data_30300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of human Rev1 (932-1039) in complex with ubiquitin ; _BMRB_accession_number 30300 _BMRB_flat_file_name bmr30300.str _Entry_type original _Submission_date 2017-05-29 _Accession_date 2017-05-29 _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 Cui G. . . 2 Botuyan M. V. . 3 Mer G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1065 "13C chemical shifts" 802 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-03 update BMRB 'update entry citation' 2018-05-17 original author 'original release' stop_ _Original_release_date 2017-06-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of human Rev1 (932-1039) in complex with ubiquitin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29778604 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui G. . . 2 Botuyan M. V. . 3 Mer G. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 430 _Journal_issue 14 _Journal_ISSN 1089-8638 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2042 _Page_last 2050 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin, DNA repair protein REV1 (E.C.2.7.7.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8576.831 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 11985.354 _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 111 _Mol_residue_sequence ; GHMPSPSQLDQSVLEALPPD LREQVEQVCAVQQAESHGDK KKEPVNGCNTGILPQPVGTV LLQIPEPQESNSDAGINLIA LPAFSQVDPEVFAALPAELQ RELKAAYDQRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 929 GLY 2 930 HIS 3 931 MET 4 932 PRO 5 933 SER 6 934 PRO 7 935 SER 8 936 GLN 9 937 LEU 10 938 ASP 11 939 GLN 12 940 SER 13 941 VAL 14 942 LEU 15 943 GLU 16 944 ALA 17 945 LEU 18 946 PRO 19 947 PRO 20 948 ASP 21 949 LEU 22 950 ARG 23 951 GLU 24 952 GLN 25 953 VAL 26 954 GLU 27 955 GLN 28 956 VAL 29 957 CYS 30 958 ALA 31 959 VAL 32 960 GLN 33 961 GLN 34 962 ALA 35 963 GLU 36 964 SER 37 965 HIS 38 966 GLY 39 967 ASP 40 968 LYS 41 969 LYS 42 970 LYS 43 971 GLU 44 972 PRO 45 973 VAL 46 974 ASN 47 975 GLY 48 976 CYS 49 977 ASN 50 978 THR 51 979 GLY 52 980 ILE 53 981 LEU 54 982 PRO 55 983 GLN 56 984 PRO 57 985 VAL 58 986 GLY 59 987 THR 60 988 VAL 61 989 LEU 62 990 LEU 63 991 GLN 64 992 ILE 65 993 PRO 66 994 GLU 67 995 PRO 68 996 GLN 69 997 GLU 70 998 SER 71 999 ASN 72 1000 SER 73 1001 ASP 74 1002 ALA 75 1003 GLY 76 1004 ILE 77 1005 ASN 78 1006 LEU 79 1007 ILE 80 1008 ALA 81 1009 LEU 82 1010 PRO 83 1011 ALA 84 1012 PHE 85 1013 SER 86 1014 GLN 87 1015 VAL 88 1016 ASP 89 1017 PRO 90 1018 GLU 91 1019 VAL 92 1020 PHE 93 1021 ALA 94 1022 ALA 95 1023 LEU 96 1024 PRO 97 1025 ALA 98 1026 GLU 99 1027 LEU 100 1028 GLN 101 1029 ARG 102 1030 GLU 103 1031 LEU 104 1032 LYS 105 1033 ALA 106 1034 ALA 107 1035 TYR 108 1036 ASP 109 1037 GLN 110 1038 ARG 111 1039 GLN 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 UBB $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'REV1, REV1L' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) Plasmid pRSUb $entity_2 'recombinant technology' . Escherichia coli BL21(DE3) Plasmid pTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] Ubiquitin, 20 mM Sodium phosphate buffer, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'Sodium phosphate buffer' 20 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] Rev1, 3 mM Ubiquitin, 50 mM Sodium phosphate buffer, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1 mM '[U-100% 13C; U-100% 15N]' 'Sodium phosphate buffer' 50 mM 'natural abundance' $entity_1 3 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '3 mM Rev1, 1 mM [U-100% 13C; U-100% 15N] Ubiquitin, 50 mM Sodium phosphate buffer, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 3 mM 'natural abundance' 'Sodium phosphate buffer' 50 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 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 CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_7 _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_8 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_13C,15N-filetered/edited_NOESY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filetered/edited NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_34 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_35 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_13C,15N-filetered/edited_NOESY_36 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filetered/edited NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 303 . 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 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D (H)CC(CO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' '13C,15N-filetered/edited NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 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 1 1 MET HA H 4.230 0.03 1 2 1 1 MET HB2 H 2.055 0.03 2 3 1 1 MET HB3 H 2.109 0.03 2 4 1 1 MET HG2 H 1.918 0.03 2 5 1 1 MET HG3 H 2.558 0.03 2 6 1 1 MET HE H 1.620 0.03 1 7 1 1 MET C C 170.423 0.30 1 8 1 1 MET CA C 54.500 0.30 1 9 1 1 MET CB C 33.057 0.30 1 10 1 1 MET CG C 30.903 0.30 1 11 1 1 MET CE C 17.781 0.30 1 12 2 2 GLN HA H 5.321 0.03 1 13 2 2 GLN HB2 H 1.857 0.03 2 14 2 2 GLN HB3 H 1.600 0.03 2 15 2 2 GLN HG2 H 1.867 0.03 2 16 2 2 GLN HG3 H 2.239 0.03 2 17 2 2 GLN HE21 H 7.694 0.03 2 18 2 2 GLN HE22 H 6.769 0.03 2 19 2 2 GLN C C 176.018 0.30 1 20 2 2 GLN CA C 50.061 0.30 1 21 2 2 GLN CB C 30.669 0.30 1 22 2 2 GLN CG C 34.573 0.30 1 23 2 2 GLN NE2 N 111.165 0.30 1 24 3 3 ILE H H 8.290 0.03 1 25 3 3 ILE HA H 4.165 0.03 1 26 3 3 ILE HB H 1.756 0.03 1 27 3 3 ILE HG12 H 0.811 0.03 2 28 3 3 ILE HG13 H 1.048 0.03 2 29 3 3 ILE HG2 H 0.602 0.03 1 30 3 3 ILE HD1 H 0.569 0.03 1 31 3 3 ILE C C 172.241 0.30 1 32 3 3 ILE CA C 59.646 0.30 1 33 3 3 ILE CB C 42.072 0.30 1 34 3 3 ILE CG1 C 24.957 0.30 1 35 3 3 ILE CG2 C 17.788 0.30 1 36 3 3 ILE CD1 C 14.160 0.30 1 37 3 3 ILE N N 114.774 0.30 1 38 4 4 PHE H H 8.575 0.03 1 39 4 4 PHE HA H 5.548 0.03 1 40 4 4 PHE HB2 H 3.035 0.03 2 41 4 4 PHE HB3 H 2.820 0.03 2 42 4 4 PHE HD1 H 7.053 0.03 3 43 4 4 PHE HD2 H 7.053 0.03 3 44 4 4 PHE HE1 H 7.218 0.03 3 45 4 4 PHE HE2 H 7.218 0.03 3 46 4 4 PHE HZ H 7.222 0.03 1 47 4 4 PHE C C 174.852 0.30 1 48 4 4 PHE CA C 55.223 0.30 1 49 4 4 PHE CB C 41.087 0.30 1 50 4 4 PHE CD1 C 132.170 0.30 3 51 4 4 PHE CD2 C 132.170 0.30 3 52 4 4 PHE CE1 C 129.476 0.30 3 53 4 4 PHE CE2 C 131.336 0.30 3 54 4 4 PHE CZ C 132.728 0.30 1 55 4 4 PHE N N 118.535 0.30 1 56 5 5 VAL H H 9.346 0.03 1 57 5 5 VAL HA H 4.745 0.03 1 58 5 5 VAL HB H 1.930 0.03 1 59 5 5 VAL HG1 H 0.681 0.03 2 60 5 5 VAL HG2 H 0.716 0.03 2 61 5 5 VAL C C 174.560 0.30 1 62 5 5 VAL CA C 60.557 0.30 1 63 5 5 VAL CB C 33.949 0.30 1 64 5 5 VAL CG1 C 22.986 0.30 2 65 5 5 VAL CG2 C 20.709 0.30 2 66 5 5 VAL N N 121.914 0.30 1 67 6 6 LYS H H 9.062 0.03 1 68 6 6 LYS HA H 5.342 0.03 1 69 6 6 LYS HB2 H 1.612 0.03 2 70 6 6 LYS HB3 H 1.319 0.03 2 71 6 6 LYS HG2 H 1.335 0.03 2 72 6 6 LYS HG3 H 1.498 0.03 2 73 6 6 LYS HD2 H 1.582 0.03 2 74 6 6 LYS HD3 H 1.582 0.03 2 75 6 6 LYS HE2 H 2.803 0.03 2 76 6 6 LYS HE3 H 2.803 0.03 2 77 6 6 LYS C C 176.504 0.30 1 78 6 6 LYS CA C 54.665 0.30 1 79 6 6 LYS CB C 35.379 0.30 1 80 6 6 LYS CG C 24.831 0.30 1 81 6 6 LYS CD C 29.643 0.30 1 82 6 6 LYS CE C 41.711 0.30 1 83 6 6 LYS N N 128.051 0.30 1 84 7 7 THR H H 8.729 0.03 1 85 7 7 THR HA H 5.193 0.03 1 86 7 7 THR HB H 4.840 0.03 1 87 7 7 THR HG2 H 1.208 0.03 1 88 7 7 THR C C 176.504 0.30 1 89 7 7 THR CA C 60.558 0.30 1 90 7 7 THR CB C 70.759 0.30 1 91 7 7 THR CG2 C 21.698 0.30 1 92 7 7 THR N N 114.585 0.30 1 93 8 8 LEU H H 9.023 0.03 1 94 8 8 LEU HA H 4.256 0.03 1 95 8 8 LEU HB2 H 1.966 0.03 2 96 8 8 LEU HB3 H 1.966 0.03 2 97 8 8 LEU HG H 2.126 0.03 1 98 8 8 LEU HD1 H 1.269 0.03 2 99 8 8 LEU HD2 H 1.145 0.03 2 100 8 8 LEU C C 176.629 0.30 1 101 8 8 LEU CA C 56.934 0.30 1 102 8 8 LEU CB C 42.494 0.30 1 103 8 8 LEU CG C 27.820 0.30 1 104 8 8 LEU CD1 C 25.933 0.30 2 105 8 8 LEU CD2 C 24.792 0.30 2 106 8 8 LEU N N 119.735 0.30 1 107 9 9 THR H H 7.570 0.03 1 108 9 9 THR HA H 4.754 0.03 1 109 9 9 THR HB H 4.622 0.03 1 110 9 9 THR HG2 H 1.210 0.03 1 111 9 9 THR C C 175.990 0.30 1 112 9 9 THR CA C 61.141 0.30 1 113 9 9 THR CB C 69.366 0.30 1 114 9 9 THR CG2 C 21.901 0.30 1 115 9 9 THR N N 103.838 0.30 1 116 10 10 GLY H H 7.942 0.03 1 117 10 10 GLY HA2 H 4.531 0.03 2 118 10 10 GLY HA3 H 3.593 0.03 2 119 10 10 GLY C C 173.894 0.30 1 120 10 10 GLY CA C 45.186 0.30 1 121 10 10 GLY N N 109.938 0.30 1 122 11 11 LYS H H 7.283 0.03 1 123 11 11 LYS HA H 4.332 0.03 1 124 11 11 LYS HB2 H 1.797 0.03 2 125 11 11 LYS HB3 H 1.695 0.03 2 126 11 11 LYS HG2 H 1.207 0.03 2 127 11 11 LYS HG3 H 1.403 0.03 2 128 11 11 LYS HD2 H 1.592 0.03 2 129 11 11 LYS HD3 H 1.592 0.03 2 130 11 11 LYS HE2 H 2.902 0.03 2 131 11 11 LYS HE3 H 2.902 0.03 2 132 11 11 LYS C C 175.768 0.30 1 133 11 11 LYS CA C 56.566 0.30 1 134 11 11 LYS CB C 32.912 0.30 1 135 11 11 LYS CG C 25.339 0.30 1 136 11 11 LYS CD C 29.210 0.30 1 137 11 11 LYS CE C 41.964 0.30 1 138 11 11 LYS N N 122.603 0.30 1 139 12 12 THR H H 8.623 0.03 1 140 12 12 THR HA H 5.067 0.03 1 141 12 12 THR HB H 3.927 0.03 1 142 12 12 THR HG2 H 1.057 0.03 1 143 12 12 THR C C 174.074 0.30 1 144 12 12 THR CA C 62.550 0.30 1 145 12 12 THR CB C 69.886 0.30 1 