data_18653 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Bacterial Intein-Like domain from Clostridium thermocellum ; _BMRB_accession_number 18653 _BMRB_flat_file_name bmr18653.str _Entry_type original _Submission_date 2012-08-09 _Accession_date 2012-08-09 _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 Aranko 'A. Sesilja' . . 2 Oeemig Jesper S. . 3 Iwai Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 787 "13C chemical shifts" 607 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-10 update BMRB 'update entry citation' 2013-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for protein trans-splicing by a bacterial intein-like domain - protein ligation without nucleophilic side chains.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23621571 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aranko 'A. Sesilja' . . 2 Oeemig Jesper S. . 3 Iwai Hideo . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 280 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3256 _Page_last 3269 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bacterial Intein-Like domain from Clostridium thermocellum' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bacterial Intein-Like domain from Clostridium thermocellum' $CthBIL4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CthBIL4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CthBIL4 _Molecular_mass 15297.629 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; SMKAFVAGTMILTATGLVAI ENIKAGDKVIATNPETFEVA EKTVLETYVRETTELLHLTI GGEVIKTTFDHPFYVKDVGF VEAGKLQVGDKLLDSRGNVL VVEEKKLEIADKPVKVYNFK VDDFHTYHVGDNEVLVHN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 SER 2 -2 MET 3 -1 LYS 4 1 ALA 5 2 PHE 6 3 VAL 7 4 ALA 8 5 GLY 9 6 THR 10 7 MET 11 8 ILE 12 9 LEU 13 10 THR 14 11 ALA 15 12 THR 16 13 GLY 17 14 LEU 18 15 VAL 19 16 ALA 20 17 ILE 21 18 GLU 22 19 ASN 23 20 ILE 24 21 LYS 25 22 ALA 26 23 GLY 27 24 ASP 28 25 LYS 29 26 VAL 30 27 ILE 31 28 ALA 32 29 THR 33 30 ASN 34 31 PRO 35 32 GLU 36 33 THR 37 34 PHE 38 35 GLU 39 36 VAL 40 37 ALA 41 38 GLU 42 39 LYS 43 40 THR 44 41 VAL 45 42 LEU 46 43 GLU 47 44 THR 48 45 TYR 49 46 VAL 50 47 ARG 51 48 GLU 52 49 THR 53 50 THR 54 51 GLU 55 52 LEU 56 53 LEU 57 54 HIS 58 55 LEU 59 56 THR 60 57 ILE 61 58 GLY 62 59 GLY 63 60 GLU 64 61 VAL 65 62 ILE 66 63 LYS 67 64 THR 68 65 THR 69 66 PHE 70 67 ASP 71 68 HIS 72 69 PRO 73 70 PHE 74 71 TYR 75 72 VAL 76 73 LYS 77 74 ASP 78 75 VAL 79 76 GLY 80 77 PHE 81 78 VAL 82 79 GLU 83 80 ALA 84 81 GLY 85 82 LYS 86 83 LEU 87 84 GLN 88 85 VAL 89 86 GLY 90 87 ASP 91 88 LYS 92 89 LEU 93 90 LEU 94 91 ASP 95 92 SER 96 93 ARG 97 94 GLY 98 95 ASN 99 96 VAL 100 97 LEU 101 98 VAL 102 99 VAL 103 100 GLU 104 101 GLU 105 102 LYS 106 103 LYS 107 104 LEU 108 105 GLU 109 106 ILE 110 107 ALA 111 108 ASP 112 109 LYS 113 110 PRO 114 111 VAL 115 112 LYS 116 113 VAL 117 114 TYR 118 115 ASN 119 116 PHE 120 117 LYS 121 118 VAL 122 119 ASP 123 120 ASP 124 121 PHE 125 122 HIS 126 123 THR 127 124 TYR 128 125 HIS 129 126 VAL 130 127 GLY 131 128 ASP 132 129 ASN 133 130 GLU 134 131 VAL 135 132 LEU 136 133 VAL 137 134 HIS 138 135 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LWY "Solution Structure Of Bacterial Intein-like Domain From Clostridium Thermocellum" 100.00 138 100.00 100.00 3.09e-91 DBJ GAE90859 "hypothetical protein JCM21531_4507 [[Clostridium] straminisolvens JCM 21531]" 93.48 250 98.45 98.45 7.24e-81 GB ABN53254 "protein of unknown function DUF1557 [Ruminiclostridium thermocellum ATCC 27405]" 100.00 566 98.55 99.28 1.08e-86 GB EIC12360 "hypothetical protein AD2_3035, partial [Ruminiclostridium thermocellum AD2]" 50.00 93 97.10 98.55 1.11e-38 REF WP_038291414 "Hedgehog/intein hint domain-containing protein, partial [[Clostridium] straminisolvens]" 94.20 251 98.46 98.46 1.68e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CthBIL4 'Clostridium thermocellum' 1515 Bacteria . Clostridium thermocellum 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 $CthBIL4 'recombinant technology' . Escherichia coli ER2566 pSCFRSF17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CthBIL4 1.2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _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_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Geerten W. Vuister' . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0 na indirect . . . 0.2514 water H 1 protons ppm 4.75 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 117.8 na direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bacterial Intein-Like domain from Clostridium thermocellum' _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 -2 2 MET HA H 4.590 0.020 1 2 -2 2 MET HB2 H 2.006 0.020 1 3 -2 2 MET HB3 H 2.148 0.020 1 4 -2 2 MET HG2 H 2.464 0.020 1 5 -2 2 MET HG3 H 2.464 0.020 1 6 -2 2 MET HE H 2.043 0.020 1 7 -2 2 MET CA C 56.060 0.300 1 8 -2 2 MET CB C 33.678 0.300 1 9 -2 2 MET CG C 31.972 0.300 1 10 -2 2 MET CE C 16.824 0.300 1 11 -1 3 LYS HA H 3.993 0.020 1 12 -1 3 LYS HB2 H 1.681 0.020 1 13 -1 3 LYS HB3 H 1.620 0.020 1 14 -1 3 LYS HG2 H 1.104 0.020 1 15 -1 3 LYS HG3 H 0.941 0.020 1 16 -1 3 LYS HD2 H 1.272 0.020 1 17 -1 3 LYS HD3 H 1.280 0.020 1 18 -1 3 LYS HE2 H 2.835 0.020 1 19 -1 3 LYS HE3 H 2.738 0.020 1 20 -1 3 LYS C C 173.848 0.300 1 21 -1 3 LYS CA C 57.777 0.300 1 22 -1 3 LYS CB C 31.842 0.300 1 23 -1 3 LYS CG C 24.454 0.300 1 24 -1 3 LYS CD C 29.673 0.300 1 25 -1 3 LYS CE C 41.247 0.300 1 26 1 4 ALA H H 8.055 0.020 1 27 1 4 ALA HA H 4.573 0.020 1 28 1 4 ALA HB H 1.172 0.020 1 29 1 4 ALA C C 174.063 0.300 1 30 1 4 ALA CA C 52.069 0.300 1 31 1 4 ALA CB C 23.298 0.300 1 32 1 4 ALA N N 124.986 0.300 1 33 2 5 PHE H H 8.797 0.020 1 34 2 5 PHE HA H 5.206 0.020 1 35 2 5 PHE HB2 H 2.845 0.020 1 36 2 5 PHE HB3 H 3.860 0.020 1 37 2 5 PHE HD1 H 7.278 0.020 1 38 2 5 PHE HD2 H 7.278 0.020 1 39 2 5 PHE C C 176.921 0.300 1 40 2 5 PHE CA C 57.741 0.300 1 41 2 5 PHE CB C 44.417 0.300 1 42 2 5 PHE CD1 C 132.163 0.300 1 43 2 5 PHE CD2 C 132.163 0.300 1 44 2 5 PHE N N 112.118 0.300 1 45 3 6 VAL H H 7.298 0.020 1 46 3 6 VAL HA H 4.657 0.020 1 47 3 6 VAL HB H 2.563 0.020 1 48 3 6 VAL HG1 H 1.067 0.020 1 49 3 6 VAL HG2 H 1.164 0.020 1 50 3 6 VAL C C 176.712 0.300 1 51 3 6 VAL CA C 62.009 0.300 1 52 3 6 VAL CB C 33.703 0.300 1 53 3 6 VAL CG1 C 22.874 0.300 1 54 3 6 VAL CG2 C 20.438 0.300 1 55 3 6 VAL N N 111.048 0.300 1 56 4 7 ALA H H 8.990 0.020 1 57 4 7 ALA HA H 4.063 0.020 1 58 4 7 ALA HB H 1.406 0.020 1 59 4 7 ALA C C 178.850 0.300 1 60 4 7 ALA CA C 53.424 0.300 1 61 4 7 ALA CB C 18.608 0.300 1 62 4 7 ALA N N 123.562 0.300 1 63 5 8 GLY H H 11.185 0.020 1 64 5 8 GLY HA2 H 3.550 0.020 1 65 5 8 GLY HA3 H 4.235 0.020 1 66 5 8 GLY C C 174.404 0.300 1 67 5 8 GLY CA C 44.870 0.300 1 68 5 8 GLY N N 113.845 0.300 1 69 6 9 THR H H 7.605 0.020 1 70 6 9 THR HA H 4.080 0.020 1 71 6 9 THR HB H 4.012 0.020 1 72 6 9 THR HG2 H 1.020 0.020 1 73 6 9 THR C C 173.996 0.300 1 74 6 9 THR CA C 64.719 0.300 1 75 6 9 THR CB C 68.787 0.300 1 76 6 9 THR CG2 C 20.317 0.300 1 77 6 9 THR N N 118.112 0.300 1 78 7 10 MET H H 8.903 0.020 1 79 7 10 MET HA H 4.633 0.020 1 80 7 10 MET HB2 H 1.644 0.020 1 81 7 10 MET HB3 H 1.739 0.020 1 82 7 10 MET HG2 H 2.670 0.020 1 83 7 10 MET HG3 H 2.845 0.020 1 84 7 10 MET HE H 1.925 0.020 