data_34013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of BOLA1 from Homo sapiens ; _BMRB_accession_number 34013 _BMRB_flat_file_name bmr34013.str _Entry_type original _Submission_date 2016-06-21 _Accession_date 2016-06-21 _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 Nasta V. . . 2 'Ciofi Baffoni' S. . . 3 Banci L. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 640 "13C chemical shifts" 465 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-21 update BMRB 'update entry citation' 2016-08-26 original author 'original release' stop_ _Original_release_date 2016-08-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27532772 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Uzarska M. A. . 2 Nasta V. . . 3 Weiler B. D. . 4 Spantgar F. . . 5 Ciofi-Baffoni S. . . 6 Saviello M. R. . 7 Gonnelli L. . . 8 'M hlenhoff' U. . . 9 Banci L. . . 10 Lill R. . . stop_ _Journal_abbreviation Elife _Journal_volume 5 _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e16673 _Page_last e16673 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BolA-like protein 1' _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 'BolA-like protein 1' _Molecular_mass 12875.399 _Mol_thiol_state . _Details ; GIDPFT sequence at the N-terminus is added by cloning. The mitochondrial-targeting sequence (MLSGRLVLGLVSMAGRVCLC) has been removed. ; ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GIDPFTQGSAGSGAIGPVEA AIRTKLEEALSPEVLELRNE SGGHAVPPGSETHFRVAVVS SRFEGLSPLQRHRLVHAALA EELGGPVHALAIQARTPAQW RENSQLDTSPPCLGGNKKTL GTP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 15 GLY 2 16 ILE 3 17 ASP 4 18 PRO 5 19 PHE 6 20 THR 7 21 GLN 8 22 GLY 9 23 SER 10 24 ALA 11 25 GLY 12 26 SER 13 27 GLY 14 28 ALA 15 29 ILE 16 30 GLY 17 31 PRO 18 32 VAL 19 33 GLU 20 34 ALA 21 35 ALA 22 36 ILE 23 37 ARG 24 38 THR 25 39 LYS 26 40 LEU 27 41 GLU 28 42 GLU 29 43 ALA 30 44 LEU 31 45 SER 32 46 PRO 33 47 GLU 34 48 VAL 35 49 LEU 36 50 GLU 37 51 LEU 38 52 ARG 39 53 ASN 40 54 GLU 41 55 SER 42 56 GLY 43 57 GLY 44 58 HIS 45 59 ALA 46 60 VAL 47 61 PRO 48 62 PRO 49 63 GLY 50 64 SER 51 65 GLU 52 66 THR 53 67 HIS 54 68 PHE 55 69 ARG 56 70 VAL 57 71 ALA 58 72 VAL 59 73 VAL 60 74 SER 61 75 SER 62 76 ARG 63 77 PHE 64 78 GLU 65 79 GLY 66 80 LEU 67 81 SER 68 82 PRO 69 83 LEU 70 84 GLN 71 85 ARG 72 86 HIS 73 87 ARG 74 88 LEU 75 89 VAL 76 90 HIS 77 91 ALA 78 92 ALA 79 93 LEU 80 94 ALA 81 95 GLU 82 96 GLU 83 97 LEU 84 98 GLY 85 99 GLY 86 100 PRO 87 101 VAL 88 102 HIS 89 103 ALA 90 104 LEU 91 105 ALA 92 106 ILE 93 107 GLN 94 108 ALA 95 109 ARG 96 110 THR 97 111 PRO 98 112 ALA 99 113 GLN 100 114 TRP 101 115 ARG 102 116 GLU 103 117 ASN 104 118 SER 105 119 GLN 106 120 LEU 107 121 ASP 108 122 THR 109 123 SER 110 124 PRO 111 125 PRO 112 126 CYS 113 127 LEU 114 128 GLY 115 129 GLY 116 130 ASN 117 131 LYS 118 132 LYS 119 133 THR 120 134 LEU 121 135 GLY 122 136 THR 123 137 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'BOLA1, CGI-143' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) GOLD pET151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 5 mM 'natural abundance' $entity_1 1 mM '[U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 5 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_6 _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Serrano, Pedrini, Mohanty, Geralt, Herrmann and Wuthrich,' . . stop_ loop_ _Task 'peak picking' 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HBHA(CBCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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_3 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CBCACO)NH' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _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 16 2 ILE HA H 4.057 0.020 1 2 16 2 ILE HB H 1.675 0.020 1 3 16 2 ILE HG12 H 1.306 0.020 2 4 16 2 ILE HG13 H 1.040 0.020 2 5 16 2 ILE HG2 H 0.748 0.020 1 6 16 2 ILE HD1 H 0.730 0.020 1 7 16 2 ILE C C 174.726 0.300 1 8 16 2 ILE CA C 59.836 0.300 1 9 16 2 ILE CB C 37.905 0.300 1 10 16 2 ILE CG1 C 25.858 0.300 1 11 16 2 ILE CG2 C 16.071 0.300 1 12 16 2 ILE CD1 C 11.706 0.300 1 13 17 3 ASP H H 8.400 0.020 1 14 17 3 ASP HA H 4.774 0.020 1 15 17 3 ASP HB2 H 2.669 0.020 2 16 17 3 ASP HB3 H 2.471 0.020 2 17 17 3 ASP C C 173.934 0.300 1 18 17 3 ASP CA C 50.978 0.300 1 19 17 3 ASP CB C 40.278 0.300 1 20 17 3 ASP N N 126.240 0.300 1 21 18 4 PRO HA H 4.196 0.020 1 22 18 4 PRO HB2 H 1.508 0.020 2 23 18 4 PRO HB3 H 2.018 0.020 2 24 18 4 PRO HG2 H 1.804 0.020 2 25 18 4 PRO HG3 H 1.634 0.020 2 26 18 4 PRO HD2 H 3.774 0.020 2 27 18 4 PRO HD3 H 3.666 0.020 2 28 18 4 PRO C C 176.142 0.300 1 29 18 4 PRO CA C 62.616 0.300 1 30 18 4 PRO CB C 30.783 0.300 1 31 18 4 PRO CG C 25.475 0.300 1 32 18 4 PRO CD C 49.848 0.300 1 33 19 5 PHE H H 8.208 0.020 1 34 19 5 PHE HA H 4.483 0.020 1 35 19 5 PHE HB2 H 3.084 0.020 2 36 19 5 PHE HB3 H 3.022 0.020 2 37 19 5 PHE HD1 H 7.160 0.020 1 38 19 5 PHE HD2 H 7.160 0.020 1 39 19 5 PHE C C 175.435 0.300 1 40 19 5 PHE CA C 57.284 0.300 1 41 19 5 PHE CB C 37.760 0.300 1 42 19 5 PHE N N 118.391 0.300 1 43 20 6 THR H H 7.750 0.020 1 44 20 6 THR HA H 4.193 0.020 1 45 20 6 THR HB H 4.113 0.020 1 46 20 6 THR HG2 H 1.098 0.020 1 47 20 6 THR C C 173.551 0.300 1 48 20 6 THR CA C 61.056 0.300 1 49 20 6 THR CB C 68.842 0.300 1 50 20 6 THR CG2 C 20.490 0.300 1 51 20 6 THR N N 114.115 0.300 1 52 21 7 GLN H H 8.164 0.020 1 53 21 7 GLN HA H 4.208 0.020 1 54 21 7 GLN HB2 H 1.934 0.020 1 55 21 7 GLN HB3 H 1.934 0.020 1 56 21 7 GLN HG2 H 2.258 0.020 2 57 21 7 GLN HG3 H 2.084 0.020 2 58 21 7 GLN HE21 H 7.225 0.020 1 59 21 7 GLN HE22 H 6.906 0.020 1 60 21 7 GLN C C 175.444 0.300 1 61 21 7 GLN CA C 55.171 0.300 1 62 21 7 GLN CB C 28.307 0.300 1 63 21 7 GLN CG C 32.329 0.300 1 64 21 7 GLN N N 122.223 0.300 1 65 21 7 GLN