146 12 12 THR CG2 C 21.847 0.30 1 147 12 12 THR N N 120.689 0.30 1 148 13 13 ILE H H 9.713 0.03 1 149 13 13 ILE HA H 4.386 0.03 1 150 13 13 ILE HB H 1.828 0.03 1 151 13 13 ILE HG12 H 1.043 0.03 2 152 13 13 ILE HG13 H 1.468 0.03 2 153 13 13 ILE HG2 H 0.857 0.03 1 154 13 13 ILE HD1 H 0.696 0.03 1 155 13 13 ILE C C 175.254 0.30 1 156 13 13 ILE CA C 60.284 0.30 1 157 13 13 ILE CB C 39.994 0.30 1 158 13 13 ILE CG1 C 27.124 0.30 1 159 13 13 ILE CG2 C 17.753 0.30 1 160 13 13 ILE CD1 C 14.718 0.30 1 161 13 13 ILE N N 129.286 0.30 1 162 14 14 THR H H 8.774 0.03 1 163 14 14 THR HA H 4.931 0.03 1 164 14 14 THR HB H 4.034 0.03 1 165 14 14 THR HG2 H 1.126 0.03 1 166 14 14 THR C C 173.644 0.30 1 167 14 14 THR CA C 62.391 0.30 1 168 14 14 THR CB C 69.478 0.30 1 169 14 14 THR CG2 C 21.802 0.30 1 170 14 14 THR N N 122.668 0.30 1 171 15 15 LEU H H 8.673 0.03 1 172 15 15 LEU HA H 4.759 0.03 1 173 15 15 LEU HB2 H 1.347 0.03 2 174 15 15 LEU HB3 H 1.191 0.03 2 175 15 15 LEU HG H 1.391 0.03 1 176 15 15 LEU HD1 H 0.693 0.03 2 177 15 15 LEU HD2 H 0.740 0.03 2 178 15 15 LEU C C 174.435 0.30 1 179 15 15 LEU CA C 52.929 0.30 1 180 15 15 LEU CB C 46.980 0.30 1 181 15 15 LEU CG C 26.842 0.30 1 182 15 15 LEU CD1 C 27.130 0.30 2 183 15 15 LEU CD2 C 23.961 0.30 2 184 15 15 LEU N N 125.117 0.30 1 185 16 16 GLU H H 8.107 0.03 1 186 16 16 GLU HA H 4.877 0.03 1 187 16 16 GLU HB2 H 1.812 0.03 2 188 16 16 GLU HB3 H 1.901 0.03 2 189 16 16 GLU HG2 H 2.228 0.03 2 190 16 16 GLU HG3 H 2.068 0.03 2 191 16 16 GLU C C 175.740 0.30 1 192 16 16 GLU CA C 55.616 0.30 1 193 16 16 GLU CB C 30.432 0.30 1 194 16 16 GLU CG C 35.259 0.30 1 195 16 16 GLU N N 121.251 0.30 1 196 17 17 VAL H H 8.951 0.03 1 197 17 17 VAL HA H 4.677 0.03 1 198 17 17 VAL HB H 2.325 0.03 1 199 17 17 VAL HG1 H 0.691 0.03 2 200 17 17 VAL HG2 H 0.404 0.03 2 201 17 17 VAL C C 173.949 0.30 1 202 17 17 VAL CA C 58.656 0.30 1 203 17 17 VAL CB C 36.333 0.30 1 204 17 17 VAL CG1 C 22.150 0.30 2 205 17 17 VAL CG2 C 19.581 0.30 2 206 17 17 VAL N N 117.620 0.30 1 207 18 18 GLU H H 8.669 0.03 1 208 18 18 GLU HA H 5.068 0.03 1 209 18 18 GLU HB2 H 1.574 0.03 2 210 18 18 GLU HB3 H 2.119 0.03 2 211 18 18 GLU HG2 H 2.335 0.03 2 212 18 18 GLU HG3 H 2.201 0.03 2 213 18 18 GLU CA C 52.976 0.30 1 214 18 18 GLU CB C 30.834 0.30 1 215 18 18 GLU CG C 35.059 0.30 1 216 18 18 GLU N N 119.361 0.30 1 217 19 19 PRO HA H 4.108 0.03 1 218 19 19 PRO HB2 H 1.964 0.03 2 219 19 19 PRO HB3 H 2.419 0.03 2 220 19 19 PRO HG2 H 2.037 0.03 2 221 19 19 PRO HG3 H 2.176 0.03 2 222 19 19 PRO HD2 H 3.791 0.03 2 223 19 19 PRO HD3 H 3.996 0.03 2 224 19 19 PRO C C 175.143 0.30 1 225 19 19 PRO CA C 65.916 0.30 1 226 19 19 PRO CB C 31.807 0.30 1 227 19 19 PRO CG C 27.990 0.30 1 228 19 19 PRO CD C 50.493 0.30 1 229 20 20 SER H H 7.136 0.03 1 230 20 20 SER HA H 4.345 0.03 1 231 20 20 SER HB2 H 3.772 0.03 2 232 20 20 SER HB3 H 4.143 0.03 2 233 20 20 SER C C 174.629 0.30 1 234 20 20 SER CA C 57.615 0.30 1 235 20 20 SER CB C 63.354 0.30 1 236 20 20 SER N N 103.771 0.30 1 237 21 21 ASP H H 8.052 0.03 1 238 21 21 ASP HA H 4.664 0.03 1 239 21 21 ASP HB2 H 2.945 0.03 2 240 21 21 ASP HB3 H 2.508 0.03 2 241 21 21 ASP C C 176.226 0.30 1 242 21 21 ASP CA C 56.172 0.30 1 243 21 21 ASP CB C 40.950 0.30 1 244 21 21 ASP N N 123.987 0.30 1 245 22 22 THR H H 7.867 0.03 1 246 22 22 THR HA H 4.904 0.03 1 247 22 22 THR HB H 4.802 0.03 1 248 22 22 THR HG2 H 1.243 0.03 1 249 22 22 THR C C 177.392 0.30 1 250 22 22 THR CA C 59.695 0.30 1 251 22 22 THR CB C 71.170 0.30 1 252 22 22 THR CG2 C 22.152 0.30 1 253 22 22 THR N N 108.978 0.30 1 254 23 23 ILE H H 8.544 0.03 1 255 23 23 ILE HA H 3.632 0.03 1 256 23 23 ILE HB H 2.526 0.03 1 257 23 23 ILE HG12 H 1.308 0.03 2 258 23 23 ILE HG13 H 1.919 0.03 2 259 23 23 ILE HG2 H 0.770 0.03 1 260 23 23 ILE HD1 H 0.563 0.03 1 261 23 23 ILE CA C 62.475 0.30 1 262 23 23 ILE CB C 34.261 0.30 1 263 23 23 ILE CG1 C 27.820 0.30 1 264 23 23 ILE CG2 C 18.158 0.30 1 265 23 23 ILE CD1 C 9.311 0.30 1 266 23 23 ILE N N 121.595 0.30 1 267 24 24 GLU HA H 3.866 0.03 1 268 24 24 GLU HB2 H 2.014 0.03 2 269 24 24 GLU HB3 H 2.014 0.03 2 270 24 24 GLU HG2 H 2.319 0.03 2 271 24 24 GLU HG3 H 2.319 0.03 2 272 24 24 GLU C C 178.933 0.30 1 273 24 24 GLU CA C 60.886 0.30 1 274 24 24 GLU CB C 28.839 0.30 1 275 24 24 GLU CG C 36.175 0.30 1 276 25 25 ASN H H 7.938 0.03 1 277 25 25 ASN HA H 4.547 0.03 1 278 25 25 ASN HB2 H 2.845 0.03 2 279 25 25 ASN HB3 H 3.220 0.03 2 280 25 25 ASN HD21 H 6.927 0.03 2 281 25 25 ASN HD22 H 7.866 0.03 2 282 25 25 ASN C C 178.267 0.30 1 283 25 25 ASN CA C 56.342 0.30 1 284 25 25 ASN CB C 38.401 0.30 1 285 25 25 ASN N N 121.198 0.30 1 286 25 25 ASN ND2 N 109.928 0.30 1 287 26 26 VAL H H 8.134 0.03 1 288 26 26 VAL HA H 3.378 0.03 1 289 26 26 VAL HB H 2.331 0.03 1 290 26 26 VAL HG1 H 0.687 0.03 2 291 26 26 VAL HG2 H 0.974 0.03 2 292 26 26 VAL C C 177.809 0.30 1 293 26 26 VAL CA C 67.734 0.30 1 294 26 26 VAL CB C 30.672 0.30 1 295 26 26 VAL CG1 C 21.563 0.30 2 296 26 26 VAL CG2 C 23.702 0.30 2 297 26 26 VAL N N 122.268 0.30 1 298 27 27 LYS H H 8.520 0.03 1 299 27 27 LYS HA H 4.609 0.03 1 300 27 27 LYS HB2 H 1.986 0.03 2 301 27 27 LYS HB3 H 1.436 0.03 2 302 27 27 LYS HG2 H 1.397 0.03 2 303 27 27 LYS HG3 H 1.590 0.03 2 304 27 27 LYS HD2 H 1.632 0.03 2 305 27 27 LYS HD3 H 1.707 0.03 2 306 27 27 LYS HE2 H 2.668 0.03 2 307 27 27 LYS HE3 H 2.589 0.03 2 308 27 27 LYS C C 180.530 0.30 1 309 27 27 LYS CA C 59.437 0.30 1 310 27 27 LYS CB C 33.679 0.30 1 311 27 27 LYS CG C 26.260 0.30 1 312 27 27 LYS CD C 30.418 0.30 1 313 27 27 LYS CE C 42.408 0.30 1 314 27 27 LYS N N 119.100 0.30 1 315 28 28 ALA H H 7.998 0.03 1 316 28 28 ALA HA H 4.150 0.03 1 317 28 28 ALA HB H 1.620 0.03 1 318 28 28 ALA C C 180.155 0.30 1 319 28 28 ALA CA C 55.384 0.30 1 320 28 28 ALA CB C 17.604 0.30 1 321 28 28 ALA N N 123.543 0.30 1 322 29 29 LYS H H 7.911 0.03 1 323 29 29 LYS HA H 4.163 0.03 1 324 29 29 LYS HB2 H 1.935 0.03 2 325 29 29 LYS HB3 H 2.122 0.03 2 326 29 29 LYS HG2 H 1.781 0.03 2 327 29 29 LYS HG3 H 1.592 0.03 2 328 29 29 LYS HD2 H 1.435 0.03 2 329 29 29 LYS HD3 H 1.795 0.03 2 330 29 29 LYS HE2 H 2.960 0.03 2 331 29 29 LYS HE3 H 3.162 0.03 2 332 29 29 LYS C C 180.322 0.30 1 333 29 29 LYS CA C 59.842 0.30 1 334 29 29 LYS CB C 33.221 0.30 1 335 29 29 LYS CG C 26.617 0.30 1 336 29 29 LYS CD C 30.299 0.30 1 337 29 29 LYS CE C 42.547 0.30 1 338 29 29 LYS N N 120.498 0.30 1 339 30 30 ILE H H 8.277 0.03 1 340 30 30 ILE HA H 3.500 0.03 1 341 30 30 ILE HB H 2.364 0.03 1 342 30 30 ILE HG12 H 0.672 0.03 2 343 30 30 ILE HG13 H 2.003 0.03 2 344 30 30 ILE HG2 H 0.681 0.03 1 345 30 30 ILE HD1 H 0.883 0.03 1 346 30 30 ILE C C 178.114 0.30 1 347 30 30 ILE CA C 66.224 0.30 1 348 30 30 ILE CB C 36.818 0.30 1 349 30 30 ILE CG1 C 31.333 0.30 1 350 30 30 ILE CG2 C 17.014 0.30 1 351 30 30 ILE CD1 C 14.876 0.30 1 352 30 30 ILE N N 121.631 0.30 1 353 31 31 GLN H H 8.511 0.03 1 354 31 31 GLN HA H 3.826 0.03 1 355 31 31 GLN HB2 H 1.948 0.03 2 356 31 31 GLN HB3 H 2.491 0.03 2 357 31 31 GLN HG2 H 2.267 0.03 2 358 31 31 GLN HG3 H 1.987 0.03 2 359 31 31 GLN HE21 H 7.696 0.03 2 360 31 31 GLN HE22 H 6.845 0.03 2 361 31 31 GLN C C 178.933 0.30 1 362 31 31 GLN CA C 60.002 0.30 1 363 31 31 GLN CB C 27.576 0.30 1 364 31 31 GLN CG C 33.992 0.30 1 365 31 31 GLN N N 123.703 0.30 1 366 31 31 GLN NE2 N 110.364 0.30 1 367 32 32 ASP H H 8.094 0.03 1 368 32 32 ASP HA H 4.322 0.03 1 369 32 32 ASP HB2 H 2.735 0.03 2 370 32 32 ASP HB3 H 2.831 0.03 2 371 32 32 ASP C C 177.337 0.30 1 372 32 32 ASP CA C 57.688 0.30 1 373 32 32 ASP CB C 41.033 0.30 1 374 32 32 ASP N N 120.062 0.30 1 375 33 33 LYS H H 7.478 0.03 1 376 33 33 LYS HA H 4.283 0.03 1 377 33 33 LYS HB2 H 1.853 0.03 2 378 33 33 LYS HB3 H 1.991 0.03 2 379 33 33 LYS HG2 H 1.592 0.03 2 380 33 33 LYS HG3 H 1.592 0.03 2 381 33 33 LYS HD2 H 1.700 0.03 2 382 33 33 LYS HD3 H 1.700 0.03 2 383 33 33 LYS HE2 H 3.160 0.03 2 384 33 33 LYS HE3 H 3.160 0.03 2 385 33 33 LYS C C 177.837 0.30 1 386 33 33 LYS CA C 58.495 0.30 1 387 33 33 LYS CB C 34.103 0.30 1 388 33 33 LYS CG C 25.314 0.30 1 389 33 33 LYS CD C 28.989 0.30 1 390 33 33 LYS CE C 42.249 0.30 1 391 33 33 LYS N N 115.726 0.30 1 392 34 34 GLU H H 8.689 0.03 1 393 34 34 GLU HA H 4.558 0.03 1 394 34 34 GLU HB2 H 1.676 0.03 2 395 34 34 GLU HB3 H 2.271 0.03 2 396 34 34 GLU HG2 H 2.174 0.03 2 397 34 34 GLU HG3 H 2.056 0.03 2 398 34 34 GLU C C 177.837 0.30 1 399 34 34 GLU CA C 55.379 0.30 1 400 34 34 GLU CB C 33.062 0.30 1 401 34 34 GLU CG C 36.279 0.30 1 402 34 34 GLU N N 114.029 0.30 1 403 35 35 GLY H H 8.493 0.03 1 404 35 35 GLY HA2 H 4.123 0.03 2 405 35 35 GLY HA3 H 3.909 0.03 2 406 35 35 GLY C C 173.921 0.30 1 407 35 35 GLY CA C 45.164 0.30 1 408 35 35 GLY N N 108.537 0.30 1 409 36 36 ILE H H 6.149 0.03 1 410 36 36 ILE HA H 4.376 0.03 1 411 36 36 ILE HB H 1.391 0.03 1 412 36 36 ILE HG12 H 1.365 0.03 2 413 36 36 ILE HG13 H 1.075 0.03 2 414 36 36 ILE HG2 H 0.934 0.03 1 415 36 36 ILE HD1 H 0.774 0.03 1 416 36 36 ILE CA C 57.934 0.30 1 417 36 36 ILE CB C 40.403 0.30 1 418 36 36 ILE CG1 C 26.887 0.30 1 419 36 36 ILE CG2 C 18.058 0.30 1 420 36 36 ILE CD1 C 13.645 0.30 1 421 36 36 ILE N N 120.334 0.30 1 422 37 37 PRO HA H 4.601 0.03 1 423 37 37 PRO HB2 H 1.940 0.03 2 424 37 37 PRO HB3 H 2.409 