data_19231 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis of DNA Recognition by the Effector Domain of Klebsiella pneumoniae PmrA ; _BMRB_accession_number 19231 _BMRB_flat_file_name bmr19231.str _Entry_type original _Submission_date 2013-05-07 _Accession_date 2013-05-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Iren . . 2 Lou Yuan-Chao . . 3 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 609 "13C chemical shifts" 460 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2014-01-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and tandem DNA recognition of the C-terminal effector domain of PmrA from Klebsiella pneumoniae.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24371275 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lou Yuan-Chao . . 2 Wang Iren . . 3 Rajasekaran M. . . 4 Kao Yi-Fen . . 5 Ho Meng-Ru . . 6 Hsu 'Shang-Te Danny' . . 7 Chou Shan-Ho . . 8 Wu Shih-Hsiung . . 9 Chen Chinpan . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 42 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4080 _Page_last 4093 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PmrA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PmrA $PmrA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PmrA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11854.557 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; NQGDNEISVGNLRLNVTRRL VWLGETALDLTPKEYALLSR LMMKAGSPVHREILYNDIYS WDNEPATNTLEVHIHNLREK IGKSRIRTVRGFGYMLANNI DTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASN 2 2 GLN 3 3 GLY 4 4 ASP 5 5 ASN 6 6 GLU 7 7 ILE 8 8 SER 9 9 VAL 10 10 GLY 11 11 ASN 12 12 LEU 13 13 ARG 14 14 LEU 15 15 ASN 16 16 VAL 17 17 THR 18 18 ARG 19 19 ARG 20 20 LEU 21 21 VAL 22 22 TRP 23 23 LEU 24 24 GLY 25 25 GLU 26 26 THR 27 27 ALA 28 28 LEU 29 29 ASP 30 30 LEU 31 31 THR 32 32 PRO 33 33 LYS 34 34 GLU 35 35 TYR 36 36 ALA 37 37 LEU 38 38 LEU 39 39 SER 40 40 ARG 41 41 LEU 42 42 MET 43 43 MET 44 44 LYS 45 45 ALA 46 46 GLY 47 47 SER 48 48 PRO 49 49 VAL 50 50 HIS 51 51 ARG 52 52 GLU 53 53 ILE 54 54 LEU 55 55 TYR 56 56 ASN 57 57 ASP 58 58 ILE 59 59 TYR 60 60 SER 61 61 TRP 62 62 ASP 63 63 ASN 64 64 GLU 65 65 PRO 66 66 ALA 67 67 THR 68 68 ASN 69 69 THR 70 70 LEU 71 71 GLU 72 72 VAL 73 73 HIS 74 74 ILE 75 75 HIS 76 76 ASN 77 77 LEU 78 78 ARG 79 79 GLU 80 80 LYS 81 81 ILE 82 82 GLY 83 83 LYS 84 84 SER 85 85 ARG 86 86 ILE 87 87 ARG 88 88 THR 89 89 VAL 90 90 ARG 91 91 GLY 92 92 PHE 93 93 GLY 94 94 TYR 95 95 MET 96 96 LEU 97 97 ALA 98 98 ASN 99 99 ASN 100 100 ILE 101 101 ASP 102 102 THR 103 103 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 26532 PmrA 100.00 231 98.06 98.06 2.72e-64 BMRB 26535 PmrA 100.00 231 98.06 98.06 2.72e-64 PDB 2M87 "Structural Basis Of Dna Recognition By The Effector Domain Of Klebsiella Pneumoniae Pmra" 100.00 103 100.00 100.00 9.18e-68 PDB 4S04 "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" 100.00 232 98.06 98.06 2.95e-64 PDB 4S05 "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" 100.00 232 98.06 98.06 2.95e-64 DBJ BAH62495 "OmpR family response regulator in two-component regulatory system with BasS [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044" 100.00 223 100.00 100.00 2.92e-67 EMBL CCI78009 "basR [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" 100.00 223 100.00 100.00 3.12e-67 EMBL CCM81779 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" 100.00 223 100.00 100.00 2.92e-67 EMBL CCM90377 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" 100.00 223 100.00 100.00 2.92e-67 EMBL CCM95353 "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" 100.00 223 100.00 100.00 2.92e-67 EMBL CCN28862 "transcriptional regulatory protein BasR [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" 100.00 223 100.00 100.00 2.92e-67 GB ABR76243 "response regulator in two-component regulatory system with BasS (OmpR family) [Klebsiella pneumoniae subsp. pneumoniae MGH 7857" 100.00 223 100.00 100.00 2.92e-67 GB ACI11257 "transcriptional regulatory protein BasR [Klebsiella pneumoniae 342]" 100.00 223 97.09 100.00 2.96e-65 GB ADC59454 "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" 100.00 223 97.09 100.00 2.96e-65 GB AEJ97287 "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae KCTC 2242]" 100.00 223 100.00 100.00 2.92e-67 GB AEW60332 "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae subsp. pneumoniae HS11286]" 100.00 223 100.00 100.00 2.92e-67 REF WP_002895659 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 100.00 100.00 2.92e-67 REF WP_004142095 "DNA-binding response regulator [Klebsiella pneumoniae]" 100.00 223 100.00 100.00 3.12e-67 REF WP_008805743 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 97.09 100.00 2.96e-65 REF WP_016947497 "DNA-binding response regulator [Klebsiella pneumoniae]" 100.00 223 100.00 100.00 3.05e-67 REF WP_023279685 "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" 100.00 223 100.00 100.00 3.33e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PmrA enterobacteria 573 Bacteria . Klebsiella pneumoniae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PmrA 'recombinant technology' . Escherichia coli BL21(DE3) pET29(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PmrA 0.3 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PmrA 0.3 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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' 0.03 . M pH 6.0 . pH pressure ambient . