data_15566 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; POLYMERASE LAMBDA BRCT DOMAIN ; _BMRB_accession_number 15566 _BMRB_flat_file_name bmr15566.str _Entry_type original _Submission_date 2007-11-27 _Accession_date 2007-11-27 _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 Mueller Geoffrey A. . 2 Moon Andrea F. . 3 Derose Eugene F. . 4 Pederson Lars C. . 5 London Robert E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 463 "13C chemical shifts" 320 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-29 update BMRB 'complete entry citation' 2008-07-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A comparison of BRCT domains involved in nonhomologous end-joining: Introducing the solution structure of the BRCT domain of polymerase lambda' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18585102 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mueller G. A. . 2 Moon A. F. . 3 Derose E. F. . 4 Havener J. M. . 5 Ramsden D. A. . 6 Pedersen L. C. . 7 London R. E. . stop_ _Journal_abbreviation 'DNA Repair (Amst).' _Journal_volume 7 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1340 _Page_last 1351 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BRCT domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA POLYMERASE LAMBDA' $DNA_POLYMERASE_LAMBDA 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_DNA_POLYMERASE_LAMBDA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DNA_POLYMERASE_LAMBDA _Molecular_mass 11648.480 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GSNSGEEAEEWLSSLRAHVV RTGIGRARAELFEKQIVQHG GQLCPAQGPGVTHIVVDEGM DYERALRLLRLPQLPPGAQL VKSAWLSLCLQERRLVDVAG FSIFIP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 SER 5 GLY 6 GLU 7 GLU 8 ALA 9 GLU 10 GLU 11 TRP 12 LEU 13 SER 14 SER 15 LEU 16 ARG 17 ALA 18 HIS 19 VAL 20 VAL 21 ARG 22 THR 23 GLY 24 ILE 25 GLY 26 ARG 27 ALA 28 ARG 29 ALA 30 GLU 31 LEU 32 PHE 33 GLU 34 LYS 35 GLN 36 ILE 37 VAL 38 GLN 39 HIS 40 GLY 41 GLY 42 GLN 43 LEU 44 CYS 45 PRO 46 ALA 47 GLN 48 GLY 49 PRO 50 GLY 51 VAL 52 THR 53 HIS 54 ILE 55 VAL 56 VAL 57 ASP 58 GLU 59 GLY 60 MET 61 ASP 62 TYR 63 GLU 64 ARG 65 ALA 66 LEU 67 ARG 68 LEU 69 LEU 70 ARG 71 LEU 72 PRO 73 GLN 74 LEU 75 PRO 76 PRO 77 GLY 78 ALA 79 GLN 80 LEU 81 VAL 82 LYS 83 SER 84 ALA 85 TRP 86 LEU 87 SER 88 LEU 89 CYS 90 LEU 91 GLN 92 GLU 93 ARG 94 ARG 95 LEU 96 VAL 97 ASP 98 VAL 99 ALA 100 GLY 101 PHE 102 SER 103 ILE 104 PHE 105 ILE 106 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JW5 "Polymerase Lambda Brct Domain" 100.00 106 100.00 100.00 6.41e-69 DBJ BAB13852 "unnamed protein product [Homo sapiens]" 96.23 515 100.00 100.00 3.27e-62 DBJ BAE02437 "unnamed protein product [Macaca fascicularis]" 96.23 575 98.04 99.02 1.35e-60 DBJ BAF84914 "unnamed protein product [Homo sapiens]" 96.23 483 100.00 100.00 2.27e-62 DBJ BAG10573 "DNA polymerase lambda [synthetic construct]" 96.23 575 100.00 100.00 7.06e-62 DBJ BAK63678 "DNA polymerase lambda [Pan troglodytes]" 96.23 575 100.00 100.00 7.13e-62 EMBL CAB65074 "DNA polymerase lambda [Homo sapiens]" 96.23 575 100.00 100.00 7.06e-62 GB AAF27541 "DNA polymerase lambda [Homo sapiens]" 96.23 575 100.00 100.00 7.06e-62 GB AAG22519 "DNA polymerase beta2 [Homo sapiens]" 96.23 575 100.00 100.00 8.35e-62 GB AAH68529 "POLL protein [Homo sapiens]" 96.23 575 100.00 100.00 6.56e-62 GB AAM77696 "polymerase (DNA directed), lambda [Homo sapiens]" 96.23 575 100.00 100.00 7.06e-62 GB AAQ74388 "DNA polymerase lamda2 [Homo sapiens]" 96.23 483 100.00 100.00 3.06e-62 REF NP_001167555 "DNA polymerase lambda isoform a [Homo sapiens]" 96.23 575 100.00 100.00 7.06e-62 REF NP_001167556 "DNA polymerase lambda isoform b [Homo