0.03 2 425 37 37 PRO HG2 H 2.022 0.03 2 426 37 37 PRO HG3 H 2.096 0.03 2 427 37 37 PRO HD2 H 3.552 0.03 2 428 37 37 PRO HD3 H 4.207 0.03 2 429 37 37 PRO CA C 61.368 0.30 1 430 37 37 PRO CB C 31.852 0.30 1 431 37 37 PRO CG C 28.177 0.30 1 432 37 37 PRO CD C 51.064 0.30 1 433 38 38 PRO HA H 4.120 0.03 1 434 38 38 PRO HB2 H 2.028 0.03 2 435 38 38 PRO HB3 H 2.213 0.03 2 436 38 38 PRO HG2 H 1.604 0.03 2 437 38 38 PRO HG3 H 2.172 0.03 2 438 38 38 PRO HD2 H 3.745 0.03 2 439 38 38 PRO HD3 H 3.745 0.03 2 440 38 38 PRO C C 178.350 0.30 1 441 38 38 PRO CA C 66.061 0.30 1 442 38 38 PRO CB C 32.911 0.30 1 443 38 38 PRO CG C 27.777 0.30 1 444 38 38 PRO CD C 51.177 0.30 1 445 39 39 ASP H H 8.561 0.03 1 446 39 39 ASP HA H 4.390 0.03 1 447 39 39 ASP HB2 H 2.663 0.03 2 448 39 39 ASP HB3 H 2.767 0.03 2 449 39 39 ASP C C 177.045 0.30 1 450 39 39 ASP CA C 55.943 0.30 1 451 39 39 ASP CB C 39.761 0.30 1 452 39 39 ASP N N 113.756 0.30 1 453 40 40 GLN H H 7.794 0.03 1 454 40 40 GLN HA H 4.404 0.03 1 455 40 40 GLN HB2 H 1.858 0.03 2 456 40 40 GLN HB3 H 2.465 0.03 2 457 40 40 GLN HG2 H 2.412 0.03 2 458 40 40 GLN HG3 H 2.412 0.03 2 459 40 40 GLN HE21 H 7.771 0.03 2 460 40 40 GLN HE22 H 6.776 0.03 2 461 40 40 GLN C C 175.310 0.30 1 462 40 40 GLN CA C 55.696 0.30 1 463 40 40 GLN CB C 30.196 0.30 1 464 40 40 GLN CG C 34.414 0.30 1 465 40 40 GLN N N 116.733 0.30 1 466 40 40 GLN NE2 N 112.158 0.30 1 467 41 41 GLN H H 7.488 0.03 1 468 41 41 GLN HA H 4.070 0.03 1 469 41 41 GLN HB2 H 1.874 0.03 2 470 41 41 GLN HB3 H 1.874 0.03 2 471 41 41 GLN HG2 H 1.685 0.03 2 472 41 41 GLN HG3 H 2.535 0.03 2 473 41 41 GLN HE21 H 6.059 0.03 2 474 41 41 GLN HE22 H 6.541 0.03 2 475 41 41 GLN C C 175.796 0.30 1 476 41 41 GLN CA C 56.895 0.30 1 477 41 41 GLN CB C 31.396 0.30 1 478 41 41 GLN CG C 33.569 0.30 1 479 41 41 GLN N N 117.864 0.30 1 480 41 41 GLN NE2 N 104.440 0.30 1 481 42 42 ARG H H 8.973 0.03 1 482 42 42 ARG HA H 4.504 0.03 1 483 42 42 ARG HB2 H 1.602 0.03 2 484 42 42 ARG HB3 H 1.921 0.03 2 485 42 42 ARG HG2 H 1.514 0.03 2 486 42 42 ARG HG3 H 1.514 0.03 2 487 42 42 ARG HD2 H 3.033 0.03 2 488 42 42 ARG HD3 H 2.959 0.03 2 489 42 42 ARG HE H 6.729 0.03 1 490 42 42 ARG C C 174.185 0.30 1 491 42 42 ARG CA C 54.904 0.30 1 492 42 42 ARG CB C 30.672 0.30 1 493 42 42 ARG CG C 26.085 0.30 1 494 42 42 ARG CD C 44.350 0.30 1 495 42 42 ARG N N 123.178 0.30 1 496 42 42 ARG NE N 82.093 0.30 1 497 43 43 LEU H H 8.512 0.03 1 498 43 43 LEU HA H 5.382 0.03 1 499 43 43 LEU HB2 H 1.541 0.03 2 500 43 43 LEU HB3 H 1.146 0.03 2 501 43 43 LEU HG H 1.490 0.03 1 502 43 43 LEU HD1 H 0.793 0.03 2 503 43 43 LEU HD2 H 0.800 0.03 2 504 43 43 LEU C C 175.332 0.30 1 505 43 43 LEU CA C 52.905 0.30 1 506 43 43 LEU CB C 45.572 0.30 1 507 43 43 LEU CG C 27.345 0.30 1 508 43 43 LEU CD1 C 26.593 0.30 2 509 43 43 LEU CD2 C 24.164 0.30 2 510 43 43 LEU N N 122.254 0.30 1 511 44 44 ILE H H 9.218 0.03 1 512 44 44 ILE HA H 4.996 0.03 1 513 44 44 ILE HB H 1.747 0.03 1 514 44 44 ILE HG12 H 0.981 0.03 2 515 44 44 ILE HG13 H 1.352 0.03 2 516 44 44 ILE HG2 H 0.711 0.03 1 517 44 44 ILE HD1 H 0.673 0.03 1 518 44 44 ILE C C 175.324 0.30 1 519 44 44 ILE CA C 59.127 0.30 1 520 44 44 ILE CB C 41.354 0.30 1 521 44 44 ILE CG1 C 28.312 0.30 1 522 44 44 ILE CG2 C 17.746 0.30 1 523 44 44 ILE CD1 C 13.604 0.30 1 524 44 44 ILE N N 123.069 0.30 1 525 45 45 PHE H H 8.814 0.03 1 526 45 45 PHE HA H 5.221 0.03 1 527 45 45 PHE HB2 H 2.768 0.03 2 528 45 45 PHE HB3 H 3.095 0.03 2 529 45 45 PHE HD1 H 7.361 0.03 3 530 45 45 PHE HD2 H 7.361 0.03 3 531 45 45 PHE HE1 H 7.524 0.03 3 532 45 45 PHE HE2 H 7.524 0.03 3 533 45 45 PHE HZ H 7.465 0.03 1 534 45 45 PHE C C 174.310 0.30 1 535 45 45 PHE CA C 56.892 0.30 1 536 45 45 PHE CB C 43.904 0.30 1 537 45 45 PHE CD1 C 132.252 0.30 3 538 45 45 PHE CD2 C 132.252 0.30 3 539 45 45 PHE CE1 C 132.251 0.30 3 540 45 45 PHE CE2 C 132.251 0.30 3 541 45 45 PHE CZ C 130.108 0.30 1 542 45 45 PHE N N 124.936 0.30 1 543 46 46 ALA H H 8.783 0.03 1 544 46 46 ALA HA H 3.735 0.03 1 545 46 46 ALA HB H 0.888 0.03 1 546 46 46 ALA C C 177.420 0.30 1 547 46 46 ALA CA C 52.449 0.30 1 548 46 46 ALA CB C 16.643 0.30 1 549 46 46 ALA N N 132.399 0.30 1 550 47 47 GLY H H 8.415 0.03 1 551 47 47 GLY HA2 H 4.151 0.03 2 552 47 47 GLY HA3 H 3.334 0.03 2 553 47 47 GLY C C 173.491 0.30 1 554 47 47 GLY CA C 45.580 0.30 1 555 47 47 GLY N N 102.583 0.30 1 556 48 48 LYS H H 7.994 0.03 1 557 48 48 LYS HA H 4.632 0.03 1 558 48 48 LYS HB2 H 1.884 0.03 2 559 48 48 LYS HB3 H 1.884 0.03 2 560 48 48 LYS HG2 H 1.501 0.03 2 561 48 48 LYS HG3 H 1.501 0.03 2 562 48 48 LYS HD2 H 1.870 0.03 2 563 48 48 LYS HD3 H 1.870 0.03 2 564 48 48 LYS HE2 H 3.165 0.03 2 565 48 48 LYS HE3 H 3.165 0.03 2 566 48 48 LYS C C 174.574 0.30 1 567 48 48 LYS CA C 54.741 0.30 1 568 48 48 LYS CB C 35.026 0.30 1 569 48 48 LYS CG C 24.257 0.30 1 570 48 48 LYS CD C 29.130 0.30 1 571 48 48 LYS CE C 42.227 0.30 1 572 48 48 LYS N N 120.814 0.30 1 573 49 49 GLN H H 8.758 0.03 1 574 49 49 GLN HA H 4.594 0.03 1 575 49 49 GLN HB2 H 1.923 0.03 2 576 49 49 GLN HB3 H 2.009 0.03 2 577 49 49 GLN HG2 H 2.199 0.03 2 578 49 49 GLN HG3 H 2.199 0.03 2 579 49 49 GLN HE21 H 6.963 0.03 2 580 49 49 GLN HE22 H 7.674 0.03 2 581 49 49 GLN C C 175.643 0.30 1 582 49 49 GLN CA C 56.312 0.30 1 583 49 49 GLN CB C 29.248 0.30 1 584 49 49 GLN CG C 35.029 0.30 1 585 49 49 GLN N N 122.317 0.30 1 586 49 49 GLN NE2 N 112.559 0.30 1 587 50 50 LEU H H 8.634 0.03 1 588 50 50 LEU HA H 4.061 0.03 1 589 50 50 LEU HB2 H 1.044 0.03 2 590 50 50 LEU HB3 H 1.447 0.03 2 591 50 50 LEU HG H 1.478 0.03 1 592 50 50 LEU HD1 H -0.182 0.03 2 593 50 50 LEU HD2 H 0.504 0.03 2 594 50 50 LEU C C 176.726 0.30 1 595 50 50 LEU CA C 54.422 0.30 1 596 50 50 LEU CB C 41.753 0.30 1 597 50 50 LEU CG C 25.796 0.30 1 598 50 50 LEU CD1 C 19.252 0.30 2 599 50 50 LEU CD2 C 25.787 0.30 2 600 50 50 LEU N N 125.542 0.30 1 601 51 51 GLU H H 8.438 0.03 1 602 51 51 GLU HA H 4.485 0.03 1 603 51 51 GLU HB2 H 1.867 0.03 2 604 51 51 GLU HB3 H 2.220 0.03 2 605 51 51 GLU HG2 H 2.322 0.03 2 606 51 51 GLU HG3 H 2.415 0.03 2 607 51 51 GLU C C 175.490 0.30 1 608 51 51 GLU CA C 55.175 0.30 1 609 51 51 GLU CB C 32.033 0.30 1 610 51 51 GLU CG C 36.646 0.30 1 611 51 51 GLU N N 123.109 0.30 1 612 52 52 ASP H H 8.174 0.03 1 613 52 52 ASP HA H 4.379 0.03 1 614 52 52 ASP HB2 H 2.503 0.03 2 615 52 52 ASP HB3 H 2.608 0.03 2 616 52 52 ASP CA C 56.893 0.30 1 617 52 52 ASP CB C 40.879 0.30 1 618 52 52 ASP N N 120.620 0.30 1 619 53 53 GLY HA2 H 4.083 0.03 2 620 53 53 GLY HA3 H 3.938 0.03 2 621 53 53 GLY C C 174.754 0.30 1 622 53 53 GLY CA C 45.259 0.30 1 623 54 54 ARG H H 7.418 0.03 1 624 54 54 ARG HA H 4.693 0.03 1 625 54 54 ARG HB2 H 2.016 0.03 2 626 54 54 ARG HB3 H 2.196 0.03 2 627 54 54 ARG HG2 H 1.601 0.03 2 628 54 54 ARG HG3 H 1.796 0.03 2 629 54 54 ARG HD2 H 3.048 0.03 2 630 54 54 ARG HD3 H 3.121 0.03 2 631 54 54 ARG C C 175.254 0.30 1 632 54 54 ARG CA C 54.587 0.30 1 633 54 54 ARG CB C 32.662 0.30 1 634 54 54 ARG CG C 27.430 0.30 1 635 54 54 ARG CD C 42.959 0.30 1 636 54 54 ARG N N 119.355 0.30 1 637 55 55 THR H H 8.816 0.03 1 638 55 55 THR HA H 5.201 0.03 1 639 55 55 THR HB H 4.534 0.03 1 640 55 55 THR HG2 H 1.119 0.03 1 641 55 55 THR C C 176.407 0.30 1 642 55 55 THR CA C 59.769 0.30 1 643 55 55 THR CB C 72.414 0.30 1 644 55 55 THR CG2 C 22.306 0.30 1 645 55 55 THR N N 108.799 0.30 1 646 56 56 LEU H H 8.159 0.03 1 647 56 56 LEU HA H 4.048 0.03 1 648 56 56 LEU HB2 H 1.193 0.03 2 649 56 56 LEU HB3 H 2.095 0.03 2 650 56 56 LEU HG H 1.723 0.03 1 651 56 56 LEU HD1 H 0.739 0.03 2 652 56 56 LEU HD2 H 0.605 0.03 2 653 56 56 LEU C C 180.752 0.30 1 654 56 56 LEU CA C 58.892 0.30 1 655 56 56 LEU CB C 40.244 0.30 1 656 56 56 LEU CG C 26.569 0.30 1 657 56 56 LEU CD1 C 26.766 0.30 2 658 56 56 LEU CD2 C 23.125 0.30 2 659 56 56 LEU N N 118.085 0.30 1 660 57 57 SER H H 8.338 0.03 1 661 57 57 SER HA H 4.230 0.03 1 662 57 57 SER HB2 H 3.742 0.03 2 663 57 57 SER HB3 H 3.835 0.03 2 664 57 57 SER C C 178.281 0.30 1 665 57 57 SER CA C 61.049 0.30 1 666 57 57 SER CB C 62.550 0.30 1 667 57 57 SER N N 113.262 0.30 1 668 58 58 ASP H H 7.961 0.03 1 669 58 58 ASP HA H 4.271 0.03 1 670 58 58 ASP HB2 H 2.270 0.03 2 671 58 58 ASP HB3 H 2.999 0.03 2 672 58 58 ASP C C 177.462 0.30 1 673 58 58 ASP CA C 57.377 0.30 1 674 58 58 ASP CB C 40.396 0.30 1 675 58 58 ASP N N 124.699 0.30 1 676 59 59 TYR H H 7.237 0.03 1 677 59 59 TYR HA H 4.677 0.03 1 678 59 59 TYR HB2 H 3.492 0.03 2 679 59 59 TYR HB3 H 2.535 0.03 2 680 59 59 TYR HD1 H 7.243 0.03 3 681 59 59 TYR HD2 H 7.243 0.03 3 682 59 59 TYR HE1 H 6.872 0.03 3 683 59 59 TYR HE2 H 6.872 0.03 3 684 59 59 TYR C C 174.643 0.30 1 685 59 59 TYR CA C 58.251 0.30 1 686 59 59 TYR CB C 40.243 0.30 1 687 59 59 TYR CD1 C 133.624 0.30 3 688 59 59 TYR CD2 C 133.672 0.30 3 689 59 59 TYR CE1 C 118.587 0.30 3 690 59 59 TYR CE2 C 118.587 0.30 3 691 59 59 TYR N N 115.800 0.30 1 692 60 60 ASN H H 8.154 0.03 1 693 60 60 ASN HA H 4.348 0.03 1 694 60 60 ASN HB2 H 2.811 0.03 2 695 60 60 ASN HB3 H 3.327 0.03 2 696 60 60 ASN HD21 H 7.597 0.03 2 697 60 60 ASN HD22 H 6.853 0.03 2 698 60 60 ASN C C 174.185 0.30 1 699 60 60 ASN CA C 54.259 0.30 1 700 60 60 ASN CB C 37.208 0.30 1 701 60 60 ASN N N 115.958 0.30 1 702 60 60 ASN ND2 N 111.670 0.30 1 703 