14 ILE HG13 H 1.536 0.002 2 108 14 14 ILE HG2 H 1.209 0.005 1 109 14 14 ILE HD1 H 0.112 0.007 1 110 14 14 ILE CA C 66.320 0.109 1 111 14 14 ILE CB C 38.488 0.117 1 112 14 14 ILE CG1 C 30.173 0.057 1 113 14 14 ILE CG2 C 18.315 0.060 1 114 14 14 ILE CD1 C 14.210 0.077 1 115 14 14 ILE N N 120.885 0.000 1 116 15 15 ALA H H 8.850 0.000 1 117 15 15 ALA HB H 1.606 0.000 1 118 15 15 ALA CB C 17.773 0.000 1 119 15 15 ALA N N 122.579 0.000 1 120 16 16 LEU H H 8.259 0.000 1 121 16 16 LEU HD1 H 0.875 0.000 2 122 16 16 LEU HD2 H 0.888 0.000 2 123 16 16 LEU CD1 C 25.200 0.000 1 124 16 16 LEU CD2 C 23.468 0.000 1 125 16 16 LEU N N 120.667 0.000 1 126 18 18 SER H H 9.017 0.000 1 127 18 18 SER HA H 4.314 0.000 1 128 18 18 SER HB2 H 3.840 0.000 2 129 18 18 SER HB3 H 3.840 0.000 2 130 18 18 SER C C 174.943 0.000 1 131 18 18 SER CA C 63.139 0.044 1 132 18 18 SER N N 116.706 0.000 1 133 19 19 GLN H H 7.532 0.000 1 134 19 19 GLN HA H 3.886 0.000 1 135 19 19 GLN HB2 H 2.174 0.000 2 136 19 19 GLN HB3 H 2.174 0.000 2 137 19 19 GLN C C 176.722 0.000 1 138 19 19 GLN CA C 58.977 0.064 1 139 19 19 GLN CB C 28.167 0.087 1 140 19 19 GLN N N 123.795 0.000 1 141 20 20 SER H H 7.989 0.000 1 142 20 20 SER HA H 4.260 0.000 1 143 20 20 SER HB2 H 4.042 0.000 2 144 20 20 SER HB3 H 4.042 0.000 2 145 20 20 SER C C 175.859 0.000 1 146 20 20 SER CA C 61.704 0.192 1 147 20 20 SER CB C 62.751 0.021 1 148 20 20 SER N N 115.841 0.000 1 149 21 21 LEU H H 8.203 0.000 1 150 21 21 LEU HA H 4.244 0.000 1 151 21 21 LEU HB2 H 2.096 0.000 2 152 21 21 LEU HB3 H 2.096 0.000 2 153 21 21 LEU HD1 H 0.332 0.000 2 154 21 21 LEU HD2 H 0.594 0.000 2 155 21 21 LEU C C 177.039 0.000 1 156 21 21 LEU CA C 58.512 0.099 1 157 21 21 LEU CB C 41.374 0.045 1 158 21 21 LEU CD1 C 25.045 0.000 1 159 21 21 LEU CD2 C 23.932 0.000 1 160 21 21 LEU N N 119.631 0.000 1 161 22 22 LEU H H 7.543 0.003 1 162 22 22 LEU HD1 H 0.927 0.000 2 163 22 22 LEU HD2 H 0.896 0.000 2 164 22 22 LEU C C 177.144 0.000 1 165 22 22 LEU CA C 58.608 0.062 1 166 22 22 LEU CB C 41.329 0.033 1 167 22 22 LEU CD1 C 26.397 0.000 1 168 22 22 LEU CD2 C 23.743 0.000 1 169 22 22 LEU N N 118.311 0.107 1 170 23 23 GLU H H 8.159 0.000 1 171 23 23 GLU HA H 3.987 0.000 1 172 23 23 GLU HB2 H 2.011 0.000 2 173 23 23 GLU HB3 H 2.104 0.000 2 174 23 23 GLU C C 178.430 0.000 1 175 23 23 GLU CA C 59.675 0.098 1 176 23 23 GLU CB C 29.022 0.278 1 177 23 23 GLU N N 118.279 0.000 1 178 24 24 LEU H H 7.800 0.000 1 179 24 24 LEU HD1 H 0.784 0.000 2 180 24 24 LEU HD2 H 0.683 0.000 2 181 24 24 LEU C C 178.130 0.000 1 182 24 24 LEU CA C 58.265 0.056 1 183 24 24 LEU CB C 41.699 0.140 1 184 24 24 LEU CD1 C 22.934 0.000 1 185 24 24 LEU CD2 C 25.566 0.000 1 186 24 24 LEU N N 118.237 0.000 1 187 25 25 ALA H H 7.911 0.002 1 188 25 25 ALA HA H 3.012 0.004 1 189 25 25 ALA HB H 1.358 0.004 1 190 25 25 ALA C C 179.808 0.006 1 191 25 25 ALA CA C 54.761 0.231 1 192 25 25 ALA CB C 19.224 0.157 1 193 25 25 ALA N N 121.148 0.000 1 194 26 26 GLN H H 8.755 0.001 1 195 26 26 GLN HA H 3.855 0.000 1 196 26 26 GLN HB2 H 1.769 0.000 2 197 26 26 GLN HB3 H 1.769 0.000 2 198 26 26 GLN C C 177.083 0.018 1 199 26 26 GLN CA C 59.023 0.097 1 200 26 26 GLN CB C 28.252 0.134 1 201 26 26 GLN N N 119.366 0.000 1 202 27 27 ARG H H 7.412 0.000 1 203 27 27 ARG HA H 4.229 0.000 1 204 27 27 ARG HB2 H 1.909 0.094 2 205 27 27 ARG HB3 H 1.944 0.060 2 206 27 27 ARG C C 175.216 0.009 1 207 27 27 ARG CA C 56.576 0.152 1 208 27 27 ARG CB C 31.083 0.147 1 209 27 27 ARG N N 115.328 0.000 1 210 28 28 GLY H H 7.450 0.000 1 211 28 28 GLY HA2 H 3.848 0.008 2 212 28 28 GLY HA3 H 3.848 0.008 2 213 28 28 GLY C C 173.796 0.004 1 214 28 28 GLY CA C 45.972 0.050 1 215 28 28 GLY N N 109.204 0.000 1 216 29 29 GLU H H 7.587 0.000 1 217 29 29 GLU HA H 4.454 0.000 1 218 29 29 GLU C C 175.965 0.000 1 219 29 29 GLU CA C 53.790 0.056 1 220 29 29 GLU CB C 27.031 0.075 1 221 29 29 GLU N N 121.281 0.000 1 222 30 30 TRP H H 6.890 0.000 1 223 30 30 TRP HA H 4.003 0.000 1 224 30 30 TRP HD1 H 7.399 0.000 1 225 30 30 TRP HE1 H 10.650 0.000 1 226 30 30 TRP HE3 H 7.409 0.000 1 227 30 30 TRP HZ2 H 7.635 0.000 1 228 30 30 TRP HZ3 H 6.735 0.000 1 229 30 30 TRP HH2 H 6.960 0.000 1 230 30 30 TRP C C 176.625 0.046 1 231 30 30 TRP CA C 59.821 0.041 1 232 30 30 TRP CB C 30.119 0.073 1 233 30 30 TRP CD1 C 128.943 0.000 1 234 30 30 TRP CE3 C 120.576 0.000 1 235 30 30 TRP CZ2 C 115.086 0.000 1 236 30 30 TRP CZ3 C 120.314 0.000 1 237 30 30 TRP CH2 C 125.119 0.000 1 238 30 30 TRP N N 120.165 0.000 1 239 30 30 TRP NE1 N 129.300 0.000 1 240 31 31 ASP H H 8.271 0.000 1 241 31 31 ASP HA H 4.579 0.000 1 242 31 31 ASP HB2 H 2.135 0.000 2 243 31 31 ASP HB3 H 2.625 0.000 2 244 31 31 ASP C C 178.561 0.009 1 245 31 31 ASP CA C 58.127 0.114 1 246 31 31 ASP CB C 40.461 0.078 1 247 31 31 ASP N N 115.936 0.000 1 248 32 32 LEU H H 7.950 0.000 1 249 32 32 LEU HA H 4.392 0.000 1 250 32 32 LEU HB2 H 1.894 0.000 2 251 32 32 LEU HB3 H 1.894 0.000 2 252 32 