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 nitrogen ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PmrA _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 ASN HA H 4.7990 0.02 1 2 1 1 ASN HB2 H 2.8430 0.02 2 3 1 1 ASN HB3 H 2.8430 0.02 2 4 1 1 ASN HD21 H 7.0140 0.02 2 5 1 1 ASN HD22 H 7.7330 0.02 2 6 1 1 ASN C C 174.8540 0.2 1 7 1 1 ASN CA C 53.2510 0.2 1 8 1 1 ASN CB C 38.9570 0.2 1 9 1 1 ASN ND2 N 113.5820 0.2 1 10 2 2 GLN H H 8.7050 0.02 1 11 2 2 GLN HA H 4.3370 0.02 1 12 2 2 GLN HB2 H 2.1600 0.02 2 13 2 2 GLN HB3 H 2.0400 0.02 2 14 2 2 GLN HG2 H 2.4100 0.02 2 15 2 2 GLN HG3 H 2.4100 0.02 2 16 2 2 GLN HE21 H 6.8890 0.02 2 17 2 2 GLN HE22 H 7.5830 0.02 2 18 2 2 GLN C C 176.3200 0.2 1 19 2 2 GLN CA C 56.2950 0.2 1 20 2 2 GLN CB C 29.2700 0.2 1 21 2 2 GLN CG C 33.7420 0.2 1 22 2 2 GLN N N 121.9900 0.2 1 23 2 2 GLN NE2 N 112.3720 0.2 1 24 3 3 GLY H H 8.5400 0.02 1 25 3 3 GLY HA2 H 4.0000 0.02 2 26 3 3 GLY HA3 H 4.0000 0.02 2 27 3 3 GLY C C 174.1160 0.2 1 28 3 3 GLY CA C 45.1150 0.2 1 29 3 3 GLY N N 110.4810 0.2 1 30 4 4 ASP H H 8.2510 0.02 1 31 4 4 ASP HA H 4.6410 0.02 1 32 4 4 ASP HB2 H 2.7500 0.02 2 33 4 4 ASP HB3 H 2.6700 0.02 2 34 4 4 ASP C C 175.9740 0.2 1 35 4 4 ASP CA C 54.4560 0.2 1 36 4 4 ASP CB C 41.1900 0.2 1 37 4 4 ASP N N 120.7500 0.2 1 38 5 5 ASN H H 8.5130 0.02 1 39 5 5 ASN HA H 4.7610 0.02 1 40 5 5 ASN HB2 H 2.9000 0.02 2 41 5 5 ASN HB3 H 2.9000 0.02 2 42 5 5 ASN HD21 H 6.8950 0.02 2 43 5 5 ASN HD22 H 7.6000 0.02 2 44 5 5 ASN C C 174.0170 0.2 1 45 5 5 ASN CA C 53.3540 0.2 1 46 5 5 ASN CB C 38.9360 0.2 1 47 5 5 ASN N N 118.4210 0.2 1 48 5 5 ASN ND2 N 111.8900 0.2 1 49 6 6 GLU H H 8.1160 0.02 1 50 6 6 GLU HA H 5.4720 0.02 1 51 6 6 GLU HB2 H 1.9260 0.02 2 52 6 6 GLU HB3 H 1.9260 0.02 2 53 6 6 GLU HG2 H 2.2600 0.02 2 54 6 6 GLU HG3 H 2.1200 0.02 2 55 6 6 GLU C C 175.8080 0.2 1 56 6 6 GLU CA C 55.0950 0.2 1 57 6 6 GLU CB C 33.0130 0.2 1 58 6 6 GLU CG C 37.2740 0.2 1 59 6 6 GLU N N 120.9050 0.2 1 60 7 7 ILE H H 8.9660 0.02 1 61 7 7 ILE HA H 4.5340 0.02 1 62 7 7 ILE HB H 1.8010 0.02 1 63 7 7 ILE HG12 H 1.5600 0.02 2 64 7 7 ILE HG13 H 1.2000 0.02 2 65 7 7 ILE HG2 H 0.9200 0.02 1 66 7 7 ILE HD1 H 0.8900 0.02 1 67 7 7 ILE C C 174.6530 0.2 1 68 7 7 ILE CA C 60.1130 0.2 1 69 7 7 ILE CB C 41.3420 0.2 1 70 7 7 ILE CG1 C 27.2080 0.2 1 71 7 7 ILE CG2 C 17.6850 0.2 1 72 7 7 ILE CD1 C 14.1540 0.2 1 73 7 7 ILE N N 122.5670 0.2 1 74 8 8 SER H H 8.7730 0.02 1 75 8 8 SER HA H 5.5360 0.02 1 76 8 8 SER HB2 H 3.7770 0.02 2 77 8 8 SER HB3 H 3.7770 0.02 2 78 8 8 SER C C 174.0820 0.2 1 79 8 8 SER CA C 57.0500 0.2 1 80 8 8 SER CB C 65.4700 0.2 1 81 8 8 SER N N 120.4460 0.2 1 82 9 9 VAL H H 8.8740 0.02 1 83 9 9 VAL HA H 4.1900 0.02 1 84 9 9 VAL HB H 1.9920 0.02 1 85 9 9 VAL HG1 H 0.9400 0.02 2 86 9 9 VAL HG2 H 0.9000 0.02 2 87 9 9 VAL C C 176.1410 0.2 1 88 9 9 VAL CA C 61.2980 0.2 1 89 9 9 VAL CB C 33.7630 0.2 1 90 9 9 VAL CG1 C 21.2010 0.2 2 91 9 9 VAL CG2 C 21.2010 0.2 2 92 9 9 VAL N N 124.8960 0.2 1 93 10 10 GLY H H 9.1140 0.02 1 94 10 10 GLY HA2 H 4.0300 0.02 2 95 10 10 GLY HA3 H 3.7400 0.02 2 96 10 10 GLY C C 174.7850 0.2 1 97 10 10 GLY CA C 47.3300 0.2 1 98 10 10 GLY N N 117.9920 0.2 1 99 11 11 ASN H H 8.6090 0.02 1 100 11 11 ASN HA H 4.6880 0.02 1 101 11 11 ASN HB2 H 3.0940 0.02 2 102 11 11 ASN HB3 H 2.8560 0.02 2 103 11 11 ASN HD21 H 6.9980 0.02 2 104 11 11 ASN HD22 H 7.6370 0.02 2 105 11 11 ASN C C 174.7650 0.2 1 106 11 11 ASN CA C 52.8780 0.2 1 107 11 11 ASN CB C 37.2770 0.2 1 108 11 11 ASN N N 124.9080 0.2 1 109 11 11 ASN ND2 N 109.9940 0.2 1 110 12 12 LEU H H 8.2560 0.02 1 111 12 12 LEU HA H 5.4150 0.02 1 112 12 12 LEU HB2 H 1.9780 0.02 2 113 12 12 LEU HB3 H 1.6600 0.02 2 114 12 12 LEU HG H 1.7200 0.02 1 115 12 12 LEU HD1 H 0.9700 0.02 2 116 12 12 LEU HD2 H 0.9700 0.02 2 117 12 12 LEU C C 175.6530 0.2 1 118 12 12 LEU CA C 53.9370 0.2 1 119 12 12 LEU CB C 44.4380 0.2 1 120 12 12 LEU CG C 25.8310 0.2 1 121 12 12 LEU CD1 C 25.6700 0.2 2 122 12 12 LEU CD2 C 25.6700 0.2 2 123 12 12 LEU N N 123.5500 0.2 1 124 13 13 ARG H H 9.1690 0.02 1 125 13 13 ARG HA H 5.2270 0.02 1 126 13 13 ARG HB2 H 1.9480 0.02 2 127 13 13 ARG HB3 H 1.8300 0.02 2 128 13 13 ARG HG2 H 1.5200 0.02 2 129 13 13 ARG HG3 H 1.4400 0.02 2 130 13 13 ARG HD2 H 3.0600 0.02 2 131 13 13 ARG HD3 H 2.9500 0.02 2 132 13 13 ARG C C 173.3940 0.2 1 133 13 13 ARG CA C 55.0170 0.2 1 134 13 13 ARG CB C 34.5070 0.2 1 135 13 13 ARG CG C 27.4620 0.2 1 136 13 13 ARG CD C 43.1510 0.2 1 137 13 13 ARG N N 124.7190 0.2 1 138 14 14 LEU H H 9.3940 0.02 1 139 14 14 LEU HA H 5.3160 0.02 1 140 14 14 LEU HB2 H 1.8810 0.02 2 141 14 14 LEU HB3 H 1.6400 0.02 2 142 14 14 LEU HG H 1.5900 0.02 1 143 14 14 LEU HD1 H 0.8400 0.02 2 144 14 14 LEU HD2 H 0.8400 0.02 2 145 14 14 LEU C C 174.8070 0.2 1 146 14 14 LEU CA C 53.8160 0.2 1 147 14 14 LEU CB C 45.8060 0.2 1 148 14 14 LEU CG C 27.3340 0.2 1 149 14 14 LEU CD1 C 26.2600 0.2 2 150 14 14 LEU CD2 C 26.2600 0.2 2 151 14 14 LEU N N 127.7430 0.2 1 152 15 15 ASN H H 9.5200 0.02 1 153 15 15 ASN HA H 5.4070 0.02 1 154 15 15 ASN HB2 H 3.1500 0.02 2 155 15 15 ASN HB3 H 3.0300 0.02 2 156 15 15 ASN HD21 H 7.7220 0.02 2 157 15 15 ASN HD22 H 8.5420 0.02 2 158 15 15 ASN C C 175.6210 0.2 1 159 15 15 ASN CA C 52.0440 0.2 1 160 15 15 ASN CB C 40.0670 0.2 1 161 15 15 ASN N N 125.5770 0.2 1 162 15 15 ASN ND2 N 115.9270 0.2 1 163 16 16 VAL H H 8.7590 0.02 1 164 16 16 VAL HA H 4.0800 0.02 1 165 16 16 VAL HB H 2.2200 0.02 1 166 16 16 VAL HG1 H 1.0400 0.02 2 167 16 16 VAL HG2 H 1.0400 0.02 2 168 16 16 VAL C C 177.9020 0.2 1 169 16 16 VAL CA C 64.4140 0.2 1 170 16 16 VAL CB C 32.2040 0.2 1 171 16 16 VAL CG1 C 21.5170 0.2 2 172 16 16 VAL CG2 C 21.5170 0.2 2 173 16 16 VAL N N 123.4780 0.2 1 174 17 17 THR H H 8.0450 0.02 1 175 17 17 THR HA H 4.3400 0.02 1 176 17 17 THR HB H 4.0800 0.02 1 177 17 17 THR HG2 H 1.2900 0.02 1 178 17 17 THR C C 176.1770 0.2 1 179 17 