61 61 ILE H H 7.314 0.03 1 704 61 61 ILE HA H 3.342 0.03 1 705 61 61 ILE HB H 1.364 0.03 1 706 61 61 ILE HG12 H 1.092 0.03 2 707 61 61 ILE HG13 H -0.590 0.03 2 708 61 61 ILE HG2 H 0.449 0.03 1 709 61 61 ILE HD1 H 0.437 0.03 1 710 61 61 ILE C C 174.352 0.30 1 711 61 61 ILE CA C 62.637 0.30 1 712 61 61 ILE CB C 36.891 0.30 1 713 61 61 ILE CG1 C 28.430 0.30 1 714 61 61 ILE CG2 C 17.426 0.30 1 715 61 61 ILE CD1 C 14.838 0.30 1 716 61 61 ILE N N 119.184 0.30 1 717 62 62 GLN H H 7.607 0.03 1 718 62 62 GLN HA H 4.470 0.03 1 719 62 62 GLN HB2 H 1.883 0.03 2 720 62 62 GLN HB3 H 1.883 0.03 2 721 62 62 GLN HG2 H 2.272 0.03 2 722 62 62 GLN HG3 H 2.338 0.03 2 723 62 62 GLN HE21 H 7.334 0.03 2 724 62 62 GLN HE22 H 6.850 0.03 2 725 62 62 GLN C C 175.449 0.30 1 726 62 62 GLN CA C 53.624 0.30 1 727 62 62 GLN CB C 31.713 0.30 1 728 62 62 GLN CG C 33.315 0.30 1 729 62 62 GLN N N 124.983 0.30 1 730 62 62 GLN NE2 N 112.419 0.30 1 731 63 63 LYS H H 8.462 0.03 1 732 63 63 LYS HA H 3.938 0.03 1 733 63 63 LYS HB2 H 2.020 0.03 2 734 63 63 LYS HB3 H 1.870 0.03 2 735 63 63 LYS HG2 H 1.482 0.03 2 736 63 63 LYS HG3 H 1.482 0.03 2 737 63 63 LYS HD2 H 1.608 0.03 2 738 63 63 LYS HD3 H 1.708 0.03 2 739 63 63 LYS HE2 H 3.019 0.03 2 740 63 63 LYS HE3 H 3.019 0.03 2 741 63 63 LYS C C 175.823 0.30 1 742 63 63 LYS CA C 58.096 0.30 1 743 63 63 LYS CB C 32.753 0.30 1 744 63 63 LYS CG C 23.930 0.30 1 745 63 63 LYS CD C 29.810 0.30 1 746 63 63 LYS CE C 42.059 0.30 1 747 63 63 LYS N N 120.619 0.30 1 748 64 64 GLU H H 9.316 0.03 1 749 64 64 GLU HA H 3.336 0.03 1 750 64 64 GLU HB2 H 2.396 0.03 2 751 64 64 GLU HB3 H 2.530 0.03 2 752 64 64 GLU HG2 H 2.242 0.03 2 753 64 64 GLU HG3 H 2.242 0.03 2 754 64 64 GLU C C 175.157 0.30 1 755 64 64 GLU CA C 58.168 0.30 1 756 64 64 GLU CB C 25.976 0.30 1 757 64 64 GLU CG C 37.389 0.30 1 758 64 64 GLU N N 114.975 0.30 1 759 65 65 SER H H 7.699 0.03 1 760 65 65 SER HA H 4.612 0.03 1 761 65 65 SER HB2 H 3.628 0.03 2 762 65 65 SER HB3 H 3.904 0.03 2 763 65 65 SER HG H 6.000 0.03 1 764 65 65 SER C C 171.867 0.30 1 765 65 65 SER CA C 61.125 0.30 1 766 65 65 SER CB C 65.022 0.30 1 767 65 65 SER N N 115.120 0.30 1 768 66 66 THR H H 8.676 0.03 1 769 66 66 THR HA H 5.320 0.03 1 770 66 66 THR HB H 4.011 0.03 1 771 66 66 THR HG2 H 0.915 0.03 1 772 66 66 THR C C 173.602 0.30 1 773 66 66 THR CA C 62.552 0.30 1 774 66 66 THR CB C 70.292 0.30 1 775 66 66 THR CG2 C 21.525 0.30 1 776 66 66 THR N N 117.479 0.30 1 777 67 67 LEU H H 9.385 0.03 1 778 67 67 LEU HA H 5.085 0.03 1 779 67 67 LEU HB2 H 1.569 0.03 2 780 67 67 LEU HB3 H 1.694 0.03 2 781 67 67 LEU HG H 1.780 0.03 1 782 67 67 LEU HD1 H 0.675 0.03 2 783 67 67 LEU HD2 H 0.628 0.03 2 784 67 67 LEU C C 174.990 0.30 1 785 67 67 LEU CA C 54.023 0.30 1 786 67 67 LEU CB C 44.627 0.30 1 787 67 67 LEU CG C 29.750 0.30 1 788 67 67 LEU CD1 C 24.792 0.30 2 789 67 67 LEU CD2 C 25.775 0.30 2 790 67 67 LEU N N 128.183 0.30 1 791 68 68 HIS H H 9.138 0.03 1 792 68 68 HIS HA H 5.258 0.03 1 793 68 68 HIS HB2 H 2.648 0.03 2 794 68 68 HIS HB3 H 2.827 0.03 2 795 68 68 HIS HD2 H 6.683 0.03 1 796 68 68 HIS HE1 H 7.616 0.03 1 797 68 68 HIS C C 174.019 0.30 1 798 68 68 HIS CA C 56.332 0.30 1 799 68 68 HIS CB C 32.496 0.30 1 800 68 68 HIS CD2 C 116.825 0.30 1 801 68 68 HIS CE1 C 138.680 0.30 1 802 68 68 HIS N N 118.761 0.30 1 803 69 69 LEU H H 8.768 0.03 1 804 69 69 LEU HA H 5.245 0.03 1 805 69 69 LEU HB2 H 1.550 0.03 2 806 69 69 LEU HB3 H 1.061 0.03 2 807 69 69 LEU HG H 1.308 0.03 1 808 69 69 LEU HD1 H 0.715 0.03 2 809 69 69 LEU HD2 H 0.830 0.03 2 810 69 69 LEU C C 175.032 0.30 1 811 69 69 LEU CA C 52.981 0.30 1 812 69 69 LEU CB C 45.653 0.30 1 813 69 69 LEU CG C 27.805 0.30 1 814 69 69 LEU CD1 C 26.187 0.30 2 815 69 69 LEU CD2 C 23.539 0.30 2 816 69 69 LEU N N 123.707 0.30 1 817 70 70 VAL H H 9.014 0.03 1 818 70 70 VAL HA H 4.291 0.03 1 819 70 70 VAL HB H 1.903 0.03 1 820 70 70 VAL HG1 H 0.970 0.03 2 821 70 70 VAL HG2 H 0.856 0.03 2 822 70 70 VAL C C 173.921 0.30 1 823 70 70 VAL CA C 60.365 0.30 1 824 70 70 VAL CB C 34.726 0.30 1 825 70 70 VAL CG1 C 22.192 0.30 2 826 70 70 VAL CG2 C 22.055 0.30 2 827 70 70 VAL N N 126.568 0.30 1 828 71 71 LEU H H 8.373 0.03 1 829 71 71 LEU HA H 5.085 0.03 1 830 71 71 LEU HB2 H 1.536 0.03 2 831 71 71 LEU HB3 H 1.763 0.03 2 832 71 71 LEU HG H 1.708 0.03 1 833 71 71 LEU HD1 H 0.978 0.03 2 834 71 71 LEU HD2 H 0.843 0.03 2 835 71 71 LEU C C 177.906 0.30 1 836 71 71 LEU CA C 54.149 0.30 1 837 71 71 LEU CB C 42.418 0.30 1 838 71 71 LEU CG C 27.811 0.30 1 839 71 71 LEU CD1 C 25.156 0.30 2 840 71 71 LEU CD2 C 24.094 0.30 2 841 71 71 LEU N N 125.141 0.30 1 842 72 72 ARG HA H 4.312 0.03 1 843 72 72 ARG HB2 H 1.795 0.03 2 844 72 72 ARG HB3 H 1.876 0.03 2 845 72 72 ARG HG2 H 1.626 0.03 2 846 72 72 ARG HG3 H 1.626 0.03 2 847 72 72 ARG HD2 H 3.182 0.03 2 848 72 72 ARG HD3 H 3.182 0.03 2 849 72 72 ARG C C 175.560 0.30 1 850 72 72 ARG CA C 56.412 0.30 1 851 72 72 ARG CB C 31.474 0.30 1 852 72 72 ARG CG C 27.109 0.30 1 853 72 72 ARG CD C 43.309 0.30 1 854 73 73 LEU H H 8.426 0.03 1 855 73 73 LEU HA H 4.344 0.03 1 856 73 73 LEU HB2 H 1.538 0.03 2 857 73 73 LEU HB3 H 1.634 0.03 2 858 73 73 LEU HG H 1.621 0.03 1 859 73 73 LEU HD1 H 0.867 0.03 2 860 73 73 LEU HD2 H 0.835 0.03 2 861 73 73 LEU C C 177.392 0.30 1 862 73 73 LEU CA C 55.147 0.30 1 863 73 73 LEU CB C 42.546 0.30 1 864 73 73 LEU CG C 27.159 0.30 1 865 73 73 LEU CD1 C 25.282 0.30 2 866 73 73 LEU CD2 C 23.290 0.30 2 867 73 73 LEU N N 123.983 0.30 1 868 74 74 ARG H H 8.341 0.03 1 869 74 74 ARG HA H 4.300 0.03 1 870 74 74 ARG HB2 H 1.580 0.03 2 871 74 74 ARG HB3 H 1.794 0.03 2 872 74 74 ARG HG2 H 1.580 0.03 2 873 74 74 ARG HG3 H 1.580 0.03 2 874 74 74 ARG HD2 H 3.182 0.03 2 875 74 74 ARG HD3 H 3.182 0.03 2 876 74 74 ARG C C 176.768 0.30 1 877 74 74 ARG CA C 56.411 0.30 1 878 74 74 ARG CB C 31.073 0.30 1 879 74 74 ARG CG C 27.740 0.30 1 880 74 74 ARG CD C 43.330 0.30 1 881 74 74 ARG N N 121.038 0.30 1 882 75 75 GLY H H 8.485 0.03 1 883 75 75 GLY HA2 H 3.959 0.03 2 884 75 75 GLY HA3 H 3.754 0.03 2 885 75 75 GLY C C 173.602 0.30 1 886 75 75 GLY CA C 45.257 0.30 1 887 75 75 GLY N N 110.886 0.30 1 888 76 76 GLY H H 7.957 0.03 1 889 76 76 GLY HA2 H 3.724 0.03 2 890 76 76 GLY HA3 H 3.782 0.03 2 891 76 76 GLY CA C 45.496 0.30 1 892 76 76 GLY N N 115.134 0.30 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D (H)CC(CO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' '13C,15N-filetered/edited NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 932 4 PRO HA H 4.495 0.03 1 2 932 4 PRO HB2 H 1.912 0.03 2 3 932 4 PRO HB3 H 2.302 0.03 2 4 932 4 PRO HG2 H 2.043 0.03 2 5 932 4 PRO HG3 H 2.043 0.03 2 6 932 4 PRO HD2 H 3.708 0.03 2 7 932 4 PRO HD3 H 3.852 0.03 2 8 932 4 PRO C C 176.526 0.30 1 9 932 4 PRO CA C 63.003 0.30 1 10 932 4 PRO CB C 32.073 0.30 1 11 932 4 PRO CG C 27.464 0.30 1 12 932 4 PRO CD C 50.773 0.30 1 13 933 5 SER H H 8.493 0.03 1 14 933 5 SER HA H 4.775 0.03 1 15 933 5 SER HB2 H 3.920 0.03 2 16 933 5 SER HB3 H 3.920 0.03 2 17 933 5 SER CA C 56.522 0.30 1 18 933 5 SER CB C 63.685 0.30 1 19 933 5 SER N N 117.727 0.30 1 20 934 6 PRO HA H 4.475 0.03 1 21 934 6 PRO HB2 H 1.975 0.03 2 22 934 6 PRO HB3 H 2.344 0.03 2 23 934 6 PRO HG2 H 2.048 0.03 2 24 934 6 PRO HG3 H 2.048 0.03 2 25 934 6 PRO HD2 H 3.703 0.03 2 26 934 6 PRO HD3 H 3.918 0.03 2 27 934 6 PRO C C 177.190 0.30 1 28 934 6 PRO CA C 63.798 0.30 1 29 934 6 PRO CB C 32.078 0.30 1 30 934 6 PRO CG C 27.464 0.30 1 31 934 6 PRO CD C 50.921 0.30 1 32 935 7 SER H H 8.358 0.03 1 33 935 7 SER HA H 4.447 0.03 1 34 935 7 SER HB2 H 3.909 0.03 2 35 935 7 SER HB3 H 3.909 0.03 2 36 935 7 SER C C 177.190 0.30 1 37 935 7 SER CA C 58.796 0.30 1 38 935 7 SER CB C 63.798 0.30 1 39 935 7 SER N N 115.204 0.30 1 40 936 8 GLN H H 8.346 0.03 1 41 936 8 GLN HA H 4.274 0.03 1 42 936 8 GLN HB2 H 2.028 0.03 2 43 936 8 GLN HB3 H 2.028 0.03 2 44 936 8 GLN HG2 H 2.401 0.03 2 45 936 8 GLN HG3 H 2.401 0.03 2 46 936 8 GLN C C 176.592 0.30 1 47 936 8 GLN CA C 56.361 0.30 1 48 936 8 GLN CB C 29.479 0.30 1 49 936 8 GLN CG C 33.828 0.30 1 50 936 8 GLN N N 121.844 0.30 1 51 937 9 LEU H H 8.120 0.03 1 52 937 9 LEU HA H 4.284 0.03 1 53 937 9 LEU HB2 H 1.645 0.03 2 54 937 9 LEU HB3 H 1.514 0.03 2 55 937 9 LEU HG H 1.457 0.03 1 56 937 9 LEU HD1 H 0.905 0.03 2 57 937 9 LEU HD2 H 0.877 0.03 2 58 937 9 LEU C C 175.941 0.30 1 59 937 9 LEU CA C 55.317 0.30 1 60 937 9 LEU CB C 42.368 0.30 1 61 937 9 LEU CG C 26.946 0.30 1 62 937 9 LEU CD1 C 24.801 0.30 2 63 937 9 LEU CD2 C 23.469 0.30 2 64 937 9 LEU N N 122.423 0.30 1 65 938 10 ASP H H 8.290 0.03 1 66 938 10 ASP HA H 4.599 0.03 1 67 938 10 ASP HB2 H 2.649 0.03 2 68 938 10 ASP HB3 H 2.754 0.03 2 69 938 10 ASP C C 176.605 0.30 1 70 938 10 ASP CA C 54.567 0.30 1 71 938 10 ASP CB C 41.209 0.30 1 72 938 10 ASP N N 121.256 0.30 1 73 939 11 GLN HA H 4.210 0.03 1 74 939 11 GLN HB2 H 2.165 0.03 2 75 939 11 GLN HB3 H 2.081 0.03 2 76 939 11 GLN HG2 H 2.401 0.03 2 77 939 11 GLN HG3 H 2.401 0.03 2 78 939 11 GLN C C 176.605 0.30 1 79 939 11 GLN CA C 57.091 0.30 1 80 939 11 GLN CB C 29.066 0.30 1 81 939 11 GLN CG C 33.902 0.30 1 82 940 12 SER H H 8.470 0.03 1 83 940 12 SER HA H 4.357 0.03 1 84 940 12 SER HB2 H 3.916 0.03 2 85 940 12 SER HB3 H 3.916 0.03 2 86 940 12 SER