32 LEU HD1 H 0.877 0.000 2 253 32 32 LEU HD2 H 0.843 0.000 2 254 32 32 LEU C C 178.655 0.039 1 255 32 32 LEU CA C 57.897 0.087 1 256 32 32 LEU CB C 41.497 0.106 1 257 32 32 LEU CD1 C 24.683 0.000 1 258 32 32 LEU CD2 C 23.159 0.000 1 259 32 32 LEU N N 121.258 0.000 1 260 33 33 LEU H H 8.434 0.000 1 261 33 33 LEU HD1 H 1.069 0.000 2 262 33 33 LEU HD2 H 1.000 0.000 2 263 33 33 LEU C C 177.324 0.037 1 264 33 33 LEU CA C 59.076 0.119 1 265 33 33 LEU CB C 41.364 0.033 1 266 33 33 LEU CD1 C 27.636 0.000 1 267 33 33 LEU CD2 C 27.261 0.000 1 268 33 33 LEU N N 121.926 0.000 1 269 34 34 LEU H H 7.923 0.000 1 270 34 34 LEU HA H 4.128 0.000 1 271 34 34 LEU HD1 H 0.970 0.000 2 272 34 34 LEU HD2 H 1.028 0.000 2 273 34 34 LEU C C 178.868 0.003 1 274 34 34 LEU CA C 58.003 0.092 1 275 34 34 LEU CB C 41.696 0.052 1 276 34 34 LEU CD1 C 24.074 0.000 1 277 34 34 LEU CD2 C 25.906 0.000 1 278 34 34 LEU N N 118.172 0.000 1 279 35 35 GLN H H 7.613 0.000 1 280 35 35 GLN C C 177.570 0.014 1 281 35 35 GLN CA C 58.576 0.055 1 282 35 35 GLN CB C 28.670 0.050 1 283 35 35 GLN N N 118.059 0.000 1 284 36 36 GLN H H 8.127 0.000 1 285 36 36 GLN HA H 4.486 0.000 1 286 36 36 GLN HB2 H 1.917 0.000 2 287 36 36 GLN HB3 H 1.917 0.000 2 288 36 36 GLN C C 176.524 0.050 1 289 36 36 GLN CA C 57.042 0.080 1 290 36 36 GLN CB C 28.986 0.129 1 291 36 36 GLN N N 118.630 0.000 1 292 37 37 GLU H H 8.209 0.000 1 293 37 37 GLU HA H 3.840 0.000 1 294 37 37 GLU HB2 H 2.330 0.000 2 295 37 37 GLU HB3 H 2.330 0.000 2 296 37 37 GLU C C 176.240 0.088 1 297 37 37 GLU CA C 60.542 0.104 1 298 37 37 GLU CB C 28.918 0.159 1 299 37 37 GLU N N 121.484 0.000 1 300 38 38 VAL H H 7.525 0.000 1 301 38 38 VAL HA H 3.675 0.008 1 302 38 38 VAL HB H 2.139 0.010 1 303 38 38 VAL HG1 H 1.134 0.005 2 304 38 38 VAL HG2 H 1.012 0.023 2 305 38 38 VAL C C 177.423 0.032 1 306 38 38 VAL CA C 66.696 0.078 1 307 38 38 VAL CB C 31.508 0.143 1 308 38 38 VAL CG1 C 22.411 0.022 1 309 38 38 VAL CG2 C 21.038 0.102 1 310 38 38 VAL N N 116.785 0.000 1 311 39 39 SER H H 7.598 0.000 1 312 39 39 SER C C 176.246 0.000 1 313 39 39 SER CA C 61.613 0.095 1 314 39 39 SER CB C 62.878 0.000 1 315 39 39 SER N N 114.707 0.000 1 316 40 40 TYR H H 7.976 0.001 1 317 40 40 TYR HA H 4.257 0.013 1 318 40 40 TYR HB2 H 2.997 0.010 2 319 40 40 TYR HB3 H 3.099 0.022 2 320 40 40 TYR HD1 H 6.814 0.005 1 321 40 40 TYR HE1 H 6.744 0.000 1 322 40 40 TYR C C 175.974 0.057 1 323 40 40 TYR CA C 61.968 0.147 1 324 40 40 TYR CB C 38.978 0.158 1 325 40 40 TYR CD1 C 131.908 0.000 1 326 40 40 TYR CE1 C 118.033 0.000 1 327 40 40 TYR N N 124.565 0.000 1 328 41 41 LEU H H 8.555 0.005 1 329 41 41 LEU HA H 3.746 0.000 1 330 41 41 LEU HB2 H 1.557 0.000 2 331 41 41 LEU HB3 H 1.930 0.000 2 332 41 41 LEU HD1 H 1.005 0.000 2 333 41 41 LEU HD2 H 0.921 0.000 2 334 41 41 LEU C C 179.214 0.051 1 335 41 41 LEU CA C 58.183 0.155 1 336 41 41 LEU CB C 40.326 0.202 1 337 41 41 LEU CD1 C 26.171 0.000 1 338 41 41 LEU CD2 C 22.640 0.000 1 339 41 41 LEU N N 118.759 0.000 1 340 42 42 GLN H H 8.343 0.002 1 341 42 42 GLN HA H 4.019 0.000 1 342 42 42 GLN HB2 H 2.096 0.000 2 343 42 42 GLN HB3 H 2.096 0.000 2 344 42 42 GLN C C 178.092 0.032 1 345 42 42 GLN CA C 59.164 0.039 1 346 42 42 GLN CB C 28.251 0.082 1 347 42 42 GLN N N 117.359 0.010 1 348 43 43 SER H H 7.851 0.000 1 349 43 43 SER HA H 4.314 0.000 1 350 43 43 SER HB2 H 3.832 0.000 2 351 43 43 SER HB3 H 3.832 0.000 2 352 43 43 SER C C 175.436 0.000 1 353 43 43 SER CA C 63.182 0.185 1 354 43 43 SER N N 117.617 0.000 1 355 44 44 ILE H H 7.540 0.008 1 356 44 44 ILE HA H 3.586 0.005 1 357 44 44 ILE HB H 1.673 0.004 1 358 44 44 ILE HG12 H 0.805 0.005 2 359 44 44 ILE HG13 H 1.243 0.002 2 360 44 44 ILE HG2 H 0.764 0.005 1 361 44 44 ILE HD1 H 0.581 0.004 1 362 44 44 ILE C C 176.118 0.034 1 363 44 44 ILE CA C 63.768 0.123 1 364 44 44 ILE CB C 36.903 0.216 1 365 44 44 ILE CG1 C 29.061 0.030 1 366 44 44 ILE CG2 C 17.278 0.059 1 367 44 44 ILE CD1 C 11.633 0.012 1 368 44 44 ILE N N 124.065 0.000 1 369 45 45 GLU H H 8.237 0.000 1 370 45 45 GLU HA H 3.793 0.000 1 371 45 45 GLU HB2 H 2.018 0.000 2 372 45 45 GLU HB3 H 2.018 0.000 2 373 45 45 GLU HG2 H 2.138 0.000 2 374 45 45 GLU HG3 H 2.367 0.000 2 375 45 45 GLU C C 178.333 0.009 1 376 45 45 GLU CA C 60.062 0.163 1 377 45 45 GLU CB C 29.023 0.084 1 378 45 45 GLU CG C 36.602 0.117 1 379 45 45 GLU N N 120.290 0.000 1 380 46 46 THR H H 7.751 0.000 1 381 46 46 THR HA H 4.096 0.000 1 382 46 46 THR HB H 3.956 0.000 1 383 46 46 THR HG2 H 1.148 0.000 1 384 46 46 THR C C 175.278 0.000 1 385 46 46 THR CA C 66.611 0.072 1 386 46 46 THR CB C 69.161 0.069 1 387 46 46 THR CG2 C 21.626 0.000 1 388 46 46 THR N N 112.290 0.000 1 389 47 47 VAL H H 7.118 0.001 1 390 47 47 VAL HA H 3.891 0.002 1 391 47 47 VAL HB H 1.838 0.003 1 392 47 47 VAL HG1 H 0.484 0.002 2 393 47 47 VAL HG2 H 0.454 0.004 2 394 47 47 VAL C C 176.924 0.027 1 395 47 47 VAL CA C 65.081 0.164 1 396 47 47 VAL CB C 31.291 0.107 1 397 47 47 VAL