sapiens]" 96.23 483 100.00 100.00 2.27e-62 REF NP_001253835 "DNA polymerase lambda [Macaca mulatta]" 96.23 575 98.04 99.02 1.48e-60 REF NP_001267179 "DNA polymerase lambda [Pan troglodytes]" 96.23 575 100.00 100.00 7.13e-62 REF NP_001270218 "DNA polymerase lambda [Macaca fascicularis]" 96.23 575 98.04 99.02 1.35e-60 SP Q4R380 "RecName: Full=DNA polymerase lambda; Short=Pol Lambda" 96.23 575 98.04 99.02 1.35e-60 SP Q9UGP5 "RecName: Full=DNA polymerase lambda; Short=Pol Lambda; AltName: Full=DNA polymerase beta-2; Short=Pol beta2; AltName: Full=DNA " 96.23 575 100.00 100.00 7.06e-62 stop_ 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 $DNA_POLYMERASE_LAMBDA HUMAN 9606 Eukaryota Metazoa Homo Sapiens POLL 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 $DNA_POLYMERASE_LAMBDA 'recombinant technology' . ESCHERICHIA COLI . PET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '10 UM DSS, 25 MM TRIS, 75 MM SODIUM CHLORIDE, 1 MM [U-2H] DTT, 0.2 MM EDTA, 90% H2O/10% D2O; 10 UM DSS, 25 MM TRIS, 75 MM SODIUM CHLORIDE, 1 MM [U- 2H] DTT, 0.2 MM EDTA, 90% H2O/ 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_POLYMERASE_LAMBDA 25 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' DSS 10 uM 'natural abundance' EDTA 0.2 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ save_RDC_sample _Saveframe_category sample _Sample_type 'filamentous virus' _Details '10 UM DSS, 25 MM TRIS, 75 MM SODIUM CHLORIDE, 1 MM [U-2H] DTT, 0.2 MM EDTA, 90% H2O/10% D2O; 10 UM DSS, 25 MM TRIS, 75 MM SODIUM CHLORIDE, 1 MM [U- 2H] DTT, 0.2 MM EDTA, 90% H2O/ 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_POLYMERASE_LAMBDA 25 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' DSS 10 uM 'natural abundance' EDTA 0.2 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'SCHWIETERS, C.D. ET AL.' . . stop_ loop_ _Task refinement stop_ _Details . save_ 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' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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 VARIAN _Model INOVA _Field_strength 500 _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 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_C(CO)_NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO) NH' _Sample_label $sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample save_ save_3D_1H-_13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H- 13C NOESY' _Sample_label $sample save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $RDC_sample 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' 0.075 . M pH 7.5 . pH pressure 1 . atm temperature 283 . 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 'methly protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methly protons' ppm 0 internal direct . . . 1 DSS N 15 'methly protons' ppm 0 internal indirect . . . 0.101399118 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' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO) NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H- 13C NOESY' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA POLYMERASE LAMBDA' _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 4 4 SER HA H 4.4510 . 1 2 4 4 SER HB2 H 3.9160 . 2 3 4 4 SER CA C 58.7850 . 1 4 4 4 SER CB C 63.6480 . 1 5 5 5 GLY H H 8.6350 . 1 6 5 5 GLY HA2 H 4.0140 . 2 7 5 5 GLY CA C 45.4260 . 1 8 5 5 GLY N N 111.4380 . 1 9 6 6 GLU H H 8.3490 . 1 10 6 6 GLU HA H 4.3260 . 1 11 6 6 GLU HB2 H 2.2710 . 2 12 6 6 GLU HB3 H 1.9400 . 2 13 6 6 GLU HG2 H 2.1150 . 2 14 6 6 GLU CA C 56.5730 . 1 15 6 6 GLU CB C 30.2290 . 1 16 6 6 GLU CG C 36.2130 . 1 17 6 6 GLU N N 120.6120 . 1 18 7 7 GLU H H 8.6700 . 1 19 7 7 GLU HA H 4.2750 . 