C C 176.605 0.30 1 87 940 12 SER CA C 59.933 0.30 1 88 940 12 SER CB C 63.500 0.30 1 89 940 12 SER N N 116.175 0.30 1 90 941 13 VAL H H 7.847 0.03 1 91 941 13 VAL HA H 4.042 0.03 1 92 941 13 VAL HB H 2.156 0.03 1 93 941 13 VAL HG1 H 0.951 0.03 2 94 941 13 VAL HG2 H 0.951 0.03 2 95 941 13 VAL C C 176.716 0.30 1 96 941 13 VAL CA C 63.418 0.30 1 97 941 13 VAL CB C 32.237 0.30 1 98 941 13 VAL CG1 C 21.249 0.30 2 99 941 13 VAL CG2 C 21.249 0.30 2 100 941 13 VAL N N 121.731 0.30 1 101 942 14 LEU H H 7.989 0.03 1 102 942 14 LEU HA H 4.211 0.03 1 103 942 14 LEU HB2 H 1.670 0.03 2 104 942 14 LEU HB3 H 1.564 0.03 2 105 942 14 LEU HG H 1.629 0.03 1 106 942 14 LEU HD1 H 0.934 0.03 2 107 942 14 LEU HD2 H 0.874 0.03 2 108 942 14 LEU C C 178.006 0.30 1 109 942 14 LEU CA C 56.228 0.30 1 110 942 14 LEU CB C 42.206 0.30 1 111 942 14 LEU CG C 27.020 0.30 1 112 942 14 LEU CD1 C 25.245 0.30 2 113 942 14 LEU CD2 C 23.691 0.30 2 114 942 14 LEU N N 122.951 0.30 1 115 943 15 GLU H H 8.165 0.03 1 116 943 15 GLU HA H 4.179 0.03 1 117 943 15 GLU HB2 H 1.960 0.03 2 118 943 15 GLU HB3 H 2.047 0.03 2 119 943 15 GLU HG2 H 2.327 0.03 2 120 943 15 GLU HG3 H 2.327 0.03 2 121 943 15 GLU C C 176.062 0.30 1 122 943 15 GLU CA C 57.026 0.30 1 123 943 15 GLU CB C 30.110 0.30 1 124 943 15 GLU CG C 36.566 0.30 1 125 943 15 GLU N N 119.132 0.30 1 126 944 16 ALA H H 7.879 0.03 1 127 944 16 ALA HA H 4.306 0.03 1 128 944 16 ALA HB H 1.375 0.03 1 129 944 16 ALA C C 177.423 0.30 1 130 944 16 ALA CA C 52.174 0.30 1 131 944 16 ALA CB C 19.344 0.30 1 132 944 16 ALA N N 123.144 0.30 1 133 945 17 LEU H H 7.931 0.03 1 134 945 17 LEU HA H 4.580 0.03 1 135 945 17 LEU HB2 H 1.448 0.03 2 136 945 17 LEU HB3 H 1.659 0.03 2 137 945 17 LEU HG H 1.695 0.03 1 138 945 17 LEU HD1 H 0.934 0.03 2 139 945 17 LEU HD2 H 0.879 0.03 2 140 945 17 LEU C C 174.736 0.30 1 141 945 17 LEU CA C 52.972 0.30 1 142 945 17 LEU CB C 41.873 0.30 1 143 945 17 LEU CG C 27.021 0.30 1 144 945 17 LEU CD1 C 25.023 0.30 2 145 945 17 LEU CD2 C 23.543 0.30 2 146 945 17 LEU N N 121.869 0.30 1 147 947 19 PRO HA H 4.263 0.03 1 148 947 19 PRO HB2 H 1.965 0.03 2 149 947 19 PRO HB3 H 2.355 0.03 2 150 947 19 PRO HG2 H 2.083 0.03 2 151 947 19 PRO HG3 H 2.083 0.03 2 152 947 19 PRO HD2 H 3.868 0.03 2 153 947 19 PRO HD3 H 3.763 0.03 2 154 947 19 PRO C C 177.237 0.30 1 155 947 19 PRO CA C 64.481 0.30 1 156 947 19 PRO CB C 32.073 0.30 1 157 947 19 PRO CG C 27.464 0.30 1 158 947 19 PRO CD C 50.773 0.30 1 159 948 20 ASP H H 8.584 0.03 1 160 948 20 ASP HA H 4.517 0.03 1 161 948 20 ASP HB2 H 2.746 0.03 2 162 948 20 ASP HB3 H 2.632 0.03 2 163 948 20 ASP C C 177.095 0.30 1 164 948 20 ASP CA C 54.987 0.30 1 165 948 20 ASP CB C 40.364 0.30 1 166 948 20 ASP N N 117.593 0.30 1 167 949 21 LEU H H 7.912 0.03 1 168 949 21 LEU HA H 4.380 0.03 1 169 949 21 LEU HB2 H 1.652 0.03 2 170 949 21 LEU HB3 H 1.652 0.03 2 171 949 21 LEU HG H 1.644 0.03 1 172 949 21 LEU HD1 H 0.934 0.03 2 173 949 21 LEU HD2 H 0.879 0.03 2 174 949 21 LEU C C 177.741 0.30 1 175 949 21 LEU CA C 55.763 0.30 1 176 949 21 LEU CB C 42.206 0.30 1 177 949 21 LEU CG C 26.946 0.30 1 178 949 21 LEU CD1 C 24.949 0.30 2 179 949 21 LEU CD2 C 23.617 0.30 2 180 949 21 LEU N N 122.183 0.30 1 181 950 22 ARG H H 8.201 0.03 1 182 950 22 ARG HA H 4.137 0.03 1 183 950 22 ARG HB2 H 1.828 0.03 2 184 950 22 ARG HB3 H 1.883 0.03 2 185 950 22 ARG HG2 H 1.651 0.03 2 186 950 22 ARG HG3 H 1.651 0.03 2 187 950 22 ARG HD2 H 3.208 0.03 2 188 950 22 ARG HD3 H 3.208 0.03 2 189 950 22 ARG C C 177.000 0.30 1 190 950 22 ARG CA C 57.773 0.30 1 191 950 22 ARG CB C 30.430 0.30 1 192 950 22 ARG CG C 27.272 0.30 1 193 950 22 ARG CD C 42.264 0.30 1 194 950 22 ARG N N 120.444 0.30 1 195 951 23 GLU H H 8.235 0.03 1 196 951 23 GLU HA H 4.211 0.03 1 197 951 23 GLU HB2 H 1.417 0.03 2 198 951 23 GLU HB3 H 2.039 0.03 2 199 951 23 GLU HG2 H 2.300 0.03 2 200 951 23 GLU HG3 H 2.300 0.03 2 201 951 23 GLU C C 175.107 0.30 1 202 951 23 GLU CA C 56.602 0.30 1 203 951 23 GLU CB C 30.032 0.30 1 204 951 23 GLU CG C 36.344 0.30 1 205 951 23 GLU N N 119.363 0.30 1 206 952 24 GLN H H 8.059 0.03 1 207 952 24 GLN HA H 4.225 0.03 1 208 952 24 GLN HB2 H 2.054 0.03 2 209 952 24 GLN HB3 H 2.152 0.03 2 210 952 24 GLN HG2 H 2.401 0.03 2 211 952 24 GLN HG3 H 2.401 0.03 2 212 952 24 GLN C C 176.787 0.30 1 213 952 24 GLN CA C 56.923 0.30 1 214 952 24 GLN CB C 29.427 0.30 1 215 952 24 GLN CG C 33.754 0.30 1 216 952 24 GLN N N 119.979 0.30 1 217 953 25 VAL H H 8.118 0.03 1 218 953 25 VAL HA H 3.986 0.03 1 219 953 25 VAL HB H 2.145 0.03 1 220 953 25 VAL HG1 H 0.932 0.03 2 221 953 25 VAL HG2 H 0.932 0.03 2 222 953 25 VAL C C 176.763 0.30 1 223 953 25 VAL CA C 63.721 0.30 1 224 953 25 VAL CB C 32.135 0.30 1 225 953 25 VAL CG1 C 21.175 0.30 2 226 953 25 VAL CG2 C 21.175 0.30 2 227 953 25 VAL N N 120.345 0.30 1 228 954 26 GLU H H 8.452 0.03 1 229 954 26 GLU HA H 4.577 0.03 1 230 954 26 GLU HB2 H 1.899 0.03 2 231 954 26 GLU HB3 H 2.065 0.03 2 232 954 26 GLU HG2 H 2.377 0.03 2 233 954 26 GLU HG3 H 2.377 0.03 2 234 954 26 GLU C C 174.850 0.30 1 235 954 26 GLU CA C 54.529 0.30 1 236 954 26 GLU CB C 29.734 0.30 1 237 954 26 GLU CG C 33.902 0.30 1 238 954 26 GLU N N 122.521 0.30 1 239 955 27 GLN H H 8.423 0.03 1 240 955 27 GLN HA H 4.327 0.03 1 241 955 27 GLN HB2 H 2.059 0.03 2 242 955 27 GLN HB3 H 2.162 0.03 2 243 955 27 GLN HG2 H 2.401 0.03 2 244 955 27 GLN HG3 H 2.401 0.03 2 245 955 27 GLN C C 176.542 0.30 1 246 955 27 GLN CA C 56.828 0.30 1 247 955 27 GLN CB C 29.246 0.30 1 248 955 27 GLN CG C 33.902 0.30 1 249 955 27 GLN N N 123.706 0.30 1 250 956 28 VAL H H 8.160 0.03 1 251 956 28 VAL HA H 4.074 0.03 1 252 956 28 VAL HB H 2.137 0.03 1 253 956 28 VAL HG1 H 0.958 0.03 2 254 956 28 VAL HG2 H 0.958 0.03 2 255 956 28 VAL C C 176.700 0.30 1 256 956 28 VAL CA C 63.457 0.30 1 257 956 28 VAL CB C 32.647 0.30 1 258 956 28 VAL CG1 C 21.249 0.30 2 259 956 28 VAL CG2 C 21.249 0.30 2 260 956 28 VAL N N 120.681 0.30 1 261 957 29 CYS H H 8.182 0.03 1 262 957 29 CYS HA H 4.666 0.03 1 263 957 29 CYS HB2 H 3.019 0.03 2 264 957 29 CYS HB3 H 3.220 0.03 2 265 957 29 CYS C C 174.676 0.30 1 266 957 29 CYS CA C 55.840 0.30 1 267 957 29 CYS CB C 40.492 0.30 1 268 957 29 CYS N N 120.845 0.30 1 269 958 30 ALA H H 8.269 0.03 1 270 958 30 ALA HA H 4.346 0.03 1 271 958 30 ALA HB H 1.428 0.03 1 272 958 30 ALA C C 178.006 0.30 1 273 958 30 ALA CA C 53.111 0.30 1 274 958 30 ALA CB C 19.174 0.30 1 275 958 30 ALA N N 125.403 0.30 1 276 959 31 VAL H H 8.025 0.03 1 277 959 31 VAL HA H 4.063 0.03 1 278 959 31 VAL HB H 2.132 0.03 1 279 959 31 VAL HG1 H 0.958 0.03 2 280 959 31 VAL HG2 H 0.958 0.03 2 281 959 31 VAL C C 176.522 0.30 1 282 959 31 VAL CA C 63.057 0.30 1 283 959 31 VAL CB C 32.569 0.30 1 284 959 31 VAL CG1 C 21.249 0.30 2 285 959 31 VAL CG2 C 21.249 0.30 2 286 959 31 VAL N N 119.076 0.30 1 287 960 32 GLN H H 8.391 0.03 1 288 960 32 GLN HA H 4.306 0.03 1 289 960 32 GLN HB2 H 2.159 0.03 2 290 960 32 GLN HB3 H 2.037 0.03 2 291 960 32 GLN HG2 H 2.401 0.03 2 292 960 32 GLN HG3 H 2.401 0.03 2 293 960 32 GLN C C 176.522 0.30 1 294 960 32 GLN CA C 56.295 0.30 1 295 960 32 GLN CB C 29.293 0.30 1 296 960 32 GLN CG C 33.902 0.30 1 297 960 32 GLN N N 123.253 0.30 1 298 961 33 GLN H H 8.448 0.03 1 299 961 33 GLN HA H 4.295 0.03 1 300 961 33 GLN HB2 H 2.159 0.03 2 301 961 33 GLN HB3 H 2.037 0.03 2 302 961 33 GLN HG2 H 2.401 0.03 2 303 961 33 GLN HG3 H 2.401 0.03 2 304 961 33 GLN C C 176.036 0.30 1 305 961 33 GLN CA C 56.295 0.30 1 306 961 33 GLN CB C 29.463 0.30 1 307 961 33 GLN CG C 33.902 0.30 1 308 961 33 GLN N N 121.412 0.30 1 309 962 34 ALA H H 8.326 0.03 1 310 962 34 ALA HA H 4.294 0.03 1 311 962 34 ALA HB H 1.428 0.03 1 312 962 34 ALA C C 177.901 0.30 1 313 962 34 ALA CA C 52.941 0.30 1 314 962 34 ALA CB C 19.345 0.30 1 315 962 34 ALA N N 124.797 0.30 1 316 963 35 GLU H H 8.398 0.03 1 317 963 35 GLU HA H 4.294 0.03 1 318 963 35 GLU HB2 H 2.058 0.03 2 319 963 35 GLU HB3 H 1.957 0.03 2 320 963 35 GLU HG2 H 2.282 0.03 2 321 963 35 GLU HG3 H 2.282 0.03 2 322 963 35 GLU C C 176.610 0.30 1 323 963 35 GLU CA C 56.693 0.30 1 324 963 35 GLU CB C 30.316 0.30 1 325 963 35 GLU CG C 36.344 0.30 1 326 963 35 GLU N N 119.587 0.30 1 327 964 36 SER H H 8.291 0.03 1 328 964 36 SER HA H 4.475 0.03 1 329 964 36 SER HB2 H 3.861 0.03 2 330 964 36 SER HB3 H 3.861 0.03 2 331 964 36 SER C C 174.489 0.30 1 332 964 36 SER CA C 58.512 0.30 1 333 964 36 SER CB C 63.912 0.30 1 334 964 36 SER N N 116.450 0.30 1 335 965 37 HIS H H 8.594 0.03 1 336 965 37 HIS HA H 4.706 0.03 1 337 965 37 HIS HB2 H 3.285 0.03 2 338 965 37 HIS HB3 H 3.164 0.03 2 339 965 37 HIS C C 175.489 0.30 1 340 965 37 HIS CA C 56.095 0.30 1 341 965 37 HIS CB C 29.918 0.30 1 342 965 37 HIS N N 118.499 0.30 1 343 966 38 GLY H H 8.453 0.03 1 344 966 38 GLY HA2 H 3.952 0.03 2 345 966 38 GLY HA3 H 3.952 0.03 2 346 966 38 GLY C C 173.933 0.30 1 347 966 38 GLY CA C 45.551 0.30 1 348 966 38 GLY N N 109.871 0.30 1 349 967 39 ASP H H 8.353 0.03 1 350 967 39 ASP HA H 4.612 0.03 1 351 967 39 ASP HB2 H 2.745 0.03 2 352 967 39 ASP HB3 H 2.671 0.03 2 353 967 39 ASP C C 176.431 0.30 1 354 967 39 ASP CA C 54.436 0.30 1 355 967 39 ASP CB C 41.231 0.30 1 356 967 39 ASP N N 120.652 0.30 1 357 968 40 LYS H H 8.284 0.03 1 358 968 40 