1 85 7 10 MET C C 174.860 0.300 1 86 7 10 MET CA C 54.306 0.300 1 87 7 10 MET CB C 34.117 0.300 1 88 7 10 MET CG C 32.613 0.300 1 89 7 10 MET CE C 18.344 0.300 1 90 7 10 MET N N 127.839 0.300 1 91 8 11 ILE H H 9.209 0.020 1 92 8 11 ILE HA H 5.056 0.020 1 93 8 11 ILE HB H 2.124 0.020 1 94 8 11 ILE HG12 H 1.075 0.020 1 95 8 11 ILE HG13 H 1.847 0.020 1 96 8 11 ILE HG2 H 0.979 0.020 1 97 8 11 ILE HD1 H 0.784 0.020 1 98 8 11 ILE C C 176.593 0.300 1 99 8 11 ILE CA C 56.701 0.300 1 100 8 11 ILE CB C 38.058 0.300 1 101 8 11 ILE CG1 C 26.731 0.300 1 102 8 11 ILE CG2 C 18.279 0.300 1 103 8 11 ILE CD1 C 10.637 0.300 1 104 8 11 ILE N N 121.674 0.300 1 105 9 12 LEU H H 7.450 0.020 1 106 9 12 LEU HA H 4.335 0.020 1 107 9 12 LEU HB2 H 2.181 0.020 1 108 9 12 LEU HB3 H 1.697 0.020 1 109 9 12 LEU HG H 1.202 0.020 1 110 9 12 LEU HD1 H 0.797 0.020 1 111 9 12 LEU HD2 H 0.548 0.020 1 112 9 12 LEU C C 176.433 0.300 1 113 9 12 LEU CA C 56.924 0.300 1 114 9 12 LEU CB C 42.602 0.300 1 115 9 12 LEU CG C 26.692 0.300 1 116 9 12 LEU CD1 C 22.393 0.300 1 117 9 12 LEU CD2 C 25.855 0.300 1 118 9 12 LEU N N 125.881 0.300 1 119 10 13 THR H H 7.955 0.020 1 120 10 13 THR HA H 4.914 0.020 1 121 10 13 THR HB H 4.512 0.020 1 122 10 13 THR HG2 H 1.215 0.020 1 123 10 13 THR C C 174.693 0.300 1 124 10 13 THR CA C 60.602 0.300 1 125 10 13 THR CB C 72.434 0.300 1 126 10 13 THR CG2 C 20.810 0.300 1 127 10 13 THR N N 120.194 0.300 1 128 11 14 ALA H H 9.818 0.020 1 129 11 14 ALA HA H 4.064 0.020 1 130 11 14 ALA HB H 1.365 0.020 1 131 11 14 ALA C C 178.278 0.300 1 132 11 14 ALA CA C 54.498 0.300 1 133 11 14 ALA CB C 19.069 0.300 1 134 11 14 ALA N N 123.027 0.300 1 135 12 15 THR H H 7.875 0.020 1 136 12 15 THR HA H 4.457 0.020 1 137 12 15 THR HB H 4.435 0.020 1 138 12 15 THR HG2 H 1.059 0.020 1 139 12 15 THR C C 173.688 0.300 1 140 12 15 THR CA C 60.527 0.300 1 141 12 15 THR CB C 68.531 0.300 1 142 12 15 THR CG2 C 21.184 0.300 1 143 12 15 THR N N 105.051 0.300 1 144 13 16 GLY H H 7.243 0.020 1 145 13 16 GLY HA2 H 3.718 0.020 1 146 13 16 GLY HA3 H 4.588 0.020 1 147 13 16 GLY C C 173.970 0.300 1 148 13 16 GLY CA C 43.687 0.300 1 149 13 16 GLY N N 109.533 0.300 1 150 14 17 LEU H H 8.675 0.020 1 151 14 17 LEU HA H 4.994 0.020 1 152 14 17 LEU HB2 H 1.674 0.020 1 153 14 17 LEU HB3 H 1.258 0.020 1 154 14 17 LEU HG H 1.667 0.020 1 155 14 17 LEU HD1 H 0.775 0.020 1 156 14 17 LEU HD2 H 0.942 0.020 1 157 14 17 LEU C C 177.494 0.300 1 158 14 17 LEU CA C 54.913 0.300 1 159 14 17 LEU CB C 42.709 0.300 1 160 14 17 LEU CG C 27.223 0.300 1 161 14 17 LEU CD1 C 23.274 0.300 1 162 14 17 LEU CD2 C 25.937 0.300 1 163 14 17 LEU N N 123.454 0.300 1 164 15 18 VAL H H 9.141 0.020 1 165 15 18 VAL HA H 4.102 0.020 1 166 15 18 VAL HB H 1.606 0.020 1 167 15 18 VAL HG1 H 0.814 0.020 1 168 15 18 VAL HG2 H 0.721 0.020 1 169 15 18 VAL C C 174.428 0.300 1 170 15 18 VAL CA C 60.819 0.300 1 171 15 18 VAL CB C 36.259 0.300 1 172 15 18 VAL CG1 C 20.651 0.300 1 173 15 18 VAL CG2 C 21.826 0.300 1 174 15 18 VAL N N 124.722 0.300 1 175 16 19 ALA H H 8.643 0.020 1 176 16 19 ALA HA H 4.200 0.020 1 177 16 19 ALA HB H 1.231 0.020 1 178 16 19 ALA C C 180.274 0.300 1 179 16 19 ALA CA C 53.293 0.300 1 180 16 19 ALA CB C 18.278 0.300 1 181 16 19 ALA N N 130.301 0.300 1 182 17 20 ILE H H 8.782 0.020 1 183 17 20 ILE HA H 3.703 0.020 1 184 17 20 ILE HB H 1.908 0.020 1 185 17 20 ILE HG12 H 1.160 0.020 1 186 17 20 ILE HG13 H 1.586 0.020 1 187 17 20 ILE HG2 H 1.028 0.020 1 188 17 20 ILE HD1 H 1.165 0.020 1 189 17 20 ILE C C 175.538 0.300 1 190 17 20 ILE CA C 65.577 0.300 1 191 17 20 ILE CB C 37.950 0.300 1 192 17 20 ILE CG1 C 28.890 0.300 1 193 17 20 ILE CG2 C 16.482 0.300 1 194 17 20 ILE CD1 C 16.332 0.300 1 195 17 20 ILE N N 121.933 0.300 1 196 18 21 GLU H H 10.460 0.020 1 197 18 21 GLU HA H 3.542 0.020 1 198 18 21 GLU HB2 H 1.542 0.020 1 199 18 21 GLU HB3 H 0.739 0.020 1 200 18 21 GLU HG2 H 2.123 0.020 1 201 18 21 GLU HG3 H 1.723 0.020 1 202 18 21 GLU C C 176.312 0.300 1 203 18 21 GLU CA C 57.971 0.300 1 204 18 21 GLU CB C 26.596 0.300 1 205 18 21 GLU CG C 34.358 0.300 1 206 18 21 GLU N N 123.779 0.300 1 207 19 22 ASN H H 8.376 0.020 1 208 19 22 ASN HA H 4.670 0.020 1 209 19 22 ASN HB2 H 2.835 0.020 1 210 19 22 ASN HB3 H 2.672 0.020 1 211 19 22 ASN HD21 H 6.944 0.020 1 212 19 22 ASN HD22 H 7.148 0.020 1 213 19 22 ASN C C 175.215 0.300 1 214 19 22 ASN CA C 52.766 0.300 1 215 19 22 ASN CB C 39.131 0.300 1 216 19 22 ASN N N 119.585 0.300 1 217 19 22 ASN ND2 N 112.275 0.300 1 218 20 23 ILE H H 7.189 0.020 1 219 20 23 ILE HA H 3.810 0.020 1 220 20 23 ILE HB H 1.763 0.020 1 221 20 23 ILE HG12 H 0.787 0.020 1 222 20 23 ILE HG13 H 1.205 0.020 1 223 20 23 ILE HG2 H -0.194 0.020 1 224 20 23 ILE HD1 H 0.198 0.020 1 225 20 23 ILE C C 175.355 0.300 1 226 20 23 ILE CA C 59.620 0.300 1 227 20 23 ILE CB C 34.841 0.300 1 228 20 23 ILE CG1 C 26.726 0.300 1 229 20 23 ILE CG2 C 17.161 0.300 1 230 20 23 ILE CD1 C 8.721 0.300 1 231 20 23 ILE N N 123.548 0.300 1 232 21 24 LYS H H 8.804 0.020 1 233 21 24 LYS HA H 4.540 0.020 1 234 21 24 LYS HB2 H 1.584 0.020 1 235 21 24 LYS HB3 H 1.585 0.020 1 236 21 24 LYS HG2 H 1.249 0.020 1 237 21 24 LYS HG3 H 1.355 0.020 1 238 21 24 LYS HD2 H 1.611 0.020 1 239 21 24 LYS HD3 H 1.611 0.020 1 240 21 24 LYS HE2 H 2.982 0.020 1 241 21 24 LYS HE3 H 2.982 0.020 1 242 21 24 LYS C C 175.284 0.300 1 243 21 24 LYS CA C 53.748 0.300 1 244 21 24 LYS CB C 35.409 0.300 1 245 21 24 LYS CG C 23.268 0.300 1 246 21 24 LYS CD C 28.619 0.300 1 247 21 24 LYS CE C 41.831 0.300 1 248 21 24 LYS N N 129.166 0.300 1 249 22 25 ALA H H 8.546 0.020 1 250 22 25 ALA HA H 3.683 0.020 1 251 22 25 ALA HB H 1.194 0.020 1 252 22 25 ALA C C 178.497 0.300 1 253 22 25 ALA CA C 53.468 0.300 1 254 22 25 ALA CB C 17.422 0.300 1 255 22 25 ALA N N 122.662 0.300 1 256 23 26 GLY H H 9.153 0.020 1 257 23 26 GLY HA2 H 3.400 0.020 1 258 23 26 GLY HA3 H 4.476 0.020 1 259 23 26 GLY C C 174.995 0.300 1 260 23 26 GLY CA C 44.981 0.300 1 261 23 26 GLY N N 113.182 0.300 1 262 24 27 ASP H H 7.967 0.020 1 263 24 27 ASP HA H 4.580 0.020 1 264 24 27 ASP HB2 H 2.750 0.020 1 265 24 27 ASP HB3 H 2.485 0.020 1 266 24 27 ASP C C 174.302 0.300 1 267 24 27 ASP CA C 54.980 0.300 1 268 24 27 ASP CB C 41.069 0.300 1 269 24 27 ASP N N 121.855 0.300 1 270 25 28 LYS H H 8.151 0.020 1 271 25 28 LYS HA H 5.224 0.020 1 272 25 28 LYS HB2 H 1.465 0.020 1 273 25 28 LYS HB3 H 1.645 0.020 1 274 25 28 LYS HG2 H 1.419 0.020 1 275 25 28 LYS HG3 H 1.208 0.020 1 276 25 28 LYS HD2 H 1.445 0.020 1 277 25 28 LYS HD3 H 1.445 0.020 1 278 25 28 LYS HE2 H 2.868 0.020 1 279 25 28 LYS HE3 H 2.868 0.020 1 280 25 28 LYS C C 177.557 0.300 1 281 25 28 LYS CA C 54.902 0.300 1 282 25 28 LYS CB C 34.978 0.300 1 283 25 28 LYS CG C 25.205 0.300 1 284 25 28 LYS CD C 29.296 0.300 1 285 25 28 LYS CE C 42.144 0.300 1 286 25 28 LYS N N 116.065 0.300 1 287 26 29 VAL H H 8.973 0.020 1 288 26 29 VAL HA H 4.734 0.020 1 289 26 29 VAL HB H 2.580 0.020 1 290 26 29 VAL HG1 H 0.558 0.020 1 291 26 29 VAL HG2 H 0.896 0.020 1 292 26 29 VAL C C 174.310 0.300 1 293 26 29 VAL CA C 58.634 0.300 1 294 26 29 VAL CB C 34.552 0.300 1 295 26 29 VAL CG1 C 21.428 0.300 1 296 26 29 VAL CG2 C 18.603 0.300 1 297 26 29 VAL N N 115.247 0.300 1 298 27 30 ILE H H 7.542 0.020 1 299 27 30 