1 20 7 7 GLU HB2 H 2.1130 . 2 21 7 7 GLU HB3 H 1.9980 . 2 22 7 7 GLU HG2 H 2.3280 . 2 23 7 7 GLU CA C 56.8700 . 1 24 7 7 GLU CB C 30.0060 . 1 25 7 7 GLU CG C 36.1830 . 1 26 7 7 GLU N N 121.9620 . 1 27 8 8 ALA H H 8.4860 . 1 28 8 8 ALA HA H 4.3690 . 1 29 8 8 ALA HB H 1.4700 . 1 30 8 8 ALA CA C 52.9150 . 1 31 8 8 ALA CB C 19.2780 . 1 32 8 8 ALA N N 124.9060 . 1 33 9 9 GLU H H 8.5090 . 1 34 9 9 GLU HA H 4.6430 . 1 35 9 9 GLU HB2 H 2.0410 . 2 36 9 9 GLU HB3 H 2.3840 . 2 37 9 9 GLU HG2 H 2.4490 . 2 38 9 9 GLU CA C 56.2230 . 1 39 9 9 GLU CB C 30.6670 . 1 40 9 9 GLU CG C 36.0590 . 1 41 9 9 GLU N N 118.5560 . 1 42 10 10 GLU H H 8.4530 . 1 43 10 10 GLU HA H 4.3090 . 1 44 10 10 GLU HG2 H 2.2530 . 2 45 10 10 GLU HG3 H 2.0490 . 2 46 10 10 GLU CA C 55.7150 . 1 47 10 10 GLU CB C 28.6330 . 1 48 10 10 GLU CG C 36.2400 . 1 49 10 10 GLU N N 120.9050 . 1 50 11 11 TRP H H 6.9940 . 1 51 11 11 TRP HA H 4.6630 . 1 52 11 11 TRP HB2 H 3.5120 . 2 53 11 11 TRP HB3 H 3.2700 . 2 54 11 11 TRP HD1 H 7.3000 . 1 55 11 11 TRP HE1 H 9.8900 . 1 56 11 11 TRP HE3 H 6.5910 . 1 57 11 11 TRP HH2 H 6.6010 . 1 58 11 11 TRP HZ2 H 6.6560 . 1 59 11 11 TRP HZ3 H 6.4020 . 1 60 11 11 TRP CA C 56.9220 . 1 61 11 11 TRP CB C 27.7750 . 1 62 11 11 TRP CD1 C 128.4740 . 1 63 11 11 TRP CE3 C 118.3540 . 1 64 11 11 TRP CH2 C 124.3490 . 1 65 11 11 TRP CZ2 C 113.2440 . 1 66 11 11 TRP CZ3 C 121.5090 . 1 67 11 11 TRP N N 116.4450 . 1 68 11 11 TRP NE1 N 132.2990 . 1 69 12 12 LEU H H 8.0940 . 1 70 12 12 LEU HA H 4.6510 . 1 71 12 12 LEU HD1 H 0.6350 . 2 72 12 12 LEU HD2 H 0.5630 . 2 73 12 12 LEU HG H 1.0300 . 1 74 12 12 LEU CA C 53.3370 . 1 75 12 12 LEU CB C 39.9840 . 1 76 12 12 LEU CD1 C 23.0080 . 2 77 12 12 LEU CD2 C 25.8910 . 2 78 12 12 LEU CG C 25.9800 . 1 79 12 12 LEU N N 118.7830 . 1 80 13 13 SER H H 7.6670 . 1 81 13 13 SER HA H 4.1380 . 1 82 13 13 SER HB2 H 4.0800 . 2 83 13 13 SER CA C 61.0430 . 1 84 13 13 SER CB C 63.0830 . 1 85 13 13 SER N N 114.2940 . 1 86 14 14 SER H H 8.5830 . 1 87 14 14 SER HA H 4.3970 . 1 88 14 14 SER HB2 H 4.0730 . 2 89 14 14 SER HB3 H 3.9340 . 2 90 14 14 SER CA C 59.6000 . 1 91 14 14 SER CB C 63.4100 . 1 92 14 14 SER N N 116.0340 . 1 93 15 15 LEU H H 8.1800 . 1 94 15 15 LEU HA H 4.3490 . 1 95 15 15 LEU HB2 H 1.9570 . 2 96 15 15 LEU HD1 H 0.7900 . 2 97 15 15 LEU HG H 1.5590 . 1 98 15 15 LEU CA C 56.4220 . 1 99 15 15 LEU CB C 43.1380 . 1 100 15 15 LEU CD1 C 24.8460 . 2 101 15 15 LEU CG C 26.6070 . 1 102 15 15 LEU N N 125.3390 . 1 103 16 16 ARG H H 9.0870 . 1 104 16 16 ARG HA H 4.8590 . 1 105 16 16 ARG HB2 H 1.8320 . 2 106 16 16 ARG HB3 H 2.1660 . 2 107 16 16 ARG HD2 H 3.2070 . 2 108 16 16 ARG HG2 H 1.5510 . 2 109 16 16 ARG CB C 30.2000 . 1 110 16 16 ARG CG C 27.2620 . 1 111 16 16 ARG N N 129.9490 . 1 112 17 17 ALA H H 9.0080 . 1 113 17 17 ALA HA H 5.7750 . 1 114 17 17 ALA HB H 1.2860 . 1 115 17 17 ALA CA C 50.6400 . 1 116 17 17 ALA CB C 23.1340 . 1 117 17 17 ALA N N 125.3160 . 1 118 18 18 HIS H H 8.4510 . 1 119 18 18 HIS HA H 5.0860 . 1 120 18 18 HIS HB2 H 2.8840 . 2 121 18 18 HIS HB3 H 3.0860 . 2 122 18 18 HIS HD2 H 6.9230 . 1 123 18 18 HIS CA C 55.5050 . 1 124 18 18 HIS CB C 31.7290 . 1 125 18 18 HIS CD2 C 118.4120 . 1 126 18 18 HIS N N 118.8270 . 1 127 19 19 VAL H H 8.9070 . 1 128 19 19 VAL HA H 4.1450 . 1 129 19 19 VAL HB H 2.0070 . 1 130 19 19 VAL HG1 H 0.6560 . 2 131 19 19 VAL HG2 H 0.8410 . 2 132 19 19 VAL CA C 61.4400 . 1 133 19 19 VAL CG1 C 21.0700 . 2 134 19 19 VAL CG2 C 21.5660 . 2 135 19 19 VAL N N 128.5120 . 1 136 20 20 VAL H H 8.5650 . 1 137 20 20 VAL HA H 3.8820 . 1 138 20 20 VAL HB H 2.4860 . 1 139 20 20 VAL HG1 H 1.0910 . 2 140 20 20 VAL HG2 H 1.1350 . 2 141 20 20 VAL CA C 62.9560 . 1 142 20 20 VAL CB C 31.6580 . 