LYS HA H 4.306 0.03 1 359 968 40 LYS HB2 H 1.738 0.03 2 360 968 40 LYS HB3 H 1.829 0.03 2 361 968 40 LYS HG2 H 1.437 0.03 2 362 968 40 LYS HG3 H 1.437 0.03 2 363 968 40 LYS HD2 H 1.701 0.03 2 364 968 40 LYS HD3 H 1.701 0.03 2 365 968 40 LYS HE2 H 3.015 0.03 2 366 968 40 LYS HE3 H 3.015 0.03 2 367 968 40 LYS C C 176.637 0.30 1 368 968 40 LYS CA C 56.453 0.30 1 369 968 40 LYS CB C 32.704 0.30 1 370 968 40 LYS CG C 24.801 0.30 1 371 968 40 LYS CD C 29.166 0.30 1 372 968 40 LYS CE C 42.264 0.30 1 373 968 40 LYS N N 121.493 0.30 1 374 969 41 LYS H H 8.346 0.03 1 375 969 41 LYS HA H 4.263 0.03 1 376 969 41 LYS HB2 H 1.738 0.03 2 377 969 41 LYS HB3 H 1.817 0.03 2 378 969 41 LYS HG2 H 1.437 0.03 2 379 969 41 LYS HG3 H 1.437 0.03 2 380 969 41 LYS HD2 H 1.701 0.03 2 381 969 41 LYS HD3 H 1.701 0.03 2 382 969 41 LYS HE2 H 3.015 0.03 2 383 969 41 LYS HE3 H 3.015 0.03 2 384 969 41 LYS C C 176.628 0.30 1 385 969 41 LYS CA C 56.608 0.30 1 386 969 41 LYS CB C 32.835 0.30 1 387 969 41 LYS CG C 24.801 0.30 1 388 969 41 LYS CD C 29.018 0.30 1 389 969 41 LYS CE C 42.264 0.30 1 390 969 41 LYS N N 121.844 0.30 1 391 970 42 LYS H H 8.266 0.03 1 392 970 42 LYS HA H 4.327 0.03 1 393 970 42 LYS HB2 H 1.836 0.03 2 394 970 42 LYS HB3 H 1.738 0.03 2 395 970 42 LYS HG2 H 1.437 0.03 2 396 970 42 LYS HG3 H 1.437 0.03 2 397 970 42 LYS HD2 H 1.701 0.03 2 398 970 42 LYS HD3 H 1.701 0.03 2 399 970 42 LYS HE2 H 3.015 0.03 2 400 970 42 LYS HE3 H 3.015 0.03 2 401 970 42 LYS C C 176.168 0.30 1 402 970 42 LYS CA C 56.181 0.30 1 403 970 42 LYS CB C 33.145 0.30 1 404 970 42 LYS CG C 24.875 0.30 1 405 970 42 LYS CD C 29.314 0.30 1 406 970 42 LYS CE C 42.264 0.30 1 407 970 42 LYS N N 122.120 0.30 1 408 971 43 GLU H H 8.325 0.03 1 409 971 43 GLU HA H 4.606 0.03 1 410 971 43 GLU HB2 H 2.070 0.03 2 411 971 43 GLU HB3 H 1.904 0.03 2 412 971 43 GLU HG2 H 2.313 0.03 2 413 971 43 GLU HG3 H 2.313 0.03 2 414 971 43 GLU C C 174.502 0.30 1 415 971 43 GLU CA C 54.476 0.30 1 416 971 43 GLU CB C 29.691 0.30 1 417 971 43 GLU CG C 36.122 0.30 1 418 971 43 GLU N N 123.292 0.30 1 419 972 44 PRO HA H 4.495 0.03 1 420 972 44 PRO HB2 H 1.913 0.03 2 421 972 44 PRO HB3 H 2.302 0.03 2 422 972 44 PRO HG2 H 2.045 0.03 2 423 972 44 PRO HG3 H 2.045 0.03 2 424 972 44 PRO HD2 H 3.691 0.03 2 425 972 44 PRO HD3 H 3.838 0.03 2 426 972 44 PRO C C 176.857 0.30 1 427 972 44 PRO CA C 63.173 0.30 1 428 972 44 PRO CB C 32.022 0.30 1 429 972 44 PRO CG C 27.464 0.30 1 430 972 44 PRO CD C 50.847 0.30 1 431 973 45 VAL H H 8.287 0.03 1 432 973 45 VAL HA H 4.127 0.03 1 433 973 45 VAL HB H 2.082 0.03 1 434 973 45 VAL HG1 H 0.951 0.03 2 435 973 45 VAL HG2 H 0.970 0.03 2 436 973 45 VAL C C 176.044 0.30 1 437 973 45 VAL CA C 62.320 0.30 1 438 973 45 VAL CB C 32.647 0.30 1 439 973 45 VAL CG1 C 21.107 0.30 2 440 973 45 VAL CG2 C 20.657 0.30 2 441 973 45 VAL N N 120.450 0.30 1 442 974 46 ASN H H 8.561 0.03 1 443 974 46 ASN HA H 4.748 0.03 1 444 974 46 ASN HB2 H 2.899 0.03 2 445 974 46 ASN HB3 H 2.819 0.03 2 446 974 46 ASN C C 175.593 0.30 1 447 974 46 ASN CA C 53.452 0.30 1 448 974 46 ASN CB C 39.070 0.30 1 449 974 46 ASN N N 122.156 0.30 1 450 975 47 GLY H H 8.438 0.03 1 451 975 47 GLY HA2 H 4.010 0.03 2 452 975 47 GLY HA3 H 4.010 0.03 2 453 975 47 GLY C C 174.075 0.30 1 454 975 47 GLY CA C 45.494 0.30 1 455 975 47 GLY N N 109.240 0.30 1 456 976 48 CYS H H 8.371 0.03 1 457 976 48 CYS HA H 4.708 0.03 1 458 976 48 CYS HB2 H 3.024 0.03 2 459 976 48 CYS HB3 H 3.224 0.03 2 460 976 48 CYS C C 174.407 0.30 1 461 976 48 CYS CA C 55.786 0.30 1 462 976 48 CYS CB C 40.946 0.30 1 463 976 48 CYS N N 118.227 0.30 1 464 977 49 ASN H H 8.649 0.03 1 465 977 49 ASN HA H 4.823 0.03 1 466 977 49 ASN HB2 H 2.819 0.03 2 467 977 49 ASN HB3 H 2.880 0.03 2 468 977 49 ASN C C 175.230 0.30 1 469 977 49 ASN CA C 53.452 0.30 1 470 977 49 ASN CB C 38.843 0.30 1 471 977 49 ASN N N 120.649 0.30 1 472 978 50 THR H H 8.202 0.03 1 473 978 50 THR HA H 4.326 0.03 1 474 978 50 THR HB H 4.078 0.03 1 475 978 50 THR HG2 H 1.225 0.03 1 476 978 50 THR C C 175.231 0.30 1 477 978 50 THR CA C 62.234 0.30 1 478 978 50 THR CB C 69.767 0.30 1 479 978 50 THR CG2 C 21.727 0.30 1 480 978 50 THR N N 113.795 0.30 1 481 979 51 GLY H H 8.445 0.03 1 482 979 51 GLY HA2 H 3.973 0.03 2 483 979 51 GLY HA3 H 3.973 0.03 2 484 979 51 GLY C C 173.711 0.30 1 485 979 51 GLY CA C 45.380 0.30 1 486 979 51 GLY N N 110.871 0.30 1 487 980 52 ILE H H 7.906 0.03 1 488 980 52 ILE HA H 4.193 0.03 1 489 980 52 ILE HB H 1.849 0.03 1 490 980 52 ILE HG12 H 1.173 0.03 2 491 980 52 ILE HG13 H 1.443 0.03 2 492 980 52 ILE HG2 H 0.897 0.03 1 493 980 52 ILE HD1 H 0.860 0.03 1 494 980 52 ILE C C 176.027 0.30 1 495 980 52 ILE CA C 60.973 0.30 1 496 980 52 ILE CB C 38.750 0.30 1 497 980 52 ILE CG1 C 27.094 0.30 1 498 980 52 ILE CG2 C 17.549 0.30 1 499 980 52 ILE CD1 C 12.961 0.30 1 500 980 52 ILE N N 119.618 0.30 1 501 981 53 LEU H H 8.327 0.03 1 502 981 53 LEU HA H 4.669 0.03 1 503 981 53 LEU HB2 H 1.609 0.03 2 504 981 53 LEU HB3 H 1.609 0.03 2 505 981 53 LEU HG H 1.634 0.03 1 506 981 53 LEU HD1 H 0.928 0.03 2 507 981 53 LEU HD2 H 0.915 0.03 2 508 981 53 LEU C C 175.056 0.30 1 509 981 53 LEU CA C 52.964 0.30 1 510 981 53 LEU CB C 41.749 0.30 1 511 981 53 LEU CG C 27.020 0.30 1 512 981 53 LEU CD1 C 25.171 0.30 2 513 981 53 LEU CD2 C 23.469 0.30 2 514 981 53 LEU N N 127.775 0.30 1 515 982 54 PRO HA H 4.432 0.03 1 516 982 54 PRO HB2 H 1.922 0.03 2 517 982 54 PRO HB3 H 2.303 0.03 2 518 982 54 PRO HG2 H 2.045 0.03 2 519 982 54 PRO HG3 H 2.045 0.03 2 520 982 54 PRO HD2 H 3.814 0.03 2 521 982 54 PRO HD3 H 3.703 0.03 2 522 982 54 PRO C C 176.542 0.30 1 523 982 54 PRO CA C 62.916 0.30 1 524 982 54 PRO CB C 32.022 0.30 1 525 982 54 PRO CG C 27.464 0.30 1 526 982 54 PRO CD C 50.847 0.30 1 527 983 55 GLN H H 8.395 0.03 1 528 983 55 GLN HA H 4.618 0.03 1 529 983 55 GLN HB2 H 1.938 0.03 2 530 983 55 GLN HB3 H 2.112 0.03 2 531 983 55 GLN HG2 H 2.437 0.03 2 532 983 55 GLN HG3 H 2.437 0.03 2 533 983 55 GLN C C 174.060 0.30 1 534 983 55 GLN CA C 53.509 0.30 1 535 983 55 GLN CB C 29.179 0.30 1 536 983 55 GLN CG C 33.532 0.30 1 537 983 55 GLN N N 121.566 0.30 1 538 984 56 PRO HA H 4.839 0.03 1 539 984 56 PRO HB2 H 1.947 0.03 2 540 984 56 PRO HB3 H 2.315 0.03 2 541 984 56 PRO HG2 H 2.033 0.03 2 542 984 56 PRO HG3 H 2.033 0.03 2 543 984 56 PRO HD2 H 3.906 0.03 2 544 984 56 PRO HD3 H 3.906 0.03 2 545 984 56 PRO C C 176.415 0.30 1 546 984 56 PRO CA C 62.076 0.30 1 547 984 56 PRO CB C 32.364 0.30 1 548 984 56 PRO CG C 27.242 0.30 1 549 984 56 PRO CD C 50.773 0.30 1 550 985 57 VAL H H 8.524 0.03 1 551 985 57 VAL HA H 4.114 0.03 1 552 985 57 VAL HB H 2.091 0.03 1 553 985 57 VAL HG1 H 0.964 0.03 2 554 985 57 VAL HG2 H 0.964 0.03 2 555 985 57 VAL C C 176.804 0.30 1 556 985 57 VAL CA C 62.539 0.30 1 557 985 57 VAL CB C 32.703 0.30 1 558 985 57 VAL CG1 C 21.136 0.30 2 559 985 57 VAL CG2 C 21.136 0.30 2 560 985 57 VAL N N 121.387 0.30 1 561 986 58 GLY H H 8.550 0.03 1 562 986 58 GLY HA2 H 4.064 0.03 2 563 986 58 GLY HA3 H 4.064 0.03 2 564 986 58 GLY C C 174.065 0.30 1 565 986 58 GLY CA C 45.327 0.30 1 566 986 58 GLY N N 112.598 0.30 1 567 987 59 THR H H 8.064 0.03 1 568 987 59 THR HA H 4.335 0.03 1 569 987 59 THR HB H 4.319 0.03 1 570 987 59 THR HG2 H 1.276 0.03 1 571 987 59 THR C C 174.127 0.30 1 572 987 59 THR CA C 62.242 0.30 1 573 987 59 THR CB C 69.985 0.30 1 574 987 59 THR CG2 C 21.496 0.30 1 575 987 59 THR N N 114.849 0.30 1 576 988 60 VAL H H 8.278 0.03 1 577 988 60 VAL HA H 4.166 0.03 1 578 988 60 VAL HB H 2.094 0.03 1 579 988 60 VAL HG1 H 0.970 0.03 2 580 988 60 VAL HG2 H 0.958 0.03 2 581 988 60 VAL C C 175.388 0.30 1 582 988 60 VAL CA C 62.375 0.30 1 583 988 60 VAL CB C 32.902 0.30 1 584 988 60 VAL CG1 C 20.547 0.30 2 585 988 60 VAL CG2 C 21.249 0.30 2 586 988 60 VAL N N 124.119 0.30 1 587 989 61 LEU H H 8.444 0.03 1 588 989 61 LEU HA H 4.421 0.03 1 589 989 61 LEU HB2 H 1.634 0.03 2 590 989 61 LEU HB3 H 1.634 0.03 2 591 989 61 LEU HG H 1.640 0.03 1 592 989 61 LEU HD1 H 0.940 0.03 2 593 989 61 LEU HD2 H 0.872 0.03 2 594 989 61 LEU C C 176.504 0.30 1 595 989 61 LEU CA C 54.930 0.30 1 596 989 61 LEU CB C 42.481 0.30 1 597 989 61 LEU CG C 26.798 0.30 1 598 989 61 LEU CD1 C 24.875 0.30 2 599 989 61 LEU CD2 C 23.691 0.30 2 600 989 61 LEU N N 127.120 0.30 1 601 990 62 LEU H H 8.281 0.03 1 602 990 62 LEU HA H 4.340 0.03 1 603 990 62 LEU HB2 H 1.640 0.03 2 604 990 62 LEU HB3 H 1.640 0.03 2 605 990 62 LEU HG H 1.628 0.03 1 606 990 62 LEU HD1 H 0.921 0.03 2 607 990 62 LEU HD2 H 0.872 0.03 2 608 990 62 LEU C C 174.651 0.30 1 609 990 62 LEU CA C 55.231 0.30 1 610 990 62 LEU CB C 42.471 0.30 1 611 990 62 LEU CG C 26.946 0.30 1 612 990 62 LEU CD1 C 24.875 0.30 2 613 990 62 LEU CD2 C 23.617 0.30 2 614 990 62 LEU N N 124.408 0.30 1 615 991 63 GLN H H 8.346 0.03 1 616 991 63 GLN HA H 4.356 0.03 1 617 991 63 GLN HB2 H 2.028 0.03 2 618 991 63 GLN HB3 H 2.028 0.03 2 619 991 63 GLN HG2 H 2.301 0.03 2 620 991 63 GLN HG3 H 2.301 0.03 2 621 991 63 GLN C C 176.194 0.30 1 622 991 63 GLN CA C 55.407 0.30 1 623 991 63 GLN CB C 29.479 0.30 1 624 991 63 GLN CG C 33.828 0.30 1 625 991 63 GLN N N 121.844 0.30 1 626 992 64 ILE H H 8.295 0.03 1 627 992 64 ILE HA H 4.503 0.03 1 628 992 64 ILE HB H 1.892 0.03 1 629 992 64 