17 THR CA C 65.9220 0.2 1 180 17 17 THR CB C 68.8990 0.2 1 181 17 17 THR CG2 C 21.5170 0.2 1 182 17 17 THR N N 117.0040 0.2 1 183 18 18 ARG H H 8.0350 0.02 1 184 18 18 ARG HA H 4.1980 0.02 1 185 18 18 ARG HB2 H 2.0440 0.02 2 186 18 18 ARG HB3 H 1.1960 0.02 2 187 18 18 ARG HG2 H 1.7600 0.02 2 188 18 18 ARG HG3 H 1.6200 0.02 2 189 18 18 ARG HD2 H 3.2600 0.02 2 190 18 18 ARG HD3 H 3.1600 0.02 2 191 18 18 ARG C C 174.8020 0.2 1 192 18 18 ARG CA C 55.6050 0.2 1 193 18 18 ARG CB C 31.2250 0.2 1 194 18 18 ARG CG C 27.3820 0.2 1 195 18 18 ARG CD C 43.3100 0.2 1 196 18 18 ARG N N 117.5650 0.2 1 197 19 19 ARG H H 7.8770 0.02 1 198 19 19 ARG HA H 3.9140 0.02 1 199 19 19 ARG HB2 H 1.7330 0.02 2 200 19 19 ARG HB3 H 0.7540 0.02 2 201 19 19 ARG HG2 H 1.3000 0.02 2 202 19 19 ARG HG3 H 1.3000 0.02 2 203 19 19 ARG HD2 H 3.0800 0.02 2 204 19 19 ARG HD3 H 2.9800 0.02 2 205 19 19 ARG C C 174.3590 0.2 1 206 19 19 ARG CA C 56.4870 0.2 1 207 19 19 ARG CB C 26.2480 0.2 1 208 19 19 ARG CG C 27.1670 0.2 1 209 19 19 ARG CD C 43.7090 0.2 1 210 19 19 ARG N N 117.4710 0.2 1 211 20 20 LEU H H 7.5650 0.02 1 212 20 20 LEU HA H 4.5300 0.02 1 213 20 20 LEU HB2 H 1.0670 0.02 2 214 20 20 LEU HB3 H 0.6570 0.02 2 215 20 20 LEU HG H 1.2200 0.02 1 216 20 20 LEU HD1 H 0.7700 0.02 2 217 20 20 LEU HD2 H 0.6600 0.02 2 218 20 20 LEU C C 174.6190 0.2 1 219 20 20 LEU CA C 52.8540 0.2 1 220 20 20 LEU CB C 47.2470 0.2 1 221 20 20 LEU CG C 25.8160 0.2 1 222 20 20 LEU CD1 C 25.6700 0.2 2 223 20 20 LEU CD2 C 23.0780 0.2 2 224 20 20 LEU N N 118.7010 0.2 1 225 21 21 VAL H H 8.4660 0.02 1 226 21 21 VAL HA H 5.1970 0.02 1 227 21 21 VAL HB H 1.7870 0.02 1 228 21 21 VAL HG1 H 0.9500 0.02 2 229 21 21 VAL HG2 H 0.8900 0.02 2 230 21 21 VAL C C 174.0360 0.2 1 231 21 21 VAL CA C 59.8710 0.2 1 232 21 21 VAL CB C 34.4480 0.2 1 233 21 21 VAL CG1 C 22.3440 0.2 2 234 21 21 VAL CG2 C 22.3400 0.2 2 235 21 21 VAL N N 120.6360 0.2 1 236 22 22 TRP H H 9.5960 0.02 1 237 22 22 TRP HA H 5.1300 0.02 1 238 22 22 TRP HB2 H 3.0300 0.02 2 239 22 22 TRP HB3 H 3.0300 0.02 2 240 22 22 TRP HD1 H 6.7900 0.02 1 241 22 22 TRP HE1 H 10.1380 0.02 1 242 22 22 TRP HE3 H 7.5000 0.02 1 243 22 22 TRP HZ2 H 7.3800 0.02 1 244 22 22 TRP HZ3 H 6.8600 0.02 1 245 22 22 TRP HH2 H 7.0100 0.02 1 246 22 22 TRP C C 174.8770 0.2 1 247 22 22 TRP CA C 57.0670 0.2 1 248 22 22 TRP CB C 33.1370 0.2 1 249 22 22 TRP CD1 C 125.8300 0.2 1 250 22 22 TRP CE3 C 121.6200 0.2 1 251 22 22 TRP CZ2 C 114.3900 0.2 1 252 22 22 TRP CZ3 C 121.6700 0.2 1 253 22 22 TRP CH2 C 124.1000 0.2 1 254 22 22 TRP N N 126.7090 0.2 1 255 22 22 TRP NE1 N 128.5840 0.2 1 256 23 23 LEU H H 8.8340 0.02 1 257 23 23 LEU HA H 5.0340 0.02 1 258 23 23 LEU HB2 H 1.9800 0.02 2 259 23 23 LEU HB3 H 1.2200 0.02 2 260 23 23 LEU HG H 1.5100 0.02 1 261 23 23 LEU HD1 H 1.0200 0.02 2 262 23 23 LEU HD2 H 0.9700 0.02 2 263 23 23 LEU C C 177.5520 0.2 1 264 23 23 LEU CA C 53.4270 0.2 1 265 23 23 LEU CB C 43.9220 0.2 1 266 23 23 LEU CG C 27.1110 0.2 1 267 23 23 LEU CD1 C 26.2600 0.2 2 268 23 23 LEU CD2 C 24.6060 0.2 2 269 23 23 LEU N N 123.4430 0.2 1 270 24 24 GLY H H 9.4010 0.02 1 271 24 24 GLY HA2 H 4.1520 0.02 2 272 24 24 GLY HA3 H 3.8380 0.02 2 273 24 24 GLY C C 174.9150 0.2 1 274 24 24 GLY CA C 47.2200 0.2 1 275 24 24 GLY N N 117.5460 0.2 1 276 25 25 GLU H H 9.0510 0.02 1 277 25 25 GLU HA H 4.3280 0.02 1 278 25 25 GLU HB2 H 2.3100 0.02 2 279 25 25 GLU HB3 H 1.9850 0.02 2 280 25 25 GLU HG2 H 2.3000 0.02 2 281 25 25 GLU HG3 H 2.2300 0.02 2 282 25 25 GLU C C 176.3500 0.2 1 283 25 25 GLU CA C 56.4000 0.2 1 284 25 25 GLU CB C 29.8110 0.2 1 285 25 25 GLU CG C 36.2460 0.2 1 286 25 25 GLU N N 124.5650 0.2 1 287 26 26 THR H H 8.1400 0.02 1 288 26 26 THR HA H 4.3050 0.02 1 289 26 26 THR HB H 4.5370 0.02 1 290 26 26 THR HG2 H 1.3200 0.02 1 291 26 26 THR C C 173.2260 0.2 1 292 26 26 THR CA C 62.1180 0.2 1 293 26 26 THR CB C 70.3990 0.2 1 294 26 26 THR CG2 C 21.7990 0.2 1 295 26 26 THR N N 117.5380 0.2 1 296 27 27 ALA H H 8.9370 0.02 1 297 27 27 ALA HA H 4.0900 0.02 1 298 27 27 ALA HB H 1.0500 0.02 1 299 27 27 ALA C C 177.4830 0.2 1 300 27 27 ALA CA C 52.4340 0.2 1 301 27 27 ALA CB C 17.9150 0.2 1 302 27 27 ALA N N 131.1830 0.2 1 303 28 28 LEU H H 8.6630 0.02 1 304 28 28 LEU HA H 4.3360 0.02 1 305 28 28 LEU HB2 H 1.5460 0.02 2 306 28 28 LEU HB3 H 1.5460 0.02 2 307 28 28 LEU HG H 1.0900 0.02 1 308 28 28 LEU HD1 H 0.7400 0.02 2 309 28 28 LEU HD2 H 0.8300 0.02 2 310 28 28 LEU C C 176.1140 0.2 1 311 28 28 LEU CA C 53.6060 0.2 1 312 28 28 LEU CB C 43.3220 0.2 1 313 28 28 LEU CG C 26.2490 0.2 1 314 28 28 LEU CD1 C 23.5360 0.2 2 315 28 28 LEU CD2 C 23.5360 0.2 2 316 28 28 LEU N N 124.1600 0.2 1 317 29 29 ASP H H 8.6900 0.02 1 318 29 29 ASP HA H 4.7100 0.02 1 319 29 29 ASP HB2 H 2.7450 0.02 2 320 29 29 ASP HB3 H 2.5070 0.02 2 321 29 29 ASP C C 174.7210 0.2 1 322 29 29 ASP CA C 53.3240 0.2 1 323 29 29 ASP CB C 40.3360 0.2 1 324 29 29 ASP N N 124.7150 0.2 1 325 30 30 LEU H H 7.9690 0.02 1 326 30 30 LEU HA H 4.8310 0.02 1 327 30 30 LEU HB2 H 1.7500 0.02 2 328 30 30 LEU HB3 H 1.7500 0.02 2 329 30 30 LEU HG H 1.5500 0.02 1 330 30 30 LEU HD1 H 0.7300 0.02 2 331 30 30 LEU HD2 H 0.8300 0.02 2 332 30 30 LEU C C 177.9440 0.2 1 333 30 30 LEU CA C 52.9370 0.2 1 334 30 30 LEU CB C 43.9800 0.2 1 335 30 30 LEU CG C 26.8570 0.2 1 336 30 30 LEU CD1 C 23.2200 0.2 2 337 30 30 LEU CD2 C 23.2220 0.2 2 338 30 30 LEU N N 123.4720 0.2 1 339 31 31 THR H H 8.8640 0.02 1 340 31 31 THR HA H 4.7000 0.02 1 341 31 31 THR HB H 4.8000 0.02 1 342 31 31 THR HG2 H 1.3400 0.02 1 343 31 31 THR C C 173.6450 0.2 1 344 31 31 THR CA C 60.7040 0.2 1 345 31 31 THR CB C 67.8690 0.2 1 346 31 31 THR CG2 C 22.1000 0.2 1 347 31 31 THR N N 