1 143 20 20 VAL CG1 C 23.7000 . 2 144 20 20 VAL CG2 C 21.4500 . 2 145 20 20 VAL N N 128.6940 . 1 146 21 21 ARG H H 8.6470 . 1 147 21 21 ARG HA H 3.7830 . 1 148 21 21 ARG CA C 59.4590 . 1 149 21 21 ARG CB C 30.7680 . 1 150 21 21 ARG N N 125.9120 . 1 151 23 23 GLY HA2 H 4.5160 . 2 152 23 23 GLY HA3 H 3.4870 . 2 153 23 23 GLY CA C 45.9820 . 1 154 24 24 ILE H H 7.5160 . 1 155 24 24 ILE HA H 3.9740 . 1 156 24 24 ILE HB H 1.8920 . 1 157 24 24 ILE HD1 H 0.8860 . 1 158 24 24 ILE HG12 H 1.1950 . 2 159 24 24 ILE HG2 H 1.0450 . 1 160 24 24 ILE CA C 64.4440 . 1 161 24 24 ILE CB C 39.1710 . 1 162 24 24 ILE CD1 C 13.5700 . 1 163 24 24 ILE CG1 C 29.2080 . 1 164 24 24 ILE CG2 C 17.2300 . 1 165 24 24 ILE N N 122.1830 . 1 166 25 25 GLY H H 8.4440 . 1 167 25 25 GLY HA2 H 4.5060 . 2 168 25 25 GLY HA3 H 3.7940 . 2 169 25 25 GLY CA C 44.0260 . 1 170 25 25 GLY N N 108.3080 . 1 171 26 26 ARG HA H 3.7490 . 1 172 26 26 ARG HB2 H 1.8760 . 2 173 26 26 ARG HD2 H 3.1880 . 2 174 26 26 ARG HG2 H 1.6290 . 2 175 26 26 ARG HG3 H 1.5140 . 2 176 26 26 ARG CA C 61.0070 . 1 177 26 26 ARG CB C 29.9920 . 1 178 26 26 ARG CD C 43.2070 . 1 179 26 26 ARG CG C 26.8730 . 1 180 27 27 ALA H H 8.5820 . 1 181 27 27 ALA HA H 4.0630 . 1 182 27 27 ALA HB H 1.4480 . 1 183 27 27 ALA CA C 55.4470 . 1 184 27 27 ALA CB C 17.7100 . 1 185 27 27 ALA N N 120.2230 . 1 186 28 28 ARG H H 8.5080 . 1 187 28 28 ARG HA H 3.7630 . 1 188 28 28 ARG CA C 58.5670 . 1 189 28 28 ARG N N 118.8820 . 1 190 29 29 ALA H H 8.4450 . 1 191 29 29 ALA HA H 3.9760 . 1 192 29 29 ALA HB H 1.3960 . 1 193 29 29 ALA CA C 56.0670 . 1 194 29 29 ALA CB C 18.6100 . 1 195 29 29 ALA N N 121.5980 . 1 196 30 30 GLU H H 8.5500 . 1 197 30 30 GLU HA H 3.9680 . 1 198 30 30 GLU HB2 H 2.1260 . 2 199 30 30 GLU HB3 H 1.9630 . 2 200 30 30 GLU HG2 H 2.5730 . 2 201 30 30 GLU HG3 H 2.2450 . 2 202 30 30 GLU CA C 59.4440 . 1 203 30 30 GLU CB C 29.3200 . 1 204 30 30 GLU CG C 37.2770 . 1 205 30 30 GLU N N 116.4490 . 1 206 31 31 LEU H H 7.4950 . 1 207 31 31 LEU HA H 4.2080 . 1 208 31 31 LEU HB2 H 1.6850 . 2 209 31 31 LEU HD1 H 0.8830 . 2 210 31 31 LEU HD2 H 0.7900 . 2 211 31 31 LEU HG H 1.4930 . 1 212 31 31 LEU CA C 58.0840 . 1 213 31 31 LEU CB C 41.0790 . 1 214 31 31 LEU CD1 C 23.6260 . 2 215 31 31 LEU CD2 C 24.8570 . 2 216 31 31 LEU CG C 27.0050 . 1 217 31 31 LEU N N 121.2690 . 1 218 32 32 PHE H H 8.2840 . 1 219 32 32 PHE HA H 4.5990 . 1 220 32 32 PHE HB2 H 3.4220 . 2 221 32 32 PHE HB3 H 2.8490 . 2 222 32 32 PHE HD1 H 7.0190 . 3 223 32 32 PHE HE1 H 7.1700 . 3 224 32 32 PHE CA C 59.0220 . 1 225 32 32 PHE CB C 38.4920 . 1 226 32 32 PHE CD1 C 130.3840 . 3 227 32 32 PHE CE1 C 130.5150 . 3 228 32 32 PHE N N 118.4900 . 1 229 33 33 GLU H H 8.6350 . 1 230 33 33 GLU HA H 3.7710 . 1 231 33 33 GLU HB2 H 2.2890 . 2 232 33 33 GLU HB3 H 2.0700 . 2 233 33 33 GLU HG2 H 2.7750 . 2 234 33 33 GLU CA C 60.4130 . 1 235 33 33 GLU CB C 29.3940 . 1 236 33 33 GLU CG C 37.6170 . 1 237 33 33 GLU N N 117.1610 . 1 238 34 34 LYS H H 8.0160 . 1 239 34 34 LYS HA H 3.9690 . 1 240 34 34 LYS HB2 H 2.0160 . 2 241 34 34 LYS HD2 H 1.6450 . 2 242 34 34 LYS HE2 H 2.9290 . 2 243 34 34 LYS HG2 H 1.4120 . 2 244 34 34 LYS CA C 59.3330 . 1 245 34 34 LYS CB C 32.5030 . 1 246 34 34 LYS CD C 29.3450 . 1 247 34 34 LYS CE C 41.9150 . 1 248 34 34 LYS CG C 25.0970 . 1 249 34 34 LYS N N 118.8470 . 1 250 35 35 GLN H H 8.3390 . 1 251 35 35 GLN HA H 4.0030 . 1 252 35 35 GLN HG2 H 2.6370 . 2 253 35 35 GLN HG3 H 2.3960 . 2 254 35 35 GLN CB C 29.5890 . 1 255 35 35 GLN CG C 34.8810 . 1 256 35 35 GLN N N 118.9680 . 1 257 36 36 ILE H H 8.5690 . 1 258 36 36 ILE HA H 3.3960 . 1 259 36 36 ILE HD1 H 0.5490 . 1 260 36 36 ILE HG2 H 0.5780 . 1 261 36 36 ILE CA C 65.6750 . 