NE2 N 110.517 0.300 1 66 22 8 GLY H H 8.323 0.020 1 67 22 8 GLY HA2 H 3.872 0.020 2 68 22 8 GLY HA3 H 3.835 0.020 2 69 22 8 GLY C C 173.200 0.300 1 70 22 8 GLY CA C 44.198 0.300 1 71 22 8 GLY N N 109.739 0.300 1 72 23 9 SER H H 8.163 0.020 1 73 23 9 SER HA H 4.361 0.020 1 74 23 9 SER HB2 H 3.764 0.020 2 75 23 9 SER HB3 H 3.674 0.020 2 76 23 9 SER C C 173.602 0.300 1 77 23 9 SER CA C 57.280 0.300 1 78 23 9 SER CB C 62.845 0.300 1 79 23 9 SER N N 115.460 0.300 1 80 24 10 ALA H H 8.361 0.020 1 81 24 10 ALA HA H 4.229 0.020 1 82 24 10 ALA HB H 1.283 0.020 1 83 24 10 ALA C C 177.285 0.300 1 84 24 10 ALA CA C 51.814 0.300 1 85 24 10 ALA CB C 17.928 0.300 1 86 24 10 ALA N N 125.644 0.300 1 87 25 11 GLY H H 8.273 0.020 1 88 25 11 GLY HA2 H 3.868 0.020 1 89 25 11 GLY HA3 H 3.868 0.020 1 90 25 11 GLY C C 173.430 0.300 1 91 25 11 GLY CA C 44.217 0.300 1 92 25 11 GLY N N 107.826 0.300 1 93 26 12 SER H H 8.211 0.020 1 94 26 12 SER HA H 4.349 0.020 1 95 26 12 SER HB2 H 3.841 0.020 2 96 26 12 SER HB3 H 3.800 0.020 2 97 26 12 SER C C 174.147 0.300 1 98 26 12 SER CA C 57.633 0.300 1 99 26 12 SER CB C 62.845 0.300 1 100 26 12 SER N N 115.460 0.300 1 101 27 13 GLY H H 8.414 0.020 1 102 27 13 GLY HA2 H 3.884 0.020 2 103 27 13 GLY HA3 H 3.832 0.020 2 104 27 13 GLY C C 172.603 0.300 1 105 27 13 GLY CA C 44.194 0.300 1 106 27 13 GLY N N 110.804 0.300 1 107 28 14 ALA H H 8.011 0.020 1 108 28 14 ALA HA H 4.269 0.020 1 109 28 14 ALA HB H 1.223 0.020 1 110 28 14 ALA C C 176.295 0.300 1 111 28 14 ALA CA C 51.227 0.300 1 112 28 14 ALA CB C 18.371 0.300 1 113 28 14 ALA N N 123.552 0.300 1 114 29 15 ILE H H 8.023 0.020 1 115 29 15 ILE HA H 4.078 0.020 1 116 29 15 ILE HB H 1.685 0.020 1 117 29 15 ILE HG12 H 1.120 0.020 2 118 29 15 ILE HG13 H 1.417 0.020 2 119 29 15 ILE HG2 H 0.863 0.020 1 120 29 15 ILE HD1 H 0.725 0.020 1 121 29 15 ILE C C 175.432 0.300 1 122 29 15 ILE CA C 60.032 0.300 1 123 29 15 ILE CB C 38.049 0.300 1 124 29 15 ILE CG1 C 25.514 0.300 1 125 29 15 ILE CG2 C 16.077 0.300 1 126 29 15 ILE CD1 C 11.702 0.300 1 127 29 15 ILE N N 120.372 0.300 1 128 30 16 GLY H H 8.237 0.020 1 129 30 16 GLY HA2 H 3.845 0.020 1 130 30 16 GLY HA3 H 3.845 0.020 1 131 30 16 GLY C C 170.367 0.300 1 132 30 16 GLY CA C 44.199 0.300 1 133 30 16 GLY N N 114.980 0.300 1 134 31 17 PRO HA H 4.241 0.020 1 135 31 17 PRO HB2 H 2.194 0.020 2 136 31 17 PRO HB3 H 1.829 0.020 2 137 31 17 PRO HG2 H 1.906 0.020 2 138 31 17 PRO HG3 H 1.830 0.020 2 139 31 17 PRO HD2 H 3.686 0.020 2 140 31 17 PRO HD3 H 3.561 0.020 2 141 31 17 PRO C C 179.833 0.300 1 142 31 17 PRO CA C 63.567 0.300 1 143 31 17 PRO CB C 30.720 0.300 1 144 31 17 PRO CG C 26.081 0.300 1 145 31 17 PRO CD C 48.535 0.300 1 146 32 18 VAL H H 10.135 0.020 1 147 32 18 VAL HA H 3.576 0.020 1 148 32 18 VAL HB H 1.868 0.020 1 149 32 18 VAL HG1 H 0.925 0.020 1 150 32 18 VAL HG2 H 0.654 0.020 1 151 32 18 VAL C C 176.373 0.300 1 152 32 18 VAL CA C 65.416 0.300 1 153 32 18 VAL CB C 29.707 0.300 1 154 32 18 VAL CG1 C 21.716 0.300 1 155 32 18 VAL CG2 C 19.840 0.300 1 156 32 18 VAL N N 126.023 0.300 1 157 33 19 GLU H H 9.082 0.020 1 158 33 19 GLU HA H 3.011 0.020 1 159 33 19 GLU HB2 H 2.211 0.020 2 160 33 19 GLU HB3 H 2.009 0.020 2 161 33 19 GLU HG2 H 2.277 0.020 2 162 33 19 GLU HG3 H 2.036 0.020 2 163 33 19 GLU C C 177.086 0.300 1 164 33 19 GLU CA C 59.002 0.300 1 165 33 19 GLU CB C 28.143 0.300 1 166 33 19 GLU CG C 35.485 0.300 1 167 33 19 GLU N N 123.469 0.300 1 168 34 20 ALA H H 8.234 0.020 1 169 34 20 ALA HA H 3.804 0.020 1 170 34 20 ALA HB H 1.249 0.020 1 171 34 20 ALA C C 179.077 0.300 1 172 34 20 ALA CA C 54.093 0.300 1 173 34 20 ALA CB C 17.029 0.300 1 174 34 20 ALA N N 118.414 0.300 1 175 35 21 ALA H H 7.473 0.020 1 176 35 21 ALA HA H 3.980 0.020 1 177 35 21 ALA HB H 1.340 0.020 1 178 35 21 ALA C C 178.502 0.300 1 179 35 21 ALA CA C 54.091 0.300 1 180 35 21 ALA CB C 17.117 0.300 1 181 35 21 ALA N N 121.991 0.300 1 182 36 22 ILE H H 8.331 0.020 1 183 36 22 ILE HA H 3.192 0.020 1 184 36 22 ILE HB H 1.418 0.020 1 185 36 22 ILE HG12 H 1.533 0.020 2 186 36 22 ILE HG13 H 0.429 0.020 2 187 36 22 ILE HG2 H 0.428 0.020 1 188 36 22 ILE HD1 H -0.335 0.020 1 189 36 22 ILE C C 176.731 0.300 1 190 36 22 ILE CA C 64.220 0.300 1 191 36 22 ILE CB C 36.271 0.300 1 192 36 22 ILE CG1 C 26.732 0.300 1 193 36 22 ILE CG2 C 16.099 0.300 1 194 36 22 ILE CD1 C 11.718 0.300 1 195 36 22 ILE N N 117.133 0.300 1 196 37 23 ARG H H 8.001 0.020 1 197 37 23 ARG HA H 3.472 0.020 1 198 37 23 ARG HB2 H 1.679 0.020 1 199 37 23 ARG HB3 H 1.679 0.020 1 200 37 23 ARG HG2 H 1.416 0.020 2 201 37 23 ARG HG3 H 1.308 0.020 2 202 37 23 ARG HD2 H 3.187 0.020 2 203 37 23 ARG HD3 H 2.998 0.020 2 204 37 23 ARG C C 176.737 0.300 1 205 37 23 ARG CA C 59.835 0.300 1 206 37 23 ARG CB C 28.373 0.300 1 207 37 23 ARG CG C 26.138 0.300 1 208 37 23 ARG CD C 41.703 0.300 1 209 37 23 ARG N N 117.741 0.300 1 210 38 24 THR H H 7.939 0.020 1 211 38 24 THR HA H 3.746 0.020 1 212 38 24 THR HB H 4.009 0.020 1 213 38 24 THR HG2 H 1.107 0.020 1 214 38 24 THR C C 175.906 0.300 1 215 38 24 THR CA C 65.596 0.300 1 216 38 24 THR CB C 68.035 0.300 1 217 38 24 THR CG2 C 20.464 0.300 1 218 38 24 THR N N 114.140 0.300 1 219 39 25 LYS H H 8.371 0.020 1 220 39 25 LYS HA H 3.917 0.020 1 221 39 25 LYS HB2 H 1.531 0.020 1 222 39 25 LYS HB3 H 1.531 0.020 1 223 39 25 LYS HG2 H 1.284 0.020 2 224 39 25 LYS HG3 H 1.273 0.020 2 225 39 25 LYS HD2 H 1.459 0.020 1 226 39 25 LYS HD3 H 1.459 0.020 1 227 39 25 LYS HE2 H 2.910 0.020 2 228 39 25 LYS HE3 H 2.748 0.020 2 229 39 25 LYS C C 180.050 0.300 1 230 39 25 LYS CA C 58.868 0.300 1 231 39 25 LYS CB C 32.020 0.300 1 232 39 25 LYS CG C 26.096 0.300 1 233 39 25 LYS CD C 27.972 0.300 1 234 39 25 LYS CE C 41.093 0.300 1 235 39 25 LYS N N 120.099 0.300 1 236 40 26 LEU H H 8.385 0.020 1 237 