ILE HG12 H 1.204 0.03 2 630 992 64 ILE HG13 H 1.519 0.03 2 631 992 64 ILE HD1 H 0.885 0.03 1 632 992 64 ILE C C 176.336 0.30 1 633 992 64 ILE CA C 58.910 0.30 1 634 992 64 ILE CB C 38.750 0.30 1 635 992 64 ILE CG1 C 26.886 0.30 1 636 992 64 ILE CG2 C 17.031 0.30 1 637 992 64 ILE CD1 C 12.517 0.30 1 638 992 64 ILE N N 124.563 0.30 1 639 993 65 PRO HA H 4.421 0.03 1 640 993 65 PRO HB2 H 1.902 0.03 2 641 993 65 PRO HB3 H 2.302 0.03 2 642 993 65 PRO HG2 H 2.045 0.03 2 643 993 65 PRO HG3 H 2.045 0.03 2 644 993 65 PRO HD2 H 3.869 0.03 2 645 993 65 PRO HD3 H 3.869 0.03 2 646 993 65 PRO C C 176.526 0.30 1 647 993 65 PRO CA C 63.173 0.30 1 648 993 65 PRO CB C 32.135 0.30 1 649 993 65 PRO CG C 27.464 0.30 1 650 993 65 PRO CD C 50.847 0.30 1 651 994 66 GLU H H 8.476 0.03 1 652 994 66 GLU HA H 4.575 0.03 1 653 994 66 GLU HB2 H 2.065 0.03 2 654 994 66 GLU HB3 H 1.919 0.03 2 655 994 66 GLU HG2 H 2.358 0.03 2 656 994 66 GLU HG3 H 2.358 0.03 2 657 994 66 GLU C C 174.850 0.30 1 658 994 66 GLU CA C 54.476 0.30 1 659 994 66 GLU CB C 29.634 0.30 1 660 994 66 GLU CG C 36.048 0.30 1 661 994 66 GLU N N 122.683 0.30 1 662 995 67 PRO HA H 4.418 0.03 1 663 995 67 PRO HB2 H 1.933 0.03 2 664 995 67 PRO HB3 H 2.302 0.03 2 665 995 67 PRO HG2 H 2.045 0.03 2 666 995 67 PRO HG3 H 2.045 0.03 2 667 995 67 PRO HD2 H 3.844 0.03 2 668 995 67 PRO HD3 H 3.844 0.03 2 669 995 67 PRO C C 176.969 0.30 1 670 995 67 PRO CA C 63.455 0.30 1 671 995 67 PRO CB C 32.078 0.30 1 672 995 67 PRO CG C 27.464 0.30 1 673 995 67 PRO CD C 50.847 0.30 1 674 996 68 GLN H H 8.561 0.03 1 675 996 68 GLN HA H 4.358 0.03 1 676 996 68 GLN HB2 H 2.033 0.03 2 677 996 68 GLN HB3 H 2.131 0.03 2 678 996 68 GLN HG2 H 2.395 0.03 2 679 996 68 GLN HG3 H 2.395 0.03 2 680 996 68 GLN C C 176.146 0.30 1 681 996 68 GLN CA C 55.849 0.30 1 682 996 68 GLN CB C 29.634 0.30 1 683 996 68 GLN CG C 33.828 0.30 1 684 996 68 GLN N N 120.658 0.30 1 685 997 69 GLU H H 8.527 0.03 1 686 997 69 GLU HA H 4.354 0.03 1 687 997 69 GLU HB2 H 2.056 0.03 2 688 997 69 GLU HB3 H 1.965 0.03 2 689 997 69 GLU HG2 H 2.279 0.03 2 690 997 69 GLU HG3 H 2.279 0.03 2 691 997 69 GLU C C 176.510 0.30 1 692 997 69 GLU CA C 56.693 0.30 1 693 997 69 GLU CB C 30.202 0.30 1 694 997 69 GLU CG C 36.270 0.30 1 695 997 69 GLU N N 122.353 0.30 1 696 998 70 SER H H 8.454 0.03 1 697 998 70 SER HA H 4.476 0.03 1 698 998 70 SER HB2 H 3.873 0.03 2 699 998 70 SER HB3 H 3.873 0.03 2 700 998 70 SER C C 174.328 0.30 1 701 998 70 SER CA C 58.393 0.30 1 702 998 70 SER CB C 63.912 0.30 1 703 998 70 SER N N 116.948 0.30 1 704 999 71 ASN H H 8.559 0.03 1 705 999 71 ASN HA H 4.822 0.03 1 706 999 71 ASN HB2 H 2.906 0.03 2 707 999 71 ASN HB3 H 2.810 0.03 2 708 999 71 ASN C C 175.451 0.30 1 709 999 71 ASN CA C 53.339 0.30 1 710 999 71 ASN CB C 39.014 0.30 1 711 999 71 ASN N N 121.118 0.30 1 712 1000 72 SER H H 8.393 0.03 1 713 1000 72 SER HA H 4.443 0.03 1 714 1000 72 SER HB2 H 3.878 0.03 2 715 1000 72 SER HB3 H 3.878 0.03 2 716 1000 72 SER C C 174.471 0.30 1 717 1000 72 SER CA C 58.575 0.30 1 718 1000 72 SER CB C 63.912 0.30 1 719 1000 72 SER N N 116.492 0.30 1 720 1001 73 ASP H H 8.401 0.03 1 721 1001 73 ASP HA H 4.604 0.03 1 722 1001 73 ASP HB2 H 2.668 0.03 2 723 1001 73 ASP HB3 H 2.739 0.03 2 724 1001 73 ASP C C 176.178 0.30 1 725 1001 73 ASP CA C 54.389 0.30 1 726 1001 73 ASP CB C 41.174 0.30 1 727 1001 73 ASP N N 122.539 0.30 1 728 1002 74 ALA H H 8.211 0.03 1 729 1002 74 ALA HA H 4.307 0.03 1 730 1002 74 ALA HB H 1.428 0.03 1 731 1002 74 ALA C C 178.360 0.30 1 732 1002 74 ALA CA C 53.055 0.30 1 733 1002 74 ALA CB C 19.174 0.30 1 734 1002 74 ALA N N 124.163 0.30 1 735 1003 75 GLY H H 8.404 0.03 1 736 1003 75 GLY HA2 H 3.978 0.03 2 737 1003 75 GLY HA3 H 3.978 0.03 2 738 1003 75 GLY C C 174.392 0.30 1 739 1003 75 GLY CA C 45.494 0.30 1 740 1003 75 GLY N N 107.547 0.30 1 741 1004 76 ILE H H 7.952 0.03 1 742 1004 76 ILE HA H 4.168 0.03 1 743 1004 76 ILE HB H 1.883 0.03 1 744 1004 76 ILE HG12 H 1.186 0.03 2 745 1004 76 ILE HG13 H 1.456 0.03 2 746 1004 76 ILE HG2 H 0.896 0.03 1 747 1004 76 ILE HD1 H 0.863 0.03 1 748 1004 76 ILE C C 175.925 0.30 1 749 1004 76 ILE CA C 61.419 0.30 1 750 1004 76 ILE CB C 38.816 0.30 1 751 1004 76 ILE CG1 C 27.242 0.30 1 752 1004 76 ILE CG2 C 17.623 0.30 1 753 1004 76 ILE CD1 C 13.035 0.30 1 754 1004 76 ILE N N 119.463 0.30 1 755 1005 77 ASN H H 8.494 0.03 1 756 1005 77 ASN HA H 4.728 0.03 1 757 1005 77 ASN HB2 H 2.742 0.03 2 758 1005 77 ASN HB3 H 2.855 0.03 2 759 1005 77 ASN C C 175.037 0.30 1 760 1005 77 ASN CA C 53.357 0.30 1 761 1005 77 ASN CB C 38.787 0.30 1 762 1005 77 ASN N N 122.097 0.30 1 763 1006 78 LEU H H 8.172 0.03 1 764 1006 78 LEU HA H 4.352 0.03 1 765 1006 78 LEU HB2 H 1.628 0.03 2 766 1006 78 LEU HB3 H 1.628 0.03 2 767 1006 78 LEU HG H 1.634 0.03 1 768 1006 78 LEU HD1 H 0.928 0.03 2 769 1006 78 LEU HD2 H 0.879 0.03 2 770 1006 78 LEU C C 177.413 0.30 1 771 1006 78 LEU CA C 55.690 0.30 1 772 1006 78 LEU CB C 42.405 0.30 1 773 1006 78 LEU CG C 26.946 0.30 1 774 1006 78 LEU CD1 C 24.875 0.30 2 775 1006 78 LEU CD2 C 23.543 0.30 2 776 1006 78 LEU N N 122.442 0.30 1 777 1007 79 ILE H H 8.028 0.03 1 778 1007 79 ILE HA H 4.147 0.03 1 779 1007 79 ILE HB H 1.883 0.03 1 780 1007 79 ILE HG12 H 1.186 0.03 2 781 1007 79 ILE HG13 H 1.456 0.03 2 782 1007 79 ILE HG2 H 0.896 0.03 1 783 1007 79 ILE HD1 H 0.863 0.03 1 784 1007 79 ILE C C 175.530 0.30 1 785 1007 79 ILE CA C 61.063 0.30 1 786 1007 79 ILE CB C 38.616 0.30 1 787 1007 79 ILE CG1 C 27.242 0.30 1 788 1007 79 ILE CG2 C 17.549 0.30 1 789 1007 79 ILE CD1 C 12.887 0.30 1 790 1007 79 ILE N N 121.382 0.30 1 791 1008 80 ALA H H 8.119 0.03 1 792 1008 80 ALA HA H 4.341 0.03 1 793 1008 80 ALA HB H 1.360 0.03 1 794 1008 80 ALA C C 176.539 0.30 1 795 1008 80 ALA CA C 52.088 0.30 1 796 1008 80 ALA CB C 19.660 0.30 1 797 1008 80 ALA N N 126.328 0.30 1 798 1009 81 LEU H H 7.908 0.03 1 799 1009 81 LEU HA H 4.592 0.03 1 800 1009 81 LEU HB2 H 1.579 0.03 2 801 1009 81 LEU HB3 H 1.579 0.03 2 802 1009 81 LEU HG H 1.443 0.03 1 803 1009 81 LEU HD1 H 0.649 0.03 2 804 1009 81 LEU HD2 H 0.547 0.03 2 805 1009 81 LEU C C 174.825 0.30 1 806 1009 81 LEU CA C 52.571 0.30 1 807 1009 81 LEU CB C 42.006 0.30 1 808 1009 81 LEU CG C 26.946 0.30 1 809 1009 81 LEU CD1 C 24.044 0.30 2 810 1009 81 LEU CD2 C 24.836 0.30 2 811 1009 81 LEU N N 120.706 0.30 1 812 1010 82 PRO HA H 4.510 0.03 1 813 1010 82 PRO HB2 H 2.148 0.03 2 814 1010 82 PRO HB3 H 2.148 0.03 2 815 1010 82 PRO HG2 H 1.970 0.03 2 816 1010 82 PRO HG3 H 1.869 0.03 2 817 1010 82 PRO HD2 H 3.643 0.03 2 818 1010 82 PRO HD3 H 3.771 0.03 2 819 1010 82 PRO C C 176.336 0.30 1 820 1010 82 PRO CA C 62.333 0.30 1 821 1010 82 PRO CB C 32.078 0.30 1 822 1010 82 PRO CG C 27.488 0.30 1 823 1010 82 PRO CD C 50.685 0.30 1 824 1011 83 ALA H H 8.478 0.03 1 825 1011 83 ALA HA H 4.305 0.03 1 826 1011 83 ALA HB H 1.392 0.03 1 827 1011 83 ALA C C 178.929 0.30 1 828 1011 83 ALA CA C 52.948 0.30 1 829 1011 83 ALA CB C 18.492 0.30 1 830 1011 83 ALA N N 123.997 0.30 1 831 1012 84 PHE H H 8.834 0.03 1 832 1012 84 PHE HA H 3.882 0.03 1 833 1012 84 PHE HB2 H 2.747 0.03 2 834 1012 84 PHE HB3 H 2.678 0.03 2 835 1012 84 PHE HD1 H 6.625 0.03 3 836 1012 84 PHE HD2 H 6.625 0.03 3 837 1012 84 PHE HE1 H 6.824 0.03 3 838 1012 84 PHE HE2 H 6.824 0.03 3 839 1012 84 PHE C C 177.427 0.30 1 840 1012 84 PHE CA C 60.793 0.30 1 841 1012 84 PHE CB C 38.688 0.30 1 842 1012 84 PHE CD1 C 131.742 0.30 3 843 1012 84 PHE CD2 C 131.742 0.30 3 844 1012 84 PHE CE1 C 130.759 0.30 3 845 1012 84 PHE CE2 C 130.759 0.30 3 846 1012 84 PHE N N 123.101 0.30 1 847 1013 85 SER H H 8.216 0.03 1 848 1013 85 SER HA H 4.049 0.03 1 849 1013 85 SER HB2 H 3.926 0.03 2 850 1013 85 SER HB3 H 3.864 0.03 2 851 1013 85 SER C C 177.427 0.30 1 852 1013 85 SER CA C 59.794 0.30 1 853 1013 85 SER CB C 62.605 0.30 1 854 1013 85 SER N N 111.713 0.30 1 855 1014 86 GLN H H 8.015 0.03 1 856 1014 86 GLN HA H 4.280 0.03 1 857 1014 86 GLN HB2 H 2.080 0.03 2 858 1014 86 GLN HB3 H 2.278 0.03 2 859 1014 86 GLN HG2 H 2.405 0.03 2 860 1014 86 GLN HG3 H 2.305 0.03 2 861 1014 86 GLN C C 175.956 0.30 1 862 1014 86 GLN CA C 55.395 0.30 1 863 1014 86 GLN CB C 29.645 0.30 1 864 1014 86 GLN CG C 34.578 0.30 1 865 1014 86 GLN N N 119.507 0.30 1 866 1015 87 VAL H H 7.268 0.03 1 867 1015 87 VAL HA H 3.593 0.03 1 868 1015 87 VAL HB H 1.609 0.03 1 869 1015 87 VAL HG1 H 0.790 0.03 2 870 1015 87 VAL HG2 H 0.716 0.03 2 871 1015 87 VAL C C 175.830 0.30 1 872 1015 87 VAL CA C 62.912 0.30 1 873 1015 87 VAL CB C 31.605 0.30 1 874 1015 87 VAL CG1 C 22.891 0.30 2 875 1015 87 VAL CG2 C 21.056 0.30 2 876 1015 87 VAL N N 120.640 0.30 1 877 1016 88 ASP H H 8.934 0.03 1 878 1016 88 ASP HA H 4.772 0.03 1 879 1016 88 ASP HB2 H 2.740 0.03 2 880 1016 88 ASP HB3 H 2.310 0.03 2 881 1016 88 ASP C C 175.166 0.30 1 882 1016 88 ASP CA C 51.527 0.30 1 883 1016 88 ASP CB C 42.026 0.30 1 884 1016 88 ASP N N 130.576 0.30 1 885 1017 89 PRO HA H 4.270 0.03 1 886 1017 89 PRO HB2 H 1.806 0.03 2 887 1017 89 PRO HB3 H 2.240 0.03 2 888 1017 89 PRO HG2 H 2.106 0.03 2 889 1017 89 PRO HG3 H 2.106 0.03 2 890 1017 89 PRO HD2 H 3.760 0.03 2 891 1017 89 PRO HD3 H 3.848 0.03 2 892 1017 89 PRO C C 179.625 0.30 1 893 1017 89 PRO CA C 64.504 0.30 1 894 1017 89 PRO CB C 