1 262 36 36 ILE CB C 38.1890 . 1 263 36 36 ILE CD1 C 13.5240 . 1 264 36 36 ILE CG2 C 17.1030 . 1 265 36 36 ILE N N 119.2450 . 1 266 37 37 VAL H H 7.2410 . 1 267 37 37 VAL HA H 3.8490 . 1 268 37 37 VAL HG1 H 0.9560 . 2 269 37 37 VAL HG2 H 1.0320 . 2 270 37 37 VAL CA C 64.7310 . 1 271 37 37 VAL CG1 C 21.0300 . 2 272 37 37 VAL CG2 C 22.2450 . 2 273 37 37 VAL N N 117.3550 . 1 274 38 38 GLN H H 8.2920 . 1 275 38 38 GLN HA H 3.8750 . 1 276 38 38 GLN CA C 58.2070 . 1 277 38 38 GLN CB C 28.1730 . 1 278 38 38 GLN N N 122.0540 . 1 279 39 39 HIS H H 6.8980 . 1 280 39 39 HIS HA H 4.6860 . 1 281 39 39 HIS HB2 H 2.0130 . 2 282 39 39 HIS HD2 H 6.7700 . 1 283 39 39 HIS CA C 54.8330 . 1 284 39 39 HIS CB C 27.2570 . 1 285 39 39 HIS CD2 C 124.9300 . 1 286 39 39 HIS N N 112.8190 . 1 287 40 40 GLY H H 7.4460 . 1 288 40 40 GLY HA2 H 3.8960 . 2 289 40 40 GLY HA3 H 3.7430 . 2 290 40 40 GLY CA C 45.8010 . 1 291 40 40 GLY N N 105.7900 . 1 292 41 41 GLY H H 8.2390 . 1 293 41 41 GLY HA2 H 3.1810 . 2 294 41 41 GLY HA3 H 4.4260 . 2 295 41 41 GLY CA C 44.8650 . 1 296 41 41 GLY N N 108.8390 . 1 297 42 42 GLN H H 7.9460 . 1 298 42 42 GLN HA H 4.7870 . 1 299 42 42 GLN HG2 H 2.3950 . 2 300 42 42 GLN CA C 53.6960 . 1 301 42 42 GLN CB C 33.3690 . 1 302 42 42 GLN CG C 33.6700 . 1 303 42 42 GLN N N 114.3490 . 1 304 43 43 LEU H H 8.6050 . 1 305 43 43 LEU HA H 5.6340 . 1 306 43 43 LEU HB2 H 1.7230 . 2 307 43 43 LEU HD1 H 0.9180 . 2 308 43 43 LEU HG H 1.5760 . 1 309 43 43 LEU CA C 52.7050 . 1 310 43 43 LEU CB C 42.5400 . 1 311 43 43 LEU CD1 C 22.1800 . 2 312 43 43 LEU CG C 25.5550 . 1 313 43 43 LEU N N 120.7340 . 1 314 44 44 CYS H H 8.6590 . 1 315 44 44 CYS HA H 5.1130 . 1 316 44 44 CYS HB2 H 2.7600 . 2 317 44 44 CYS HB3 H 2.5720 . 2 318 44 44 CYS CA C 55.5120 . 1 319 44 44 CYS CB C 30.3510 . 1 320 44 44 CYS N N 120.0950 . 1 321 45 45 PRO HA H 4.5540 . 1 322 45 45 PRO HB2 H 2.4320 . 2 323 45 45 PRO HD2 H 3.6750 . 2 324 45 45 PRO HG2 H 1.9720 . 2 325 45 45 PRO CA C 62.5650 . 1 326 45 45 PRO CB C 32.2890 . 1 327 45 45 PRO CD C 51.2320 . 1 328 45 45 PRO CG C 27.7480 . 1 329 46 46 ALA H H 8.0410 . 1 330 46 46 ALA HA H 3.4910 . 1 331 46 46 ALA HB H 1.0270 . 1 332 46 46 ALA CA C 54.3920 . 1 333 46 46 ALA CB C 19.0530 . 1 334 46 46 ALA N N 124.4480 . 1 335 47 47 GLN H H 7.4480 . 1 336 47 47 GLN HA H 4.3000 . 1 337 47 47 GLN HB2 H 2.0000 . 2 338 47 47 GLN HG2 H 2.4130 . 2 339 47 47 GLN HG3 H 2.2640 . 2 340 47 47 GLN CA C 55.1960 . 1 341 47 47 GLN CB C 28.0000 . 1 342 47 47 GLN CG C 33.9200 . 1 343 47 47 GLN N N 108.2080 . 1 344 48 48 GLY H H 7.8250 . 1 345 48 48 GLY HA2 H 4.2480 . 2 346 48 48 GLY HA3 H 3.5630 . 2 347 48 48 GLY CA C 44.2370 . 1 348 48 48 GLY N N 109.8240 . 1 349 49 49 PRO HA H 4.2320 . 1 350 50 50 GLY HA2 H 3.9750 . 2 351 50 50 GLY HA3 H 3.7800 . 2 352 50 50 GLY CA C 46.3630 . 1 353 51 51 VAL H H 6.8470 . 1 354 51 51 VAL HA H 4.0810 . 1 355 51 51 VAL HB H 1.8610 . 1 356 51 51 VAL HG1 H 0.8550 . 2 357 51 51 VAL CA C 61.0870 . 1 358 51 51 VAL CB C 32.7710 . 1 359 51 51 VAL CG1 C 22.9710 . 2 360 51 51 VAL N N 117.8980 . 1 361 52 52 THR H H 9.9900 . 1 362 52 52 THR HA H 4.5050 . 1 363 52 52 THR HB H 4.3150 . 1 364 52 52 THR HG2 H 1.3990 . 1 365 52 52 THR CA C 62.4700 . 1 366 52 52 THR CB C 69.3600 . 1 367 52 52 THR CG2 C 20.9300 . 1 368 52 52 THR N N 119.7180 . 1 369 53 53 HIS H H 7.5040 . 1 370 53 53 HIS HA H 5.2110 . 1 371 53 53 HIS HB2 H 2.4430 . 2 372 53 53 HIS HB3 H 2.5500 . 2 373 53 53 HIS HD2 H 5.4590 . 1 374 53 53 HIS HE1 H 7.7640 . 1 375 53 53 HIS CA C 56.8220 . 1 376 53 53 HIS CB C 34.0400 . 1 377 53 53 HIS CD2 C 115.6680 . 1 378 53 53 HIS CE1 C 138.6750 . 1 379 53 53 HIS N N 122.6240 . 1 380 54 54 ILE H H 9.1280 . 