40 26 LEU HA H 3.958 0.020 1 238 40 26 LEU HB2 H 1.933 0.020 2 239 40 26 LEU HB3 H 0.950 0.020 2 240 40 26 LEU HG H 2.003 0.020 1 241 40 26 LEU HD1 H 0.671 0.020 1 242 40 26 LEU HD2 H 0.602 0.020 1 243 40 26 LEU C C 178.264 0.300 1 244 40 26 LEU CA C 56.674 0.300 1 245 40 26 LEU CB C 40.290 0.300 1 246 40 26 LEU CG C 25.390 0.300 1 247 40 26 LEU CD1 C 21.055 0.300 1 248 40 26 LEU CD2 C 26.007 0.300 1 249 40 26 LEU N N 117.945 0.300 1 250 41 27 GLU H H 8.393 0.020 1 251 41 27 GLU HA H 3.610 0.020 1 252 41 27 GLU HB2 H 2.083 0.020 2 253 41 27 GLU HB3 H 1.872 0.020 2 254 41 27 GLU HG2 H 2.267 0.020 2 255 41 27 GLU HG3 H 2.024 0.020 2 256 41 27 GLU C C 178.614 0.300 1 257 41 27 GLU CA C 58.750 0.300 1 258 41 27 GLU CB C 27.968 0.300 1 259 41 27 GLU CG C 35.464 0.300 1 260 41 27 GLU N N 120.995 0.300 1 261 42 28 GLU H H 7.822 0.020 1 262 42 28 GLU HA H 3.883 0.020 1 263 42 28 GLU HB2 H 1.956 0.020 2 264 42 28 GLU HB3 H 1.892 0.020 2 265 42 28 GLU HG2 H 2.304 0.020 2 266 42 28 GLU HG3 H 2.148 0.020 2 267 42 28 GLU C C 177.441 0.300 1 268 42 28 GLU CA C 57.904 0.300 1 269 42 28 GLU CB C 28.608 0.300 1 270 42 28 GLU CG C 34.867 0.300 1 271 42 28 GLU N N 117.476 0.300 1 272 43 29 ALA H H 7.833 0.020 1 273 43 29 ALA HA H 4.149 0.020 1 274 43 29 ALA HB H 1.313 0.020 1 275 43 29 ALA C C 178.857 0.300 1 276 43 29 ALA CA C 53.390 0.300 1 277 43 29 ALA CB C 18.731 0.300 1 278 43 29 ALA N N 116.856 0.300 1 279 44 30 LEU H H 7.858 0.020 1 280 44 30 LEU HA H 4.306 0.020 1 281 44 30 LEU HB2 H 1.586 0.020 2 282 44 30 LEU HB3 H 0.965 0.020 2 283 44 30 LEU HG H 1.410 0.020 1 284 44 30 LEU HD1 H 0.743 0.020 1 285 44 30 LEU HD2 H 0.487 0.020 1 286 44 30 LEU C C 175.119 0.300 1 287 44 30 LEU CA C 52.723 0.300 1 288 44 30 LEU CB C 42.702 0.300 1 289 44 30 LEU CG C 26.658 0.300 1 290 44 30 LEU CD1 C 26.661 0.300 1 291 44 30 LEU CD2 C 21.703 0.300 1 292 44 30 LEU N N 111.370 0.300 1 293 45 31 SER H H 7.707 0.020 1 294 45 31 SER HA H 4.171 0.020 1 295 45 31 SER HB2 H 3.826 0.020 2 296 45 31 SER HB3 H 3.659 0.020 2 297 45 31 SER CA C 56.912 0.300 1 298 45 31 SER CB C 61.651 0.300 1 299 45 31 SER N N 114.206 0.300 1 300 46 32 PRO HA H 4.169 0.020 1 301 46 32 PRO HB2 H 2.240 0.020 2 302 46 32 PRO HB3 H 1.811 0.020 2 303 46 32 PRO HG2 H 1.913 0.020 1 304 46 32 PRO HG3 H 1.913 0.020 1 305 46 32 PRO HD2 H 3.776 0.020 2 306 46 32 PRO HD3 H 3.661 0.020 2 307 46 32 PRO C C 176.000 0.300 1 308 46 32 PRO CA C 61.821 0.300 1 309 46 32 PRO CB C 32.042 0.300 1 310 46 32 PRO CG C 25.965 0.300 1 311 46 32 PRO CD C 49.829 0.300 1 312 47 33 GLU H H 8.227 0.020 1 313 47 33 GLU HA H 4.033 0.020 1 314 47 33 GLU HB2 H 1.769 0.020 2 315 47 33 GLU HB3 H 1.524 0.020 2 316 47 33 GLU HG2 H 2.159 0.020 2 317 47 33 GLU HG3 H 2.140 0.020 2 318 47 33 GLU C C 175.673 0.300 1 319 47 33 GLU CA C 57.093 0.300 1 320 47 33 GLU CB C 29.578 0.300 1 321 47 33 GLU CG C 35.472 0.300 1 322 47 33 GLU N N 121.230 0.300 1 323 48 34 VAL H H 6.860 0.020 1 324 48 34 VAL HA H 3.842 0.020 1 325 48 34 VAL HB H 0.914 0.020 1 326 48 34 VAL HG1 H 0.464 0.020 1 327 48 34 VAL HG2 H 0.182 0.020 1 328 48 34 VAL C C 172.596 0.300 1 329 48 34 VAL CA C 60.453 0.300 1 330 48 34 VAL CB C 34.761 0.300 1 331 48 34 VAL CG1 C 19.246 0.300 1 332 48 34 VAL CG2 C 18.700 0.300 1 333 48 34 VAL N N 115.049 0.300 1 334 49 35 LEU H H 8.698 0.020 1 335 49 35 LEU HA H 4.790 0.020 1 336 49 35 LEU HB2 H 1.719 0.020 2 337 49 35 LEU HB3 H 0.995 0.020 2 338 49 35 LEU HG H 1.418 0.020 1 339 49 35 LEU HD1 H 0.783 0.020 1 340 49 35 LEU HD2 H 0.687 0.020 1 341 49 35 LEU C C 172.945 0.300 1 342 49 35 LEU CA C 53.512 0.300 1 343 49 35 LEU CB C 42.548 0.300 1 344 49 35 LEU CG C 25.189 0.300 1 345 49 35 LEU CD1 C 26.051 0.300 1 346 49 35 LEU CD2 C 23.931 0.300 1 347 49 35 LEU N N 128.551 0.300 1 348 50 36 GLU H H 9.050 0.020 1 349 50 36 GLU HA H 4.619 0.020 1 350 50 36 GLU HB2 H 1.872 0.020 2 351 50 36 GLU HB3 H 1.808 0.020 2 352 50 36 GLU HG2 H 2.098 0.020 2 353 50 36 GLU HG3 H 1.995 0.020 2 354 50 36 GLU C C 173.306 0.300 1 355 50 36 GLU CA C 53.702 0.300 1 356 50 36 GLU CB C 30.797 0.300 1 357 50 36 GLU CG C 34.213 0.300 1 358 50 36 GLU N N 127.498 0.300 1 359 51 37 LEU H H 8.719 0.020 1 360 51 37 LEU HA H 5.190 0.020 1 361 51 37 LEU HB2 H 1.464 0.020 2 362 51 37 LEU HB3 H 1.344 0.020 2 363 51 37 LEU HG H 1.414 0.020 1 364 51 37 LEU HD1 H 0.664 0.020 1 365 51 37 LEU HD2 H 0.672 0.020 1 366 51 37 LEU C C 174.494 0.300 1 367 51 37 LEU CA C 52.591 0.300 1 368 51 37 LEU CB C 44.625 0.300 1 369 51 37 LEU CG C 25.811 0.300 1 370 51 37 LEU CD1 C 26.181 0.300 1 371 51 37 LEU CD2 C 24.223 0.300 1 372 51 37 LEU N N 126.748 0.300 1 373 52 38 ARG H H 8.933 0.020 1 374 52 38 ARG HA H 4.699 0.020 1 375 52 38 ARG HB2 H 1.683 0.020 2 376 52 38 ARG HB3 H 1.654 0.020 2 377 52 38 ARG HG2 H 1.525 0.020 1 378 52 38 ARG HG3 H 1.525 0.020 1 379 52 38 ARG HD2 H 3.162 0.020 2 380 52 38 ARG HD3 H 3.080 0.020 2 381 52 38 ARG C C 173.668 0.300 1 382 52 38 ARG CA C 53.505 0.300 1 383 52 38 ARG CB C 32.712 0.300 1 384 52 38 ARG CG C 25.699 0.300 1 385 52 38 ARG CD C 42.283 0.300 1 386 52 38 ARG N N 122.217 0.300 1 387 53 39 ASN H H 9.374 0.020 1 388 53 39 ASN HA H 4.118 0.020 1 389 53 39 ASN HB2 H 3.173 0.020 2 390 53 39 ASN HB3 H 2.555 0.020 2 391 53 39 ASN HD21 H 7.444 0.020 1 392 53 39 ASN HD22 H 8.173 0.020 1 393 53 39 ASN C C 175.204 0.300 1 394 53 39 ASN CA C 51.909 0.300 1 395 53 39 ASN CB C 36.522 0.300 1 396 53 39 ASN N N 124.501 0.300 1 397 53 39 ASN ND2 N 111.903 0.300 1 398 54 40 GLU H H 8.678 0.020 1 399 54 40 GLU HA H 4.522 0.020 1 400 54 40 GLU HB2 H 2.133 0.020 1 401 54 40 GLU HB3 H 2.133 0.020 1 402 54 40 GLU HG2 H 2.032 0.020 2 403 54 40 GLU HG3 H 1.883 0.020 2 404 54 40 GLU C C 176.074 0.300 1 405 54 40 GLU CA C 54.254 0.300 1 406 54 40 GLU CB C 28.582 0.300 1 407 54 