CG1 C 22.160 0.069 1 398 47 47 VAL CG2 C 21.248 0.082 1 399 47 47 VAL N N 118.006 0.000 1 400 48 48 MET H H 7.754 0.004 1 401 48 48 MET HA H 3.990 0.011 1 402 48 48 MET HB2 H 1.794 0.033 2 403 48 48 MET HB3 H 1.829 0.003 2 404 48 48 MET HG3 H 2.211 0.000 2 405 48 48 MET HE H 1.744 0.000 1 406 48 48 MET C C 176.637 0.030 1 407 48 48 MET CA C 58.809 0.113 1 408 48 48 MET CB C 32.799 0.174 1 409 48 48 MET CG C 31.325 0.115 1 410 48 48 MET CE C 16.436 0.000 1 411 48 48 MET N N 119.842 0.000 1 412 49 49 GLU H H 7.405 0.001 1 413 49 49 GLU HA H 4.244 0.000 1 414 49 49 GLU HB2 H 2.042 0.000 2 415 49 49 GLU HB3 H 2.120 0.000 2 416 49 49 GLU C C 175.880 0.028 1 417 49 49 GLU CA C 57.244 0.044 1 418 49 49 GLU CB C 30.151 0.060 1 419 49 49 GLU N N 115.998 0.000 1 420 50 50 LYS H H 7.554 0.005 1 421 50 50 LYS C C 175.166 0.000 1 422 50 50 LYS CA C 55.400 0.016 1 423 50 50 LYS CB C 33.192 0.000 1 424 50 50 LYS N N 118.930 0.000 1 425 51 51 GLN H H 8.271 0.000 1 426 51 51 GLN CA C 55.680 0.000 1 427 51 51 GLN N N 119.468 0.000 1 428 52 52 THR HG2 H 1.115 0.000 1 429 52 52 THR CG2 C 22.010 0.000 1 430 53 53 PRO HA H 4.611 0.000 1 431 53 53 PRO HB2 H 1.778 0.004 2 432 53 53 PRO HB3 H 2.218 0.001 2 433 53 53 PRO HD2 H 2.555 0.000 2 434 53 53 PRO HD3 H 3.265 0.000 2 435 53 53 PRO CA C 61.350 0.028 1 436 53 53 PRO CB C 30.802 0.053 1 437 53 53 PRO CG C 27.470 0.028 1 438 53 53 PRO CD C 50.251 0.027 1 439 54 54 PRO HD2 H 3.637 0.000 2 440 54 54 PRO HD3 H 3.801 0.000 2 441 54 54 PRO CD C 50.462 0.000 1 442 55 55 GLY CA C 46.270 0.038 1 443 56 56 ILE H H 7.299 0.000 1 444 56 56 ILE HA H 4.096 0.003 1 445 56 56 ILE HB H 1.896 0.004 1 446 56 56 ILE HG12 H 1.329 0.001 2 447 56 56 ILE HG13 H 1.351 0.001 2 448 56 56 ILE HG2 H 0.930 0.007 1 449 56 56 ILE HD1 H 0.748 0.005 1 450 56 56 ILE CA C 61.980 0.117 1 451 56 56 ILE CB C 37.601 0.152 1 452 56 56 ILE CG1 C 26.972 0.050 1 453 56 56 ILE CG2 C 17.657 0.028 1 454 56 56 ILE CD1 C 13.618 0.033 1 455 56 56 ILE N N 117.676 0.000 1 456 57 57 THR H H 7.148 0.006 1 457 57 57 THR HG2 H 1.375 0.000 1 458 57 57 THR CA C 60.809 0.062 1 459 57 57 THR CB C 71.646 0.000 1 460 57 57 THR CG2 C 21.855 0.099 1 461 57 57 THR N N 115.666 0.000 1 462 58 58 ARG H H 8.200 0.000 1 463 58 58 ARG N N 123.429 0.000 1 464 59 59 SER HA H 4.252 0.000 1 465 59 59 SER C C 176.528 0.000 1 466 59 59 SER CA C 61.737 0.129 1 467 59 59 SER CB C 62.341 0.000 1 468 60 60 ILE H H 7.348 0.000 1 469 60 60 ILE HA H 3.941 0.006 1 470 60 60 ILE HB H 2.062 0.008 1 471 60 60 ILE HG12 H 1.344 0.002 2 472 60 60 ILE HG13 H 1.693 0.000 2 473 60 60 ILE HG2 H 1.103 0.003 1 474 60 60 ILE HD1 H 0.984 0.003 1 475 60 60 ILE C C 176.823 0.040 1 476 60 60 ILE CA C 64.316 0.133 1 477 60 60 ILE CB C 37.140 0.153 1 478 60 60 ILE CG1 C 28.722 0.025 1 479 60 60 ILE CG2 C 18.232 0.066 1 480 60 60 ILE CD1 C 12.334 0.038 1 481 60 60 ILE N N 122.669 0.000 1 482 61 61 GLN H H 8.579 0.000 1 483 61 61 GLN HA H 3.902 0.000 1 484 61 61 GLN HB2 H 2.267 0.000 2 485 61 61 GLN HB3 H 2.267 0.000 2 486 61 61 GLN C C 176.915 0.000 1 487 61 61 GLN CA C 60.706 0.078 1 488 61 61 GLN CB C 28.545 0.051 1 489 61 61 GLN N N 121.266 0.000 1 490 62 62 ASP H H 8.578 0.000 1 491 62 62 ASP HA H 4.361 0.000 1 492 62 62 ASP HB2 H 2.283 0.000 2 493 62 62 ASP HB3 H 2.283 0.000 2 494 62 62 ASP C C 178.285 0.049 1 495 62 62 ASP CA C 57.537 0.034 1 496 62 62 ASP CB C 40.357 0.015 1 497 62 62 ASP N N 117.776 0.000 1 498 63 63 MET H H 7.603 0.005 1 499 63 63 MET HA H 3.936 0.003 1 500 63 63 MET HB2 H 2.218 0.007 2 501 63 63 MET HB3 H 2.277 0.035 2 502 63 63 MET HG2 H 2.349 0.000 2 503 63 63 MET HG3 H 2.585 0.000 2 504 63 63 MET HE H 2.123 0.000 1 505 63 63 MET C C 177.786 0.026 1 506 63 63 MET CA C 58.858 0.121 1 507 63 63 MET CB C 33.324 0.178 1 508 63 63 MET CG C 31.352 0.025 1 509 63 63 MET CE C 17.086 0.000 1 510 63 63 MET N N 121.042 0.000 1 511 64 64 VAL H H 8.565 0.003 1 512 64 64 VAL HA H 3.605 0.010 1 513 64 64 VAL HB H 2.081 0.006 1 514 64 64 VAL HG1 H 1.069 0.005 2 515 64 64 VAL HG2 H 0.525 0.244 2 516 64 64 VAL C C 176.694 0.104 1 517 64 64 VAL CA C 67.388 0.184 1 518 64 64 VAL CB C 31.191 0.115 1 519 64 64 VAL CG1 C 23.980 0.037 1 520 64 64 VAL CG2 C 21.884 0.968 1 521 64 64 VAL N N 119.684 0.000 1 522 65 65 ALA H H 8.919 0.005 1 523 65 65 ALA HA H 3.823 0.005 1 524 65 65 ALA HB H 1.410 0.001 1 525 65 65 ALA C C 178.561 0.009 1 526 65 65 ALA CA C 56.065 0.077 1 527 65 65 ALA CB C 17.326 0.083 1 528 65 65 ALA N N 122.157 0.000 1 529 66 66 GLY H H 7.581 0.000 1 530 66 66 GLY HA2 H 3.859 0.013 2 531 66 66 GLY HA3 H 3.859 0.013 2 532 66 66 GLY C C 176.225 0.032 1 533 66 66 GLY CA C 47.244 0.178 1 534 66 66 GLY N N 103.438 0.000 1 535 67 67 TYR H H 7.511 0.002 1 536 67 67 TYR HA H 4.684 0.000 1 537 67 67 TYR HB2 H 3.206 0.000 2 538 67 67 TYR HB3 H 3.389 0.001 2 539 67 67 TYR HD1 H 7.103 0.007 1 540 67 67 TYR HE1 H 6.856 0.000 1 541 67 67 TYR C C 178.561 0.009 1 542 67 67 TYR CA C 