115.9690 0.2 1 348 32 32 PRO HA H 4.2800 0.02 1 349 32 32 PRO HB2 H 2.3000 0.02 2 350 32 32 PRO HB3 H 2.3000 0.02 2 351 32 32 PRO HG2 H 2.0100 0.02 2 352 32 32 PRO HG3 H 2.0100 0.02 2 353 32 32 PRO HD2 H 3.8200 0.02 2 354 32 32 PRO HD3 H 3.7400 0.02 2 355 32 32 PRO C C 178.6570 0.2 1 356 32 32 PRO CA C 66.5040 0.2 1 357 32 32 PRO CB C 31.9790 0.2 1 358 32 32 PRO CG C 28.4000 0.2 1 359 32 32 PRO CD C 50.7700 0.2 1 360 33 33 LYS H H 8.0440 0.02 1 361 33 33 LYS HA H 3.9240 0.02 1 362 33 33 LYS HB2 H 1.5200 0.02 2 363 33 33 LYS HB3 H 1.1100 0.02 2 364 33 33 LYS HG2 H 1.2600 0.02 2 365 33 33 LYS HG3 H 1.2600 0.02 2 366 33 33 LYS HD2 H 1.5700 0.02 2 367 33 33 LYS HD3 H 1.4600 0.02 2 368 33 33 LYS HE2 H 2.9700 0.02 2 369 33 33 LYS HE3 H 2.9700 0.02 2 370 33 33 LYS C C 178.0840 0.2 1 371 33 33 LYS CA C 59.6650 0.2 1 372 33 33 LYS CB C 32.5720 0.2 1 373 33 33 LYS CG C 26.9200 0.2 1 374 33 33 LYS CD C 29.6860 0.2 1 375 33 33 LYS CE C 42.3400 0.2 1 376 33 33 LYS N N 116.4170 0.2 1 377 34 34 GLU H H 7.3760 0.02 1 378 34 34 GLU HA H 3.6200 0.02 1 379 34 34 GLU HB2 H 2.4700 0.02 2 380 34 34 GLU HB3 H 2.4700 0.02 2 381 34 34 GLU HG2 H 2.4700 0.02 2 382 34 34 GLU HG3 H 2.1700 0.02 2 383 34 34 GLU C C 178.5120 0.2 1 384 34 34 GLU CA C 59.5440 0.2 1 385 34 34 GLU CB C 30.5210 0.2 1 386 34 34 GLU CG C 37.3310 0.2 1 387 34 34 GLU N N 118.2720 0.2 1 388 35 35 TYR H H 8.9500 0.02 1 389 35 35 TYR HA H 3.6970 0.02 1 390 35 35 TYR HB2 H 2.9490 0.02 2 391 35 35 TYR HB3 H 2.9490 0.02 2 392 35 35 TYR HD1 H 6.8100 0.02 3 393 35 35 TYR HD2 H 6.8100 0.02 3 394 35 35 TYR HE1 H 6.4600 0.02 3 395 35 35 TYR HE2 H 6.4600 0.02 3 396 35 35 TYR C C 177.5970 0.2 1 397 35 35 TYR CA C 62.3010 0.2 1 398 35 35 TYR CB C 37.9340 0.2 1 399 35 35 TYR CD1 C 132.3800 0.2 3 400 35 35 TYR CD2 C 132.3800 0.2 3 401 35 35 TYR CE1 C 117.5900 0.2 3 402 35 35 TYR CE2 C 117.5900 0.2 3 403 35 35 TYR N N 118.3510 0.2 1 404 36 36 ALA H H 8.1470 0.02 1 405 36 36 ALA HA H 3.7430 0.02 1 406 36 36 ALA HB H 1.5090 0.02 1 407 36 36 ALA C C 180.0610 0.2 1 408 36 36 ALA CA C 55.4130 0.2 1 409 36 36 ALA CB C 18.0620 0.2 1 410 36 36 ALA N N 123.9130 0.2 1 411 37 37 LEU H H 7.6510 0.02 1 412 37 37 LEU HA H 3.9100 0.02 1 413 37 37 LEU HB2 H 1.7600 0.02 2 414 37 37 LEU HB3 H 1.0700 0.02 2 415 37 37 LEU HG H 1.6900 0.02 1 416 37 37 LEU HD1 H 0.6600 0.02 2 417 37 37 LEU HD2 H 0.7700 0.02 2 418 37 37 LEU C C 177.7600 0.2 1 419 37 37 LEU CA C 57.3360 0.2 1 420 37 37 LEU CB C 43.0430 0.2 1 421 37 37 LEU CG C 26.2310 0.2 1 422 37 37 LEU CD1 C 26.4000 0.2 2 423 37 37 LEU CD2 C 26.4000 0.2 2 424 37 37 LEU N N 116.9240 0.2 1 425 38 38 LEU H H 8.5500 0.02 1 426 38 38 LEU HA H 3.8700 0.02 1 427 38 38 LEU HB2 H 1.5700 0.02 2 428 38 38 LEU HB3 H 1.4500 0.02 2 429 38 38 LEU HG H 1.4800 0.02 1 430 38 38 LEU HD1 H 0.8600 0.02 2 431 38 38 LEU HD2 H 0.8600 0.02 2 432 38 38 LEU C C 178.5240 0.2 1 433 38 38 LEU CA C 57.3970 0.2 1 434 38 38 LEU CB C 41.1290 0.2 1 435 38 38 LEU CG C 27.1930 0.2 1 436 38 38 LEU CD1 C 23.1370 0.2 2 437 38 38 LEU CD2 C 23.1370 0.2 2 438 38 38 LEU N N 118.2320 0.2 1 439 39 39 SER H H 8.5400 0.02 1 440 39 39 SER HA H 3.7000 0.02 1 441 39 39 SER HB2 H 3.4400 0.02 2 442 39 39 SER HB3 H 3.2800 0.02 2 443 39 39 SER C C 175.8540 0.2 1 444 39 39 SER CA C 62.1260 0.2 1 445 39 39 SER CB C 68.2270 0.2 1 446 39 39 SER N N 113.0450 0.2 1 447 40 40 ARG H H 7.1120 0.02 1 448 40 40 ARG HA H 4.0100 0.02 1 449 40 40 ARG HB2 H 2.1400 0.02 2 450 40 40 ARG HB3 H 1.8700 0.02 2 451 40 40 ARG HG2 H 1.7200 0.02 2 452 40 40 ARG HG3 H 1.5700 0.02 2 453 40 40 ARG HD2 H 3.0000 0.02 2 454 40 40 ARG HD3 H 3.0000 0.02 2 455 40 40 ARG C C 178.7310 0.2 1 456 40 40 ARG CA C 58.3110 0.2 1 457 40 40 ARG CB C 28.5250 0.2 1 458 40 40 ARG CG C 25.8970 0.2 1 459 40 40 ARG CD C 41.5060 0.2 1 460 40 40 ARG N N 121.5210 0.2 1 461 41 41 LEU H H 7.9600 0.02 1 462 41 41 LEU HA H 3.9920 0.02 1 463 41 41 LEU HB2 H 1.8730 0.02 2 464 41 41 LEU HB3 H 1.4210 0.02 2 465 41 41 LEU HG H 0.5700 0.02 1 466 41 41 LEU HD1 H 0.8200 0.02 2 467 41 41 LEU HD2 H 0.8200 0.02 2 468 41 41 LEU C C 180.0490 0.2 1 469 41 41 LEU CA C 57.8360 0.2 1 470 41 41 LEU CB C 42.0160 0.2 1 471 41 41 LEU CG C 25.9180 0.2 1 472 41 41 LEU CD1 C 23.1060 0.2 2 473 41 41 LEU CD2 C 23.1060 0.2 2 474 41 41 LEU N N 115.9390 0.2 1 475 42 42 MET H H 8.8250 0.02 1 476 42 42 MET HA H 3.8770 0.02 1 477 42 42 MET HB2 H 2.6900 0.02 2 478 42 42 MET HB3 H 2.0800 0.02 2 479 42 42 MET HG2 H 1.9000 0.02 2 480 42 42 MET HG3 H 1.9000 0.02 2 481 42 42 MET C C 178.7480 0.2 1 482 42 42 MET CA C 59.5300 0.2 1 483 42 42 MET CB C 33.4490 0.2 1 484 42 42 MET CG C 33.4800 0.2 1 485 42 42 MET N N 116.3350 0.2 1 486 43 43 MET H H 8.2500 0.02 1 487 43 43 MET HA H 4.1370 0.02 1 488 43 43 MET HB2 H 2.0800 0.02 2 489 43 43 MET HB3 H 1.9300 0.02 2 490 43 43 MET HG2 H 2.2000 0.02 2 491 43 43 MET HG3 H 2.2000 0.02 2 492 43 43 MET C C 176.8130 0.2 1 493 43 43 MET CA C 58.4050 0.2 1 494 43 43 MET CB C 32.3820 0.2 1 495 43 43 MET CG C 32.3500 0.2 1 496 43 43 MET N N 119.0000 0.2 1 497 44 44 LYS H H 7.0880 0.02 1 498 44 44 LYS HA H 4.6310 0.02 1 499 44 44 LYS HB2 H 2.1210 0.02 2 500 44 44 LYS HB3 H 1.4980 0.02 2 501 44 44 LYS HG2 H 1.4700 0.02 2 502 44 44 LYS HG3 H 1.4700 0.02 2 503 44 44 LYS HD2 H 1.7300 0.02 2 504 44 44 LYS HD3 H 1.6700 0.02 2 505 44 44 LYS HE2 H 3.0500 0.02 2 506 44 44 LYS HE3 H 3.0100 0.02 2 507 44 44 LYS C C 175.2260 0.2 1 508 44 44 LYS CA C 52.8260 0.2 1 509 44 44 LYS CB C 31.4710 0.2 1 510 44 44 LYS CG C 24.2340 0.2 1 511 44 44 LYS CD C 28.2530 0.2 1 512 44 44 LYS CE C 42.1200 0.2 1 513 44 44 LYS N N 117.7150 0.2 1 514 45 45 ALA H H 6.9520 0.02 1 515 45 45 ALA HA H 4.3190 0.02 1 516 