ILE HA H 4.255 0.020 1 300 27 30 ILE HB H 1.573 0.020 1 301 27 30 ILE HG12 H 1.064 0.020 1 302 27 30 ILE HG13 H 1.191 0.020 1 303 27 30 ILE HG2 H 0.648 0.020 1 304 27 30 ILE HD1 H 0.553 0.020 1 305 27 30 ILE C C 173.577 0.300 1 306 27 30 ILE CA C 59.751 0.300 1 307 27 30 ILE CB C 35.299 0.300 1 308 27 30 ILE CG1 C 27.009 0.300 1 309 27 30 ILE CG2 C 17.486 0.300 1 310 27 30 ILE CD1 C 9.274 0.300 1 311 27 30 ILE N N 119.280 0.300 1 312 28 31 ALA H H 9.121 0.020 1 313 28 31 ALA HA H 4.892 0.020 1 314 28 31 ALA HB H 1.558 0.020 1 315 28 31 ALA C C 174.752 0.300 1 316 28 31 ALA CA C 50.901 0.300 1 317 28 31 ALA CB C 24.612 0.300 1 318 28 31 ALA N N 131.344 0.300 1 319 29 32 THR H H 6.949 0.020 1 320 29 32 THR HA H 5.058 0.020 1 321 29 32 THR HB H 3.655 0.020 1 322 29 32 THR HG2 H 0.605 0.020 1 323 29 32 THR C C 174.545 0.300 1 324 29 32 THR CA C 61.234 0.300 1 325 29 32 THR CB C 70.450 0.300 1 326 29 32 THR CG2 C 20.780 0.300 1 327 29 32 THR N N 115.120 0.300 1 328 30 33 ASN H H 8.714 0.020 1 329 30 33 ASN HA H 3.637 0.020 1 330 30 33 ASN HB2 H 2.501 0.020 1 331 30 33 ASN HB3 H 0.536 0.020 1 332 30 33 ASN HD21 H 7.477 0.020 1 333 30 33 ASN HD22 H 6.404 0.020 1 334 30 33 ASN C C 173.811 0.300 1 335 30 33 ASN CA C 50.190 0.300 1 336 30 33 ASN CB C 38.014 0.300 1 337 30 33 ASN N N 129.884 0.300 1 338 30 33 ASN ND2 N 115.944 0.300 1 339 31 34 PRO HA H 3.440 0.020 1 340 31 34 PRO HB2 H 1.767 0.020 1 341 31 34 PRO HB3 H 2.130 0.020 1 342 31 34 PRO HG2 H 2.020 0.020 1 343 31 34 PRO HG3 H 2.151 0.020 1 344 31 34 PRO HD2 H 4.100 0.020 1 345 31 34 PRO HD3 H 3.677 0.020 1 346 31 34 PRO C C 174.227 0.300 1 347 31 34 PRO CA C 63.718 0.300 1 348 31 34 PRO CB C 31.617 0.300 1 349 31 34 PRO CG C 27.556 0.300 1 350 31 34 PRO CD C 49.837 0.300 1 351 32 35 GLU H H 7.922 0.020 1 352 32 35 GLU HA H 4.214 0.020 1 353 32 35 GLU HB2 H 1.936 0.020 1 354 32 35 GLU HB3 H 1.966 0.020 1 355 32 35 GLU HG2 H 2.146 0.020 1 356 32 35 GLU HG3 H 2.254 0.020 1 357 32 35 GLU C C 177.341 0.300 1 358 32 35 GLU CA C 57.683 0.300 1 359 32 35 GLU CB C 30.722 0.300 1 360 32 35 GLU CG C 36.605 0.300 1 361 32 35 GLU N N 115.413 0.300 1 362 33 36 THR H H 6.758 0.020 1 363 33 36 THR HA H 4.298 0.020 1 364 33 36 THR HB H 4.303 0.020 1 365 33 36 THR HG2 H 1.022 0.020 1 366 33 36 THR C C 175.327 0.300 1 367 33 36 THR CA C 61.096 0.300 1 368 33 36 THR CB C 70.626 0.300 1 369 33 36 THR CG2 C 21.288 0.300 1 370 33 36 THR N N 105.462 0.300 1 371 34 37 PHE H H 8.274 0.020 1 372 34 37 PHE HA H 3.590 0.020 1 373 34 37 PHE HB2 H 2.984 0.020 1 374 34 37 PHE HB3 H 3.269 0.020 1 375 34 37 PHE HD1 H 6.804 0.020 1 376 34 37 PHE HD2 H 6.804 0.020 1 377 34 37 PHE C C 174.357 0.300 1 378 34 37 PHE CA C 61.314 0.300 1 379 34 37 PHE CB C 35.126 0.300 1 380 34 37 PHE CD1 C 131.253 0.300 1 381 34 37 PHE CD2 C 131.253 0.300 1 382 34 37 PHE N N 117.682 0.300 1 383 35 38 GLU H H 7.464 0.020 1 384 35 38 GLU HA H 4.218 0.020 1 385 35 38 GLU HB2 H 1.807 0.020 1 386 35 38 GLU HB3 H 1.807 0.020 1 387 35 38 GLU HG2 H 2.314 0.020 1 388 35 38 GLU HG3 H 2.161 0.020 1 389 35 38 GLU C C 174.440 0.300 1 390 35 38 GLU CA C 57.081 0.300 1 391 35 38 GLU CB C 31.047 0.300 1 392 35 38 GLU CG C 36.782 0.300 1 393 35 38 GLU N N 118.706 0.300 1 394 36 39 VAL H H 8.366 0.020 1 395 36 39 VAL HA H 5.089 0.020 1 396 36 39 VAL HB H 1.830 0.020 1 397 36 39 VAL HG1 H 0.807 0.020 1 398 36 39 VAL HG2 H 0.995 0.020 1 399 36 39 VAL C C 176.473 0.300 1 400 36 39 VAL CA C 61.186 0.300 1 401 36 39 VAL CB C 33.864 0.300 1 402 36 39 VAL CG1 C 21.362 0.300 1 403 36 39 VAL CG2 C 21.569 0.300 1 404 36 39 VAL N N 124.622 0.300 1 405 37 40 ALA H H 9.443 0.020 1 406 37 40 ALA HA H 4.698 0.020 1 407 37 40 ALA HB H 1.351 0.020 1 408 37 40 ALA C C 175.293 0.300 1 409 37 40 ALA CA C 51.183 0.300 1 410 37 40 ALA CB C 23.860 0.300 1 411 37 40 ALA N N 128.861 0.300 1 412 38 41 GLU H H 8.442 0.020 1 413 38 41 GLU HA H 4.926 0.020 1 414 38 41 GLU HB2 H 1.846 0.020 1 415 38 41 GLU HB3 H 1.781 0.020 1 416 38 41 GLU HG2 H 2.183 0.020 1 417 38 41 GLU HG3 H 1.938 0.020 1 418 38 41 GLU C C 176.911 0.300 1 419 38 41 GLU CA C 56.244 0.300 1 420 38 41 GLU CB C 31.844 0.300 1 421 38 41 GLU CG C 38.326 0.300 1 422 38 41 GLU N N 118.675 0.300 1 423 39 42 LYS H H 9.238 0.020 1 424 39 42 LYS HA H 4.769 0.020 1 425 39 42 LYS HB2 H 1.466 0.020 1 426 39 42 LYS HB3 H 1.930 0.020 1 427 39 42 LYS HG2 H 0.714 0.020 1 428 39 42 LYS HG3 H 0.683 0.020 1 429 39 42 LYS HD2 H 1.782 0.020 1 430 39 42 LYS HD3 H 1.782 0.020 1 431 39 42 LYS C C 175.433 0.300 1 432 39 42 LYS CA C 52.548 0.300 1 433 39 42 LYS CB C 37.901 0.300 1 434 39 42 LYS CG C 24.776 0.300 1 435 39 42 LYS CD C 28.138 0.300 1 436 39 42 LYS CE C 42.907 0.300 1 437 39 42 LYS N N 123.717 0.300 1 438 40 43 THR H H 8.592 0.020 1 439 40 43 THR HA H 4.324 0.020 1 440 40 43 THR HB H 3.842 0.020 1 441 40 43 THR HG2 H 1.104 0.020 1 442 40 43 THR C C 173.538 0.300 1 443 40 43 THR CA C 64.019 0.300 1 444 40 43 THR CB C 70.034 0.300 1 445 40 43 THR CG2 C 22.177 0.300 1 446 40 43 THR N N 117.281 0.300 1 447 41 44 VAL H H 9.148 0.020 1 448 41 44 VAL HA H 4.318 0.020 1 449 41 44 VAL HB H 2.007 0.020 1 450 41 44 VAL HG1 H 0.573 0.020 1 451 41 44 VAL HG2 H 0.582 0.020 1 452 41 44 VAL C C 176.728 0.300 1 453 41 44 VAL CA C 62.859 0.300 1 454 41 44 VAL CB C 31.400 0.300 1 455 41 44 VAL CG1 C 21.899 0.300 1 456 41 44 VAL CG2 C 22.414 0.300 1 457 41 44 VAL N N 126.480 0.300 1 458 42 45 LEU H H 9.101 0.020 1 459 42 45 LEU HA H 4.334 0.020 1 460 42 45 LEU HB2 H 1.482 0.020 1 461 42 45 LEU HB3 H 1.686 0.020 1 462 42 45 LEU HG H 1.632 0.020 1 463 42 45 LEU HD1 H 0.945 0.020 1 464 42 45 LEU HD2 H 0.785 0.020 1 465 42 45 LEU C C 176.761 0.300 1 466 42 45 LEU CA C 56.299 0.300 1 467 42 45 LEU CB C 44.302 0.300 1 468 42 45 LEU CG C 27.033 0.300 1 469 42 45 LEU CD1 C 25.563 0.300 1 470 42 45 LEU CD2 C 21.583 0.300 1 471 42 45 LEU N N 129.795 0.300 1 472 43 46 GLU H H 7.166 0.020 1 473 43 46 GLU HA H 4.569 0.020 1 474 43 46 GLU HB2 H 2.016 0.020 1 475 43 46 GLU HB3 H 1.903 0.020 1 476 43 46 GLU HG2 H 2.134 0.020 1 477 43 46 GLU HG3 H 2.061 0.020 1 478 43 46 GLU C C 173.593 0.300 1 479 43 46 GLU CA C 55.001 0.300 1 480 43 46 GLU CB C 33.495 0.300 1 481 43 46 GLU CG C 35.740 0.300 1 482 43 46 GLU N N 113.352 0.300 1 483 44 47 THR H H 8.422 0.020 1 484 44 47 THR HA H 4.734 0.020 1 485 44 47 THR HB H 4.597 0.020 1 486 44 47 THR HG2 H 0.928 0.020 1 487 44 47 THR C C 172.276 0.300 1 488 44 47 THR CA C 60.136 0.300 1 489 44 47 THR CB C 70.535 0.300 1 490 44 47 THR CG2 C 21.220 0.300 1 491 44 47 THR N N 112.246 0.300 1 492 45 48 TYR H H 8.792 0.020 1 493 45 48 TYR HA H 5.033 0.020 1 494 45 48 TYR HB2 H 3.076 0.020 1 495 45 48 TYR HB3 H 2.659 0.020 1 496 45 48 TYR HD1 H 6.940 0.020 1 497 45 48 TYR HD2 H 6.940 0.020 1 498 45 48 TYR HE1 H 6.631 0.020 1 499 45 48 TYR HE2 H 6.631 0.020 1 500 45 48 TYR C C 174.652 0.300 1 501 45 48 TYR CA C 56.790 0.300 1 502 45 48 TYR CB C 42.056 0.300 1 503 45 48 TYR CD1 C 133.726 0.300 1 504 45 48 TYR CD2 C 133.726 0.300 1 505 45 48 TYR CE1 C 118.223 0.300 1 506 45 48 TYR CE2 C 118.223 0.300 1 507 45 48 TYR N N 117.556 0.300 1 508 46 49 VAL H H 8.507 0.020 1 509 46 49 VAL HA H 4.676 0.020 1 510 46 49 VAL HB H 1.899 0.020 1 511 46 49 VAL HG1 H 0.908 0.020 1 512 46 