59.978 0.093 1 543 67 67 TYR CB C 37.505 0.080 1 544 67 67 TYR CD1 C 131.934 0.000 1 545 67 67 TYR CE1 C 118.485 0.000 1 546 67 67 TYR N N 122.509 0.000 1 547 68 68 ILE H H 8.622 0.000 1 548 68 68 ILE HA H 3.466 0.005 1 549 68 68 ILE HB H 1.630 0.160 1 550 68 68 ILE HG12 H 0.988 0.003 2 551 68 68 ILE HG13 H 1.006 0.012 2 552 68 68 ILE HG2 H 0.864 0.002 1 553 68 68 ILE HD1 H 0.007 0.005 1 554 68 68 ILE C C 176.471 0.004 1 555 68 68 ILE CA C 66.804 0.107 1 556 68 68 ILE CB C 37.776 0.151 1 557 68 68 ILE CG1 C 27.724 0.301 1 558 68 68 ILE CG2 C 19.073 0.080 1 559 68 68 ILE CD1 C 14.747 0.039 1 560 68 68 ILE N N 123.397 0.000 1 561 69 69 LYS H H 8.651 0.000 1 562 69 69 LYS HA H 4.159 0.000 1 563 69 69 LYS HB2 H 1.567 0.000 2 564 69 69 LYS HB3 H 2.073 0.000 2 565 69 69 LYS C C 176.766 0.008 1 566 69 69 LYS CA C 59.005 0.043 1 567 69 69 LYS CB C 31.684 0.079 1 568 69 69 LYS N N 120.666 0.000 1 569 70 70 GLN H H 8.035 0.000 1 570 70 70 GLN HA H 4.058 0.000 1 571 70 70 GLN HB2 H 2.088 0.000 2 572 70 70 GLN HB3 H 2.182 0.000 2 573 70 70 GLN C C 177.175 0.004 1 574 70 70 GLN CA C 59.213 0.047 1 575 70 70 GLN CB C 28.775 0.146 1 576 70 70 GLN N N 117.457 0.000 1 577 71 71 THR H H 7.840 0.000 1 578 71 71 THR HA H 4.314 0.000 1 579 71 71 THR HG2 H 1.530 0.000 1 580 71 71 THR C C 175.788 0.000 1 581 71 71 THR CA C 67.514 0.060 1 582 71 71 THR CB C 68.774 0.100 1 583 71 71 THR CG2 C 24.175 0.000 1 584 71 71 THR N N 116.947 0.000 1 585 72 72 LEU H H 8.703 0.005 1 586 72 72 LEU HA H 3.964 0.000 1 587 72 72 LEU HB2 H 1.691 0.000 2 588 72 72 LEU HB3 H 1.691 0.000 2 589 72 72 LEU HD1 H 0.727 0.000 2 590 72 72 LEU HD2 H 0.866 0.000 2 591 72 72 LEU C C 178.856 0.029 1 592 72 72 LEU CA C 58.700 0.030 1 593 72 72 LEU CB C 42.301 0.072 1 594 72 72 LEU CD1 C 24.846 0.000 1 595 72 72 LEU CD2 C 25.210 0.000 1 596 72 72 LEU N N 123.218 0.000 1 597 73 73 ASP H H 8.833 0.005 1 598 73 73 ASP HA H 4.392 0.000 1 599 73 73 ASP HB2 H 2.322 0.000 2 600 73 73 ASP HB3 H 2.322 0.000 2 601 73 73 ASP C C 178.738 0.044 1 602 73 73 ASP CA C 57.739 0.103 1 603 73 73 ASP CB C 39.589 0.044 1 604 73 73 ASP N N 121.365 0.000 1 605 74 74 ASN H H 8.428 0.000 1 606 74 74 ASN C C 177.105 0.004 1 607 74 74 ASN CA C 55.899 0.043 1 608 74 74 ASN CB C 36.953 0.055 1 609 74 74 ASN N N 120.778 0.000 1 610 75 75 GLU H H 9.114 0.004 1 611 75 75 GLU HA H 3.886 0.000 1 612 75 75 GLU HB2 H 1.845 0.271 2 613 75 75 GLU HB3 H 1.956 0.381 2 614 75 75 GLU HG2 H 1.991 0.000 2 615 75 75 GLU HG3 H 2.650 0.000 2 616 75 75 GLU C C 177.999 0.026 1 617 75 75 GLU CA C 61.541 0.081 1 618 75 75 GLU CB C 30.102 0.171 1 619 75 75 GLU CG C 37.953 0.043 1 620 75 75 GLU N N 121.610 0.000 1 621 76 76 GLN H H 8.163 0.000 1 622 76 76 GLN HA H 4.065 0.000 1 623 76 76 GLN HB2 H 2.267 0.000 2 624 76 76 GLN HB3 H 2.267 0.000 2 625 76 76 GLN C C 178.602 0.049 1 626 76 76 GLN CA C 59.261 0.072 1 627 76 76 GLN CB C 27.831 0.011 1 628 76 76 GLN N N 118.364 0.000 1 629 77 77 LEU H H 7.627 0.000 1 630 77 77 LEU HA H 4.166 0.000 1 631 77 77 LEU HD1 H 0.997 0.000 2 632 77 77 LEU HD2 H 0.927 0.000 2 633 77 77 LEU C C 179.460 0.026 1 634 77 77 LEU CA C 58.114 0.094 1 635 77 77 LEU CB C 41.818 0.126 1 636 77 77 LEU CD1 C 25.517 0.000 1 637 77 77 LEU CD2 C 22.928 0.000 1 638 77 77 LEU N N 120.866 0.000 1 639 78 78 LEU H H 8.856 0.004 1 640 78 78 LEU HA H 3.917 0.000 1 641 78 78 LEU HB2 H 1.544 0.000 2 642 78 78 LEU HB3 H 2.042 0.000 2 643 78 78 LEU HD1 H 0.848 0.000 2 644 78 78 LEU HD2 H 0.797 0.000 2 645 78 78 LEU C C 177.281 0.004 1 646 78 78 LEU CA C 58.625 0.140 1 647 78 78 LEU CB C 42.114 0.086 1 648 78 78 LEU CD1 C 24.500 0.000 1 649 78 78 LEU CD2 C 26.951 0.000 1 650 78 78 LEU N N 122.639 0.000 1 651 79 79 LYS H H 8.690 0.005 1 652 79 79 LYS HA H 3.855 0.000 1 653 79 79 LYS HB2 H 1.925 0.000 2 654 79 79 LYS HB3 H 1.925 0.000 2 655 79 79 LYS C C 177.892 0.009 1 656 79 79 LYS CA C 61.202 0.068 1 657 79 79 LYS CB C 32.156 0.035 1 658 79 79 LYS N N 118.324 0.000 1 659 80 80 GLY H H 7.555 0.000 1 660 80 80 GLY HA2 H 3.962 0.002 2 661 80 80 GLY HA3 H 3.964 0.000 2 662 80 80 GLY C C 175.943 0.004 1 663 80 80 GLY CA C 47.443 0.383 1 664 80 80 GLY N N 105.384 0.000 1 665 81 81 LEU H H 7.789 0.000 1 666 81 81 LEU HA H 4.283 0.000 1 667 81 81 LEU HD1 H 0.993 0.000 2 668 81 81 LEU HD2 H 0.875 0.000 2 669 81 81 LEU C C 179.644 0.036 1 670 81 81 LEU CA C 58.168 0.084 1 671 81 81 LEU CB C 41.819 0.029 1 672 81 81 LEU CD1 C 22.560 0.000 1 673 81 81 LEU CD2 C 27.466 0.000 1 674 81 81 LEU N N 122.865 0.000 1 675 82 82 LEU H H 9.028 0.000 1 676 82 82 LEU HA H 4.089 0.000 1 677 82 82 LEU HD1 H 0.915 0.000 2 678 82 82 LEU HD2 H 1.025 0.000 2 679 82 82 LEU C C 177.471 0.000 1 680 82 82 LEU CA C 58.919 0.257 1 681 82 82 LEU CB C 41.912 0.056 1 682 82 82 LEU CD1 C 26.247 0.000 1 683 82 82 LEU CD2 C 25.284 0.000 1 684 82 82 LEU N N 121.751 0.000 1 685 83 83 GLN H H 8.342 0.000 1 686 83 83 GLN HA H 4.377 0.000 1 687 83 83 GLN HB2 H 1.575 