32.049 0.30 1 895 1017 89 PRO CG C 27.415 0.30 1 896 1017 89 PRO CD C 50.146 0.30 1 897 1018 90 GLU H H 8.347 0.03 1 898 1018 90 GLU HA H 4.095 0.03 1 899 1018 90 GLU HB2 H 2.076 0.03 2 900 1018 90 GLU HB3 H 2.125 0.03 2 901 1018 90 GLU HG2 H 2.205 0.03 2 902 1018 90 GLU HG3 H 2.355 0.03 2 903 1018 90 GLU C C 179.491 0.30 1 904 1018 90 GLU CA C 58.909 0.30 1 905 1018 90 GLU CB C 29.634 0.30 1 906 1018 90 GLU CG C 36.990 0.30 1 907 1018 90 GLU N N 118.997 0.30 1 908 1019 91 VAL H H 7.562 0.03 1 909 1019 91 VAL HA H 3.319 0.03 1 910 1019 91 VAL HB H 2.224 0.03 1 911 1019 91 VAL HG1 H 0.748 0.03 2 912 1019 91 VAL HG2 H 1.037 0.03 2 913 1019 91 VAL C C 177.395 0.30 1 914 1019 91 VAL CA C 66.129 0.30 1 915 1019 91 VAL CB C 31.453 0.30 1 916 1019 91 VAL CG1 C 20.687 0.30 2 917 1019 91 VAL CG2 C 21.972 0.30 2 918 1019 91 VAL N N 120.948 0.30 1 919 1020 92 PHE H H 8.115 0.03 1 920 1020 92 PHE HA H 3.681 0.03 1 921 1020 92 PHE HB2 H 2.841 0.03 2 922 1020 92 PHE HB3 H 3.043 0.03 2 923 1020 92 PHE HD1 H 7.140 0.03 3 924 1020 92 PHE HD2 H 7.140 0.03 3 925 1020 92 PHE HE1 H 7.410 0.03 3 926 1020 92 PHE HE2 H 7.410 0.03 3 927 1020 92 PHE C C 177.158 0.30 1 928 1020 92 PHE CA C 62.391 0.30 1 929 1020 92 PHE CB C 39.809 0.30 1 930 1020 92 PHE CD1 C 131.295 0.30 3 931 1020 92 PHE CD2 C 131.295 0.30 3 932 1020 92 PHE CE1 C 129.719 0.30 3 933 1020 92 PHE CE2 C 129.719 0.30 3 934 1020 92 PHE N N 117.987 0.30 1 935 1021 93 ALA H H 7.686 0.03 1 936 1021 93 ALA HA H 3.959 0.03 1 937 1021 93 ALA HB H 1.485 0.03 1 938 1021 93 ALA C C 177.458 0.30 1 939 1021 93 ALA CA C 53.731 0.30 1 940 1021 93 ALA CB C 18.557 0.30 1 941 1021 93 ALA N N 115.283 0.30 1 942 1022 94 ALA H H 7.247 0.03 1 943 1022 94 ALA HA H 4.221 0.03 1 944 1022 94 ALA HB H 1.242 0.03 1 945 1022 94 ALA C C 177.706 0.30 1 946 1022 94 ALA CA C 51.687 0.30 1 947 1022 94 ALA CB C 18.928 0.30 1 948 1022 94 ALA N N 118.839 0.30 1 949 1023 95 LEU H H 7.107 0.03 1 950 1023 95 LEU HA H 4.266 0.03 1 951 1023 95 LEU HB2 H 1.038 0.03 2 952 1023 95 LEU HB3 H 1.597 0.03 2 953 1023 95 LEU HG H 0.591 0.03 1 954 1023 95 LEU HD1 H 0.521 0.03 2 955 1023 95 LEU HD2 H 0.854 0.03 2 956 1023 95 LEU C C 174.312 0.30 1 957 1023 95 LEU CA C 52.352 0.30 1 958 1023 95 LEU CB C 40.345 0.30 1 959 1023 95 LEU CG C 26.172 0.30 1 960 1023 95 LEU CD1 C 21.587 0.30 2 961 1023 95 LEU CD2 C 24.992 0.30 2 962 1023 95 LEU N N 118.524 0.30 1 963 1024 96 PRO HA H 4.469 0.03 1 964 1024 96 PRO HB2 H 1.920 0.03 2 965 1024 96 PRO HB3 H 2.314 0.03 2 966 1024 96 PRO HG2 H 2.043 0.03 2 967 1024 96 PRO HG3 H 2.043 0.03 2 968 1024 96 PRO HD2 H 3.716 0.03 2 969 1024 96 PRO HD3 H 3.810 0.03 2 970 1024 96 PRO C C 177.759 0.30 1 971 1024 96 PRO CA C 63.010 0.30 1 972 1024 96 PRO CB C 32.092 0.30 1 973 1024 96 PRO CG C 27.415 0.30 1 974 1024 96 PRO CD C 50.804 0.30 1 975 1025 97 ALA H H 9.068 0.03 1 976 1025 97 ALA HA H 3.945 0.03 1 977 1025 97 ALA HB H 1.488 0.03 1 978 1025 97 ALA C C 179.862 0.30 1 979 1025 97 ALA CA C 55.754 0.30 1 980 1025 97 ALA CB C 18.322 0.30 1 981 1025 97 ALA N N 127.836 0.30 1 982 1026 98 GLU H H 9.610 0.03 1 983 1026 98 GLU HA H 4.062 0.03 1 984 1026 98 GLU HB2 H 2.049 0.03 2 985 1026 98 GLU HB3 H 2.049 0.03 2 986 1026 98 GLU HG2 H 2.364 0.03 2 987 1026 98 GLU HG3 H 2.364 0.03 2 988 1026 98 GLU C C 178.837 0.30 1 989 1026 98 GLU CA C 59.819 0.30 1 990 1026 98 GLU CB C 28.582 0.30 1 991 1026 98 GLU CG C 35.890 0.30 1 992 1026 98 GLU N N 115.988 0.30 1 993 1027 99 LEU H H 7.163 0.03 1 994 1027 99 LEU HA H 4.338 0.03 1 995 1027 99 LEU HB2 H 1.678 0.03 2 996 1027 99 LEU HB3 H 1.559 0.03 2 997 1027 99 LEU HG H 1.628 0.03 1 998 1027 99 LEU HD1 H 0.877 0.03 2 999 1027 99 LEU HD2 H 0.876 0.03 2 1000 1027 99 LEU C C 178.625 0.30 1 1001 1027 99 LEU CA C 56.424 0.30 1 1002 1027 99 LEU CB C 42.206 0.30 1 1003 1027 99 LEU CG C 26.976 0.30 1 1004 1027 99 LEU CD1 C 23.339 0.30 2 1005 1027 99 LEU CD2 C 24.878 0.30 2 1006 1027 99 LEU N N 120.753 0.30 1 1007 1028 100 GLN H H 7.925 0.03 1 1008 1028 100 GLN HA H 3.628 0.03 1 1009 1028 100 GLN HB2 H 1.936 0.03 2 1010 1028 100 GLN HB3 H 1.936 0.03 2 1011 1028 100 GLN HG2 H 1.960 0.03 2 1012 1028 100 GLN HG3 H 1.115 0.03 2 1013 1028 100 GLN HE21 H 7.326 0.03 2 1014 1028 100 GLN HE22 H 6.577 0.03 2 1015 1028 100 GLN C C 178.613 0.30 1 1016 1028 100 GLN CA C 59.920 0.30 1 1017 1028 100 GLN CB C 28.183 0.30 1 1018 1028 100 GLN CG C 33.700 0.30 1 1019 1028 100 GLN N N 118.624 0.30 1 1020 1028 100 GLN NE2 N 113.045 0.30 1 1021 1029 101 ARG H H 8.085 0.03 1 1022 1029 101 ARG HA H 4.049 0.03 1 1023 1029 101 ARG HB2 H 1.892 0.03 2 1024 1029 101 ARG HB3 H 1.892 0.03 2 1025 1029 101 ARG HG2 H 1.875 0.03 2 1026 1029 101 ARG HG3 H 1.647 0.03 2 1027 1029 101 ARG HD2 H 3.213 0.03 2 1028 1029 101 ARG HD3 H 3.213 0.03 2 1029 1029 101 ARG C C 179.067 0.30 1 1030 1029 101 ARG CA C 59.758 0.30 1 1031 1029 101 ARG CB C 30.310 0.30 1 1032 1029 101 ARG CG C 27.722 0.30 1 1033 1029 101 ARG CD C 43.495 0.30 1 1034 1029 101 ARG N N 116.533 0.30 1 1035 1030 102 GLU H H 7.680 0.03 1 1036 1030 102 GLU HA H 4.037 0.03 1 1037 1030 102 GLU HB2 H 1.961 0.03 2 1038 1030 102 GLU HB3 H 1.961 0.03 2 1039 1030 102 GLU HG2 H 2.452 0.03 2 1040 1030 102 GLU HG3 H 2.144 0.03 2 1041 1030 102 GLU C C 179.297 0.30 1 1042 1030 102 GLU CA C 59.558 0.30 1 1043 1030 102 GLU CB C 30.310 0.30 1 1044 1030 102 GLU CG C 36.259 0.30 1 1045 1030 102 GLU N N 120.984 0.30 1 1046 1031 103 LEU H H 8.398 0.03 1 1047 1031 103 LEU HA H 4.139 0.03 1 1048 1031 103 LEU HB2 H 1.688 0.03 2 1049 1031 103 LEU HB3 H 2.245 0.03 2 1050 1031 103 LEU HG H 1.951 0.03 1 1051 1031 103 LEU HD1 H 1.001 0.03 2 1052 1031 103 LEU HD2 H 0.975 0.03 2 1053 1031 103 LEU C C 176.518 0.30 1 1054 1031 103 LEU CA C 58.135 0.30 1 1055 1031 103 LEU CB C 42.373 0.30 1 1056 1031 103 LEU CG C 27.840 0.30 1 1057 1031 103 LEU CD1 C 23.675 0.30 2 1058 1031 103 LEU CD2 C 26.587 0.30 2 1059 1031 103 LEU N N 119.587 0.30 1 1060 1032 104 LYS H H 8.594 0.03 1 1061 1032 104 LYS HA H 4.052 0.03 1 1062 1032 104 LYS HB2 H 1.993 0.03 2 1063 1032 104 LYS HB3 H 1.993 0.03 2 1064 1032 104 LYS HG2 H 1.697 0.03 2 1065 1032 104 LYS HG3 H 1.490 0.03 2 1066 1032 104 LYS HE2 H 2.911 0.03 2 1067 1032 104 LYS HE3 H 2.911 0.03 2 1068 1032 104 LYS C C 178.572 0.30 1 1069 1032 104 LYS CA C 60.017 0.30 1 1070 1032 104 LYS CB C 32.204 0.30 1 1071 1032 104 LYS CG C 25.660 0.30 1 1072 1032 104 LYS CD C 28.730 0.30 1 1073 1032 104 LYS CE C 42.033 0.30 1 1074 1032 104 LYS N N 118.499 0.30 1 1075 1033 105 ALA H H 7.952 0.03 1 1076 1033 105 ALA HA H 4.233 0.03 1 1077 1033 105 ALA HB H 1.509 0.03 1 1078 1033 105 ALA C C 179.845 0.30 1 1079 1033 105 ALA CA C 54.590 0.30 1 1080 1033 105 ALA CB C 17.896 0.30 1 1081 1033 105 ALA N N 119.463 0.30 1 1082 1034 106 ALA H H 7.680 0.03 1 1083 1034 106 ALA HA H 4.147 0.03 1 1084 1034 106 ALA HB H 1.393 0.03 1 1085 1034 106 ALA C C 180.083 0.30 1 1086 1034 106 ALA CA C 54.393 0.30 1 1087 1034 106 ALA CB C 18.480 0.30 1 1088 1034 106 ALA N N 120.984 0.30 1 1089 1035 107 TYR H H 8.178 0.03 1 1090 1035 107 TYR HA H 4.314 0.03 1 1091 1035 107 TYR HB2 H 2.798 0.03 2 1092 1035 107 TYR HB3 H 3.059 0.03 2 1093 1035 107 TYR HD1 H 7.194 0.03 3 1094 1035 107 TYR HD2 H 7.194 0.03 3 1095 1035 107 TYR HE1 H 6.834 0.03 3 1096 1035 107 TYR HE2 H 6.834 0.03 3 1097 1035 107 TYR C C 177.822 0.30 1 1098 1035 107 TYR CA C 61.304 0.30 1 1099 1035 107 TYR CB C 38.275 0.30 1 1100 1035 107 TYR CD1 C 132.984 0.30 3 1101 1035 107 TYR CD2 C 132.984 0.30 3 1102 1035 107 TYR CE1 C 117.811 0.30 3 1103 1035 107 TYR CE2 C 117.811 0.30 3 1104 1035 107 TYR N N 117.089 0.30 1 1105 1036 108 ASP H H 8.254 0.03 1 1106 1036 108 ASP HA H 4.530 0.03 1 1107 1036 108 ASP HB2 H 2.747 0.03 2 1108 1036 108 ASP HB3 H 2.746 0.03 2 1109 1036 108 ASP C C 176.981 0.30 1 1110 1036 108 ASP CA C 56.090 0.30 1 1111 1036 108 ASP CB C 40.744 0.30 1 1112 1036 108 ASP N N 120.252 0.30 1 1113 1037 109 GLN H H 7.818 0.03 1 1114 1037 109 GLN HA H 4.301 0.03 1 1115 1037 109 GLN HB2 H 2.216 0.03 2 1116 1037 109 GLN HB3 H 2.028 0.03 2 1117 1037 109 GLN HG2 H 2.397 0.03 2 1118 1037 109 GLN HG3 H 2.397 0.03 2 1119 1037 109 GLN C C 176.115 0.30 1 1120 1037 109 GLN CA C 56.090 0.30 1 1121 1037 109 GLN CB C 29.180 0.30 1 1122 1037 109 GLN CG C 33.867 0.30 1 1123 1037 109 GLN N N 118.121 0.30 1 1124 1038 110 ARG H H 7.980 0.03 1 1125 1038 110 ARG HA H 4.359 0.03 1 1126 1038 110 ARG HB2 H 1.734 0.03 2 1127 1038 110 ARG HB3 H 1.868 0.03 2 1128 1038 110 ARG HG2 H 1.640 0.03 2 1129 1038 110 ARG HG3 H 1.640 0.03 2 1130 1038 110 ARG HD2 H 3.214 0.03 2 1131 1038 110 ARG HD3 H 3.214 0.03 2 1132 1038 110 ARG C C 175.390 0.30 1 1133 1038 110 ARG CA C 56.325 0.30 1 1134 1038 110 ARG CB C 30.709 0.30 1 1135 1038 110 ARG CG C 27.054 0.30 1 1136 1038 110 ARG CD C 43.461 0.30 1 1137 1038 110 ARG N N 121.162 0.30 1 1138 1039 111 GLN H H 7.940 0.03 1 1139 1039 111 GLN HA H 4.194 0.03 1 1140 1039 111 GLN HB2 H 2.137 0.03 2 1141 1039 111 GLN HB3 H 1.943 0.03 2 1142 1039 111 GLN HG2 H 2.339 0.03 2 1143 1039 111 GLN HG3 H 2.339 0.03 2 1144 1039 111 GLN C C 180.658 0.30 1 1145 1039 111 GLN CA C 57.524 0.30 1 1146 1039 111 GLN CB C 30.339 0.30 1 1147 1039 111 GLN CG C 34.358 0.30 1 1148 1039 111 GLN N N 126.002 0.30 1 stop_ save_