49 VAL HG2 H 0.747 0.020 1 513 46 49 VAL C C 175.374 0.300 1 514 46 49 VAL CA C 61.236 0.300 1 515 46 49 VAL CB C 34.024 0.300 1 516 46 49 VAL CG1 C 21.573 0.300 1 517 46 49 VAL CG2 C 20.460 0.300 1 518 46 49 VAL N N 123.112 0.300 1 519 47 50 ARG H H 8.876 0.020 1 520 47 50 ARG HA H 4.713 0.020 1 521 47 50 ARG HB2 H 1.946 0.020 1 522 47 50 ARG HB3 H 1.349 0.020 1 523 47 50 ARG HG2 H 1.560 0.020 1 524 47 50 ARG HG3 H 1.528 0.020 1 525 47 50 ARG HD2 H 3.100 0.020 1 526 47 50 ARG HD3 H 3.277 0.020 1 527 47 50 ARG C C 173.683 0.300 1 528 47 50 ARG CA C 53.585 0.300 1 529 47 50 ARG CB C 34.262 0.300 1 530 47 50 ARG CG C 27.520 0.300 1 531 47 50 ARG CD C 43.192 0.300 1 532 47 50 ARG N N 127.567 0.300 1 533 48 51 GLU H H 8.020 0.020 1 534 48 51 GLU HA H 5.410 0.020 1 535 48 51 GLU HB2 H 1.759 0.020 1 536 48 51 GLU HB3 H 1.666 0.020 1 537 48 51 GLU HG2 H 2.051 0.020 1 538 48 51 GLU HG3 H 1.979 0.020 1 539 48 51 GLU C C 175.347 0.300 1 540 48 51 GLU CA C 54.906 0.300 1 541 48 51 GLU CB C 33.529 0.300 1 542 48 51 GLU CG C 36.548 0.300 1 543 48 51 GLU N N 116.171 0.300 1 544 49 52 THR H H 8.665 0.020 1 545 49 52 THR HA H 4.854 0.020 1 546 49 52 THR HB H 4.050 0.020 1 547 49 52 THR HG2 H 0.911 0.020 1 548 49 52 THR C C 171.947 0.300 1 549 49 52 THR CA C 59.768 0.300 1 550 49 52 THR CB C 69.994 0.300 1 551 49 52 THR CG2 C 19.699 0.300 1 552 49 52 THR N N 113.741 0.300 1 553 50 53 THR H H 8.014 0.020 1 554 50 53 THR HA H 4.516 0.020 1 555 50 53 THR HB H 4.716 0.020 1 556 50 53 THR HG2 H 0.905 0.020 1 557 50 53 THR C C 173.257 0.300 1 558 50 53 THR CA C 61.305 0.300 1 559 50 53 THR CB C 69.530 0.300 1 560 50 53 THR CG2 C 21.699 0.300 1 561 50 53 THR N N 113.434 0.300 1 562 51 54 GLU H H 8.113 0.020 1 563 51 54 GLU HA H 4.947 0.020 1 564 51 54 GLU HB2 H 1.843 0.020 1 565 51 54 GLU HB3 H 1.815 0.020 1 566 51 54 GLU HG2 H 1.985 0.020 1 567 51 54 GLU HG3 H 2.172 0.020 1 568 51 54 GLU C C 174.444 0.300 1 569 51 54 GLU CA C 55.907 0.300 1 570 51 54 GLU CB C 31.714 0.300 1 571 51 54 GLU CG C 36.830 0.300 1 572 51 54 GLU N N 123.399 0.300 1 573 52 55 LEU H H 8.801 0.020 1 574 52 55 LEU HA H 5.002 0.020 1 575 52 55 LEU HB2 H 1.317 0.020 1 576 52 55 LEU HB3 H 1.879 0.020 1 577 52 55 LEU HG H 1.414 0.020 1 578 52 55 LEU HD1 H 0.594 0.020 1 579 52 55 LEU HD2 H 0.788 0.020 1 580 52 55 LEU C C 174.486 0.300 1 581 52 55 LEU CA C 52.916 0.300 1 582 52 55 LEU CB C 46.242 0.300 1 583 52 55 LEU CG C 27.072 0.300 1 584 52 55 LEU CD1 C 23.761 0.300 1 585 52 55 LEU CD2 C 25.729 0.300 1 586 52 55 LEU N N 125.506 0.300 1 587 53 56 LEU H H 9.267 0.020 1 588 53 56 LEU HA H 4.913 0.020 1 589 53 56 LEU HB2 H 1.092 0.020 1 590 53 56 LEU HB3 H 1.525 0.020 1 591 53 56 LEU HG H 1.288 0.020 1 592 53 56 LEU HD1 H 0.656 0.020 1 593 53 56 LEU HD2 H 0.695 0.020 1 594 53 56 LEU C C 174.866 0.300 1 595 53 56 LEU CA C 52.946 0.300 1 596 53 56 LEU CB C 43.967 0.300 1 597 53 56 LEU CG C 27.646 0.300 1 598 53 56 LEU CD1 C 26.230 0.300 1 599 53 56 LEU CD2 C 24.487 0.300 1 600 53 56 LEU N N 125.116 0.300 1 601 54 57 HIS H H 9.565 0.020 1 602 54 57 HIS HA H 5.099 0.020 1 603 54 57 HIS HB2 H 3.217 0.020 1 604 54 57 HIS HB3 H 2.802 0.020 1 605 54 57 HIS HD2 H 6.698 0.020 1 606 54 57 HIS C C 175.279 0.300 1 607 54 57 HIS CA C 54.302 0.300 1 608 54 57 HIS CB C 31.638 0.300 1 609 54 57 HIS CD2 C 115.918 0.300 1 610 54 57 HIS N N 125.073 0.300 1 611 55 58 LEU H H 9.524 0.020 1 612 55 58 LEU HA H 4.991 0.020 1 613 55 58 LEU HB2 H 1.166 0.020 1 614 55 58 LEU HB3 H 1.707 0.020 1 615 55 58 LEU HG H 1.366 0.020 1 616 55 58 LEU HD1 H 0.604 0.020 1 617 55 58 LEU HD2 H 0.333 0.020 1 618 55 58 LEU C C 175.399 0.300 1 619 55 58 LEU CA C 52.952 0.300 1 620 55 58 LEU CB C 45.541 0.300 1 621 55 58 LEU CG C 26.688 0.300 1 622 55 58 LEU CD1 C 24.167 0.300 1 623 55 58 LEU CD2 C 26.999 0.300 1 624 55 58 LEU N N 128.339 0.300 1 625 56 59 THR H H 8.660 0.020 1 626 56 59 THR HA H 5.186 0.020 1 627 56 59 THR HB H 3.970 0.020 1 628 56 59 THR HG2 H 1.072 0.020 1 629 56 59 THR C C 174.120 0.300 1 630 56 59 THR CA C 61.967 0.300 1 631 56 59 THR CB C 67.924 0.300 1 632 56 59 THR CG2 C 21.034 0.300 1 633 56 59 THR N N 120.548 0.300 1 634 57 60 ILE H H 9.390 0.020 1 635 57 60 ILE HA H 4.569 0.020 1 636 57 60 ILE HB H 1.694 0.020 1 637 57 60 ILE HG12 H 1.482 0.020 1 638 57 60 ILE HG13 H 1.482 0.020 1 639 57 60 ILE HG2 H 0.780 0.020 1 640 57 60 ILE HD1 H 0.815 0.020 1 641 57 60 ILE C C 176.378 0.300 1 642 57 60 ILE CA C 59.691 0.300 1 643 57 60 ILE CB C 42.386 0.300 1 644 57 60 ILE CG1 C 27.059 0.300 1 645 57 60 ILE CG2 C 19.154 0.300 1 646 57 60 ILE CD1 C 15.758 0.300 1 647 57 60 ILE N N 129.551 0.300 1 648 58 61 GLY H H 8.411 0.020 1 649 58 61 GLY HA2 H 3.710 0.020 1 650 58 61 GLY HA3 H 4.077 0.020 1 651 58 61 GLY C C 176.335 0.300 1 652 58 61 GLY CA C 48.630 0.300 1 653 58 61 GLY N N 116.540 0.300 1 654 59 62 GLY H H 9.185 0.020 1 655 59 62 GLY HA2 H 4.142 0.020 1 656 59 62 GLY HA3 H 3.553 0.020 1 657 59 62 GLY C C 172.794 0.300 1 658 59 62 GLY CA C 45.506 0.300 1 659 59 62 GLY N N 106.593 0.300 1 660 60 63 GLU H H 7.914 0.020 1 661 60 63 GLU HA H 4.726 0.020 1 662 60 63 GLU HB2 H 1.937 0.020 1 663 60 63 GLU HB3 H 2.170 0.020 1 664 60 63 GLU HG2 H 2.153 0.020 1 665 60 63 GLU HG3 H 2.222 0.020 1 666 60 63 GLU C C 173.859 0.300 1 667 60 63 GLU CA C 54.230 0.300 1 668 60 63 GLU CB C 32.749 0.300 1 669 60 63 GLU CG C 36.184 0.300 1 670 60 63 GLU N N 123.138 0.300 1 671 61 64 VAL H H 8.629 0.020 1 672 61 64 VAL HA H 4.741 0.020 1 673 61 64 VAL HB H 1.886 0.020 1 674 61 64 VAL HG1 H 0.670 0.020 1 675 61 64 VAL HG2 H 0.966 0.020 1 676 61 64 VAL C C 176.094 0.300 1 677 61 64 VAL CA C 62.162 0.300 1 678 61 64 VAL CB C 32.232 0.300 1 679 61 64 VAL CG1 C 21.390 0.300 1 680 61 64 VAL CG2 C 21.346 0.300 1 681 61 64 VAL N N 125.325 0.300 1 682 62 65 ILE H H 9.557 0.020 1 683 62 65 ILE HA H 4.503 0.020 1 684 62 65 ILE HB H 1.961 0.020 1 685 62 65 ILE HG12 H 1.410 0.020 1 686 62 65 ILE HG13 H 1.588 0.020 1 687 62 65 ILE HG2 H 1.252 0.020 1 688 62 65 ILE HD1 H 0.934 0.020 1 689 62 65 ILE C C 174.434 0.300 1 690 62 65 ILE CA C 59.219 0.300 1 691 62 65 ILE CB C 40.273 0.300 1 692 62 65 ILE CG1 C 27.685 0.300 1 693 62 65 ILE CG2 C 18.064 0.300 1 694 62 65 ILE CD1 C 12.253 0.300 1 695 62 65 ILE N N 132.362 0.300 1 696 63 66 LYS H H 9.298 0.020 1 697 63 66 LYS HA H 5.230 0.020 1 698 63 66 LYS HB2 H 1.274 0.020 1 699 63 66 LYS HB3 H 2.026 0.020 1 700 63 66 LYS HG2 H 0.392 0.020 1 701 63 66 LYS HG3 H 1.088 0.020 1 702 63 66 LYS HD2 H 1.324 0.020 1 703 63 66 LYS HD3 H 1.487 0.020 1 704 63 66 LYS HE2 H 2.670 0.020 1 705 63 66 LYS HE3 H 2.430 0.020 1 706 63 66 LYS C C 174.193 0.300 1 707 63 66 LYS CA C 55.955 0.300 1 708 63 66 LYS CB C 33.986 0.300 1 709 63 66 LYS CG C 25.357 0.300 1 710 63 66 LYS CD C 30.048 0.300 1 711 63 66 LYS CE C 42.151 0.300 1 712 63 66 LYS N N 127.725 0.300 1 713 64 67 THR H H 8.812 0.020 1 714 64 67 THR HA H 5.097 0.020 1 715 64 67 THR HB H 4.044 0.020 1 716 64 67 THR HG2 H 1.318 0.020 1 717 64 67 THR C C 172.263 0.300 1 718 64 67 THR CA C 57.050 0.300 1 719 64 67 THR CB C 71.570 0.300 1 720 64 67 THR CG2 C 17.161 0.300 1 721 64 67 THR N N 120.337 0.300 1 722 65 68 THR H H 8.867 0.020 1 723 65 68 THR HA H 4.878 0.020 1 724 65 68 THR HB H 4.634 0.020 1 725 65 