0.000 2 688 83 83 GLN HB3 H 1.575 0.000 2 689 83 83 GLN C C 176.774 0.089 1 690 83 83 GLN CA C 58.870 0.065 1 691 83 83 GLN CB C 28.235 0.085 1 692 83 83 GLN N N 118.548 0.000 1 693 84 84 GLN H H 7.682 0.000 1 694 84 84 GLN HB2 H 2.267 0.000 2 695 84 84 GLN HB3 H 2.267 0.000 2 696 84 84 GLN C C 177.719 0.001 1 697 84 84 GLN CA C 59.239 0.075 1 698 84 84 GLN CB C 28.395 0.048 1 699 84 84 GLN N N 117.216 0.005 1 700 85 85 ARG H H 7.727 0.003 1 701 85 85 ARG HA H 4.166 0.000 1 702 85 85 ARG HB2 H 1.855 0.000 2 703 85 85 ARG HB3 H 1.855 0.000 2 704 85 85 ARG C C 176.904 0.006 1 705 85 85 ARG CA C 57.289 0.095 1 706 85 85 ARG CB C 28.387 0.040 1 707 85 85 ARG N N 121.209 0.000 1 708 86 86 LEU H H 8.615 0.002 1 709 86 86 LEU HA H 4.345 0.000 1 710 86 86 LEU HB2 H 1.622 0.232 2 711 86 86 LEU HB3 H 1.621 0.000 2 712 86 86 LEU HD1 H 0.558 0.000 2 713 86 86 LEU HD2 H 0.072 0.000 2 714 86 86 LEU C C 178.394 0.053 1 715 86 86 LEU CA C 59.100 0.151 1 716 86 86 LEU CB C 40.264 0.164 1 717 86 86 LEU CD1 C 25.877 0.000 1 718 86 86 LEU CD2 C 24.018 0.000 1 719 86 86 LEU N N 121.650 0.000 1 720 87 87 ASP H H 8.338 0.004 1 721 87 87 ASP HA H 4.026 0.000 1 722 87 87 ASP HB2 H 2.781 0.000 2 723 87 87 ASP HB3 H 2.781 0.000 2 724 87 87 ASP C C 178.546 0.016 1 725 87 87 ASP CA C 57.886 0.049 1 726 87 87 ASP CB C 40.019 0.049 1 727 87 87 ASP N N 120.158 0.000 1 728 88 88 GLU H H 8.140 0.001 1 729 88 88 GLU HA H 4.042 0.000 1 730 88 88 GLU HB2 H 2.221 0.000 2 731 88 88 GLU HB3 H 2.221 0.000 2 732 88 88 GLU C C 178.841 0.041 1 733 88 88 GLU CA C 59.623 0.065 1 734 88 88 GLU CB C 29.947 0.007 1 735 88 88 GLU N N 123.341 0.000 1 736 89 89 LEU H H 8.985 0.003 1 737 89 89 LEU HA H 3.801 0.000 1 738 89 89 LEU HB2 H 2.314 0.000 2 739 89 89 LEU HB3 H 2.314 0.000 2 740 89 89 LEU HD1 H 0.906 0.000 2 741 89 89 LEU HD2 H 0.741 0.000 2 742 89 89 LEU C C 178.060 0.000 1 743 89 89 LEU CA C 58.222 0.055 1 744 89 89 LEU CB C 43.209 0.039 1 745 89 89 LEU CD1 C 26.206 0.000 1 746 89 89 LEU CD2 C 22.435 0.000 1 747 89 89 LEU N N 119.982 0.000 1 748 90 90 SER H H 8.828 0.009 1 749 90 90 SER HA H 4.104 0.000 1 750 90 90 SER HB2 H 3.910 0.000 2 751 90 90 SER HB3 H 3.910 0.000 2 752 90 90 SER C C 176.470 0.000 1 753 90 90 SER CA C 62.724 0.073 1 754 90 90 SER N N 114.410 0.000 1 755 91 91 SER H H 7.627 0.000 1 756 91 91 SER C C 174.609 0.000 1 757 91 91 SER CA C 61.480 0.077 1 758 91 91 SER CB C 62.910 0.104 1 759 91 91 SER N N 116.801 0.000 1 760 92 92 LEU H H 7.900 0.000 1 761 92 92 LEU HA H 3.790 0.028 1 762 92 92 LEU HB2 H 1.621 0.000 2 763 92 92 LEU HB3 H 1.621 0.000 2 764 92 92 LEU HD1 H 0.486 0.000 2 765 92 92 LEU HD2 H 0.770 0.000 2 766 92 92 LEU C C 178.518 0.000 1 767 92 92 LEU CA C 57.971 0.075 1 768 92 92 LEU CB C 42.039 0.063 1 769 92 92 LEU CD1 C 24.688 0.000 1 770 92 92 LEU CD2 C 22.787 0.000 1 771 92 92 LEU N N 123.261 0.000 1 772 93 93 ILE H H 8.323 0.000 1 773 93 93 ILE HA H 3.835 0.003 1 774 93 93 ILE HB H 1.779 0.008 1 775 93 93 ILE HG12 H 1.002 0.001 2 776 93 93 ILE HG13 H 1.722 0.000 2 777 93 93 ILE HG2 H 0.864 0.006 1 778 93 93 ILE HD1 H 0.601 0.016 1 779 93 93 ILE C C 176.349 0.043 1 780 93 93 ILE CA C 64.605 0.168 1 781 93 93 ILE CB C 38.918 0.179 1 782 93 93 ILE CG1 C 30.022 0.067 1 783 93 93 ILE CG2 C 17.861 0.054 1 784 93 93 ILE CD1 C 13.852 0.074 1 785 93 93 ILE N N 117.264 0.000 1 786 94 94 GLY H H 7.708 0.000 1 787 94 94 GLY HA2 H 3.917 0.000 2 788 94 94 GLY HA3 H 3.917 0.000 2 789 94 94 GLY C C 173.485 0.033 1 790 94 94 GLY CA C 46.134 0.038 1 791 94 94 GLY N N 106.132 0.000 1 792 95 95 GLN H H 7.799 0.000 1 793 95 95 GLN HA H 4.275 0.000 1 794 95 95 GLN HB2 H 2.034 0.000 2 795 95 95 GLN HB3 H 2.096 0.000 2 796 95 95 GLN C C 174.917 0.012 1 797 95 95 GLN CA C 56.572 0.082 1 798 95 95 GLN CB C 29.313 0.058 1 799 95 95 GLN N N 118.598 0.000 1 800 96 96 VAL H H 7.816 0.000 1 801 96 96 VAL HA H 4.106 0.008 1 802 96 96 VAL HB H 2.092 0.006 1 803 96 96 VAL HG1 H 0.900 0.032 2 804 96 96 VAL HG2 H 0.943 0.004 2 805 96 96 VAL C C 174.859 0.006 1 806 96 96 VAL CA C 62.742 0.130 1 807 96 96 VAL CB C 32.437 0.164 1 808 96 96 VAL CG1 C 21.553 0.240 1 809 96 96 VAL CG2 C 20.488 0.176 1 810 96 96 VAL N N 119.058 0.000 1 811 97 97 LEU H H 7.979 0.000 1 812 97 97 LEU HA H 4.333 0.011 1 813 97 97 LEU HB2 H 1.466 0.000 2 814 97 97 LEU HB3 H 1.466 0.000 2 815 97 97 LEU HD1 H 0.818 0.000 2 816 97 97 LEU HD2 H 0.793 0.000 2 817 97 97 LEU C C 174.791 0.026 1 818 97 97 LEU CA C 55.133 0.450 1 819 97 97 LEU CB C 42.227 0.035 1 820 97 97 LEU CD1 C 25.268 0.000 1 821 97 97 LEU CD2 C 23.330 0.000 1 822 97 97 LEU N N 124.581 0.000 1 823 98 98 PHE H H 7.542 0.006 1 824 98 98 PHE HB2 H 2.980 0.000 2 825 98 98 PHE HB3 H 3.160 0.000 2 826 98 98 PHE HD1 H 7.226 0.006 1 827 98 98 PHE HE1 H 7.301 0.000 1 828 98 98 PHE HZ H 7.328 0.000 1 829 98 98 PHE C C 179.232 0.000 1 830 98 98 PHE CA C 59.212 0.032 1 831 98 98 PHE CB C 40.343 0.027 1 832 98 98 PHE CD1 C 132.130 0.000 