40 GLU CG C 35.478 0.300 1 408 54 40 GLU N N 127.890 0.300 1 409 55 41 SER H H 8.502 0.020 1 410 55 41 SER HA H 3.971 0.020 1 411 55 41 SER HB2 H 3.632 0.020 1 412 55 41 SER HB3 H 3.632 0.020 1 413 55 41 SER C C 173.664 0.300 1 414 55 41 SER CA C 61.090 0.300 1 415 55 41 SER CB C 62.028 0.300 1 416 55 41 SER N N 118.067 0.300 1 417 56 42 GLY H H 8.590 0.020 1 418 56 42 GLY HA2 H 3.663 0.020 1 419 56 42 GLY HA3 H 3.663 0.020 1 420 56 42 GLY C C 173.686 0.300 1 421 56 42 GLY CA C 44.980 0.300 1 422 56 42 GLY N N 106.234 0.300 1 423 57 43 GLY H H 7.713 0.020 1 424 57 43 GLY HA2 H 3.957 0.020 2 425 57 43 GLY HA3 H 3.517 0.020 2 426 57 43 GLY C C 172.606 0.300 1 427 57 43 GLY CA C 43.611 0.300 1 428 57 43 GLY N N 107.120 0.300 1 429 58 44 HIS H H 7.744 0.020 1 430 58 44 HIS HA H 4.409 0.020 1 431 58 44 HIS HB2 H 2.800 0.020 2 432 58 44 HIS HB3 H 2.498 0.020 2 433 58 44 HIS HD2 H 6.640 0.020 1 434 58 44 HIS HE1 H 7.770 0.020 1 435 58 44 HIS C C 173.448 0.300 1 436 58 44 HIS CA C 54.679 0.300 1 437 58 44 HIS CB C 30.513 0.300 1 438 58 44 HIS N N 118.651 0.300 1 439 58 44 HIS ND1 N 205.549 0.300 1 440 58 44 HIS NE2 N 177.860 0.300 1 441 59 45 ALA H H 8.537 0.020 1 442 59 45 ALA HA H 4.336 0.020 1 443 59 45 ALA HB H 1.225 0.020 1 444 59 45 ALA C C 175.322 0.300 1 445 59 45 ALA CA C 50.991 0.300 1 446 59 45 ALA CB C 15.432 0.300 1 447 59 45 ALA N N 125.186 0.300 1 448 60 46 VAL H H 7.735 0.020 1 449 60 46 VAL HA H 4.641 0.020 1 450 60 46 VAL HB H 2.182 0.020 1 451 60 46 VAL HG1 H 0.886 0.020 1 452 60 46 VAL HG2 H 0.714 0.020 1 453 60 46 VAL C C 173.310 0.300 1 454 60 46 VAL CA C 57.666 0.300 1 455 60 46 VAL CB C 31.348 0.300 1 456 60 46 VAL CG1 C 20.477 0.300 1 457 60 46 VAL CG2 C 17.346 0.300 1 458 60 46 VAL N N 115.770 0.300 1 459 62 48 PRO HA H 4.322 0.020 1 460 62 48 PRO HB2 H 2.238 0.020 2 461 62 48 PRO HB3 H 1.722 0.020 2 462 62 48 PRO HG2 H 1.810 0.020 1 463 62 48 PRO HG3 H 1.810 0.020 1 464 62 48 PRO HD2 H 3.535 0.020 1 465 62 48 PRO HD3 H 3.535 0.020 1 466 62 48 PRO C C 176.386 0.300 1 467 62 48 PRO CA C 62.813 0.300 1 468 62 48 PRO CB C 30.503 0.300 1 469 62 48 PRO CG C 26.125 0.300 1 470 62 48 PRO CD C 49.964 0.300 1 471 63 49 GLY H H 8.673 0.020 1 472 63 49 GLY HA2 H 4.046 0.020 2 473 63 49 GLY HA3 H 3.675 0.020 2 474 63 49 GLY C C 174.131 0.300 1 475 63 49 GLY CA C 44.279 0.300 1 476 63 49 GLY N N 111.675 0.300 1 477 64 50 SER H H 7.656 0.020 1 478 64 50 SER HA H 4.238 0.020 1 479 64 50 SER HB2 H 3.881 0.020 2 480 64 50 SER HB3 H 3.764 0.020 2 481 64 50 SER C C 172.134 0.300 1 482 64 50 SER CA C 59.868 0.300 1 483 64 50 SER CB C 63.952 0.300 1 484 64 50 SER N N 115.703 0.300 1 485 65 51 GLU H H 8.983 0.020 1 486 65 51 GLU HA H 4.152 0.020 1 487 65 51 GLU HB2 H 2.177 0.020 2 488 65 51 GLU HB3 H 2.025 0.020 2 489 65 51 GLU HG2 H 2.149 0.020 1 490 65 51 GLU HG3 H 2.149 0.020 1 491 65 51 GLU C C 171.660 0.300 1 492 65 51 GLU CA C 54.581 0.300 1 493 65 51 GLU CB C 30.254 0.300 1 494 65 51 GLU CG C 34.869 0.300 1 495 65 51 GLU N N 125.121 0.300 1 496 66 52 THR H H 7.702 0.020 1 497 66 52 THR HA H 4.500 0.020 1 498 66 52 THR HB H 3.250 0.020 1 499 66 52 THR HG2 H 0.849 0.020 1 500 66 52 THR C C 175.091 0.300 1 501 66 52 THR CA C 61.256 0.300 1 502 66 52 THR CB C 68.314 0.300 1 503 66 52 THR CG2 C 22.608 0.300 1 504 66 52 THR N N 106.975 0.300 1 505 67 53 HIS H H 7.678 0.020 1 506 67 53 HIS HA H 5.147 0.020 1 507 67 53 HIS HB2 H 2.052 0.020 2 508 67 53 HIS HB3 H 2.615 0.020 2 509 67 53 HIS HD2 H 6.292 0.020 1 510 67 53 HIS HE1 H 7.236 0.020 1 511 67 53 HIS C C 173.076 0.300 1 512 67 53 HIS CA C 55.492 0.300 1 513 67 53 HIS CB C 31.593 0.300 1 514 67 53 HIS N N 121.942 0.300 1 515 67 53 HIS ND1 N 217.336 0.300 1 516 67 53 HIS NE2 N 175.652 0.300 1 517 68 54 PHE H H 8.093 0.020 1 518 68 54 PHE HA H 5.357 0.020 1 519 68 54 PHE HB2 H 2.562 0.020 2 520 68 54 PHE HB3 H 2.372 0.020 2 521 68 54 PHE HD1 H 6.710 0.020 1 522 68 54 PHE HD2 H 6.710 0.020 1 523 68 54 PHE HE1 H 7.050 0.020 1 524 68 54 PHE HE2 H 7.050 0.020 1 525 68 54 PHE C C 174.024 0.300 1 526 68 54 PHE CA C 55.481 0.300 1 527 68 54 PHE CB C 44.183 0.300 1 528 68 54 PHE N N 117.310 0.300 1 529 69 55 ARG H H 9.149 0.020 1 530 69 55 ARG HA H 5.079 0.020 1 531 69 55 ARG HB2 H 1.617 0.020 1 532 69 55 ARG HB3 H 1.617 0.020 1 533 69 55 ARG HG2 H 1.309 0.020 1 534 69 55 ARG HG3 H 1.309 0.020 1 535 69 55 ARG HD2 H 3.122 0.020 2 536 69 55 ARG HD3 H 2.874 0.020 2 537 69 55 ARG C C 173.430 0.300 1 538 69 55 ARG CA C 53.900 0.300 1 539 69 55 ARG CB C 31.816 0.300 1 540 69 55 ARG CG C 26.098 0.300 1 541 69 55 ARG CD C 41.717 0.300 1 542 69 55 ARG N N 123.132 0.300 1 543 70 56 VAL H H 9.131 0.020 1 544 70 56 VAL HA H 4.980 0.020 1 545 70 56 VAL HB H 1.683 0.020 1 546 70 56 VAL HG1 H 0.621 0.020 1 547 70 56 VAL HG2 H 0.627 0.020 1 548 70 56 VAL C C 171.420 0.300 1 549 70 56 VAL CA C 58.075 0.300 1 550 70 56 VAL CB C 34.604 0.300 1 551 70 56 VAL CG1 C 20.461 0.300 1 552 70 56 VAL CG2 C 19.222 0.300 1 553 70 56 VAL N N 124.694 0.300 1 554 71 57 ALA H H 8.968 0.020 1 555 71 57 ALA HA H 5.290 0.020 1 556 71 57 ALA HB H 1.200 0.020 1 557 71 57 ALA C C 174.318 0.300 1 558 71 57 ALA CA C 49.540 0.300 1 559 71 57 ALA CB C 18.959 0.300 1 560 71 57 ALA N N 131.532 0.300 1 561 72 58 VAL H H 8.722 0.020 1 562 72 58 VAL HA H 4.802 0.020 1 563 72 58 VAL HB H 1.815 0.020 1 564 72 58 VAL HG1 H 0.841 0.020 1 565 72 58 VAL HG2 H 0.910 0.020 1 566 72 58 VAL C C 171.774 0.300 1 567 72 58 VAL CA C 57.503 0.300 1 568 72 58 VAL CB C 33.692 0.300 1 569 72 58 VAL CG1 C 20.475 0.300 1 570 72 58 VAL CG2 C 17.967 0.300 1 571 72 58 VAL N N 119.833 0.300 1 572 73 59 VAL H H 8.270 0.020 1 573 73 59 VAL HA H 5.232 0.020 1 574 73 59 VAL HB H 1.344 0.020 1 575 73 59 VAL HG1 H 0.447 0.020 1 576 73 59 VAL HG2 H -0.102 0.020 1 577 73 59 VAL C