68 THR HG2 H 1.089 0.020 1 726 65 68 THR C C 175.875 0.300 1 727 65 68 THR CA C 60.055 0.300 1 728 65 68 THR CB C 71.484 0.300 1 729 65 68 THR CG2 C 22.259 0.300 1 730 65 68 THR N N 112.181 0.300 1 731 66 69 PHE H H 9.103 0.020 1 732 66 69 PHE HA H 3.765 0.020 1 733 66 69 PHE HB2 H 3.057 0.020 1 734 66 69 PHE HB3 H 3.058 0.020 1 735 66 69 PHE HD1 H 7.177 0.020 1 736 66 69 PHE HD2 H 7.177 0.020 1 737 66 69 PHE HE1 H 7.283 0.020 1 738 66 69 PHE HE2 H 7.283 0.020 1 739 66 69 PHE C C 175.924 0.300 1 740 66 69 PHE CA C 61.482 0.300 1 741 66 69 PHE CB C 39.909 0.300 1 742 66 69 PHE N N 118.484 0.300 1 743 67 70 ASP H H 7.593 0.020 1 744 67 70 ASP HA H 4.605 0.020 1 745 67 70 ASP HB2 H 2.578 0.020 1 746 67 70 ASP HB3 H 2.671 0.020 1 747 67 70 ASP C C 176.060 0.300 1 748 67 70 ASP CA C 53.011 0.300 1 749 67 70 ASP CB C 41.267 0.300 1 750 67 70 ASP N N 111.254 0.300 1 751 68 71 HIS H H 7.682 0.020 1 752 68 71 HIS HA H 3.910 0.020 1 753 68 71 HIS HB2 H 3.253 0.020 1 754 68 71 HIS HB3 H 3.066 0.020 1 755 68 71 HIS HD2 H 6.346 0.020 1 756 68 71 HIS C C 175.441 0.300 1 757 68 71 HIS CA C 58.602 0.300 1 758 68 71 HIS CB C 34.651 0.300 1 759 68 71 HIS CD2 C 116.657 0.300 1 760 68 71 HIS N N 124.309 0.300 1 761 69 72 PRO HA H 4.795 0.020 1 762 69 72 PRO HB2 H 1.559 0.020 1 763 69 72 PRO HB3 H 2.031 0.020 1 764 69 72 PRO HG2 H 1.703 0.020 1 765 69 72 PRO HG3 H 1.536 0.020 1 766 69 72 PRO HD2 H 3.313 0.020 1 767 69 72 PRO HD3 H 2.259 0.020 1 768 69 72 PRO C C 176.121 0.300 1 769 69 72 PRO CA C 61.674 0.300 1 770 69 72 PRO CB C 31.458 0.300 1 771 69 72 PRO CG C 28.091 0.300 1 772 69 72 PRO CD C 49.907 0.300 1 773 70 73 PHE H H 9.450 0.020 1 774 70 73 PHE HA H 5.040 0.020 1 775 70 73 PHE HB2 H 2.913 0.020 1 776 70 73 PHE HB3 H 3.219 0.020 1 777 70 73 PHE HD1 H 7.555 0.020 1 778 70 73 PHE HD2 H 7.555 0.020 1 779 70 73 PHE HE1 H 7.197 0.020 1 780 70 73 PHE HE2 H 7.197 0.020 1 781 70 73 PHE C C 175.352 0.300 1 782 70 73 PHE CA C 56.676 0.300 1 783 70 73 PHE CB C 43.186 0.300 1 784 70 73 PHE CD1 C 132.173 0.300 1 785 70 73 PHE CD2 C 132.173 0.300 1 786 70 73 PHE N N 127.990 0.300 1 787 71 74 TYR H H 7.992 0.020 1 788 71 74 TYR HA H 3.538 0.020 1 789 71 74 TYR HB2 H 2.306 0.020 1 790 71 74 TYR HB3 H 2.993 0.020 1 791 71 74 TYR HD1 H 5.845 0.020 1 792 71 74 TYR HD2 H 5.845 0.020 1 793 71 74 TYR HE1 H 6.524 0.020 1 794 71 74 TYR HE2 H 6.524 0.020 1 795 71 74 TYR C C 173.037 0.300 1 796 71 74 TYR CA C 60.368 0.300 1 797 71 74 TYR CB C 38.458 0.300 1 798 71 74 TYR CD1 C 132.168 0.300 1 799 71 74 TYR CD2 C 132.168 0.300 1 800 71 74 TYR CE1 C 117.932 0.300 1 801 71 74 TYR CE2 C 117.932 0.300 1 802 71 74 TYR N N 121.960 0.300 1 803 72 75 VAL H H 8.048 0.020 1 804 72 75 VAL HA H 4.605 0.020 1 805 72 75 VAL HB H 1.779 0.020 1 806 72 75 VAL HG1 H 0.895 0.020 1 807 72 75 VAL HG2 H 0.731 0.020 1 808 72 75 VAL C C 175.872 0.300 1 809 72 75 VAL CA C 60.577 0.300 1 810 72 75 VAL CB C 32.600 0.300 1 811 72 75 VAL CG1 C 20.742 0.300 1 812 72 75 VAL CG2 C 23.038 0.300 1 813 72 75 VAL N N 129.895 0.300 1 814 73 76 LYS H H 8.789 0.020 1 815 73 76 LYS HA H 3.761 0.020 1 816 73 76 LYS HB2 H 1.412 0.020 1 817 73 76 LYS HB3 H 1.680 0.020 1 818 73 76 LYS HG2 H 1.374 0.020 1 819 73 76 LYS HG3 H 1.374 0.020 1 820 73 76 LYS HD2 H 1.590 0.020 1 821 73 76 LYS HD3 H 1.590 0.020 1 822 73 76 LYS HE2 H 2.952 0.020 1 823 73 76 LYS HE3 H 2.952 0.020 1 824 73 76 LYS C C 175.658 0.300 1 825 73 76 LYS CA C 58.446 0.300 1 826 73 76 LYS CB C 33.164 0.300 1 827 73 76 LYS CG C 24.587 0.300 1 828 73 76 LYS CD C 29.836 0.300 1 829 73 76 LYS CE C 42.100 0.300 1 830 73 76 LYS N N 129.241 0.300 1 831 74 77 ASP H H 8.664 0.020 1 832 74 77 ASP HA H 4.241 0.020 1 833 74 77 ASP HB2 H 3.084 0.020 1 834 74 77 ASP HB3 H 2.883 0.020 1 835 74 77 ASP C C 174.563 0.300 1 836 74 77 ASP CA C 57.465 0.300 1 837 74 77 ASP CB C 39.562 0.300 1 838 74 77 ASP N N 119.358 0.300 1 839 75 78 VAL H H 8.167 0.020 1 840 75 78 VAL HA H 3.987 0.020 1 841 75 78 VAL HB H 1.557 0.020 1 842 75 78 VAL HG1 H 0.623 0.020 1 843 75 78 VAL HG2 H 0.791 0.020 1 844 75 78 VAL C C 175.786 0.300 1 845 75 78 VAL CA C 64.441 0.300 1 846 75 78 VAL CB C 34.605 0.300 1 847 75 78 VAL CG1 C 20.298 0.300 1 848 75 78 VAL CG2 C 21.570 0.300 1 849 75 78 VAL N N 121.221 0.300 1 850 76 79 GLY H H 8.112 0.020 1 851 76 79 GLY HA2 H 3.042 0.020 1 852 76 79 GLY HA3 H 4.443 0.020 1 853 76 79 GLY C C 172.474 0.300 1 854 76 79 GLY CA C 42.908 0.300 1 855 76 79 GLY N N 107.603 0.300 1 856 77 80 PHE H H 8.573 0.020 1 857 77 80 PHE HA H 4.706 0.020 1 858 77 80 PHE HB2 H 2.802 0.020 1 859 77 80 PHE HB3 H 2.675 0.020 1 860 77 80 PHE HD1 H 7.178 0.020 1 861 77 80 PHE HD2 H 7.178 0.020 1 862 77 80 PHE C C 176.399 0.300 1 863 77 80 PHE CA C 60.294 0.300 1 864 77 80 PHE CB C 39.575 0.300 1 865 77 80 PHE N N 117.575 0.300 1 866 78 81 VAL H H 9.441 0.020 1 867 78 81 VAL HA H 4.014 0.020 1 868 78 81 VAL HB H 1.823 0.020 1 869 78 81 VAL HG1 H 0.743 0.020 1 870 78 81 VAL HG2 H 0.917 0.020 1 871 78 81 VAL C C 174.833 0.300 1 872 78 81 VAL CA C 61.897 0.300 1 873 78 81 VAL CB C 36.111 0.300 1 874 78 81 VAL CG1 C 21.623 0.300 1 875 78 81 VAL CG2 C 21.111 0.300 1 876 78 81 VAL N N 127.472 0.300 1 877 79 82 GLU H H 8.961 0.020 1 878 79 82 GLU HA H 3.687 0.020 1 879 79 82 GLU HB2 H 2.202 0.020 1 880 79 82 GLU HB3 H 1.762 0.020 1 881 79 82 GLU HG2 H 2.415 0.020 1 882 79 82 GLU HG3 H 2.215 0.020 1 883 79 82 GLU C C 178.084 0.300 1 884 79 82 GLU CA C 58.625 0.300 1 885 79 82 GLU CB C 29.502 0.300 1 886 79 82 GLU CG C 37.143 0.300 1 887 79 82 GLU N N 126.727 0.300 1 888 80 83 ALA H H 9.111 0.020 1 889 80 83 ALA HA H 3.745 0.020 1 890 80 83 ALA HB H 1.586 0.020 1 891 80 83 ALA C C 179.404 0.300 1 892 80 83 ALA CA C 55.080 0.300 1 893 80 83 ALA CB C 19.536 0.300 1 894 80 83 ALA N N 126.544 0.300 1 895 81 84 GLY H H 8.940 0.020 1 896 81 84 GLY HA2 H 2.237 0.020 1 897 81 84 GLY HA3 H 3.141 0.020 1 898 81 84 GLY C C 175.368 0.300 1 899 81 84 GLY CA C 45.684 0.300 1 900 81 84 GLY N N 100.431 0.300 1 901 82 85 LYS H H 8.327 0.020 1 902 82 85 LYS HA H 4.228 0.020 1 903 82 85 LYS HB2 H 1.788 0.020 1 904 82 85 LYS HB3 H 1.938 0.020 1 905 82 85 LYS HG2 H 1.310 0.020 1 906 82 85 LYS HG3 H 1.310 0.020 1 907 82 85 LYS HD2 H 1.682 0.020 1 908 82 85 LYS HD3 H 1.682 0.020 1 909 82 85 LYS HE2 H 2.975 0.020 1 910 82 85 LYS HE3 H 2.975 0.020 1 911 82 85 LYS C C 177.213 0.300 1 912 82 85 LYS CA C 55.494 0.300 1 913 82 85 LYS CB C 32.936 0.300 1 914 82 85 LYS CG C 25.803 0.300 1 915 82 85 LYS CD C 29.244 0.300 1 916 82 85 LYS CE C 42.284 0.300 1 917 82 85 LYS N N 119.913 0.300 1 918 83 86 LEU H H 7.355 0.020 1 919 83 86 LEU HA H 4.188 0.020 1 920 83 86 LEU HB2 H 1.792 0.020 1 921 83 86 LEU HB3 H 1.121 0.020 1 922 83 86 LEU HG H 1.778 0.020 1 923 83 86 LEU HD1 H 0.720 0.020 1 924 83 86 LEU HD2 H 0.504 0.020 1 925 83 86 LEU C C 175.876 0.300 1 926 83 86 LEU CA C 55.397 0.300 1 927 83 86 LEU CB C 42.944 0.300 1 928 83 86 LEU CG C 26.588 0.300 1 929 83 86 LEU CD1 C 23.505 0.300 1 930 83 86 LEU CD2 C 26.597 0.300 1 931 83 86 LEU N N 122.117 0.300 1 932 84 87 GLN H H 9.242 0.020 1 933 84 87 GLN HA H 4.544 0.020 1 934 84 87 GLN HB2 H 1.988 0.020 1 935 84 87 GLN HB3 H 1.707 0.020 1 936 84 87 GLN HG2 H 2.382 0.020 1 937 84 87 GLN HG3 H 2.244 0.020 1 938 