45 45 ALA HB H 1.4950 0.02 1 517 45 45 ALA C C 178.9940 0.2 1 518 45 45 ALA CA C 54.6740 0.2 1 519 45 45 ALA CB C 19.3970 0.2 1 520 45 45 ALA N N 122.6130 0.2 1 521 46 46 GLY H H 8.9440 0.02 1 522 46 46 GLY HA2 H 4.3780 0.02 2 523 46 46 GLY HA3 H 3.7500 0.02 2 524 46 46 GLY C C 173.5470 0.2 1 525 46 46 GLY CA C 45.4660 0.2 1 526 46 46 GLY N N 109.5610 0.2 1 527 47 47 SER H H 8.7590 0.02 1 528 47 47 SER HA H 5.1300 0.02 1 529 47 47 SER HB2 H 3.8700 0.02 2 530 47 47 SER HB3 H 3.8700 0.02 2 531 47 47 SER C C 170.4810 0.2 1 532 47 47 SER CA C 55.9880 0.2 1 533 47 47 SER CB C 65.0980 0.2 1 534 47 47 SER N N 116.8860 0.2 1 535 48 48 PRO HA H 4.4180 0.02 1 536 48 48 PRO HB2 H 1.8100 0.02 2 537 48 48 PRO HB3 H 1.7180 0.02 2 538 48 48 PRO HG2 H 1.9000 0.02 2 539 48 48 PRO HG3 H 1.7700 0.02 2 540 48 48 PRO HD2 H 3.8400 0.02 2 541 48 48 PRO HD3 H 3.6600 0.02 2 542 48 48 PRO C C 175.8540 0.2 1 543 48 48 PRO CA C 62.4460 0.2 1 544 48 48 PRO CB C 32.9090 0.2 1 545 48 48 PRO CG C 27.4220 0.2 1 546 48 48 PRO CD C 50.5300 0.2 1 547 49 49 VAL H H 9.2350 0.02 1 548 49 49 VAL HA H 4.4110 0.02 1 549 49 49 VAL HB H 2.0010 0.02 1 550 49 49 VAL HG1 H 1.0700 0.02 2 551 49 49 VAL HG2 H 1.0700 0.02 2 552 49 49 VAL C C 175.1860 0.2 1 553 49 49 VAL CA C 61.4590 0.2 1 554 49 49 VAL CB C 33.4960 0.2 1 555 49 49 VAL CG1 C 22.1590 0.2 2 556 49 49 VAL CG2 C 22.1590 0.2 2 557 49 49 VAL N N 124.1730 0.2 1 558 50 50 HIS H H 8.7910 0.02 1 559 50 50 HIS HA H 3.5700 0.02 1 560 50 50 HIS HB2 H 2.8090 0.02 2 561 50 50 HIS HD2 H 6.0400 0.02 1 562 50 50 HIS HE1 H 7.6700 0.02 1 563 50 50 HIS C C 177.1300 0.2 1 564 50 50 HIS CA C 58.4530 0.2 1 565 50 50 HIS CB C 31.5420 0.2 1 566 50 50 HIS CD2 C 118.6300 0.2 1 567 50 50 HIS CE1 C 132.9700 0.2 1 568 50 50 HIS N N 128.0350 0.2 1 569 51 51 ARG H H 8.5440 0.02 1 570 51 51 ARG HA H 3.8800 0.02 1 571 51 51 ARG HB2 H 1.8200 0.02 2 572 51 51 ARG HB3 H 1.5900 0.02 2 573 51 51 ARG HG2 H 1.4600 0.02 2 574 51 51 ARG HG3 H 1.4600 0.02 2 575 51 51 ARG HD2 H 3.1300 0.02 2 576 51 51 ARG HD3 H 3.1300 0.02 2 577 51 51 ARG C C 176.7860 0.2 1 578 51 51 ARG CA C 60.0790 0.2 1 579 51 51 ARG CB C 30.1500 0.2 1 580 51 51 ARG CG C 27.4440 0.2 1 581 51 51 ARG CD C 42.9930 0.2 1 582 51 51 ARG N N 125.6310 0.2 1 583 52 52 GLU H H 10.8310 0.02 1 584 52 52 GLU HA H 4.0800 0.02 1 585 52 52 GLU HB2 H 2.0800 0.02 2 586 52 52 GLU HB3 H 2.0800 0.02 2 587 52 52 GLU HG2 H 2.3700 0.02 2 588 52 52 GLU HG3 H 2.3700 0.02 2 589 52 52 GLU C C 179.3340 0.2 1 590 52 52 GLU CA C 59.7690 0.2 1 591 52 52 GLU CB C 29.2280 0.2 1 592 52 52 GLU CG C 36.9540 0.2 1 593 52 52 GLU N N 120.9640 0.2 1 594 53 53 ILE H H 7.2390 0.02 1 595 53 53 ILE HA H 3.8710 0.02 1 596 53 53 ILE HB H 2.1600 0.02 1 597 53 53 ILE HG12 H 1.6900 0.02 2 598 53 53 ILE HG13 H 1.3400 0.02 2 599 53 53 ILE HG2 H 0.9000 0.02 1 600 53 53 ILE HD1 H 0.9800 0.02 1 601 53 53 ILE C C 178.0800 0.2 1 602 53 53 ILE CA C 63.1100 0.2 1 603 53 53 ILE CB C 37.4960 0.2 1 604 53 53 ILE CG1 C 28.5260 0.2 1 605 53 53 ILE CG2 C 16.5960 0.2 1 606 53 53 ILE CD1 C 12.2180 0.2 1 607 53 53 ILE N N 119.3370 0.2 1 608 54 54 LEU H H 7.1980 0.02 1 609 54 54 LEU HA H 4.1600 0.02 1 610 54 54 LEU HB2 H 1.9300 0.02 2 611 54 54 LEU HB3 H 1.4250 0.02 2 612 54 54 LEU HG H 1.8600 0.02 1 613 54 54 LEU HD1 H 1.0300 0.02 2 614 54 54 LEU HD2 H 1.0300 0.02 2 615 54 54 LEU C C 178.6760 0.2 1 616 54 54 LEU CA C 57.0740 0.2 1 617 54 54 LEU CB C 41.3230 0.2 1 618 54 54 LEU CG C 27.8210 0.2 1 619 54 54 LEU CD1 C 22.3630 0.2 2 620 54 54 LEU CD2 C 22.3630 0.2 2 621 54 54 LEU N N 118.5020 0.2 1 622 55 55 TYR H H 8.8720 0.02 1 623 55 55 TYR HA H 4.1350 0.02 1 624 55 55 TYR HB2 H 3.1060 0.02 2 625 55 55 TYR HB3 H 3.1060 0.02 2 626 55 55 TYR HD1 H 7.1000 0.02 3 627 55 55 TYR HD2 H 7.1000 0.02 3 628 55 55 TYR HE1 H 6.8400 0.02 3 629 55 55 TYR HE2 H 6.8400 0.02 3 630 55 55 TYR C C 177.9870 0.2 1 631 55 55 TYR CA C 61.1370 0.2 1 632 55 55 TYR CB C 38.1070 0.2 1 633 55 55 TYR CD1 C 132.5800 0.2 3 634 55 55 TYR CD2 C 132.5800 0.2 3 635 55 55 TYR CE1 C 118.3300 0.2 3 636 55 55 TYR CE2 C 118.3300 0.2 3 637 55 55 TYR N N 117.1140 0.2 1 638 56 56 ASN H H 7.7960 0.02 1 639 56 56 ASN HA H 4.4850 0.02 1 640 56 56 ASN HB2 H 3.0200 0.02 2 641 56 56 ASN HB3 H 2.9400 0.02 2 642 56 56 ASN HD21 H 7.0350 0.02 2 643 56 56 ASN HD22 H 7.7470 0.02 2 644 56 56 ASN C C 177.4390 0.2 1 645 56 56 ASN CA C 56.0130 0.2 1 646 56 56 ASN CB C 38.2900 0.2 1 647 56 56 ASN N N 116.7200 0.2 1 648 56 56 ASN ND2 N 113.0170 0.2 1 649 57 57 ASP H H 7.8420 0.02 1 650 57 57 ASP HA H 4.5400 0.02 1 651 57 57 ASP HB2 H 3.0000 0.02 2 652 57 57 ASP HB3 H 2.3800 0.02 2 653 57 57 ASP C C 177.8860 0.2 1 654 57 57 ASP CA C 57.0860 0.2 1 655 57 57 ASP CB C 40.8800 0.2 1 656 57 57 ASP N N 118.5320 0.2 1 657 58 58 ILE H H 7.2770 0.02 1 658 58 58 ILE HA H 4.3000 0.02 1 659 58 58 ILE HB H 1.8100 0.02 1 660 58 58 ILE HG12 H 1.3500 0.02 2 661 58 58 ILE HG13 H 1.2600 0.02 2 662 58 58 ILE HG2 H 0.6400 0.02 1 663 58 58 ILE HD1 H 0.7000 0.02 1 664 58 58 ILE C C 175.9160 0.2 1 665 58 58 ILE CA C 61.3400 0.2 1 666 58 58 ILE CB C 38.8300 0.2 1 667 58 58 ILE CG1 C 26.0820 0.2 1 668 58 58 ILE CG2 C 18.9700 0.2 1 669 58 58 ILE CD1 C 14.9560 0.2 1 670 58 58 ILE N N 109.9750 0.2 1 671 59 59 TYR H H 7.7880 0.02 1 672 59 59 TYR HA H 4.2960 0.02 1 673 59 59 TYR HB2 H 2.7700 0.02 2 674 59 59 TYR HB3 H 2.7700 0.02 2 675 59 59 TYR HD1 H 6.9100 0.02 3 676 59 59 TYR HD2 H 6.9100 0.02 3 677 59 59 TYR HE1 H 6.6700 0.02 3 678 59 59 TYR HE2 H 6.6700 0.02 3 679 59 59 TYR C C 176.0370 0.2 1 680 59 59 TYR CA C 59.1700 0.2 1 681 59 59 TYR CB C 38.2770 0.2 1 682 59 59 TYR CD1 C 132.9700 0.2 3 683 59 59 TYR CD2 C 132.9700 0.2 3 