1 833 98 98 PHE CE1 C 131.478 0.000 1 834 98 98 PHE CZ C 129.876 0.000 1 835 98 98 PHE N N 125.210 0.000 1 836 99 99 GLN CA C 56.091 0.058 1 837 99 99 GLN CB C 29.674 0.105 1 838 99 99 GLN CG C 33.760 0.000 1 839 100 100 GLY H H 7.878 0.000 1 840 100 100 GLY CA C 45.006 0.017 1 841 100 100 GLY N N 109.626 0.000 1 842 103 103 ALA H H 8.296 0.000 1 843 103 103 ALA HA H 4.348 0.003 1 844 103 103 ALA HB H 1.413 0.002 1 845 103 103 ALA CA C 52.756 0.082 1 846 103 103 ALA CB C 19.252 0.070 1 847 103 103 ALA N N 126.464 0.000 1 848 104 104 GLY H H 7.910 0.001 1 849 104 104 GLY CA C 46.286 0.029 1 850 104 104 GLY N N 114.400 0.039 1 851 105 105 LEU HD1 H 0.930 0.000 2 852 105 105 LEU HD2 H 0.925 0.000 2 853 105 105 LEU CD1 C 23.459 0.000 1 854 105 105 LEU CD2 C 25.331 0.000 1 855 106 106 VAL HG1 H 0.969 0.000 2 856 106 106 VAL HG2 H 1.098 0.000 2 857 106 106 VAL CG1 C 21.922 0.000 1 858 106 106 VAL CG2 C 21.823 0.000 1 859 111 111 GLY H H 8.271 0.000 1 860 111 111 GLY N N 108.906 0.000 1 861 112 112 GLY H H 8.255 0.000 1 862 112 112 GLY HA2 H 4.003 0.000 2 863 112 112 GLY HA3 H 4.003 0.000 2 864 112 112 GLY C C 173.213 0.003 1 865 112 112 GLY CA C 45.432 0.033 1 866 112 112 GLY N N 108.876 0.000 1 867 113 113 ILE H H 8.060 0.000 1 868 113 113 ILE HA H 4.200 0.007 1 869 113 113 ILE HB H 1.891 0.008 1 870 113 113 ILE HG12 H 1.196 0.001 2 871 113 113 ILE HG13 H 1.462 0.002 2 872 113 113 ILE HG2 H 0.919 0.006 1 873 113 113 ILE HD1 H 0.880 0.011 1 874 113 113 ILE C C 175.565 0.004 1 875 113 113 ILE CA C 61.438 0.142 1 876 113 113 ILE CB C 38.688 0.144 1 877 113 113 ILE CG1 C 27.302 0.043 1 878 113 113 ILE CG2 C 17.604 0.043 1 879 113 113 ILE CD1 C 13.129 0.067 1 880 113 113 ILE N N 120.213 0.000 1 881 114 114 GLU H H 8.589 0.000 1 882 114 114 GLU HA H 4.293 0.000 1 883 114 114 GLU HB2 H 1.956 0.000 2 884 114 114 GLU HB3 H 2.054 0.000 2 885 114 114 GLU C C 175.930 0.017 1 886 114 114 GLU CA C 57.260 0.080 1 887 114 114 GLU CB C 30.045 0.175 1 888 114 114 GLU N N 125.039 0.000 1 889 115 115 GLY H H 8.380 0.000 1 890 115 115 GLY HA2 H 3.995 0.000 2 891 115 115 GLY HA3 H 3.995 0.000 2 892 115 115 GLY C C 173.153 0.022 1 893 115 115 GLY CA C 45.532 0.062 1 894 115 115 GLY N N 110.256 0.000 1 895 428 116 SER H H 8.224 0.000 1 896 428 116 SER HA H 4.525 0.000 1 897 428 116 SER HB2 H 3.917 0.000 2 898 428 116 SER HB3 H 3.956 0.000 2 899 428 116 SER C C 174.329 0.000 1 900 428 116 SER CA C 58.402 0.072 1 901 428 116 SER CB C 64.493 0.031 1 902 428 116 SER N N 115.712 0.000 1 903 429 117 ILE H H 8.417 0.000 1 904 429 117 ILE HA H 4.137 0.006 1 905 429 117 ILE HB H 1.925 0.007 1 906 429 117 ILE HG12 H 1.261 0.003 2 907 429 117 ILE HG13 H 1.525 0.002 2 908 429 117 ILE HG2 H 0.941 0.000 1 909 429 117 ILE HD1 H 0.903 0.016 1 910 429 117 ILE C C 175.419 0.000 1 911 429 117 ILE CA C 62.498 0.108 1 912 429 117 ILE CB C 38.440 0.122 1 913 429 117 ILE CG1 C 28.002 0.050 1 914 429 117 ILE CG2 C 17.594 0.056 1 915 429 117 ILE CD1 C 13.185 0.058 1 916 429 117 ILE N N 123.397 0.000 1 917 430 118 ASP H H 8.241 0.000 1 918 430 118 ASP HA H 4.454 0.000 1 919 430 118 ASP HB2 H 2.640 0.001 2 920 430 118 ASP HB3 H 2.692 0.020 2 921 430 118 ASP C C 176.819 0.059 1 922 430 118 ASP CA C 56.008 0.070 1 923 430 118 ASP CB C 41.179 0.058 1 924 430 118 ASP N N 122.348 0.000 1 925 431 119 GLU H H 8.344 0.000 1 926 431 119 GLU C C 177.272 0.023 1 927 431 119 GLU CA C 58.925 0.065 1 928 431 119 GLU CB C 29.574 0.032 1 929 431 119 GLU N N 122.065 0.000 1 930 432 120 THR H H 8.065 0.000 1 931 432 120 THR HA H 4.307 0.000 1 932 432 120 THR HG2 H 1.325 0.000 1 933 432 120 THR C C 174.689 0.000 1 934 432 120 THR CA C 66.487 0.258 1 935 432 120 THR CB C 68.884 0.077 1 936 432 120 THR CG2 C 21.867 0.000 1 937 432 120 THR N N 117.229 0.000 1 938 433 121 VAL H H 8.143 0.004 1 939 433 121 VAL HA H 3.752 0.122 1 940 433 121 VAL HB H 2.077 0.175 1 941 433 121 VAL HG1 H 1.110 0.016 2 942 433 121 VAL HG2 H 1.030 0.014 2 943 433 121 VAL C C 176.715 0.011 1 944 433 121 VAL CA C 66.815 0.176 1 945 433 121 VAL CB C 31.615 0.172 1 946 433 121 VAL CG1 C 23.066 0.391 1 947 433 121 VAL CG2 C 21.273 0.258 1 948 433 121 VAL N N 120.607 0.000 1 949 434 122 ALA H H 7.989 0.009 1 950 434 122 ALA HA H 4.063 0.020 1 951 434 122 ALA HB H 1.495 0.007 1 952 434 122 ALA C C 180.126 0.010 1 953 434 122 ALA CA C 55.581 0.080 1 954 434 122 ALA CB C 17.901 0.083 1 955 434 122 ALA N N 121.555 0.000 1 956 435 123 ARG H H 7.824 0.000 1 957 435 123 ARG HB2 H 1.598 0.000 2 958 435 123 ARG HB3 H 1.894 0.000 2 959 435 123 ARG C C 179.053 0.024 1 960 435 123 ARG CA C 59.569 0.121 1 961 435 123 ARG CB C 29.350 0.129 1 962 435 123 ARG N N 119.603 0.000 1 963 436 124 TYR H H 8.042 0.006 1 964 436 124 TYR HA H 4.595 0.000 1 965 436 124 TYR HB2 H 3.077 0.000 2 966 436 124 TYR HB3 H 3.194 0.000 2 967 436 124 TYR HD1 H 6.863 0.000 1 968 436 124 TYR HE1 H 6.743 0.000 1 969 436 124 TYR C C 177.695 0.023 1 970 436 124 TYR