84 87 GLN HE21 H 6.761 0.020 1 939 84 87 GLN HE22 H 7.406 0.020 1 940 84 87 GLN C C 175.914 0.300 1 941 84 87 GLN CA C 52.682 0.300 1 942 84 87 GLN CB C 31.437 0.300 1 943 84 87 GLN CG C 33.480 0.300 1 944 84 87 GLN N N 120.055 0.300 1 945 84 87 GLN NE2 N 112.750 0.300 1 946 85 88 VAL H H 8.513 0.020 1 947 85 88 VAL HA H 3.298 0.020 1 948 85 88 VAL HB H 1.856 0.020 1 949 85 88 VAL HG1 H 0.894 0.020 1 950 85 88 VAL HG2 H 0.856 0.020 1 951 85 88 VAL C C 177.712 0.300 1 952 85 88 VAL CA C 65.539 0.300 1 953 85 88 VAL CB C 31.087 0.300 1 954 85 88 VAL CG1 C 21.000 0.300 1 955 85 88 VAL CG2 C 22.370 0.300 1 956 85 88 VAL N N 121.635 0.300 1 957 86 89 GLY H H 9.284 0.020 1 958 86 89 GLY HA2 H 3.426 0.020 1 959 86 89 GLY HA3 H 4.487 0.020 1 960 86 89 GLY C C 174.555 0.300 1 961 86 89 GLY CA C 44.652 0.300 1 962 86 89 GLY N N 117.281 0.300 1 963 87 90 ASP H H 8.272 0.020 1 964 87 90 ASP HA H 4.626 0.020 1 965 87 90 ASP HB2 H 2.361 0.020 1 966 87 90 ASP HB3 H 2.808 0.020 1 967 87 90 ASP C C 175.196 0.300 1 968 87 90 ASP CA C 55.989 0.300 1 969 87 90 ASP CB C 41.129 0.300 1 970 87 90 ASP N N 123.215 0.300 1 971 88 91 LYS H H 8.104 0.020 1 972 88 91 LYS HA H 4.676 0.020 1 973 88 91 LYS HB2 H 1.578 0.020 1 974 88 91 LYS HB3 H 1.917 0.020 1 975 88 91 LYS HG2 H 1.248 0.020 1 976 88 91 LYS HG3 H 1.687 0.020 1 977 88 91 LYS HD2 H 1.670 0.020 1 978 88 91 LYS HD3 H 1.670 0.020 1 979 88 91 LYS HE2 H 2.989 0.020 1 980 88 91 LYS HE3 H 2.989 0.020 1 981 88 91 LYS C C 173.591 0.300 1 982 88 91 LYS CA C 56.021 0.300 1 983 88 91 LYS CB C 34.093 0.300 1 984 88 91 LYS CG C 25.318 0.300 1 985 88 91 LYS CD C 29.727 0.300 1 986 88 91 LYS CE C 42.269 0.300 1 987 88 91 LYS N N 119.333 0.300 1 988 89 92 LEU H H 9.117 0.020 1 989 89 92 LEU HA H 5.293 0.020 1 990 89 92 LEU HB2 H 2.501 0.020 1 991 89 92 LEU HB3 H 1.453 0.020 1 992 89 92 LEU HG H 1.850 0.020 1 993 89 92 LEU HD1 H 0.907 0.020 1 994 89 92 LEU HD2 H 0.912 0.020 1 995 89 92 LEU C C 175.843 0.300 1 996 89 92 LEU CA C 53.001 0.300 1 997 89 92 LEU CB C 42.417 0.300 1 998 89 92 LEU CG C 28.120 0.300 1 999 89 92 LEU CD1 C 27.612 0.300 1 1000 89 92 LEU CD2 C 24.763 0.300 1 1001 89 92 LEU N N 126.865 0.300 1 1002 90 93 LEU H H 9.017 0.020 1 1003 90 93 LEU HA H 5.577 0.020 1 1004 90 93 LEU HB2 H 1.673 0.020 1 1005 90 93 LEU HB3 H 1.671 0.020 1 1006 90 93 LEU HG H 1.663 0.020 1 1007 90 93 LEU HD1 H 0.786 0.020 1 1008 90 93 LEU HD2 H 0.760 0.020 1 1009 90 93 LEU C C 176.493 0.300 1 1010 90 93 LEU CA C 53.530 0.300 1 1011 90 93 LEU CB C 48.694 0.300 1 1012 90 93 LEU CG C 27.533 0.300 1 1013 90 93 LEU CD1 C 26.554 0.300 1 1014 90 93 LEU CD2 C 24.855 0.300 1 1015 90 93 LEU N N 118.596 0.300 1 1016 91 94 ASP H H 8.206 0.020 1 1017 91 94 ASP HA H 5.688 0.020 1 1018 91 94 ASP HB2 H 2.661 0.020 1 1019 91 94 ASP HB3 H 3.483 0.020 1 1020 91 94 ASP C C 179.778 0.300 1 1021 91 94 ASP CA C 51.523 0.300 1 1022 91 94 ASP CB C 43.270 0.300 1 1023 91 94 ASP N N 118.536 0.300 1 1024 92 95 SER H H 7.111 0.020 1 1025 92 95 SER HA H 3.882 0.020 1 1026 92 95 SER HB2 H 3.235 0.020 1 1027 92 95 SER HB3 H 2.721 0.020 1 1028 92 95 SER C C 174.936 0.300 1 1029 92 95 SER CA C 60.974 0.300 1 1030 92 95 SER CB C 62.085 0.300 1 1031 92 95 SER N N 111.385 0.300 1 1032 93 96 ARG H H 8.271 0.020 1 1033 93 96 ARG HA H 4.449 0.020 1 1034 93 96 ARG HB2 H 1.623 0.020 1 1035 93 96 ARG HB3 H 2.044 0.020 1 1036 93 96 ARG HG2 H 1.498 0.020 1 1037 93 96 ARG HG3 H 1.565 0.020 1 1038 93 96 ARG HD2 H 3.021 0.020 1 1039 93 96 ARG HD3 H 3.176 0.020 1 1040 93 96 ARG HE H 7.188 0.020 1 1041 93 96 ARG C C 176.383 0.300 1 1042 93 96 ARG CA C 55.420 0.300 1 1043 93 96 ARG CB C 30.641 0.300 1 1044 93 96 ARG CG C 27.534 0.300 1 1045 93 96 ARG CD C 43.086 0.300 1 1046 93 96 ARG N N 122.505 0.300 1 1047 93 96 ARG NE N 84.540 0.300 1 1048 94 97 GLY H H 7.991 0.020 1 1049 94 97 GLY HA2 H 4.120 0.020 1 1050 94 97 GLY HA3 H 3.549 0.020 1 1051 94 97 GLY C C 174.278 0.300 1 1052 94 97 GLY CA C 45.801 0.300 1 1053 94 97 GLY N N 108.487 0.300 1 1054 95 98 ASN H H 8.928 0.020 1 1055 95 98 ASN HA H 4.675 0.020 1 1056 95 98 ASN HB2 H 2.919 0.020 1 1057 95 98 ASN HB3 H 2.613 0.020 1 1058 95 98 ASN HD21 H 6.985 0.020 1 1059 95 98 ASN HD22 H 8.738 0.020 1 1060 95 98 ASN C C 173.823 0.300 1 1061 95 98 ASN CA C 52.759 0.300 1 1062 95 98 ASN CB C 39.030 0.300 1 1063 95 98 ASN N N 120.477 0.300 1 1064 95 98 ASN ND2 N 118.711 0.300 1 1065 96 99 VAL H H 8.088 0.020 1 1066 96 99 VAL HA H 4.815 0.020 1 1067 96 99 VAL HB H 1.878 0.020 1 1068 96 99 VAL HG1 H 0.966 0.020 1 1069 96 99 VAL HG2 H 0.915 0.020 1 1070 96 99 VAL C C 176.489 0.300 1 1071 96 99 VAL CA C 62.039 0.300 1 1072 96 99 VAL CB C 32.955 0.300 1 1073 96 99 VAL CG1 C 21.808 0.300 1 1074 96 99 VAL N N 118.594 0.300 1 1075 97 100 LEU H H 8.637 0.020 1 1076 97 100 LEU HA H 4.676 0.020 1 1077 97 100 LEU HB2 H 1.338 0.020 1 1078 97 100 LEU HB3 H 1.282 0.020 1 1079 97 100 LEU HG H 1.536 0.020 1 1080 97 100 LEU HD1 H 0.889 0.020 1 1081 97 100 LEU HD2 H 0.880 0.020 1 1082 97 100 LEU C C 175.102 0.300 1 1083 97 100 LEU CA C 52.795 0.300 1 1084 97 100 LEU CB C 46.470 0.300 1 1085 97 100 LEU CG C 27.196 0.300 1 1086 97 100 LEU CD1 C 24.011 0.300 1 1087 97 100 LEU CD2 C 27.835 0.300 1 1088 97 100 LEU N N 130.341 0.300 1 1089 98 101 VAL H H 8.355 0.020 1 1090 98 101 VAL HA H 5.109 0.020 1 1091 98 101 VAL HB H 1.874 0.020 1 1092 98 101 VAL HG1 H 0.843 0.020 1 1093 98 101 VAL HG2 H 0.843 0.020 1 1094 98 101 VAL C C 176.790 0.300 1 1095 98 101 VAL CA C 60.637 0.300 1 1096 98 101 VAL CB C 34.604 0.300 1 1097 98 101 VAL CG1 C 21.533 0.300 1 1098 98 101 VAL CG2 C 21.604 0.300 1 1099 98 101 VAL N N 117.731 0.300 1 1100 99 102 VAL H H 8.368 0.020 1 1101 99 102 VAL HA H 3.918 0.020 1 1102 99 102 VAL HB H 2.316 0.020 1 1103 99 102 VAL HG1 H 0.647 0.020 1 1104 99 102 VAL HG2 H 0.985 0.020 1 1105 99 102 VAL C C 176.474 0.300 1 1106 99 102 VAL CA C 64.018 0.300 1 1107 99 102 VAL CB C 31.495 0.300 1 1108 99 102 VAL CG1 C 21.466 0.300 1 1109 99 102 VAL CG2 C 22.856 0.300 1 1110 99 102 VAL N N 123.456 0.300 1 1111 100 103 GLU H H 9.451 0.020 1 1112 100 103 GLU HA H 4.366 0.020 1 1113 100 103 GLU HB2 H 2.009 0.020 1 1114 100 103 GLU HB3 H 1.872 0.020 1 1115 100 103 GLU HG2 H 2.173 0.020 1 1116 100 103 GLU HG3 H 2.453 0.020 1 1117 100 103 GLU C C 176.254 0.300 1 1118 100 103 GLU CA C 57.350 0.300 1 1119 100 103 GLU CB C 31.425 0.300 1 1120 100 103 GLU CG C 36.310 0.300 1 1121 100 103 GLU N N 130.329 0.300 1 1122 101 104 GLU H H 7.643 0.020 1 1123 101 104 GLU HA H 4.398 0.020 1 1124 101 104 GLU HB2 H 2.051 0.020 1 1125 101 104 GLU HB3 H 1.896 0.020 1 1126 101 104 GLU HG2 H 2.214 0.020 1 1127 101 104 GLU HG3 H 2.214 0.020 1 1128 101 104 GLU C C 172.937 0.300 1 1129 101 104 GLU CA C 55.849 0.300 1 1130 101 104 GLU CB C 33.140 0.300 1 1131 101 104 GLU CG C 36.779 0.300 1 1132 101 104 GLU N N 116.505 0.300 1 1133 102 105 LYS H H 8.684 0.020 1 1134 102 105 LYS HA H 5.095 0.020 1 1135 102 105 LYS HB2 H 1.318 0.020 1 1136 102 105 LYS HB3 H 1.585 0.020 1 1137 102 105 LYS HG2 H 1.198 0.020 1 1138 102 105 LYS HG3 H 0.989 0.020 1 1139 102 105 LYS HD2 H 1.489 0.020 1 1140 102 105 LYS HD3 H 1.429 0.020 1 1141 102 105 LYS HE2 H 2.845 0.020 1 1142 102 105 LYS HE3 H 2.845 0.020 1 1143 102 105 LYS C C 174.280 