1 381 54 54 ILE HA H 5.0080 . 1 382 54 54 ILE HB H 1.7170 . 1 383 54 54 ILE HD1 H 0.7730 . 1 384 54 54 ILE HG12 H 1.5440 . 2 385 54 54 ILE HG2 H 0.8750 . 1 386 54 54 ILE CA C 60.3860 . 1 387 54 54 ILE CB C 39.1840 . 1 388 54 54 ILE CD1 C 14.1230 . 1 389 54 54 ILE CG1 C 28.6100 . 1 390 54 54 ILE CG2 C 18.8670 . 1 391 54 54 ILE N N 124.9950 . 1 392 55 55 VAL H H 9.2000 . 1 393 55 55 VAL HA H 4.8240 . 1 394 55 55 VAL HB H 1.9510 . 1 395 55 55 VAL HG1 H 0.6990 . 2 396 55 55 VAL HG2 H 0.8150 . 2 397 55 55 VAL CA C 61.5340 . 1 398 55 55 VAL CB C 32.8300 . 1 399 55 55 VAL CG1 C 21.0800 . 2 400 55 55 VAL CG2 C 19.7600 . 2 401 55 55 VAL N N 128.5790 . 1 402 56 56 VAL H H 8.7280 . 1 403 56 56 VAL HA H 5.0740 . 1 404 56 56 VAL HB H 2.3380 . 1 405 56 56 VAL HG1 H 0.7260 . 2 406 56 56 VAL HG2 H 0.8800 . 2 407 56 56 VAL CA C 57.9940 . 1 408 56 56 VAL CB C 36.7920 . 1 409 56 56 VAL CG1 C 18.7600 . 2 410 56 56 VAL CG2 C 22.6520 . 2 411 56 56 VAL N N 116.9420 . 1 412 57 57 ASP H H 8.9140 . 1 413 57 57 ASP HA H 4.5510 . 1 414 57 57 ASP HB2 H 2.4690 . 2 415 57 57 ASP HB3 H 2.8860 . 2 416 57 57 ASP CA C 54.7260 . 1 417 57 57 ASP CB C 43.6770 . 1 418 57 57 ASP N N 119.6460 . 1 419 58 58 GLU H H 8.4450 . 1 420 58 58 GLU HA H 3.9760 . 1 421 58 58 GLU HB2 H 2.1850 . 2 422 58 58 GLU HG2 H 2.3860 . 2 423 58 58 GLU HG3 H 2.5950 . 2 424 58 58 GLU CA C 59.3980 . 1 425 58 58 GLU CB C 30.2140 . 1 426 58 58 GLU CG C 37.1850 . 1 427 58 58 GLU N N 120.1740 . 1 428 59 59 GLY H H 8.6470 . 1 429 59 59 GLY HA2 H 4.2470 . 2 430 59 59 GLY HA3 H 3.7410 . 2 431 59 59 GLY CA C 44.9270 . 1 432 59 59 GLY N N 107.3420 . 1 433 60 60 MET H H 7.7700 . 1 434 60 60 MET HA H 4.4530 . 1 435 60 60 MET HB2 H 2.2450 . 2 436 60 60 MET HE H 2.0270 . 1 437 60 60 MET HG2 H 2.5960 . 2 438 60 60 MET CA C 55.0250 . 1 439 60 60 MET CB C 32.0110 . 1 440 60 60 MET CE C 16.0950 . 1 441 60 60 MET CG C 31.4720 . 1 442 60 60 MET N N 122.0380 . 1 443 61 61 ASP H H 7.3260 . 1 444 61 61 ASP HA H 4.9400 . 1 445 61 61 ASP HB2 H 2.9060 . 2 446 61 61 ASP CA C 51.8570 . 1 447 61 61 ASP CB C 43.3390 . 1 448 61 61 ASP N N 121.4460 . 1 449 62 62 TYR H H 8.9180 . 1 450 62 62 TYR HA H 3.7990 . 1 451 62 62 TYR HB2 H 2.9450 . 2 452 62 62 TYR HB3 H 3.1640 . 2 453 62 62 TYR HD1 H 6.9280 . 3 454 62 62 TYR HE1 H 6.7480 . 3 455 62 62 TYR CA C 62.2590 . 1 456 62 62 TYR CB C 39.3470 . 1 457 62 62 TYR CD1 C 133.1090 . 3 458 62 62 TYR CE1 C 118.3320 . 3 459 62 62 TYR N N 121.0410 . 1 460 63 63 GLU H H 8.5790 . 1 461 63 63 GLU HA H 3.7130 . 1 462 63 63 GLU HB2 H 2.0320 . 2 463 63 63 GLU HG2 H 2.3590 . 2 464 63 63 GLU CA C 59.7020 . 1 465 63 63 GLU CB C 29.1660 . 1 466 63 63 GLU CG C 36.7360 . 1 467 63 63 GLU N N 116.9420 . 1 468 64 64 ARG H H 8.2350 . 1 469 64 64 ARG HA H 3.8920 . 1 470 64 64 ARG HB2 H 1.9960 . 2 471 64 64 ARG HB3 H 1.8350 . 2 472 64 64 ARG HD2 H 3.3200 . 2 473 64 64 ARG HG2 H 1.5960 . 2 474 64 64 ARG CB C 30.7750 . 1 475 64 64 ARG CD C 43.7480 . 1 476 64 64 ARG CG C 28.2130 . 1 477 64 64 ARG N N 120.1270 . 1 478 65 65 ALA H H 8.2860 . 1 479 65 65 ALA HA H 4.0060 . 1 480 65 65 ALA HB H 1.3530 . 1 481 65 65 ALA CA C 55.8270 . 1 482 65 65 ALA CB C 17.8970 . 1 483 65 65 ALA N N 122.1600 . 1 484 66 66 LEU H H 7.9290 . 1 485 66 66 LEU HA H 3.6920 . 1 486 66 66 LEU HB2 H 1.7240 . 2 487 66 66 LEU HB3 H 1.5520 . 2 488 66 66 LEU HD1 H 0.4910 . 2 489 66 66 LEU HD2 H 0.3590 . 2 490 66 66 LEU HG H 1.2830 . 1 491 66 66 LEU CA C 58.6400 . 1 492 66 66 LEU CB C 39.6970 . 1 493 66 66 LEU CD1 C 25.2270 . 2 494 66 66 LEU CD2 C 21.6170 . 2 495 66 66 LEU CG C 26.7850 . 1 496 66 66 LEU N N 115.7960 . 1 497 67 67 ARG H H 7.6270 . 1 498 67 67 ARG HA H 4.0570 . 1 499 67 67 ARG HB2 H 1.9200 . 