CA C 58.762 0.106 1 971 436 124 TYR CB C 37.389 0.021 1 972 436 124 TYR CD1 C 130.897 0.000 1 973 436 124 TYR CE1 C 118.677 0.000 1 974 436 124 TYR N N 120.081 0.000 1 975 437 125 LYS H H 8.824 0.002 1 976 437 125 LYS HA H 3.925 0.000 1 977 437 125 LYS HB2 H 1.598 0.000 2 978 437 125 LYS HB3 H 1.925 0.000 2 979 437 125 LYS C C 177.079 0.594 1 980 437 125 LYS CA C 60.635 0.091 1 981 437 125 LYS CB C 31.634 0.019 1 982 437 125 LYS N N 120.058 0.019 1 983 438 126 ALA H H 7.996 0.005 1 984 438 126 ALA HA H 4.313 0.014 1 985 438 126 ALA HB H 1.580 0.007 1 986 438 126 ALA C C 179.097 0.021 1 987 438 126 ALA CA C 55.302 0.193 1 988 438 126 ALA CB C 17.889 0.100 1 989 438 126 ALA N N 121.758 0.005 1 990 439 127 GLN H H 8.159 0.000 1 991 439 127 GLN HA H 3.995 0.000 1 992 439 127 GLN HB2 H 1.925 0.000 2 993 439 127 GLN HB3 H 2.299 0.000 2 994 439 127 GLN C C 176.668 0.018 1 995 439 127 GLN CA C 60.219 0.055 1 996 439 127 GLN CB C 30.665 0.019 1 997 439 127 GLN N N 119.187 0.000 1 998 440 128 PHE H H 8.852 0.001 1 999 440 128 PHE HA H 4.299 0.000 1 1000 440 128 PHE HB2 H 3.499 0.040 2 1001 440 128 PHE HB3 H 3.635 0.096 2 1002 440 128 PHE HD1 H 7.113 0.000 1 1003 440 128 PHE HE1 H 7.382 0.000 1 1004 440 128 PHE HZ H 7.278 0.000 1 1005 440 128 PHE C C 175.653 0.022 1 1006 440 128 PHE CA C 62.305 0.101 1 1007 440 128 PHE CB C 39.124 0.163 1 1008 440 128 PHE CD1 C 131.761 0.000 1 1009 440 128 PHE CE1 C 132.169 0.000 1 1010 440 128 PHE CZ C 129.939 0.000 1 1011 440 128 PHE N N 120.328 0.000 1 1012 441 129 THR H H 8.370 0.000 1 1013 441 129 THR HA H 4.314 0.000 1 1014 441 129 THR HG2 H 1.311 0.000 1 1015 441 129 THR C C 174.750 0.000 1 1016 441 129 THR CA C 66.975 0.069 1 1017 441 129 THR CB C 69.295 0.057 1 1018 441 129 THR CG2 C 21.746 0.000 1 1019 441 129 THR N N 114.570 0.000 1 1020 442 130 GLN H H 8.108 0.000 1 1021 442 130 GLN HA H 4.120 0.000 1 1022 442 130 GLN HB2 H 2.135 0.000 2 1023 442 130 GLN HB3 H 2.229 0.000 2 1024 442 130 GLN C C 178.615 0.012 1 1025 442 130 GLN CA C 59.833 0.138 1 1026 442 130 GLN CB C 29.672 0.031 1 1027 442 130 GLN N N 121.147 0.000 1 1028 443 131 LEU H H 8.785 0.000 1 1029 443 131 LEU HA H 4.124 0.005 1 1030 443 131 LEU HD1 H 0.910 0.000 2 1031 443 131 LEU HD2 H 0.410 0.000 2 1032 443 131 LEU C C 177.062 0.016 1 1033 443 131 LEU CA C 58.009 0.104 1 1034 443 131 LEU CB C 40.897 0.058 1 1035 443 131 LEU CD1 C 22.613 0.000 1 1036 443 131 LEU CD2 C 27.433 0.000 1 1037 443 131 LEU N N 121.793 0.000 1 1038 444 132 ASP H H 8.731 0.003 1 1039 444 132 ASP HA H 3.987 0.000 1 1040 444 132 ASP C C 178.201 0.000 1 1041 444 132 ASP CA C 57.984 0.063 1 1042 444 132 ASP CB C 42.161 0.101 1 1043 444 132 ASP N N 121.716 0.000 1 1044 445 133 THR H H 8.130 0.000 1 1045 445 133 THR HA H 4.349 0.012 1 1046 445 133 THR HG2 H 1.388 0.000 1 1047 445 133 THR C C 175.518 0.000 1 1048 445 133 THR CA C 67.039 0.221 1 1049 445 133 THR CB C 68.763 0.004 1 1050 445 133 THR CG2 C 21.719 0.000 1 1051 445 133 THR N N 115.944 0.000 1 1052 446 134 MET H H 7.949 0.004 1 1053 446 134 MET HA H 4.081 0.006 1 1054 446 134 MET HB2 H 2.277 0.007 2 1055 446 134 MET HB3 H 2.290 0.007 2 1056 446 134 MET HE H 2.039 0.013 1 1057 446 134 MET C C 176.611 0.021 1 1058 446 134 MET CA C 60.305 0.193 1 1059 446 134 MET CB C 31.447 0.219 1 1060 446 134 MET CG C 30.261 0.076 1 1061 446 134 MET CE C 18.699 0.000 1 1062 446 134 MET N N 123.231 0.000 1 1063 447 135 MET H H 8.461 0.008 1 1064 447 135 MET HA H 3.920 0.017 1 1065 447 135 MET HB2 H 2.497 0.011 2 1066 447 135 MET HB3 H 2.530 0.009 2 1067 447 135 MET HE H 2.142 0.000 1 1068 447 135 MET C C 177.347 0.052 1 1069 447 135 MET CA C 59.588 0.065 1 1070 447 135 MET CB C 32.411 0.251 1 1071 447 135 MET CG C 32.588 0.000 1 1072 447 135 MET CE C 17.880 0.000 1 1073 447 135 MET N N 118.815 0.000 1 1074 448 136 SER H H 7.860 0.000 1 1075 448 136 SER HA H 4.353 0.000 1 1076 448 136 SER C C 176.792 0.000 1 1077 448 136 SER CA C 62.236 0.022 1 1078 448 136 SER CB C 62.820 0.049 1 1079 448 136 SER N N 114.266 0.000 1 1080 449 137 LYS H H 8.168 0.006 1 1081 449 137 LYS HA H 4.377 0.000 1 1082 449 137 LYS HB2 H 2.034 0.000 2 1083 449 137 LYS HB3 H 2.034 0.000 2 1084 449 137 LYS C C 179.037 0.012 1 1085 449 137 LYS CA C 59.616 0.110 1 1086 449 137 LYS CB C 31.675 0.040 1 1087 449 137 LYS N N 122.892 0.000 1 1088 450 138 LEU H H 8.375 0.005 1 1089 450 138 LEU HD1 H 0.830 0.000 2 1090 450 138 LEU HD2 H 0.942 0.000 2 1091 450 138 LEU C C 178.862 0.038 1 1092 450 138 LEU CA C 56.338 0.053 1 1093 450 138 LEU CB C 41.102 0.021 1 1094 450 138 LEU CD1 C 27.081 0.000 1 1095 450 138 LEU CD2 C 22.778 0.000 1 1096 450 138 LEU N N 119.773 0.000 1 1097 451 139 ASN H H 8.007 0.000 1 1098 451 139 ASN HA H 4.610 0.000 1 1099 451 139 ASN HB2 H 2.913 0.008 2 1100 451 139 ASN HB3 H 3.030 0.024 2 1101 451 139 ASN C C 177.242 0.038 1 1102 451 139 ASN CA C 56.403 0.099 1 1103 451 139 ASN CB C 37.941 0.093 1 1104 451 139 ASN N N 118.254 