0.300 1 1144 102 105 LYS CA C 55.581 0.300 1 1145 102 105 LYS CB C 35.816 0.300 1 1146 102 105 LYS CG C 24.636 0.300 1 1147 102 105 LYS CD C 29.522 0.300 1 1148 102 105 LYS CE C 42.092 0.300 1 1149 102 105 LYS N N 124.218 0.300 1 1150 103 106 LYS H H 8.774 0.020 1 1151 103 106 LYS HA H 4.613 0.020 1 1152 103 106 LYS HB2 H 1.735 0.020 1 1153 103 106 LYS HB3 H 1.647 0.020 1 1154 103 106 LYS HG2 H 1.210 0.020 1 1155 103 106 LYS HG3 H 1.210 0.020 1 1156 103 106 LYS HD2 H 1.508 0.020 1 1157 103 106 LYS HD3 H 1.508 0.020 1 1158 103 106 LYS HE2 H 2.712 0.020 1 1159 103 106 LYS HE3 H 2.661 0.020 1 1160 103 106 LYS C C 173.274 0.300 1 1161 103 106 LYS CA C 55.377 0.300 1 1162 103 106 LYS CB C 36.272 0.300 1 1163 103 106 LYS CG C 24.442 0.300 1 1164 103 106 LYS CD C 29.194 0.300 1 1165 103 106 LYS CE C 41.906 0.300 1 1166 103 106 LYS N N 124.775 0.300 1 1167 104 107 LEU H H 8.644 0.020 1 1168 104 107 LEU HA H 4.869 0.020 1 1169 104 107 LEU HB2 H 1.450 0.020 1 1170 104 107 LEU HB3 H 1.733 0.020 1 1171 104 107 LEU HG H 1.471 0.020 1 1172 104 107 LEU HD1 H 0.911 0.020 1 1173 104 107 LEU HD2 H 0.879 0.020 1 1174 104 107 LEU C C 175.578 0.300 1 1175 104 107 LEU CA C 54.730 0.300 1 1176 104 107 LEU CB C 43.823 0.300 1 1177 104 107 LEU CG C 27.713 0.300 1 1178 104 107 LEU CD1 C 24.069 0.300 1 1179 104 107 LEU CD2 C 25.524 0.300 1 1180 104 107 LEU N N 126.752 0.300 1 1181 105 108 GLU H H 9.328 0.020 1 1182 105 108 GLU HA H 4.485 0.020 1 1183 105 108 GLU HB2 H 1.945 0.020 1 1184 105 108 GLU HB3 H 1.442 0.020 1 1185 105 108 GLU HG2 H 1.841 0.020 1 1186 105 108 GLU HG3 H 1.946 0.020 1 1187 105 108 GLU C C 173.738 0.300 1 1188 105 108 GLU CA C 54.944 0.300 1 1189 105 108 GLU CB C 32.979 0.300 1 1190 105 108 GLU CG C 35.414 0.300 1 1191 105 108 GLU N N 128.879 0.300 1 1192 106 109 ILE H H 8.415 0.020 1 1193 106 109 ILE HA H 4.855 0.020 1 1194 106 109 ILE HB H 1.834 0.020 1 1195 106 109 ILE HG12 H 1.431 0.020 1 1196 106 109 ILE HG13 H 1.225 0.020 1 1197 106 109 ILE HG2 H 0.843 0.020 1 1198 106 109 ILE HD1 H 0.819 0.020 1 1199 106 109 ILE C C 176.418 0.300 1 1200 106 109 ILE CA C 59.134 0.300 1 1201 106 109 ILE CB C 37.081 0.300 1 1202 106 109 ILE CG1 C 27.176 0.300 1 1203 106 109 ILE CG2 C 17.359 0.300 1 1204 106 109 ILE CD1 C 11.848 0.300 1 1205 106 109 ILE N N 126.781 0.300 1 1206 107 110 ALA H H 9.257 0.020 1 1207 107 110 ALA HA H 4.498 0.020 1 1208 107 110 ALA HB H 1.438 0.020 1 1209 107 110 ALA C C 176.702 0.300 1 1210 107 110 ALA CA C 51.330 0.300 1 1211 107 110 ALA CB C 20.864 0.300 1 1212 107 110 ALA N N 133.041 0.300 1 1213 108 111 ASP H H 8.491 0.020 1 1214 108 111 ASP HA H 4.347 0.020 1 1215 108 111 ASP HB2 H 2.680 0.020 1 1216 108 111 ASP HB3 H 2.680 0.020 1 1217 108 111 ASP C C 175.629 0.300 1 1218 108 111 ASP CA C 55.634 0.300 1 1219 108 111 ASP CB C 41.191 0.300 1 1220 108 111 ASP N N 118.346 0.300 1 1221 109 112 LYS H H 7.447 0.020 1 1222 109 112 LYS HA H 4.697 0.020 1 1223 109 112 LYS HB2 H 1.612 0.020 1 1224 109 112 LYS HB3 H 1.783 0.020 1 1225 109 112 LYS HG2 H 1.374 0.020 1 1226 109 112 LYS HG3 H 1.374 0.020 1 1227 109 112 LYS HD2 H 1.662 0.020 1 1228 109 112 LYS HD3 H 1.662 0.020 1 1229 109 112 LYS HE2 H 2.974 0.020 1 1230 109 112 LYS HE3 H 2.974 0.020 1 1231 109 112 LYS C C 172.838 0.300 1 1232 109 112 LYS CA C 52.775 0.300 1 1233 109 112 LYS CB C 33.686 0.300 1 1234 109 112 LYS CG C 24.122 0.300 1 1235 109 112 LYS CD C 29.035 0.300 1 1236 109 112 LYS N N 117.102 0.300 1 1237 110 113 PRO HA H 3.992 0.020 1 1238 110 113 PRO HB2 H 1.972 0.020 1 1239 110 113 PRO HB3 H 1.638 0.020 1 1240 110 113 PRO HG2 H 1.988 0.020 1 1241 110 113 PRO HG3 H 1.792 0.020 1 1242 110 113 PRO HD2 H 3.512 0.020 1 1243 110 113 PRO HD3 H 3.718 0.020 1 1244 110 113 PRO C C 175.870 0.300 1 1245 110 113 PRO CA C 63.336 0.300 1 1246 110 113 PRO CB C 32.440 0.300 1 1247 110 113 PRO CG C 27.628 0.300 1 1248 110 113 PRO CD C 50.257 0.300 1 1249 111 114 VAL H H 8.775 0.020 1 1250 111 114 VAL HA H 4.277 0.020 1 1251 111 114 VAL HB H 2.033 0.020 1 1252 111 114 VAL HG1 H 0.944 0.020 1 1253 111 114 VAL HG2 H 0.998 0.020 1 1254 111 114 VAL C C 175.464 0.300 1 1255 111 114 VAL CA C 60.249 0.300 1 1256 111 114 VAL CB C 34.863 0.300 1 1257 111 114 VAL CG1 C 20.692 0.300 1 1258 111 114 VAL CG2 C 21.382 0.300 1 1259 111 114 VAL N N 123.077 0.300 1 1260 112 115 LYS H H 8.362 0.020 1 1261 112 115 LYS HA H 4.647 0.020 1 1262 112 115 LYS HB2 H 1.428 0.020 1 1263 112 115 LYS HB3 H 1.805 0.020 1 1264 112 115 LYS HG2 H 1.320 0.020 1 1265 112 115 LYS HG3 H 1.546 0.020 1 1266 112 115 LYS HD2 H 1.659 0.020 1 1267 112 115 LYS HD3 H 1.659 0.020 1 1268 112 115 LYS HE2 H 2.954 0.020 1 1269 112 115 LYS HE3 H 2.954 0.020 1 1270 112 115 LYS C C 175.491 0.300 1 1271 112 115 LYS CA C 56.500 0.300 1 1272 112 115 LYS CB C 33.092 0.300 1 1273 112 115 LYS CG C 25.713 0.300 1 1274 112 115 LYS CD C 29.264 0.300 1 1275 112 115 LYS CE C 42.198 0.300 1 1276 112 115 LYS N N 124.048 0.300 1 1277 113 116 VAL H H 8.546 0.020 1 1278 113 116 VAL HA H 4.916 0.020 1 1279 113 116 VAL HB H 1.890 0.020 1 1280 113 116 VAL HG1 H 0.592 0.020 1 1281 113 116 VAL HG2 H 0.333 0.020 1 1282 113 116 VAL C C 174.144 0.300 1 1283 113 116 VAL CA C 58.958 0.300 1 1284 113 116 VAL CB C 34.527 0.300 1 1285 113 116 VAL CG1 C 22.814 0.300 1 1286 113 116 VAL CG2 C 19.056 0.300 1 1287 113 116 VAL N N 114.548 0.300 1 1288 114 117 TYR H H 9.576 0.020 1 1289 114 117 TYR HA H 5.099 0.020 1 1290 114 117 TYR HB2 H 2.810 0.020 1 1291 114 117 TYR HB3 H 3.112 0.020 1 1292 114 117 TYR HD1 H 7.473 0.020 1 1293 114 117 TYR HD2 H 7.473 0.020 1 1294 114 117 TYR HE1 H 6.751 0.020 1 1295 114 117 TYR HE2 H 6.751 0.020 1 1296 114 117 TYR C C 174.050 0.300 1 1297 114 117 TYR CA C 58.686 0.300 1 1298 114 117 TYR CB C 43.140 0.300 1 1299 114 117 TYR CD1 C 133.919 0.300 1 1300 114 117 TYR CD2 C 133.919 0.300 1 1301 114 117 TYR CE1 C 118.151 0.300 1 1302 114 117 TYR CE2 C 118.151 0.300 1 1303 114 117 TYR N N 120.650 0.300 1 1304 115 118 ASN H H 8.621 0.020 1 1305 115 118 ASN HA H 5.127 0.020 1 1306 115 118 ASN HB2 H 3.468 0.020 1 1307 115 118 ASN HB3 H 2.550 0.020 1 1308 115 118 ASN HD21 H 7.711 0.020 1 1309 115 118 ASN HD22 H 7.549 0.020 1 1310 115 118 ASN C C 172.686 0.300 1 1311 115 118 ASN CA C 51.672 0.300 1 1312 115 118 ASN CB C 43.041 0.300 1 1313 115 118 ASN N N 115.689 0.300 1 1314 115 118 ASN ND2 N 115.013 0.300 1 1315 116 119 PHE H H 8.343 0.020 1 1316 116 119 PHE HA H 4.907 0.020 1 1317 116 119 PHE HB2 H 3.171 0.020 1 1318 116 119 PHE HB3 H 3.057 0.020 1 1319 116 119 PHE HD1 H 6.553 0.020 1 1320 116 119 PHE HD2 H 6.553 0.020 1 1321 116 119 PHE HE1 H 6.506 0.020 1 1322 116 119 PHE HE2 H 6.506 0.020 1 1323 116 119 PHE C C 171.267 0.300 1 1324 116 119 PHE CA C 57.050 0.300 1 1325 116 119 PHE CB C 39.764 0.300 1 1326 116 119 PHE CD1 C 130.979 0.300 1 1327 116 119 PHE CD2 C 130.979 0.300 1 1328 116 119 PHE CE1 C 129.812 0.300 1 1329 116 119 PHE CE2 C 129.812 0.300 1 1330 116 119 PHE N N 116.651 0.300 1 1331 117 120 LYS H H 8.189 0.020 1 1332 117 120 LYS HA H 4.571 0.020 1 1333 117 120 LYS HB2 H 1.746 0.020 1 1334 117 120 LYS HB3 H 1.943 0.020 1 1335 117 120 LYS HG2 H 1.263 0.020 1 1336 117 120 LYS HG3 H 1.519 0.020 1 1337 117 120 LYS HD2 H 1.680 0.020 1 1338 117 120 LYS HD3 H 1.680 0.020 