C 175.080 0.300 1 578 73 59 VAL CA C 58.359 0.300 1 579 73 59 VAL CB C 31.887 0.300 1 580 73 59 VAL CG1 C 19.189 0.300 1 581 73 59 VAL CG2 C 17.965 0.300 1 582 73 59 VAL N N 128.896 0.300 1 583 74 60 SER H H 8.037 0.020 1 584 74 60 SER HA H 5.054 0.020 1 585 74 60 SER HB2 H 2.997 0.020 2 586 74 60 SER HB3 H 2.061 0.020 2 587 74 60 SER C C 175.041 0.300 1 588 74 60 SER CA C 54.874 0.300 1 589 74 60 SER CB C 63.109 0.300 1 590 74 60 SER N N 116.427 0.300 1 591 75 61 SER H H 9.723 0.020 1 592 75 61 SER HA H 4.546 0.020 1 593 75 61 SER HB2 H 3.939 0.020 2 594 75 61 SER HB3 H 3.856 0.020 2 595 75 61 SER CA C 60.248 0.300 1 596 75 61 SER CB C 61.623 0.300 1 597 75 61 SER N N 128.555 0.300 1 598 76 62 ARG H H 8.243 0.020 1 599 76 62 ARG HA H 4.009 0.020 1 600 76 62 ARG HB2 H 1.482 0.020 2 601 76 62 ARG HB3 H 1.186 0.020 2 602 76 62 ARG HG2 H 1.437 0.020 1 603 76 62 ARG HG3 H 1.437 0.020 1 604 76 62 ARG HD2 H 3.025 0.020 1 605 76 62 ARG HD3 H 3.025 0.020 1 606 76 62 ARG C C 175.497 0.300 1 607 76 62 ARG CA C 55.962 0.300 1 608 76 62 ARG CB C 27.764 0.300 1 609 76 62 ARG CG C 25.774 0.300 1 610 76 62 ARG CD C 41.107 0.300 1 611 76 62 ARG N N 121.216 0.300 1 612 77 63 PHE H H 6.903 0.020 1 613 77 63 PHE HA H 4.608 0.020 1 614 77 63 PHE HB2 H 3.055 0.020 2 615 77 63 PHE HB3 H 2.927 0.020 2 616 77 63 PHE HD1 H 7.152 0.020 1 617 77 63 PHE HD2 H 7.152 0.020 1 618 77 63 PHE HE1 H 7.280 0.020 1 619 77 63 PHE HE2 H 7.280 0.020 1 620 77 63 PHE HZ H 6.737 0.020 1 621 77 63 PHE C C 174.604 0.300 1 622 77 63 PHE CA C 53.305 0.300 1 623 77 63 PHE CB C 36.565 0.300 1 624 77 63 PHE N N 111.783 0.300 1 625 78 64 GLU H H 7.364 0.020 1 626 78 64 GLU HA H 3.858 0.020 1 627 78 64 GLU HB2 H 2.059 0.020 2 628 78 64 GLU HB3 H 1.960 0.020 2 629 78 64 GLU HG2 H 2.230 0.020 1 630 78 64 GLU HG3 H 2.230 0.020 1 631 78 64 GLU C C 176.136 0.300 1 632 78 64 GLU CA C 57.290 0.300 1 633 78 64 GLU CB C 28.038 0.300 1 634 78 64 GLU CG C 34.850 0.300 1 635 78 64 GLU N N 120.646 0.300 1 636 79 65 GLY H H 8.940 0.020 1 637 79 65 GLY HA2 H 4.114 0.020 2 638 79 65 GLY HA3 H 3.614 0.020 2 639 79 65 GLY C C 172.765 0.300 1 640 79 65 GLY CA C 44.406 0.300 1 641 79 65 GLY N N 114.223 0.300 1 642 80 66 LEU H H 7.821 0.020 1 643 80 66 LEU HA H 4.688 0.020 1 644 80 66 LEU HB2 H 1.730 0.020 2 645 80 66 LEU HB3 H 1.373 0.020 2 646 80 66 LEU HG H 1.533 0.020 1 647 80 66 LEU HD1 H 0.841 0.020 1 648 80 66 LEU HD2 H 0.736 0.020 1 649 80 66 LEU C C 177.334 0.300 1 650 80 66 LEU CA C 52.507 0.300 1 651 80 66 LEU CB C 42.139 0.300 1 652 80 66 LEU CG C 26.414 0.300 1 653 80 66 LEU CD1 C 24.782 0.300 1 654 80 66 LEU CD2 C 21.735 0.300 1 655 80 66 LEU N N 119.935 0.300 1 656 81 67 SER H H 9.220 0.020 1 657 81 67 SER HA H 4.568 0.020 1 658 81 67 SER HB2 H 3.773 0.020 2 659 81 67 SER HB3 H 3.674 0.020 2 660 81 67 SER C C 171.879 0.300 1 661 81 67 SER CA C 55.672 0.300 1 662 81 67 SER CB C 61.421 0.300 1 663 81 67 SER N N 122.783 0.300 1 664 83 69 LEU HA H 3.778 0.020 1 665 83 69 LEU HB2 H 1.496 0.020 2 666 83 69 LEU HB3 H 1.402 0.020 2 667 83 69 LEU C C 178.680 0.300 1 668 83 69 LEU CA C 57.248 0.300 1 669 83 69 LEU CB C 40.924 0.300 1 670 84 70 GLN H H 7.502 0.020 1 671 84 70 GLN HA H 3.746 0.020 1 672 84 70 GLN HB2 H 2.323 0.020 1 673 84 70 GLN HB3 H 2.323 0.020 1 674 84 70 GLN HG2 H 2.360 0.020 1 675 84 70 GLN HG3 H 2.360 0.020 1 676 84 70 GLN HE21 H 7.510 0.020 1 677 84 70 GLN HE22 H 6.870 0.020 1 678 84 70 GLN C C 178.742 0.300 1 679 84 70 GLN CA C 57.851 0.300 1 680 84 70 GLN CB C 28.325 0.300 1 681 84 70 GLN CG C 33.919 0.300 1 682 84 70 GLN N N 117.533 0.300 1 683 84 70 GLN NE2 N 111.997 0.300 1 684 85 71 ARG H H 8.387 0.020 1 685 85 71 ARG HA H 3.637 0.020 1 686 85 71 ARG HB2 H 1.665 0.020 1 687 85 71 ARG HB3 H 1.665 0.020 1 688 85 71 ARG HG2 H 1.622 0.020 1 689 85 71 ARG HG3 H 1.622 0.020 1 690 85 71 ARG HD2 H 2.741 0.020 1 691 85 71 ARG HD3 H 2.741 0.020 1 692 85 71 ARG C C 176.738 0.300 1 693 85 71 ARG CA C 58.623 0.300 1 694 85 71 ARG CB C 28.588 0.300 1 695 85 71 ARG CG C 26.138 0.300 1 696 85 71 ARG CD C 42.354 0.300 1 697 85 71 ARG N N 119.090 0.300 1 698 86 72 HIS H H 8.168 0.020 1 699 86 72 HIS HA H 3.743 0.020 1 700 86 72 HIS HB2 H 2.999 0.020 2 701 86 72 HIS HB3 H 2.737 0.020 2 702 86 72 HIS HD2 H 6.326 0.020 1 703 86 72 HIS HE1 H 7.650 0.020 1 704 86 72 HIS C C 176.620 0.300 1 705 86 72 HIS CA C 58.476 0.300 1 706 86 72 HIS CB C 28.854 0.300 1 707 86 72 HIS N N 117.679 0.300 1 708 86 72 HIS ND1 N 216.185 0.300 1 709 86 72 HIS NE2 N 193.886 0.300 1 710 87 73 ARG H H 8.134 0.020 1 711 87 73 ARG HA H 3.862 0.020 1 712 87 73 ARG HB2 H 1.790 0.020 1 713 87 73 ARG HB3 H 1.790 0.020 1 714 87 73 ARG HG2 H 1.745 0.020 1 715 87 73 ARG HG3 H 1.745 0.020 1 716 87 73 ARG HD2 H 3.051 0.020 2 717 87 73 ARG HD3 H 2.751 0.020 2 718 87 73 ARG C C 177.898 0.300 1 719 87 73 ARG CA C 58.676 0.300 1 720 87 73 ARG CB C 28.595 0.300 1 721 87 73 ARG CG C 26.105 0.300 1 722 87 73 ARG CD C 42.341 0.300 1 723 87 73 ARG N N 117.884 0.300 1 724 88 74 LEU H H 7.445 0.020 1 725 88 74 LEU HA H 4.022 0.020 1 726 88 74 LEU HB2 H 1.928 0.020 2 727 88 74 LEU HB3 H 1.597 0.020 2 728 88 74 LEU HG H 1.726 0.020 1 729 88 74 LEU HD1 H 0.739 0.020 1 730 88 74 LEU HD2 H 0.753 0.020 1 731 88 74 LEU C C 178.767 0.300 1 732 88 74 LEU CA C 57.075 0.300 1 733 88 74 LEU CB C 41.621 0.300 1 734 88 74 LEU CG C 25.480 0.300 1 735 88 74 LEU CD1 C 23.625 0.300 1 736 88 74 LEU CD2 C 22.342 0.300 1 737 88 74 LEU N N 119.378 0.300 1 738 89 75 VAL H H 7.278 0.020 1 739 89 75 VAL HA H 3.268 0.020 1 740 89 75 VAL HB H 2.119 0.020 1 741 89 75 VAL HG1 H 0.928 0.020 1 742 89 75 VAL HG2 H 0.661 0.020 1 743 89 75 VAL C C 175.798 0.300 1 744 89 75 VAL CA C 65.790 0.300 1 745 89 75 VAL CB C 30.221 0.300 1 746 89 75 VAL CG1 C 20.813 0.300 1 747 89 75 VAL CG2 