684 59 59 TYR CE1 C 118.0100 0.2 3 685 59 59 TYR CE2 C 118.0100 0.2 3 686 59 59 TYR N N 122.7610 0.2 1 687 60 60 SER H H 7.7210 0.02 1 688 60 60 SER HA H 4.2920 0.02 1 689 60 60 SER HB2 H 3.7100 0.02 2 690 60 60 SER HB3 H 3.6800 0.02 2 691 60 60 SER C C 174.2060 0.2 1 692 60 60 SER CA C 57.9760 0.2 1 693 60 60 SER CB C 63.8840 0.2 1 694 60 60 SER N N 117.3500 0.2 1 695 61 61 TRP H H 7.9900 0.02 1 696 61 61 TRP HA H 4.4770 0.02 1 697 61 61 TRP HB2 H 3.3700 0.02 2 698 61 61 TRP HB3 H 3.2800 0.02 2 699 61 61 TRP HD1 H 7.3200 0.02 1 700 61 61 TRP HE1 H 10.1500 0.02 1 701 61 61 TRP HE3 H 7.6600 0.02 1 702 61 61 TRP HZ2 H 7.4800 0.02 1 703 61 61 TRP HZ3 H 7.1600 0.02 1 704 61 61 TRP HH2 H 7.2200 0.02 1 705 61 61 TRP C C 175.7980 0.2 1 706 61 61 TRP CA C 57.8630 0.2 1 707 61 61 TRP CB C 28.8260 0.2 1 708 61 61 TRP CD1 C 127.2700 0.2 1 709 61 61 TRP CE3 C 121.0000 0.2 1 710 61 61 TRP CZ2 C 114.7200 0.2 1 711 61 61 TRP CZ3 C 121.7800 0.2 1 712 61 61 TRP CH2 C 124.5900 0.2 1 713 61 61 TRP N N 122.1700 0.2 1 714 61 61 TRP NE1 N 129.3030 0.2 1 715 62 62 ASP H H 7.9000 0.02 1 716 62 62 ASP HA H 4.4400 0.02 1 717 62 62 ASP HB2 H 2.5200 0.02 2 718 62 62 ASP HB3 H 2.2900 0.02 2 719 62 62 ASP C C 175.5590 0.2 1 720 62 62 ASP CA C 53.8110 0.2 1 721 62 62 ASP CB C 40.7160 0.2 1 722 62 62 ASP N N 119.1180 0.2 1 723 63 63 ASN H H 8.0800 0.02 1 724 63 63 ASN HA H 4.5460 0.02 1 725 63 63 ASN HB2 H 2.8100 0.02 2 726 63 63 ASN HB3 H 2.7300 0.02 2 727 63 63 ASN HD21 H 6.8980 0.02 2 728 63 63 ASN HD22 H 7.5460 0.02 2 729 63 63 ASN C C 174.7370 0.2 1 730 63 63 ASN CA C 53.1580 0.2 1 731 63 63 ASN CB C 38.7430 0.2 1 732 63 63 ASN N N 117.5860 0.2 1 733 63 63 ASN ND2 N 112.4020 0.2 1 734 64 64 GLU H H 8.2240 0.02 1 735 64 64 GLU HA H 4.5800 0.02 1 736 64 64 GLU HB2 H 2.0700 0.02 2 737 64 64 GLU HB3 H 1.9500 0.02 2 738 64 64 GLU HG2 H 2.3900 0.02 2 739 64 64 GLU HG3 H 2.3900 0.02 2 740 64 64 GLU C C 174.7060 0.2 1 741 64 64 GLU CA C 54.7600 0.2 1 742 64 64 GLU CB C 29.8290 0.2 1 743 64 64 GLU CG C 33.8200 0.2 1 744 64 64 GLU N N 121.8310 0.2 1 745 65 65 PRO HA H 4.3940 0.02 1 746 65 65 PRO HB2 H 2.2820 0.02 2 747 65 65 PRO HB3 H 1.9560 0.02 2 748 65 65 PRO HG2 H 2.0700 0.02 2 749 65 65 PRO HG3 H 2.0700 0.02 2 750 65 65 PRO HD2 H 3.8300 0.02 2 751 65 65 PRO HD3 H 3.7400 0.02 2 752 65 65 PRO C C 177.3120 0.2 1 753 65 65 PRO CA C 63.8240 0.2 1 754 65 65 PRO CB C 31.8710 0.2 1 755 65 65 PRO CG C 27.4040 0.2 1 756 65 65 PRO CD C 51.2000 0.2 1 757 66 66 ALA H H 8.4650 0.02 1 758 66 66 ALA HA H 4.3500 0.02 1 759 66 66 ALA HB H 1.4200 0.02 1 760 66 66 ALA C C 178.3520 0.2 1 761 66 66 ALA CA C 52.8480 0.2 1 762 66 66 ALA CB C 19.0860 0.2 1 763 66 66 ALA N N 122.7550 0.2 1 764 67 67 THR H H 8.0020 0.02 1 765 67 67 THR HA H 4.2870 0.02 1 766 67 67 THR HB H 4.2870 0.02 1 767 67 67 THR HG2 H 1.2200 0.02 1 768 67 67 THR C C 175.0400 0.2 1 769 67 67 THR CA C 62.5050 0.2 1 770 67 67 THR CB C 69.1870 0.2 1 771 67 67 THR CG2 C 21.7210 0.2 1 772 67 67 THR N N 111.0790 0.2 1 773 68 68 ASN H H 8.2800 0.02 1 774 68 68 ASN HA H 4.9790 0.02 1 775 68 68 ASN HB2 H 2.8400 0.02 2 776 68 68 ASN HB3 H 2.7600 0.02 2 777 68 68 ASN HD21 H 6.9180 0.02 2 778 68 68 ASN HD22 H 7.5700 0.02 2 779 68 68 ASN C C 175.2500 0.2 1 780 68 68 ASN CA C 53.0360 0.2 1 781 68 68 ASN CB C 38.6780 0.2 1 782 68 68 ASN N N 120.7680 0.2 1 783 68 68 ASN ND2 N 112.6440 0.2 1 784 69 69 THR H H 7.6910 0.02 1 785 69 69 THR HA H 4.4800 0.02 1 786 69 69 THR HB H 4.3900 0.02 1 787 69 69 THR HG2 H 1.3500 0.02 1 788 69 69 THR C C 175.8300 0.2 1 789 69 69 THR CA C 62.3280 0.2 1 790 69 69 THR CB C 69.9270 0.2 1 791 69 69 THR CG2 C 21.7500 0.2 1 792 69 69 THR N N 112.2880 0.2 1 793 70 70 LEU H H 8.8430 0.02 1 794 70 70 LEU HA H 4.0800 0.02 1 795 70 70 LEU HB2 H 1.9380 0.02 2 796 70 70 LEU HB3 H 1.9380 0.02 2 797 70 70 LEU HG H 1.4800 0.02 1 798 70 70 LEU HD1 H 0.8900 0.02 2 799 70 70 LEU HD2 H 1.1000 0.02 2 800 70 70 LEU C C 177.4570 0.2 1 801 70 70 LEU CA C 58.6080 0.2 1 802 70 70 LEU CB C 41.4940 0.2 1 803 70 70 LEU CG C 27.2210 0.2 1 804 70 70 LEU CD1 C 25.3040 0.2 2 805 70 70 LEU CD2 C 26.8600 0.2 2 806 70 70 LEU N N 123.3840 0.2 1 807 71 71 GLU H H 8.6520 0.02 1 808 71 71 GLU HA H 3.7050 0.02 1 809 71 71 GLU HB2 H 2.1700 0.02 2 810 71 71 GLU HB3 H 1.9690 0.02 2 811 71 71 GLU HG2 H 2.6100 0.02 2 812 71 71 GLU HG3 H 2.3800 0.02 2 813 71 71 GLU C C 179.3050 0.2 1 814 71 71 GLU CA C 61.1710 0.2 1 815 71 71 GLU CB C 28.8280 0.2 1 816 71 71 GLU CG C 38.2060 0.2 1 817 71 71 GLU N N 116.8780 0.2 1 818 72 72 VAL H H 7.5590 0.02 1 819 72 72 VAL HA H 3.6850 0.02 1 820 72 72 VAL HB H 1.9470 0.02 1 821 72 72 VAL HG1 H 0.9700 0.02 2 822 72 72 VAL HG2 H 0.7100 0.02 2 823 72 72 VAL C C 177.6800 0.2 1 824 72 72 VAL CA C 66.1110 0.2 1 825 72 72 VAL CB C 31.4670 0.2 1 826 72 72 VAL CG1 C 22.6410 0.2 2 827 72 72 VAL CG2 C 20.3300 0.2 2 828 72 72 VAL N N 121.4190 0.2 1 829 73 73 HIS H H 7.4200 0.02 1 830 73 73 HIS HA H 4.4600 0.02 1 831 73 73 HIS HB2 H 2.9730 0.02 2 832 73 73 HIS HB3 H 2.7500 0.02 2 833 73 73 HIS HD2 H 6.7500 0.02 1 834 73 73 HIS HE1 H 7.7900 0.02 1 835 73 73 HIS C C 178.6160 0.2 1 836 73 73 HIS CA C 60.2060 0.2 1 837 73 73 HIS CB C 31.2690 0.2 1 838 73 73 HIS CD2 C 120.6400 0.2 1 839 73 73 HIS CE1 C 139.5700 0.2 1 840 73 73 HIS N N 118.2720 0.2 1 841 74 74 ILE H H 8.5150 0.02 1 842 74 74 ILE HA H 3.5700 0.02 1 843 74 74 ILE HB H 1.9000 0.02 1 844 74 74 ILE HG12 H 1.3000 0.02 2 845 74 74 ILE HG13 H 0.2000 0.02 2 846 74 74 ILE HG2 H 0.4800 0.02 1 847 74 74 ILE HD1 H 0.1000 0.02 1 848 74 74 ILE C C 177.8190 0.2 1 849 74 74 ILE CA C 61.9430 0.2 1 850 74 74 ILE CB C 34.2750 0.2 1 851 74 74 ILE CG1 C 25.4500 0.2 1 