1 1339 117 120 LYS HE2 H 2.934 0.020 1 1340 117 120 LYS HE3 H 2.934 0.020 1 1341 117 120 LYS C C 175.435 0.300 1 1342 117 120 LYS CA C 54.605 0.300 1 1343 117 120 LYS CB C 36.435 0.300 1 1344 117 120 LYS CG C 25.548 0.300 1 1345 117 120 LYS CD C 29.445 0.300 1 1346 117 120 LYS CE C 41.974 0.300 1 1347 117 120 LYS N N 117.031 0.300 1 1348 118 121 VAL H H 8.928 0.020 1 1349 118 121 VAL HA H 4.289 0.020 1 1350 118 121 VAL HB H 1.738 0.020 1 1351 118 121 VAL HG1 H 1.100 0.020 1 1352 118 121 VAL HG2 H 1.215 0.020 1 1353 118 121 VAL C C 175.545 0.300 1 1354 118 121 VAL CA C 62.558 0.300 1 1355 118 121 VAL CB C 35.232 0.300 1 1356 118 121 VAL CG1 C 21.283 0.300 1 1357 118 121 VAL CG2 C 24.591 0.300 1 1358 118 121 VAL N N 127.818 0.300 1 1359 119 122 ASP H H 8.779 0.020 1 1360 119 122 ASP HA H 4.187 0.020 1 1361 119 122 ASP HB2 H 2.713 0.020 1 1362 119 122 ASP HB3 H 2.636 0.020 1 1363 119 122 ASP C C 177.623 0.300 1 1364 119 122 ASP CA C 55.798 0.300 1 1365 119 122 ASP CB C 42.445 0.300 1 1366 119 122 ASP N N 126.667 0.300 1 1367 120 123 ASP H H 8.161 0.020 1 1368 120 123 ASP HA H 4.026 0.020 1 1369 120 123 ASP HB2 H 2.750 0.020 1 1370 120 123 ASP HB3 H 2.467 0.020 1 1371 120 123 ASP C C 175.161 0.300 1 1372 120 123 ASP CA C 58.954 0.300 1 1373 120 123 ASP CB C 41.432 0.300 1 1374 120 123 ASP N N 117.834 0.300 1 1375 121 124 PHE H H 9.105 0.020 1 1376 121 124 PHE HA H 4.582 0.020 1 1377 121 124 PHE HB2 H 2.696 0.020 1 1378 121 124 PHE HB3 H 3.334 0.020 1 1379 121 124 PHE HD1 H 6.835 0.020 1 1380 121 124 PHE HD2 H 6.835 0.020 1 1381 121 124 PHE HE1 H 7.296 0.020 1 1382 121 124 PHE HE2 H 7.296 0.020 1 1383 121 124 PHE C C 176.827 0.300 1 1384 121 124 PHE CA C 55.153 0.300 1 1385 121 124 PHE CB C 38.360 0.300 1 1386 121 124 PHE CD1 C 130.036 0.300 1 1387 121 124 PHE CD2 C 130.036 0.300 1 1388 121 124 PHE N N 121.090 0.300 1 1389 122 125 HIS H H 6.526 0.020 1 1390 122 125 HIS HA H 4.679 0.020 1 1391 122 125 HIS HB2 H 3.216 0.020 1 1392 122 125 HIS HB3 H 2.924 0.020 1 1393 122 125 HIS HD2 H 7.347 0.020 1 1394 122 125 HIS C C 171.924 0.300 1 1395 122 125 HIS CA C 56.724 0.300 1 1396 122 125 HIS CB C 26.906 0.300 1 1397 122 125 HIS CD2 C 121.304 0.300 1 1398 122 125 HIS N N 104.956 0.300 1 1399 123 126 THR H H 6.816 0.020 1 1400 123 126 THR HA H 4.722 0.020 1 1401 123 126 THR HB H 4.525 0.020 1 1402 123 126 THR HG2 H 1.161 0.020 1 1403 123 126 THR C C 170.416 0.300 1 1404 123 126 THR CA C 58.287 0.300 1 1405 123 126 THR CB C 72.977 0.300 1 1406 123 126 THR CG2 C 21.306 0.300 1 1407 123 126 THR N N 105.391 0.300 1 1408 124 127 TYR H H 7.883 0.020 1 1409 124 127 TYR HA H 4.944 0.020 1 1410 124 127 TYR HB2 H 3.670 0.020 1 1411 124 127 TYR HB3 H 3.498 0.020 1 1412 124 127 TYR HD1 H 6.378 0.020 1 1413 124 127 TYR HD2 H 6.378 0.020 1 1414 124 127 TYR HE1 H 5.987 0.020 1 1415 124 127 TYR HE2 H 5.987 0.020 1 1416 124 127 TYR C C 172.262 0.300 1 1417 124 127 TYR CA C 57.325 0.300 1 1418 124 127 TYR CB C 37.275 0.300 1 1419 124 127 TYR CD1 C 133.967 0.300 1 1420 124 127 TYR CD2 C 133.967 0.300 1 1421 124 127 TYR CE1 C 117.265 0.300 1 1422 124 127 TYR CE2 C 117.265 0.300 1 1423 124 127 TYR N N 107.272 0.300 1 1424 125 128 HIS H H 9.794 0.020 1 1425 125 128 HIS HA H 5.550 0.020 1 1426 125 128 HIS HB2 H 2.221 0.020 1 1427 125 128 HIS HB3 H 3.128 0.020 1 1428 125 128 HIS HD2 H 6.973 0.020 1 1429 125 128 HIS C C 175.989 0.300 1 1430 125 128 HIS CA C 55.188 0.300 1 1431 125 128 HIS CB C 31.636 0.300 1 1432 125 128 HIS N N 117.411 0.300 1 1433 126 129 VAL H H 8.962 0.020 1 1434 126 129 VAL HA H 5.458 0.020 1 1435 126 129 VAL HB H 1.481 0.020 1 1436 126 129 VAL HG1 H 0.262 0.020 1 1437 126 129 VAL HG2 H 0.611 0.020 1 1438 126 129 VAL C C 177.162 0.300 1 1439 126 129 VAL CA C 59.225 0.300 1 1440 126 129 VAL CB C 36.164 0.300 1 1441 126 129 VAL CG1 C 21.732 0.300 1 1442 126 129 VAL CG2 C 19.269 0.300 1 1443 126 129 VAL N N 115.940 0.300 1 1444 127 130 GLY H H 9.091 0.020 1 1445 127 130 GLY HA2 H 4.467 0.020 1 1446 127 130 GLY HA3 H 4.226 0.020 1 1447 127 130 GLY C C 175.870 0.300 1 1448 127 130 GLY CA C 43.854 0.300 1 1449 127 130 GLY N N 107.586 0.300 1 1450 128 131 ASP H H 11.263 0.020 1 1451 128 131 ASP HA H 4.452 0.020 1 1452 128 131 ASP HB2 H 2.483 0.020 1 1453 128 131 ASP HB3 H 2.483 0.020 1 1454 128 131 ASP C C 180.059 0.300 1 1455 128 131 ASP CA C 57.643 0.300 1 1456 128 131 ASP CB C 40.420 0.300 1 1457 128 131 ASP N N 124.938 0.300 1 1458 129 132 ASN H H 9.452 0.020 1 1459 129 132 ASN HA H 4.560 0.020 1 1460 129 132 ASN HB2 H 2.831 0.020 1 1461 129 132 ASN HB3 H 2.831 0.020 1 1462 129 132 ASN HD21 H 6.831 0.020 1 1463 129 132 ASN HD22 H 7.405 0.020 1 1464 129 132 ASN C C 174.298 0.300 1 1465 129 132 ASN CA C 53.530 0.300 1 1466 129 132 ASN CB C 38.925 0.300 1 1467 129 132 ASN N N 114.992 0.300 1 1468 129 132 ASN ND2 N 114.583 0.300 1 1469 130 133 GLU H H 7.706 0.020 1 1470 130 133 GLU HA H 4.201 0.020 1 1471 130 133 GLU HB2 H 1.626 0.020 1 1472 130 133 GLU HB3 H 2.407 0.020 1 1473 130 133 GLU HG2 H 2.365 0.020 1 1474 130 133 GLU HG3 H 2.251 0.020 1 1475 130 133 GLU C C 177.257 0.300 1 1476 130 133 GLU CA C 55.778 0.300 1 1477 130 133 GLU CB C 26.436 0.300 1 1478 130 133 GLU CG C 34.472 0.300 1 1479 130 133 GLU N N 117.296 0.300 1 1480 131 134 VAL H H 9.471 0.020 1 1481 131 134 VAL HA H 4.244 0.020 1 1482 131 134 VAL HB H 2.146 0.020 1 1483 131 134 VAL HG1 H 1.239 0.020 1 1484 131 134 VAL HG2 H 1.033 0.020 1 1485 131 134 VAL C C 177.046 0.300 1 1486 131 134 VAL CA C 63.495 0.300 1 1487 131 134 VAL CB C 33.119 0.300 1 1488 131 134 VAL CG1 C 23.390 0.300 1 1489 131 134 VAL CG2 C 22.704 0.300 1 1490 131 134 VAL N N 123.912 0.300 1 1491 132 135 LEU H H 8.853 0.020 1 1492 132 135 LEU HA H 3.896 0.020 1 1493 132 135 LEU HB2 H 1.203 0.020 1 1494 132 135 LEU HB3 H 2.308 0.020 1 1495 132 135 LEU HG H 1.399 0.020 1 1496 132 135 LEU HD1 H 0.761 0.020 1 1497 132 135 LEU HD2 H 0.550 0.020 1 1498 132 135 LEU C C 175.650 0.300 1 1499 132 135 LEU CA C 56.677 0.300 1 1500 132 135 LEU CB C 41.772 0.300 1 1501 132 135 LEU CG C 28.033 0.300 1 1502 132 135 LEU CD1 C 23.662 0.300 1 1503 132 135 LEU CD2 C 26.061 0.300 1 1504 132 135 LEU N N 126.850 0.300 1 1505 133 136 VAL H H 8.763 0.020 1 1506 133 136 VAL HA H 4.951 0.020 1 1507 133 136 VAL HB H 2.038 0.020 1 1508 133 136 VAL HG1 H 0.040 0.020 1 1509 133 136 VAL HG2 H -0.193 0.020 1 1510 133 136 VAL C C 173.057 0.300 1 1511 133 136 VAL CA C 58.907 0.300 1 1512 133 136 VAL CB C 35.123 0.300 1 1513 133 136 VAL CG1 C 20.766 0.300 1 1514 133 136 VAL CG2 C 17.872 0.300 1 1515 133 136 VAL N N 121.634 0.300 1 1516 134 137 HIS H H 7.887 0.020 1 1517 134 137 HIS HA H 4.482 0.020 1 1518 134 137 HIS HB2 H 2.150 0.020 1 1519 134 137 HIS HB3 H 1.533 0.020 1 1520 134 137 HIS HD2 H 6.162 0.020 1 1521 134 137 HIS C C 173.091 0.300 1 1522 134 137 HIS CA C 53.773 0.300 1 1523 134 137 HIS CB C 29.600 0.300 1 1524 134 137 HIS CD2 C 121.186 0.300 1 1525 134 137 HIS N N 117.861 0.300 1 1526 135 138 ASN H H 8.223 0.020 1 1527 135 138 ASN HA H 4.624 0.020 1 1528 135 138 ASN HB2 H 2.269 0.020 1 1529 135 138 ASN HB3 H 2.269 0.020 1 1530 135 138 ASN C C 181.290 0.300 1 1531 135 138 ASN CA C 55.399 0.300 1 1532 135 138 ASN CB C 41.158 0.300 1 1533 135 138 ASN N N 124.587 0.300 1 stop_ save_