C 20.453 0.300 1 748 89 75 VAL N N 118.781 0.300 1 749 90 76 HIS H H 8.539 0.020 1 750 90 76 HIS HA H 3.755 0.020 1 751 90 76 HIS HB2 H 2.927 0.020 2 752 90 76 HIS HB3 H 2.870 0.020 2 753 90 76 HIS HD2 H 6.431 0.020 1 754 90 76 HIS HE1 H 7.597 0.020 1 755 90 76 HIS C C 177.574 0.300 1 756 90 76 HIS CA C 58.305 0.300 1 757 90 76 HIS CB C 29.490 0.300 1 758 90 76 HIS N N 117.136 0.300 1 759 90 76 HIS ND1 N 223.905 0.300 1 760 90 76 HIS NE2 N 187.512 0.300 1 761 91 77 ALA H H 8.211 0.020 1 762 91 77 ALA HA H 3.984 0.020 1 763 91 77 ALA HB H 1.374 0.020 1 764 91 77 ALA C C 179.541 0.300 1 765 91 77 ALA CA C 53.809 0.300 1 766 91 77 ALA CB C 16.933 0.300 1 767 91 77 ALA N N 119.713 0.300 1 768 92 78 ALA H H 7.250 0.020 1 769 92 78 ALA HA H 4.114 0.020 1 770 92 78 ALA HB H 1.189 0.020 1 771 92 78 ALA C C 177.662 0.300 1 772 92 78 ALA CA C 52.911 0.300 1 773 92 78 ALA CB C 16.811 0.300 1 774 92 78 ALA N N 119.064 0.300 1 775 93 79 LEU H H 7.199 0.020 1 776 93 79 LEU HA H 4.789 0.020 1 777 93 79 LEU HB2 H 1.556 0.020 2 778 93 79 LEU HB3 H 1.441 0.020 2 779 93 79 LEU HD1 H 0.636 0.020 1 780 93 79 LEU HD2 H 0.617 0.020 1 781 93 79 LEU C C 175.249 0.300 1 782 93 79 LEU CA C 51.539 0.300 1 783 93 79 LEU CB C 40.365 0.300 1 784 93 79 LEU CG C 26.106 0.300 1 785 93 79 LEU CD1 C 22.608 0.300 1 786 93 79 LEU CD2 C 22.193 0.300 1 787 93 79 LEU N N 115.332 0.300 1 788 94 80 ALA H H 6.918 0.020 1 789 94 80 ALA HA H 3.768 0.020 1 790 94 80 ALA HB H 1.312 0.020 1 791 94 80 ALA C C 179.890 0.300 1 792 94 80 ALA CA C 55.090 0.300 1 793 94 80 ALA CB C 17.766 0.300 1 794 94 80 ALA N N 122.148 0.300 1 795 95 81 GLU H H 8.568 0.020 1 796 95 81 GLU HA H 3.798 0.020 1 797 95 81 GLU HB2 H 1.683 0.020 1 798 95 81 GLU HB3 H 1.683 0.020 1 799 95 81 GLU HG2 H 2.149 0.020 1 800 95 81 GLU HG3 H 2.149 0.020 1 801 95 81 GLU C C 177.905 0.300 1 802 95 81 GLU CA C 58.077 0.300 1 803 95 81 GLU CB C 28.039 0.300 1 804 95 81 GLU CG C 34.833 0.300 1 805 95 81 GLU N N 116.600 0.300 1 806 96 82 GLU H H 8.336 0.020 1 807 96 82 GLU HA H 3.765 0.020 1 808 96 82 GLU HB2 H 2.175 0.020 2 809 96 82 GLU HB3 H 1.434 0.020 2 810 96 82 GLU HG2 H 2.074 0.020 2 811 96 82 GLU HG3 H 1.944 0.020 2 812 96 82 GLU C C 178.024 0.300 1 813 96 82 GLU CA C 60.591 0.300 1 814 96 82 GLU CB C 26.884 0.300 1 815 96 82 GLU CG C 36.726 0.300 1 816 96 82 GLU N N 121.755 0.300 1 817 97 83 LEU H H 8.466 0.020 1 818 97 83 LEU HA H 4.238 0.020 1 819 97 83 LEU HB2 H 1.462 0.020 2 820 97 83 LEU HB3 H 1.332 0.020 2 821 97 83 LEU HG H 1.562 0.020 1 822 97 83 LEU HD1 H 0.483 0.020 1 823 97 83 LEU HD2 H 0.490 0.020 1 824 97 83 LEU C C 176.864 0.300 1 825 97 83 LEU CA C 55.064 0.300 1 826 97 83 LEU CB C 39.790 0.300 1 827 97 83 LEU CG C 27.983 0.300 1 828 97 83 LEU CD1 C 24.418 0.300 1 829 97 83 LEU CD2 C 24.835 0.300 1 830 97 83 LEU N N 118.659 0.300 1 831 98 84 GLY H H 7.467 0.020 1 832 98 84 GLY HA2 H 4.080 0.020 2 833 98 84 GLY HA3 H 3.583 0.020 2 834 98 84 GLY C C 172.969 0.300 1 835 98 84 GLY CA C 43.917 0.300 1 836 98 84 GLY N N 105.634 0.300 1 837 99 85 GLY H H 7.057 0.020 1 838 99 85 GLY HA2 H 3.796 0.020 1 839 99 85 GLY HA3 H 3.796 0.020 1 840 99 85 GLY C C 171.768 0.300 1 841 99 85 GLY CA C 44.220 0.300 1 842 99 85 GLY N N 106.934 0.300 1 843 100 86 PRO HA H 4.242 0.020 1 844 100 86 PRO HB2 H 2.299 0.020 2 845 100 86 PRO HB3 H 1.932 0.020 2 846 100 86 PRO HG2 H 2.103 0.020 1 847 100 86 PRO HG3 H 2.103 0.020 1 848 100 86 PRO HD2 H 4.040 0.020 2 849 100 86 PRO HD3 H 3.554 0.020 2 850 100 86 PRO C C 175.554 0.300 1 851 100 86 PRO CA C 63.576 0.300 1 852 100 86 PRO CB C 31.691 0.300 1 853 100 86 PRO CG C 26.100 0.300 1 854 100 86 PRO CD C 50.502 0.300 1 855 101 87 VAL H H 7.773 0.020 1 856 101 87 VAL HA H 3.887 0.020 1 857 101 87 VAL HB H 1.552 0.020 1 858 101 87 VAL HG1 H 0.606 0.020 1 859 101 87 VAL HG2 H 0.609 0.020 1 860 101 87 VAL C C 174.261 0.300 1 861 101 87 VAL CA C 62.021 0.300 1 862 101 87 VAL CB C 30.827 0.300 1 863 101 87 VAL CG1 C 22.355 0.300 1 864 101 87 VAL CG2 C 20.993 0.300 1 865 101 87 VAL N N 115.198 0.300 1 866 102 88 HIS H H 9.754 0.020 1 867 102 88 HIS HA H 4.287 0.020 1 868 102 88 HIS HB2 H 2.659 0.020 2 869 102 88 HIS HB3 H 2.097 0.020 2 870 102 88 HIS HD2 H 6.809 0.020 1 871 102 88 HIS HE1 H 7.876 0.020 1 872 102 88 HIS C C 174.963 0.300 1 873 102 88 HIS CA C 55.128 0.300 1 874 102 88 HIS CB C 30.112 0.300 1 875 102 88 HIS N N 127.691 0.300 1 876 102 88 HIS ND1 N 205.591 0.300 1 877 102 88 HIS NE2 N 178.301 0.300 1 878 103 89 ALA H H 7.409 0.020 1 879 103 89 ALA HA H 4.351 0.020 1 880 103 89 ALA HB H 1.130 0.020 1 881 103 89 ALA C C 173.067 0.300 1 882 103 89 ALA CA C 51.133 0.300 1 883 103 89 ALA CB C 21.733 0.300 1 884 103 89 ALA N N 119.219 0.300 1 885 104 90 LEU H H 8.423 0.020 1 886 104 90 LEU HA H 4.984 0.020 1 887 104 90 LEU HB2 H 1.367 0.020 2 888 104 90 LEU HB3 H 1.055 0.020 2 889 104 90 LEU HG H 1.163 0.020 1 890 104 90 LEU HD1 H 0.544 0.020 1 891 104 90 LEU HD2 H 0.505 0.020 1 892 104 90 LEU C C 173.722 0.300 1 893 104 90 LEU CA C 51.730 0.300 1 894 104 90 LEU CB C 44.606 0.300 1 895 104 90 LEU CG C 25.484 0.300 1 896 104 90 LEU CD1 C 25.899 0.300 1 897 104 90 LEU CD2 C 24.190 0.300 1 898 104 90 LEU N N 121.313 0.300 1 899 105 91 ALA H H 8.515 0.020 1 900 105 91 ALA HA H 4.658 0.020 1 901 105 91 ALA HB H 1.254 0.020 1 902 105 91 ALA C C 175.445 0.300 1 903 105 91 ALA CA C 50.114 0.300 1 904 105 91 ALA CB C 18.469 0.300 1 905 105 91 ALA N N 130.665 0.300 1 906 106 92 ILE H H 8.556 0.020 1 907 106 92 ILE HA H 4.517 0.020 1 908 106 92 ILE HB H 0.877 0.020 1 909 106 92 ILE HG12 H 1.329 0.020 2 910 106 92 ILE HG13 H 0.318 0.020 2 911 106 92 ILE HG2 H 0.349 0.020 1 912 106 92 ILE HD1 H 0.520 0.020 1 913 106 92 ILE C C 174.022 0.300 1 914 106 92 ILE CA C 59.641 0.300 1 915 106 92 ILE CB C 