852 74 74 ILE CG2 C 16.2200 0.2 1 853 74 74 ILE CD1 C 8.4500 0.2 1 854 74 74 ILE N N 118.9400 0.2 1 855 75 75 HIS H H 8.1890 0.02 1 856 75 75 HIS HA H 4.2700 0.02 1 857 75 75 HIS HB2 H 3.5400 0.02 2 858 75 75 HIS HB3 H 3.3170 0.02 2 859 75 75 HIS HD2 H 7.0000 0.02 1 860 75 75 HIS HE1 H 7.7000 0.02 1 861 75 75 HIS C C 177.4450 0.2 1 862 75 75 HIS CA C 60.1160 0.2 1 863 75 75 HIS CB C 28.8120 0.2 1 864 75 75 HIS CD2 C 120.1900 0.2 1 865 75 75 HIS CE1 C 137.9100 0.2 1 866 75 75 HIS N N 120.4840 0.2 1 867 76 76 ASN H H 8.4560 0.02 1 868 76 76 ASN HA H 4.3890 0.02 1 869 76 76 ASN HB2 H 3.1300 0.02 2 870 76 76 ASN HB3 H 2.8760 0.02 2 871 76 76 ASN HD21 H 6.8170 0.02 2 872 76 76 ASN HD22 H 8.1940 0.02 2 873 76 76 ASN C C 178.6150 0.2 1 874 76 76 ASN CA C 55.5050 0.2 1 875 76 76 ASN CB C 37.3090 0.2 1 876 76 76 ASN N N 119.0980 0.2 1 877 76 76 ASN ND2 N 111.9150 0.2 1 878 77 77 LEU H H 8.5790 0.02 1 879 77 77 LEU HA H 3.9510 0.02 1 880 77 77 LEU HB2 H 1.9090 0.02 2 881 77 77 LEU HB3 H 1.3000 0.02 2 882 77 77 LEU HG H 1.7600 0.02 1 883 77 77 LEU HD1 H 0.8400 0.02 2 884 77 77 LEU HD2 H 0.8400 0.02 2 885 77 77 LEU C C 178.9450 0.2 1 886 77 77 LEU CA C 57.9960 0.2 1 887 77 77 LEU CB C 43.1060 0.2 1 888 77 77 LEU CG C 27.3610 0.2 1 889 77 77 LEU CD1 C 25.0900 0.2 2 890 77 77 LEU CD2 C 25.0920 0.2 2 891 77 77 LEU N N 120.5170 0.2 1 892 78 78 ARG H H 8.6870 0.02 1 893 78 78 ARG HA H 3.6600 0.02 1 894 78 78 ARG HB2 H 1.7100 0.02 2 895 78 78 ARG HB3 H 1.7100 0.02 2 896 78 78 ARG HG2 H 1.6700 0.02 2 897 78 78 ARG HG3 H 1.3000 0.02 2 898 78 78 ARG HD2 H 3.3200 0.02 2 899 78 78 ARG HD3 H 3.1300 0.02 2 900 78 78 ARG C C 178.7660 0.2 1 901 78 78 ARG CA C 59.4350 0.2 1 902 78 78 ARG CB C 30.8340 0.2 1 903 78 78 ARG CG C 25.1340 0.2 1 904 78 78 ARG CD C 44.1070 0.2 1 905 78 78 ARG N N 119.5210 0.2 1 906 79 79 GLU H H 7.7170 0.02 1 907 79 79 GLU HA H 3.9290 0.02 1 908 79 79 GLU HB2 H 2.0890 0.02 2 909 79 79 GLU HB3 H 2.0890 0.02 2 910 79 79 GLU HG2 H 2.2200 0.02 2 911 79 79 GLU HG3 H 2.0400 0.02 2 912 79 79 GLU C C 178.2260 0.2 1 913 79 79 GLU CA C 58.6660 0.2 1 914 79 79 GLU CB C 29.5510 0.2 1 915 79 79 GLU CG C 36.1940 0.2 1 916 79 79 GLU N N 116.8820 0.2 1 917 80 80 LYS H H 7.4190 0.02 1 918 80 80 LYS HA H 4.2520 0.02 1 919 80 80 LYS HB2 H 1.8800 0.02 2 920 80 80 LYS HB3 H 1.7600 0.02 2 921 80 80 LYS HG2 H 1.4200 0.02 2 922 80 80 LYS HG3 H 1.4200 0.02 2 923 80 80 LYS HD2 H 1.8500 0.02 2 924 80 80 LYS HD3 H 1.8500 0.02 2 925 80 80 LYS HE2 H 3.0200 0.02 2 926 80 80 LYS HE3 H 3.0200 0.02 2 927 80 80 LYS C C 178.4130 0.2 1 928 80 80 LYS CA C 59.0610 0.2 1 929 80 80 LYS CB C 34.4380 0.2 1 930 80 80 LYS CG C 26.5950 0.2 1 931 80 80 LYS CD C 30.5260 0.2 1 932 80 80 LYS CE C 42.3000 0.2 1 933 80 80 LYS N N 116.5740 0.2 1 934 81 81 ILE H H 8.1620 0.02 1 935 81 81 ILE HA H 4.6840 0.02 1 936 81 81 ILE HB H 2.1420 0.02 1 937 81 81 ILE HG12 H 1.4800 0.02 2 938 81 81 ILE HG13 H 1.2700 0.02 2 939 81 81 ILE HG2 H 0.8300 0.02 1 940 81 81 ILE HD1 H 0.6900 0.02 1 941 81 81 ILE C C 174.9860 0.2 1 942 81 81 ILE CA C 61.1460 0.2 1 943 81 81 ILE CB C 39.2120 0.2 1 944 81 81 ILE CG1 C 24.4870 0.2 1 945 81 81 ILE CG2 C 17.6660 0.2 1 946 81 81 ILE CD1 C 14.6550 0.2 1 947 81 81 ILE N N 108.3930 0.2 1 948 82 82 GLY H H 7.8520 0.02 1 949 82 82 GLY HA2 H 4.6260 0.02 2 950 82 82 GLY HA3 H 3.6670 0.02 2 951 82 82 GLY C C 175.4190 0.2 1 952 82 82 GLY CA C 44.8560 0.2 1 953 82 82 GLY N N 113.6360 0.2 1 954 83 83 LYS H H 8.5110 0.02 1 955 83 83 LYS HA H 3.7300 0.02 1 956 83 83 LYS HB2 H 1.8690 0.02 2 957 83 83 LYS HB3 H 1.8690 0.02 2 958 83 83 LYS HG2 H 1.4600 0.02 2 959 83 83 LYS HG3 H 1.4600 0.02 2 960 83 83 LYS HD2 H 1.7200 0.02 2 961 83 83 LYS HD3 H 1.5200 0.02 2 962 83 83 LYS HE2 H 3.0400 0.02 2 963 83 83 LYS HE3 H 3.0400 0.02 2 964 83 83 LYS C C 178.1770 0.2 1 965 83 83 LYS CA C 59.9220 0.2 1 966 83 83 LYS CB C 32.3660 0.2 1 967 83 83 LYS CG C 24.9500 0.2 1 968 83 83 LYS CD C 29.6140 0.2 1 969 83 83 LYS CE C 41.9540 0.2 1 970 83 83 LYS N N 125.7320 0.2 1 971 84 84 SER H H 8.4380 0.02 1 972 84 84 SER HA H 4.3460 0.02 1 973 84 84 SER HB2 H 4.0000 0.02 2 974 84 84 SER HB3 H 3.9300 0.02 2 975 84 84 SER C C 175.0080 0.2 1 976 84 84 SER CA C 58.9350 0.2 1 977 84 84 SER CB C 63.1400 0.2 1 978 84 84 SER N N 110.8520 0.2 1 979 85 85 ARG H H 7.6560 0.02 1 980 85 85 ARG HA H 4.2300 0.02 1 981 85 85 ARG HB2 H 1.8560 0.02 2 982 85 85 ARG HB3 H 1.8560 0.02 2 983 85 85 ARG HG2 H 1.6700 0.02 2 984 85 85 ARG HG3 H 1.5000 0.02 2 985 85 85 ARG HD2 H 3.3200 0.02 2 986 85 85 ARG HD3 H 3.1900 0.02 2 987 85 85 ARG C C 176.2080 0.2 1 988 85 85 ARG CA C 57.1560 0.2 1 989 85 85 ARG CB C 30.3880 0.2 1 990 85 85 ARG CG C 27.6200 0.2 1 991 85 85 ARG CD C 42.7300 0.2 1 992 85 85 ARG N N 118.5610 0.2 1 993 86 86 ILE H H 6.8800 0.02 1 994 86 86 ILE HA H 4.8950 0.02 1 995 86 86 ILE HB H 1.5390 0.02 1 996 86 86 ILE HG12 H 1.6000 0.02 2 997 86 86 ILE HG13 H 1.6000 0.02 2 998 86 86 ILE HG2 H 0.7800 0.02 1 999 86 86 ILE HD1 H 0.6800 0.02 1 1000 86 86 ILE C C 175.5730 0.2 1 1001 86 86 ILE CA C 59.4610 0.2 1 1002 86 86 ILE CB C 39.1880 0.2 1 1003 86 86 ILE CG1 C 27.8740 0.2 1 1004 86 86 ILE CG2 C 17.7530 0.2 1 1005 86 86 ILE CD1 C 13.9950 0.2 1 1006 86 86 ILE N N 113.2000 0.2 1 1007 87 87 ARG H H 9.7860 0.02 1 1008 87 87 ARG HA H 4.7970 0.02 1 1009 87 87 ARG HB2 H 1.8990 0.02 2 1010 87 87 ARG HB3 H 1.6930 0.02 2 1011 87 87 ARG HG2 H 1.6400 0.02 2 1012 87 87 ARG HG3 H 1.6400 0.02 2 1013 87 87 ARG HD2 H 3.1900 0.02 2 1014 87 87 ARG HD3 H 3.1900 0.02 2 1015 87 87 ARG C C 176.5010 0.2 1 1016 87 87 ARG CA C 53.6640 0.2 1 1017 87 87 ARG CB C 32.0110 0.2 1 1018 87 87 ARG CG C 26.7390 0.2 1 1019 87 87 ARG CD