0.000 1 1105 452 140 ASN H H 7.709 0.000 1 1106 452 140 ASN C C 177.363 0.000 1 1107 452 140 ASN CA C 56.382 0.090 1 1108 452 140 ASN CB C 38.743 0.085 1 1109 452 140 ASN N N 118.361 0.000 1 1110 453 141 THR H H 8.510 0.000 1 1111 453 141 THR HG2 H 1.254 0.000 1 1112 453 141 THR CA C 66.791 0.022 1 1113 453 141 THR CG2 C 24.035 0.000 1 1114 453 141 THR N N 115.020 0.000 1 1115 454 142 SER H H 8.609 0.000 1 1116 454 142 SER CA C 63.269 0.041 1 1117 454 142 SER N N 119.525 0.000 1 1118 455 143 SER H H 7.659 0.000 1 1119 455 143 SER C C 175.771 0.000 1 1120 455 143 SER CA C 62.215 0.016 1 1121 455 143 SER N N 117.407 0.000 1 1122 456 144 TYR H H 7.715 0.003 1 1123 456 144 TYR HA H 4.416 0.004 1 1124 456 144 TYR HB2 H 3.168 0.009 2 1125 456 144 TYR HB3 H 3.394 0.001 2 1126 456 144 TYR HD1 H 7.148 0.003 1 1127 456 144 TYR HE1 H 6.897 0.000 1 1128 456 144 TYR C C 176.619 0.048 1 1129 456 144 TYR CA C 61.632 0.194 1 1130 456 144 TYR CB C 38.268 0.154 1 1131 456 144 TYR CD1 C 133.270 0.000 1 1132 456 144 TYR CE1 C 118.426 0.000 1 1133 456 144 TYR N N 123.473 0.000 1 1134 457 145 LEU H H 8.932 0.001 1 1135 457 145 LEU HD1 H 1.049 0.000 2 1136 457 145 LEU HD2 H 1.322 0.000 2 1137 457 145 LEU C C 178.113 0.017 1 1138 457 145 LEU CA C 58.646 0.057 1 1139 457 145 LEU CB C 42.475 0.062 1 1140 457 145 LEU CD1 C 26.327 0.000 1 1141 457 145 LEU CD2 C 23.797 0.000 1 1142 457 145 LEU N N 119.477 0.000 1 1143 458 146 THR H H 8.455 0.018 1 1144 458 146 THR HA H 3.894 0.003 1 1145 458 146 THR HB H 4.377 0.008 1 1146 458 146 THR HG2 H 1.318 0.001 1 1147 458 146 THR C C 175.942 0.000 1 1148 458 146 THR CA C 67.735 0.137 1 1149 458 146 THR CB C 69.154 0.058 1 1150 458 146 THR CG2 C 21.408 0.000 1 1151 458 146 THR N N 114.886 0.000 1 1152 459 147 GLN H H 7.807 0.000 1 1153 459 147 GLN HA H 4.163 0.000 1 1154 459 147 GLN C C 178.406 0.136 1 1155 459 147 GLN CA C 59.416 0.063 1 1156 459 147 GLN CB C 28.184 0.020 1 1157 459 147 GLN N N 122.809 0.000 1 1158 460 148 GLN H H 8.368 0.000 1 1159 460 148 GLN HA H 3.984 0.000 1 1160 460 148 GLN HB2 H 2.295 0.000 2 1161 460 148 GLN HB3 H 2.295 0.000 2 1162 460 148 GLN C C 176.791 0.058 1 1163 460 148 GLN CA C 57.996 0.103 1 1164 460 148 GLN CB C 28.120 0.036 1 1165 460 148 GLN N N 118.997 0.000 1 1166 461 149 PHE H H 8.851 0.001 1 1167 461 149 PHE HA H 3.870 0.011 1 1168 461 149 PHE HB2 H 3.131 0.000 2 1169 461 149 PHE HB3 H 3.162 0.000 2 1170 461 149 PHE HD1 H 7.160 0.000 1 1171 461 149 PHE HE1 H 7.329 0.000 1 1172 461 149 PHE HZ H 7.262 0.000 1 1173 461 149 PHE C C 176.252 0.022 1 1174 461 149 PHE CA C 62.513 0.047 1 1175 461 149 PHE CB C 38.799 0.063 1 1176 461 149 PHE CD1 C 131.330 0.000 1 1177 461 149 PHE CE1 C 131.651 0.000 1 1178 461 149 PHE CZ C 129.908 0.000 1 1179 461 149 PHE N N 120.527 0.000 1 1180 462 150 THR H H 8.104 0.002 1 1181 462 150 THR HA H 4.438 0.016 1 1182 462 150 THR HG2 H 1.278 0.000 1 1183 462 150 THR C C 175.383 0.000 1 1184 462 150 THR CA C 66.444 0.063 1 1185 462 150 THR CB C 69.116 0.023 1 1186 462 150 THR CG2 C 21.661 0.000 1 1187 462 150 THR N N 113.735 0.000 1 1188 463 151 ALA H H 7.634 0.007 1 1189 463 151 ALA HA H 4.097 0.010 1 1190 463 151 ALA HB H 1.468 0.012 1 1191 463 151 ALA C C 178.499 0.024 1 1192 463 151 ALA CA C 54.750 0.115 1 1193 463 151 ALA CB C 18.274 0.086 1 1194 463 151 ALA N N 122.231 0.032 1 1195 464 152 MET H H 7.737 0.003 1 1196 464 152 MET HA H 4.330 0.000 1 1197 464 152 MET HB2 H 2.112 0.000 2 1198 464 152 MET HB3 H 2.112 0.000 2 1199 464 152 MET HG2 H 2.636 0.000 2 1200 464 152 MET HG3 H 2.636 0.000 2 1201 464 152 MET HE H 2.110 0.000 1 1202 464 152 MET C C 175.210 0.005 1 1203 464 152 MET CA C 55.977 0.166 1 1204 464 152 MET CB C 33.188 0.128 1 1205 464 152 MET CG C 32.100 0.007 1 1206 464 152 MET CE C 18.242 0.000 1 1207 464 152 MET N N 114.976 0.000 1 1208 465 153 ASN H H 7.693 0.000 1 1209 465 153 ASN HA H 4.408 0.000 1 1210 465 153 ASN HB2 H 1.881 0.017 2 1211 465 153 ASN HB3 H 2.337 0.007 2 1212 465 153 ASN C C 173.657 0.017 1 1213 465 153 ASN CA C 53.720 0.028 1 1214 465 153 ASN CB C 39.489 0.050 1 1215 465 153 ASN N N 117.198 0.000 1 1216 466 154 LYS H H 7.658 0.000 1 1217 466 154 LYS HA H 4.298 0.000 1 1218 466 154 LYS HB2 H 1.746 0.000 2 1219 466 154 LYS HB3 H 1.836 0.013 2 1220 466 154 LYS HG2 H 1.412 0.000 2 1221 466 154 LYS HG3 H 1.422 0.000 2 1222 466 154 LYS HD2 H 1.646 0.000 2 1223 466 154 LYS HD3 H 1.646 0.000 2 1224 466 154 LYS HE2 H 2.970 0.000 2 1225 466 154 LYS HE3 H 2.970 0.000 2 1226 466 154 LYS C C 174.607 0.027 1 1227 466 154 LYS CA C 56.505 0.101 1 1228 466 154 LYS CB C 32.769 0.206 1 1229 466 154 LYS CG C 24.384 0.021 1 1230 466 154 LYS CD C 28.980 0.002 1 1231 466 154 LYS CE C 42.249 0.005 1 1232 466 154 LYS N N 122.029 0.000 1 1233 467 155 SER H H 7.894 0.000 1 1234 467 155 SER C C 177.849 0.000 1 1235 467 155 SER CA C 60.523 0.101 1 1236 467 155 SER CB C 64.920 0.000 1 1237 467 155 SER N N 123.304 0.000 1 stop_ save_