40.240 0.300 1 916 106 92 ILE CG1 C 26.701 0.300 1 917 106 92 ILE CG2 C 16.724 0.300 1 918 106 92 ILE CD1 C 13.594 0.300 1 919 106 92 ILE N N 122.850 0.300 1 920 107 93 GLN H H 8.714 0.020 1 921 107 93 GLN HA H 4.554 0.020 1 922 107 93 GLN HB2 H 1.873 0.020 1 923 107 93 GLN HB3 H 1.873 0.020 1 924 107 93 GLN HG2 H 2.028 0.020 1 925 107 93 GLN HG3 H 2.028 0.020 1 926 107 93 GLN C C 172.481 0.300 1 927 107 93 GLN CA C 54.095 0.300 1 928 107 93 GLN CB C 29.636 0.300 1 929 107 93 GLN CG C 35.460 0.300 1 930 107 93 GLN N N 127.476 0.300 1 931 108 94 ALA H H 9.147 0.020 1 932 108 94 ALA HA H 5.080 0.020 1 933 108 94 ALA HB H 0.319 0.020 1 934 108 94 ALA C C 175.433 0.300 1 935 108 94 ALA CA C 49.350 0.300 1 936 108 94 ALA CB C 19.027 0.300 1 937 108 94 ALA N N 129.743 0.300 1 938 109 95 ARG H H 8.813 0.020 1 939 109 95 ARG HA H 4.984 0.020 1 940 109 95 ARG HB2 H 2.056 0.020 2 941 109 95 ARG HB3 H 1.642 0.020 2 942 109 95 ARG HG2 H 1.728 0.020 1 943 109 95 ARG HG3 H 1.728 0.020 1 944 109 95 ARG HD2 H 3.119 0.020 2 945 109 95 ARG HD3 H 3.010 0.020 2 946 109 95 ARG C C 174.377 0.300 1 947 109 95 ARG CA C 52.526 0.300 1 948 109 95 ARG CB C 34.055 0.300 1 949 109 95 ARG CG C 26.087 0.300 1 950 109 95 ARG CD C 41.725 0.300 1 951 109 95 ARG N N 123.798 0.300 1 952 110 96 THR H H 9.109 0.020 1 953 110 96 THR HA H 4.789 0.020 1 954 110 96 THR HB H 4.775 0.020 1 955 110 96 THR HG2 H 1.252 0.020 1 956 110 96 THR C C 173.431 0.300 1 957 110 96 THR CA C 58.872 0.300 1 958 110 96 THR CB C 66.689 0.300 1 959 110 96 THR CG2 C 21.104 0.300 1 960 110 96 THR N N 112.445 0.300 1 961 111 97 PRO HA H 4.017 0.020 1 962 111 97 PRO HB2 H 2.429 0.020 1 963 111 97 PRO HB3 H 2.429 0.020 1 964 111 97 PRO HG2 H 2.146 0.020 1 965 111 97 PRO HG3 H 2.146 0.020 1 966 111 97 PRO HD2 H 3.916 0.020 2 967 111 97 PRO HD3 H 3.353 0.020 2 968 111 97 PRO C C 177.445 0.300 1 969 111 97 PRO CA C 65.409 0.300 1 970 111 97 PRO CB C 30.692 0.300 1 971 111 97 PRO CG C 27.305 0.300 1 972 111 97 PRO CD C 48.603 0.300 1 973 112 98 ALA H H 8.472 0.020 1 974 112 98 ALA HA H 3.961 0.020 1 975 112 98 ALA HB H 1.306 0.020 1 976 112 98 ALA C C 179.749 0.300 1 977 112 98 ALA CA C 54.399 0.300 1 978 112 98 ALA CB C 17.308 0.300 1 979 112 98 ALA N N 118.756 0.300 1 980 113 99 GLN H H 7.719 0.020 1 981 113 99 GLN HA H 4.631 0.020 1 982 113 99 GLN HB2 H 2.327 0.020 1 983 113 99 GLN HB3 H 2.327 0.020 1 984 113 99 GLN HG2 H 2.195 0.020 1 985 113 99 GLN HG3 H 2.195 0.020 1 986 113 99 GLN C C 178.148 0.300 1 987 113 99 GLN CA C 57.631 0.300 1 988 113 99 GLN CB C 29.408 0.300 1 989 113 99 GLN CG C 32.418 0.300 1 990 113 99 GLN N N 116.999 0.300 1 991 114 100 TRP H H 8.393 0.020 1 992 114 100 TRP HA H 4.302 0.020 1 993 114 100 TRP HB2 H 3.284 0.020 2 994 114 100 TRP HB3 H 2.914 0.020 2 995 114 100 TRP HD1 H 7.060 0.020 1 996 114 100 TRP HE1 H 10.159 0.020 1 997 114 100 TRP HE3 H 7.934 0.020 1 998 114 100 TRP HZ2 H 7.310 0.020 1 999 114 100 TRP HZ3 H 6.810 0.020 1 1000 114 100 TRP HH2 H 6.960 0.020 1 1001 114 100 TRP C C 176.385 0.300 1 1002 114 100 TRP CA C 58.041 0.300 1 1003 114 100 TRP CB C 29.546 0.300 1 1004 114 100 TRP N N 121.072 0.300 1 1005 114 100 TRP NE1 N 129.348 0.300 1 1006 115 101 ARG H H 7.919 0.020 1 1007 115 101 ARG HA H 3.739 0.020 1 1008 115 101 ARG HB2 H 1.733 0.020 1 1009 115 101 ARG HB3 H 1.733 0.020 1 1010 115 101 ARG HG2 H 1.733 0.020 2 1011 115 101 ARG HG3 H 1.473 0.020 2 1012 115 101 ARG HD2 H 3.115 0.020 2 1013 115 101 ARG HD3 H 3.047 0.020 2 1014 115 101 ARG C C 176.964 0.300 1 1015 115 101 ARG CA C 57.270 0.300 1 1016 115 101 ARG CB C 29.236 0.300 1 1017 115 101 ARG CG C 26.484 0.300 1 1018 115 101 ARG CD C 42.323 0.300 1 1019 115 101 ARG N N 116.773 0.300 1 1020 116 102 GLU H H 7.453 0.020 1 1021 116 102 GLU HA H 3.962 0.020 1 1022 116 102 GLU HB2 H 1.936 0.020 1 1023 116 102 GLU HB3 H 1.936 0.020 1 1024 116 102 GLU HG2 H 2.148 0.020 1 1025 116 102 GLU HG3 H 2.148 0.020 1 1026 116 102 GLU C C 175.899 0.300 1 1027 116 102 GLU CA C 56.673 0.300 1 1028 116 102 GLU CB C 28.768 0.300 1 1029 116 102 GLU CG C 34.837 0.300 1 1030 116 102 GLU N N 117.776 0.300 1 1031 117 103 ASN H H 7.746 0.020 1 1032 117 103 ASN HA H 4.391 0.020 1 1033 117 103 ASN HB2 H 2.655 0.020 2 1034 117 103 ASN HB3 H 2.509 0.020 2 1035 117 103 ASN HD21 H 7.336 0.020 1 1036 117 103 ASN HD22 H 6.712 0.020 1 1037 117 103 ASN C C 173.658 0.300 1 1038 117 103 ASN CA C 52.736 0.300 1 1039 117 103 ASN CB C 37.896 0.300 1 1040 117 103 ASN N N 116.747 0.300 1 1041 117 103 ASN ND2 N 111.657 0.300 1 1042 118 104 SER H H 7.986 0.020 1 1043 118 104 SER HA H 3.722 0.020 1 1044 118 104 SER HB2 H 3.318 0.020 2 1045 118 104 SER HB3 H 3.213 0.020 2 1046 118 104 SER C C 173.562 0.300 1 1047 118 104 SER CA C 56.849 0.300 1 1048 118 104 SER CB C 61.758 0.300 1 1049 118 104 SER N N 116.427 0.300 1 1050 119 105 GLN H H 7.860 0.020 1 1051 119 105 GLN HA H 4.107 0.020 1 1052 119 105 GLN HB2 H 1.863 0.020 1 1053 119 105 GLN HB3 H 1.863 0.020 1 1054 119 105 GLN HG2 H 2.270 0.020 2 1055 119 105 GLN HG3 H 2.186 0.020 2 1056 119 105 GLN HE21 H 7.391 0.020 1 1057 119 105 GLN HE22 H 6.703 0.020 1 1058 119 105 GLN C C 175.022 0.300 1 1059 119 105 GLN CA C 54.787 0.300 1 1060 119 105 GLN CB C 28.046 0.300 1 1061 119 105 GLN CG C 32.341 0.300 1 1062 119 105 GLN N N 120.572 0.300 1 1063 119 105 GLN NE2 N 112.341 0.300 1 1064 120 106 LEU H H 8.146 0.020 1 1065 120 106 LEU HA H 4.264 0.020 1 1066 120 106 LEU HB2 H 1.554 0.020 2 1067 120 106 LEU HB3 H 1.453 0.020 2 1068 120 106 LEU HG H 1.525 0.020 1 1069 120 106 LEU HD1 H 0.808 0.020 1 1070 120 106 LEU HD2 H 0.746 0.020 1 1071 120 106 LEU C C 176.022 0.300 1 1072 120 106 LEU CA C 54.009 0.300 1 1073 120 106 LEU CB C 41.436 0.300 1 1074 120 106 LEU CG C 25.464 0.300 1 1075 120 106 LEU CD1 C 23.617 0.300 1 