C 42.9310 0.2 1 1020 87 87 ARG N N 128.7270 0.2 1 1021 88 88 THR H H 9.4210 0.02 1 1022 88 88 THR HA H 4.1380 0.02 1 1023 88 88 THR HB H 4.1380 0.02 1 1024 88 88 THR HG2 H 1.0900 0.02 1 1025 88 88 THR C C 173.8020 0.2 1 1026 88 88 THR CA C 63.5140 0.2 1 1027 88 88 THR CB C 68.9080 0.2 1 1028 88 88 THR CG2 C 22.5220 0.2 1 1029 88 88 THR N N 122.8210 0.2 1 1030 89 89 VAL H H 8.4000 0.02 1 1031 89 89 VAL HA H 4.1800 0.02 1 1032 89 89 VAL HB H 1.6400 0.02 1 1033 89 89 VAL HG1 H 0.7400 0.02 2 1034 89 89 VAL HG2 H 0.7400 0.02 2 1035 89 89 VAL CA C 61.3780 0.2 1 1036 89 89 VAL CB C 30.8860 0.2 1 1037 89 89 VAL CG1 C 20.0200 0.2 2 1038 89 89 VAL CG2 C 20.0200 0.2 2 1039 89 89 VAL N N 130.4000 0.2 1 1040 91 91 GLY HA2 H 4.1470 0.02 2 1041 91 91 GLY HA3 H 3.7730 0.02 2 1042 91 91 GLY C C 173.5300 0.2 1 1043 91 91 GLY CA C 45.5250 0.2 1 1044 92 92 PHE H H 8.3320 0.02 1 1045 92 92 PHE HA H 4.4410 0.02 1 1046 92 92 PHE HB2 H 2.8000 0.02 2 1047 92 92 PHE HB3 H 2.6640 0.02 2 1048 92 92 PHE HD1 H 7.0200 0.02 3 1049 92 92 PHE HD2 H 7.0200 0.02 3 1050 92 92 PHE HE1 H 7.2700 0.02 3 1051 92 92 PHE HE2 H 7.2700 0.02 3 1052 92 92 PHE HZ H 7.4400 0.02 1 1053 92 92 PHE C C 174.7440 0.2 1 1054 92 92 PHE CA C 60.0540 0.2 1 1055 92 92 PHE CB C 43.4330 0.2 1 1056 92 92 PHE CD1 C 131.5000 0.2 3 1057 92 92 PHE CD2 C 131.5000 0.2 3 1058 92 92 PHE CE1 C 131.4500 0.2 3 1059 92 92 PHE CE2 C 131.4500 0.2 3 1060 92 92 PHE CZ C 130.1700 0.2 1 1061 92 92 PHE N N 119.6010 0.2 1 1062 93 93 GLY H H 8.3770 0.02 1 1063 93 93 GLY HA2 H 4.7300 0.02 2 1064 93 93 GLY HA3 H 3.4790 0.02 2 1065 93 93 GLY C C 171.7760 0.2 1 1066 93 93 GLY CA C 46.7150 0.2 1 1067 93 93 GLY N N 105.4450 0.2 1 1068 94 94 TYR H H 8.4750 0.02 1 1069 94 94 TYR HA H 5.4300 0.02 1 1070 94 94 TYR HB2 H 2.8500 0.02 2 1071 94 94 TYR HB3 H 2.3200 0.02 2 1072 94 94 TYR HD1 H 6.7900 0.02 3 1073 94 94 TYR HD2 H 6.7900 0.02 3 1074 94 94 TYR HE1 H 6.8100 0.02 3 1075 94 94 TYR HE2 H 6.8100 0.02 3 1076 94 94 TYR C C 172.8890 0.2 1 1077 94 94 TYR CA C 57.3690 0.2 1 1078 94 94 TYR CB C 44.0520 0.2 1 1079 94 94 TYR CD1 C 132.3200 0.2 3 1080 94 94 TYR CD2 C 132.3200 0.2 3 1081 94 94 TYR CE1 C 118.7100 0.2 3 1082 94 94 TYR CE2 C 118.7100 0.2 3 1083 94 94 TYR N N 122.4710 0.2 1 1084 95 95 MET H H 8.9360 0.02 1 1085 95 95 MET HA H 4.8900 0.02 1 1086 95 95 MET HB2 H 1.7290 0.02 2 1087 95 95 MET HB3 H 1.5800 0.02 2 1088 95 95 MET HG2 H 2.1100 0.02 2 1089 95 95 MET HG3 H 1.9700 0.02 2 1090 95 95 MET C C 173.4380 0.2 1 1091 95 95 MET CA C 54.1250 0.2 1 1092 95 95 MET CB C 39.3640 0.2 1 1093 95 95 MET CG C 30.3600 0.2 1 1094 95 95 MET N N 118.6430 0.2 1 1095 96 96 LEU H H 9.8480 0.02 1 1096 96 96 LEU HA H 5.0800 0.02 1 1097 96 96 LEU HB2 H 1.8000 0.02 2 1098 96 96 LEU HB3 H 1.2100 0.02 2 1099 96 96 LEU HG H 1.7100 0.02 1 1100 96 96 LEU HD1 H 0.8300 0.02 2 1101 96 96 LEU HD2 H 0.7700 0.02 2 1102 96 96 LEU C C 174.9120 0.2 1 1103 96 96 LEU CA C 53.4820 0.2 1 1104 96 96 LEU CB C 43.7560 0.2 1 1105 96 96 LEU CG C 27.6630 0.2 1 1106 96 96 LEU CD1 C 27.6600 0.2 2 1107 96 96 LEU CD2 C 25.3570 0.2 2 1108 96 96 LEU N N 130.1940 0.2 1 1109 97 97 ALA H H 8.6810 0.02 1 1110 97 97 ALA HA H 4.3360 0.02 1 1111 97 97 ALA HB H 1.4160 0.02 1 1112 97 97 ALA C C 176.5600 0.2 1 1113 97 97 ALA CA C 51.8950 0.2 1 1114 97 97 ALA CB C 20.0110 0.2 1 1115 97 97 ALA N N 131.1680 0.2 1 1116 98 98 ASN H H 8.6540 0.02 1 1117 98 98 ASN HA H 4.6800 0.02 1 1118 98 98 ASN HB2 H 2.7800 0.02 2 1119 98 98 ASN HB3 H 2.6300 0.02 2 1120 98 98 ASN HD21 H 6.8880 0.02 2 1121 98 98 ASN HD22 H 7.6140 0.02 2 1122 98 98 ASN C C 174.9390 0.2 1 1123 98 98 ASN CA C 52.4290 0.2 1 1124 98 98 ASN CB C 38.9120 0.2 1 1125 98 98 ASN N N 118.2680 0.2 1 1126 98 98 ASN ND2 N 110.9070 0.2 1 1127 99 99 ASN H H 8.1310 0.02 1 1128 99 99 ASN HA H 4.8000 0.02 1 1129 99 99 ASN HB2 H 2.8000 0.02 2 1130 99 99 ASN HB3 H 2.8000 0.02 2 1131 99 99 ASN HD21 H 6.9140 0.02 2 1132 99 99 ASN HD22 H 7.6690 0.02 2 1133 99 99 ASN C C 174.7440 0.2 1 1134 99 99 ASN CA C 53.0480 0.2 1 1135 99 99 ASN CB C 39.0390 0.2 1 1136 99 99 ASN N N 117.4880 0.2 1 1137 99 99 ASN ND2 N 113.2660 0.2 1 1138 100 100 ILE H H 8.1390 0.02 1 1139 100 100 ILE HA H 4.2400 0.02 1 1140 100 100 ILE HB H 1.9110 0.02 1 1141 100 100 ILE HG12 H 1.4100 0.02 2 1142 100 100 ILE HG13 H 1.1300 0.02 2 1143 100 100 ILE HG2 H 0.8900 0.02 1 1144 100 100 ILE HD1 H 0.8500 0.02 1 1145 100 100 ILE C C 175.7690 0.2 1 1146 100 100 ILE CA C 61.0040 0.2 1 1147 100 100 ILE CB C 38.6790 0.2 1 1148 100 100 ILE CG1 C 26.9280 0.2 1 1149 100 100 ILE CG2 C 17.7530 0.2 1 1150 100 100 ILE CD1 C 13.3380 0.2 1 1151 100 100 ILE N N 118.8810 0.2 1 1152 101 101 ASP H H 8.4260 0.02 1 1153 101 101 ASP HA H 4.7200 0.02 1 1154 101 101 ASP HB2 H 2.7600 0.02 2 1155 101 101 ASP HB3 H 2.6600 0.02 2 1156 101 101 ASP C C 176.2100 0.2 1 1157 101 101 ASP CA C 54.5130 0.2 1 1158 101 101 ASP CB C 41.2210 0.2 1 1159 101 101 ASP N N 123.5160 0.2 1 1160 102 102 THR H H 8.0450 0.02 1 1161 102 102 THR HA H 4.3600 0.02 1 1162 102 102 THR HB H 4.3000 0.02 1 1163 102 102 THR HG2 H 1.2100 0.02 1 1164 102 102 THR C C 173.7330 0.2 1 1165 102 102 THR CA C 61.4770 0.2 1 1166 102 102 THR CB C 69.7880 0.2 1 1167 102 102 THR CG2 C 21.5270 0.2 1 1168 102 102 THR N N 113.3580 0.2 1 1169 103 103 GLU H H 8.0440 0.02 1 1170 103 103 GLU HA H 4.1400 0.02 1 1171 103 103 GLU HB2 H 2.0800 0.02 2 1172 103 103 GLU HB3 H 1.9300 0.02 2 1173 103 103 GLU HG2 H 2.2400 0.02 2 1174 103 103 GLU HG3 H 2.2400 0.02 2 1175 103 103 GLU C C 181.0700 0.2 1 1176 103 103 GLU CA C 58.2510 0.2 1 1177 103 103 GLU CB C 31.2390 0.2 1 1178 103 103 GLU CG C 36.6000 0.2 1 1179 103 103 GLU N N 128.0310 0.2 1 stop_ save_