2 500 67 67 ARG HB3 H 1.9700 . 2 501 67 67 ARG HD2 H 3.2400 . 2 502 67 67 ARG HG2 H 1.7860 . 2 503 67 67 ARG HG3 H 1.5820 . 2 504 67 67 ARG CA C 59.1470 . 1 505 67 67 ARG CB C 30.2060 . 1 506 67 67 ARG CD C 43.4900 . 1 507 67 67 ARG CG C 27.7160 . 1 508 67 67 ARG N N 117.5740 . 1 509 68 68 LEU H H 8.4080 . 1 510 68 68 LEU HA H 4.1260 . 1 511 68 68 LEU HB2 H 1.9490 . 2 512 68 68 LEU HB3 H 1.6370 . 2 513 68 68 LEU HD1 H 0.9450 . 2 514 68 68 LEU HD2 H 0.9230 . 2 515 68 68 LEU HG H 1.8200 . 1 516 68 68 LEU CA C 57.6530 . 1 517 68 68 LEU CB C 42.0280 . 1 518 68 68 LEU CD1 C 23.8010 . 2 519 68 68 LEU CD2 C 25.6060 . 2 520 68 68 LEU CG C 26.7500 . 1 521 68 68 LEU N N 120.2770 . 1 522 69 69 LEU H H 8.1440 . 1 523 69 69 LEU HA H 4.0730 . 1 524 69 69 LEU HB2 H 1.3250 . 2 525 69 69 LEU HB3 H 1.6800 . 2 526 69 69 LEU HD1 H 0.7030 . 2 527 69 69 LEU HD2 H 0.8730 . 2 528 69 69 LEU HG H 1.9300 . 1 529 69 69 LEU CA C 55.0640 . 1 530 69 69 LEU CB C 42.3910 . 1 531 69 69 LEU CD1 C 25.7300 . 2 532 69 69 LEU CD2 C 22.8400 . 2 533 69 69 LEU CG C 26.1100 . 1 534 69 69 LEU N N 117.4630 . 1 535 70 70 ARG H H 7.8080 . 1 536 70 70 ARG HA H 3.8080 . 1 537 70 70 ARG HB2 H 2.0760 . 2 538 70 70 ARG HB3 H 1.8850 . 2 539 70 70 ARG HD2 H 3.2370 . 2 540 70 70 ARG HG2 H 1.5780 . 2 541 70 70 ARG CA C 56.6000 . 1 542 70 70 ARG CB C 26.6300 . 1 543 70 70 ARG CD C 43.5150 . 1 544 70 70 ARG CG C 27.4300 . 1 545 70 70 ARG N N 115.2730 . 1 546 71 71 LEU H H 7.7190 . 1 547 71 71 LEU HA H 4.9510 . 1 548 71 71 LEU HB2 H 1.2800 . 2 549 71 71 LEU HB3 H 1.4840 . 2 550 71 71 LEU HD1 H 0.7030 . 2 551 71 71 LEU HD2 H 0.8850 . 2 552 71 71 LEU CA C 50.9200 . 1 553 71 71 LEU CB C 45.4020 . 1 554 71 71 LEU CD1 C 25.7100 . 2 555 71 71 LEU CD2 C 23.0900 . 2 556 71 71 LEU N N 117.7360 . 1 557 72 72 PRO HA H 4.4190 . 1 558 72 72 PRO HB2 H 2.2480 . 2 559 72 72 PRO HD2 H 3.8300 . 2 560 72 72 PRO HG2 H 2.0270 . 2 561 72 72 PRO CA C 63.2950 . 1 562 72 72 PRO CB C 31.4830 . 1 563 72 72 PRO CD C 49.9420 . 1 564 72 72 PRO CG C 26.8790 . 1 565 73 73 GLN H H 7.0890 . 1 566 73 73 GLN HA H 4.3540 . 1 567 73 73 GLN HG2 H 2.1490 . 2 568 73 73 GLN CA C 53.9360 . 1 569 73 73 GLN CB C 30.7520 . 1 570 73 73 GLN CG C 32.3570 . 1 571 73 73 GLN N N 111.2450 . 1 572 74 74 LEU H H 9.1380 . 1 573 74 74 LEU HA H 4.3000 . 1 574 74 74 LEU HB2 H 1.7890 . 2 575 74 74 LEU HB3 H 1.2910 . 2 576 74 74 LEU HD1 H 0.6900 . 2 577 74 74 LEU HD2 H 0.9400 . 2 578 74 74 LEU HG H 1.7710 . 1 579 74 74 LEU CA C 53.4560 . 1 580 74 74 LEU CB C 40.8210 . 1 581 74 74 LEU CD1 C 23.5200 . 2 582 74 74 LEU CD2 C 26.1000 . 2 583 74 74 LEU CG C 27.8200 . 1 584 74 74 LEU N N 122.7610 . 1 585 75 75 PRO HA H 4.6700 . 1 586 75 75 PRO HB2 H 1.9200 . 2 587 75 75 PRO HD2 H 3.7060 . 2 588 75 75 PRO HD3 H 3.1400 . 2 589 75 75 PRO CA C 61.5100 . 1 590 75 75 PRO CB C 30.5300 . 1 591 75 75 PRO CD C 50.3200 . 1 592 75 75 PRO CG C 27.8200 . 1 593 76 76 PRO HA H 4.2720 . 1 594 76 76 PRO HB2 H 2.2720 . 2 595 76 76 PRO HD2 H 3.5800 . 2 596 76 76 PRO HD3 H 3.8800 . 2 597 76 76 PRO HG2 H 2.0960 . 2 598 76 76 PRO HG3 H 1.9130 . 2 599 76 76 PRO CA C 63.7740 . 1 600 76 76 PRO CB C 31.4400 . 1 601 76 76 PRO CD C 50.4210 . 1 602 76 76 PRO CG C 27.6420 . 1 603 77 77 GLY H H 8.8450 . 1 604 77 77 GLY HA2 H 4.1740 . 2 605 77 77 GLY HA3 H 3.6280 . 2 606 77 77 GLY CA C 45.3230 . 1 607 77 77 GLY N N 113.6970 . 1 608 78 78 ALA H H 7.5960 . 1 609 78 78 ALA HA H 4.3240 . 1 610 78 78 ALA HB H 1.1170 . 1 611 78 78 ALA CA C 51.4260 . 1 612 78 78 ALA CB C 20.7300 . 1 613 78 78 ALA N N 121.7570 . 1 614 79 79 GLN H H 7.4660 . 1 615 79 79 GLN HA H 4.4040 . 1 616 79 79 GLN HG2 H 2.0340 . 2 617 79 79 GLN CA C 54.1060 . 