1076 120 106 LEU CD2 C 22.338 0.300 1 1077 120 106 LEU N N 123.345 0.300 1 1078 121 107 ASP H H 8.348 0.020 1 1079 121 107 ASP HA H 4.505 0.020 1 1080 121 107 ASP HB2 H 2.607 0.020 2 1081 121 107 ASP HB3 H 2.507 0.020 2 1082 121 107 ASP C C 175.439 0.300 1 1083 121 107 ASP CA C 53.333 0.300 1 1084 121 107 ASP CB C 40.029 0.300 1 1085 121 107 ASP N N 121.556 0.300 1 1086 122 108 THR H H 7.997 0.020 1 1087 122 108 THR HA H 4.200 0.020 1 1088 122 108 THR HB H 4.147 0.020 1 1089 122 108 THR HG2 H 1.089 0.020 1 1090 122 108 THR C C 173.595 0.300 1 1091 122 108 THR CA C 60.451 0.300 1 1092 122 108 THR CB C 68.313 0.300 1 1093 122 108 THR CG2 C 20.477 0.300 1 1094 122 108 THR N N 113.351 0.300 1 1095 123 109 SER H H 8.209 0.020 1 1096 123 109 SER HA H 4.590 0.020 1 1097 123 109 SER HB2 H 3.678 0.020 1 1098 123 109 SER HB3 H 3.678 0.020 1 1099 123 109 SER C C 170.899 0.300 1 1100 123 109 SER CA C 55.910 0.300 1 1101 123 109 SER CB C 62.004 0.300 1 1102 123 109 SER N N 119.459 0.300 1 1103 125 111 PRO HA H 4.286 0.020 1 1104 125 111 PRO HB2 H 2.137 0.020 2 1105 125 111 PRO HB3 H 1.736 0.020 2 1106 125 111 PRO HG2 H 1.907 0.020 1 1107 125 111 PRO HG3 H 1.907 0.020 1 1108 125 111 PRO HD2 H 3.694 0.020 2 1109 125 111 PRO HD3 H 3.552 0.020 2 1110 125 111 PRO C C 175.629 0.300 1 1111 125 111 PRO CA C 62.057 0.300 1 1112 125 111 PRO CB C 30.865 0.300 1 1113 125 111 PRO CG C 26.103 0.300 1 1114 125 111 PRO CD C 49.206 0.300 1 1115 126 112 CYS H H 8.365 0.020 1 1116 126 112 CYS HA H 4.362 0.020 1 1117 126 112 CYS HB2 H 2.745 0.020 1 1118 126 112 CYS HB3 H 2.745 0.020 1 1119 126 112 CYS C C 173.792 0.300 1 1120 126 112 CYS CA C 57.275 0.300 1 1121 126 112 CYS CB C 26.700 0.300 1 1122 126 112 CYS N N 119.277 0.300 1 1123 127 113 LEU H H 8.368 0.020 1 1124 127 113 LEU HA H 4.235 0.020 1 1125 127 113 LEU HB2 H 1.487 0.020 1 1126 127 113 LEU HB3 H 1.487 0.020 1 1127 127 113 LEU HG H 1.525 0.020 1 1128 127 113 LEU HD1 H 0.808 0.020 1 1129 127 113 LEU HD2 H 0.740 0.020 1 1130 127 113 LEU C C 176.782 0.300 1 1131 127 113 LEU CA C 54.293 0.300 1 1132 127 113 LEU CB C 41.207 0.300 1 1133 127 113 LEU CG C 25.464 0.300 1 1134 127 113 LEU CD1 C 23.581 0.300 1 1135 127 113 LEU CD2 C 22.351 0.300 1 1136 127 113 LEU N N 125.444 0.300 1 1137 128 114 GLY H H 8.381 0.020 1 1138 128 114 GLY HA2 H 3.810 0.020 1 1139 128 114 GLY HA3 H 3.810 0.020 1 1140 128 114 GLY C C 173.635 0.300 1 1141 128 114 GLY CA C 44.284 0.300 1 1142 128 114 GLY N N 109.598 0.300 1 1143 129 115 GLY H H 8.174 0.020 1 1144 129 115 GLY HA2 H 3.810 0.020 1 1145 129 115 GLY HA3 H 3.810 0.020 1 1146 129 115 GLY C C 172.969 0.300 1 1147 129 115 GLY CA C 44.187 0.300 1 1148 129 115 GLY N N 108.342 0.300 1 1149 130 116 ASN H H 8.277 0.020 1 1150 130 116 ASN HA H 4.550 0.020 1 1151 130 116 ASN HB2 H 2.709 0.020 2 1152 130 116 ASN HB3 H 2.652 0.020 2 1153 130 116 ASN HD21 H 6.830 0.020 1 1154 130 116 ASN HD22 H 7.508 0.020 1 1155 130 116 ASN C C 174.272 0.300 1 1156 130 116 ASN CA C 52.118 0.300 1 1157 130 116 ASN CB C 37.768 0.300 1 1158 130 116 ASN N N 118.356 0.300 1 1159 130 116 ASN ND2 N 112.619 0.300 1 1160 131 117 LYS H H 8.223 0.020 1 1161 131 117 LYS HA H 4.144 0.020 1 1162 131 117 LYS HB2 H 1.725 0.020 2 1163 131 117 LYS HB3 H 1.656 0.020 2 1164 131 117 LYS HG2 H 1.335 0.020 2 1165 131 117 LYS HG3 H 1.288 0.020 2 1166 131 117 LYS HD2 H 1.562 0.020 1 1167 131 117 LYS HD3 H 1.562 0.020 1 1168 131 117 LYS HE2 H 2.876 0.020 1 1169 131 117 LYS HE3 H 2.876 0.020 1 1170 131 117 LYS C C 175.552 0.300 1 1171 131 117 LYS CA C 55.559 0.300 1 1172 131 117 LYS CB C 31.861 0.300 1 1173 131 117 LYS CG C 23.601 0.300 1 1174 131 117 LYS CD C 27.900 0.300 1 1175 131 117 LYS CE C 41.093 0.300 1 1176 131 117 LYS N N 121.335 0.300 1 1177 132 118 LYS H H 8.257 0.020 1 1178 132 118 LYS HA H 4.216 0.020 1 1179 132 118 LYS HB2 H 1.652 0.020 1 1180 132 118 LYS HB3 H 1.652 0.020 1 1181 132 118 LYS HG2 H 1.562 0.020 1 1182 132 118 LYS HG3 H 1.562 0.020 1 1183 132 118 LYS HD2 H 1.562 0.020 1 1184 132 118 LYS HD3 H 1.562 0.020 1 1185 132 118 LYS HE2 H 2.874 0.020 1 1186 132 118 LYS HE3 H 2.874 0.020 1 1187 132 118 LYS C C 175.666 0.300 1 1188 132 118 LYS CA C 55.477 0.300 1 1189 132 118 LYS CB C 31.904 0.300 1 1190 132 118 LYS CG C 23.594 0.300 1 1191 132 118 LYS CD C 27.935 0.300 1 1192 132 118 LYS CE C 41.089 0.300 1 1193 132 118 LYS N N 122.264 0.300 1 1194 133 119 THR H H 8.096 0.020 1 1195 133 119 THR HA H 4.176 0.020 1 1196 133 119 THR HB H 4.074 0.020 1 1197 133 119 THR HG2 H 1.090 0.020 1 1198 133 119 THR C C 173.435 0.300 1 1199 133 119 THR CA C 60.729 0.300 1 1200 133 119 THR CB C 68.602 0.300 1 1201 133 119 THR CG2 C 20.781 0.300 1 1202 133 119 THR N N 115.813 0.300 1 1203 134 120 LEU H H 8.258 0.020 1 1204 134 120 LEU HA H 4.212 0.020 1 1205 134 120 LEU HB2 H 1.499 0.020 2 1206 134 120 LEU HB3 H 1.443 0.020 2 1207 134 120 LEU HG H 1.510 0.020 1 1208 134 120 LEU HD1 H 1.517 0.020 1 1209 134 120 LEU HD2 H 0.788 0.020 1 1210 134 120 LEU C C 176.728 0.300 1 1211 134 120 LEU CA C 54.384 0.300 1 1212 134 120 LEU CB C 41.221 0.300 1 1213 134 120 LEU CG C 25.479 0.300 1 1214 134 120 LEU CD1 C 23.632 0.300 1 1215 134 120 LEU CD2 C 22.349 0.300 1 1216 134 120 LEU N N 124.632 0.300 1 1217 135 121 GLY H H 8.342 0.020 1 1218 135 121 GLY HA2 H 3.831 0.020 1 1219 135 121 GLY HA3 H 3.831 0.020 1 1220 135 121 GLY C C 172.846 0.300 1 1221 135 121 GLY CA C 44.086 0.300 1 1222 135 121 GLY N N 109.662 0.300 1 1223 136 122 THR H H 7.877 0.020 1 1224 136 122 THR HA H 4.507 0.020 1 1225 136 122 THR HB H 4.040 0.020 1 1226 136 122 THR HG2 H 1.139 0.020 1 1227 136 122 THR C C 171.187 0.300 1 1228 136 122 THR CA C 58.490 0.300 1 1229 136 122 THR CB C 68.748 0.300 1 1230 136 122 THR CG2 C 19.848 0.300 1 1231 136 122 THR N N 115.983 0.300 1 stop_ save_