1 618 79 79 GLN CB C 31.7280 . 1 619 79 79 GLN CG C 33.6750 . 1 620 79 79 GLN N N 117.8370 . 1 621 80 80 LEU H H 8.9190 . 1 622 80 80 LEU HA H 5.1530 . 1 623 80 80 LEU HB2 H 1.9170 . 2 624 80 80 LEU HB3 H 1.4570 . 2 625 80 80 LEU HD1 H 0.8410 . 2 626 80 80 LEU HD2 H 0.7960 . 2 627 80 80 LEU HG H 1.4090 . 1 628 80 80 LEU CA C 53.9400 . 1 629 80 80 LEU CB C 43.8270 . 1 630 80 80 LEU CD1 C 25.5550 . 2 631 80 80 LEU CD2 C 26.2500 . 2 632 80 80 LEU CG C 25.1650 . 1 633 80 80 LEU N N 127.2020 . 1 634 81 81 VAL H H 9.1020 . 1 635 81 81 VAL HA H 5.0300 . 1 636 81 81 VAL HB H 1.7900 . 1 637 81 81 VAL HG1 H 0.4780 . 2 638 81 81 VAL HG2 H 0.6690 . 2 639 81 81 VAL CB C 36.1700 . 1 640 81 81 VAL CG1 C 21.9220 . 2 641 81 81 VAL CG2 C 20.4040 . 2 642 81 81 VAL N N 120.0400 . 1 643 82 82 LYS H H 8.3700 . 1 644 82 82 LYS HA H 4.7080 . 1 645 82 82 LYS HB2 H 2.0100 . 2 646 82 82 LYS HD2 H 1.8040 . 2 647 82 82 LYS HE2 H 2.5720 . 2 648 82 82 LYS HG2 H 1.5830 . 2 649 82 82 LYS CB C 34.5780 . 1 650 82 82 LYS CD C 30.4760 . 1 651 82 82 LYS CE C 42.3450 . 1 652 82 82 LYS CG C 26.9510 . 1 653 82 82 LYS N N 121.9890 . 1 654 83 83 SER H H 8.8680 . 1 655 83 83 SER HA H 3.7630 . 1 656 83 83 SER HB2 H 3.9150 . 2 657 83 83 SER CA C 62.6350 . 1 658 83 83 SER CB C 62.7890 . 1 659 83 83 SER N N 118.5120 . 1 660 84 84 ALA H H 8.9820 . 1 661 84 84 ALA HA H 4.1480 . 1 662 84 84 ALA HB H 1.6750 . 1 663 84 84 ALA CA C 54.9390 . 1 664 84 84 ALA CB C 19.1520 . 1 665 84 84 ALA N N 125.1990 . 1 666 85 85 TRP H H 8.1470 . 1 667 85 85 TRP HA H 4.0040 . 1 668 85 85 TRP HB2 H 3.2900 . 2 669 85 85 TRP HB3 H 2.7960 . 2 670 85 85 TRP HD1 H 6.8400 . 1 671 85 85 TRP HE1 H 9.6230 . 1 672 85 85 TRP HE3 H 6.9380 . 1 673 85 85 TRP HH2 H 6.0380 . 1 674 85 85 TRP HZ2 H 7.0900 . 1 675 85 85 TRP HZ3 H 6.2080 . 1 676 85 85 TRP CA C 60.9730 . 1 677 85 85 TRP CB C 27.9710 . 1 678 85 85 TRP CD1 C 125.1700 . 1 679 85 85 TRP CE3 C 119.5930 . 1 680 85 85 TRP CH2 C 124.0870 . 1 681 85 85 TRP CZ2 C 114.4510 . 1 682 85 85 TRP CZ3 C 119.5260 . 1 683 85 85 TRP N N 118.8940 . 1 684 85 85 TRP NE1 N 131.6990 . 1 685 86 86 LEU H H 6.8530 . 1 686 86 86 LEU HA H 3.1600 . 1 687 86 86 LEU HD1 H 0.2200 . 2 688 86 86 LEU HD2 H 0.4610 . 2 689 86 86 LEU HG H 1.0200 . 1 690 86 86 LEU CA C 56.7100 . 1 691 86 86 LEU CB C 41.1250 . 1 692 86 86 LEU CD1 C 26.3170 . 2 693 86 86 LEU CD2 C 22.1000 . 2 694 86 86 LEU CG C 26.3180 . 1 695 86 86 LEU N N 120.2890 . 1 696 87 87 SER H H 7.9460 . 1 697 87 87 SER HA H 4.0970 . 1 698 87 87 SER HB2 H 3.9340 . 2 699 87 87 SER CA C 62.5980 . 1 700 87 87 SER CB C 62.6080 . 1 701 87 87 SER N N 113.5650 . 1 702 88 88 LEU H H 7.6270 . 1 703 88 88 LEU HA H 4.1390 . 1 704 88 88 LEU HD1 H 0.9500 . 2 705 88 88 LEU HD2 H 1.0550 . 2 706 88 88 LEU HG H 1.3780 . 1 707 88 88 LEU CA C 57.8630 . 1 708 88 88 LEU CB C 41.0260 . 1 709 88 88 LEU CD1 C 26.1920 . 2 710 88 88 LEU CD2 C 23.5860 . 2 711 88 88 LEU CG C 26.7950 . 1 712 88 88 LEU N N 124.2800 . 1 713 89 89 CYS H H 7.7340 . 1 714 89 89 CYS HA H 4.3320 . 1 715 89 89 CYS HB2 H 2.8780 . 2 716 89 89 CYS HB3 H 2.4010 . 2 717 89 89 CYS CA C 62.7940 . 1 718 89 89 CYS CB C 27.0590 . 1 719 89 89 CYS N N 117.4490 . 1 720 90 90 LEU H H 7.7750 . 1 721 90 90 LEU HA H 4.0970 . 1 722 90 90 LEU HD1 H 0.8670 . 2 723 90 90 LEU HD2 H 0.9230 . 2 724 90 90 LEU CA C 57.3710 . 1 725 90 90 LEU CB C 40.7890 . 1 726 90 90 LEU CD1 C 23.0050 . 2 727 90 90 LEU CD2 C 25.5190 . 2 728 90 90 LEU N N 115.9310 . 1 729 91 91 GLN H H 7.8790 . 1 730 91 91 GLN HA H 4.0050 . 1 731 91 91 GLN HG2 H 2.3310 . 2 732 91 91 GLN CA C 58.3730 . 1 733 91 91 GLN CB C 29.7880 . 1 734 91 91 GLN CG C 33.5880 . 1 735 91 91 GLN N N 119.3490 . 1 736 92 92 GLU H H 8.3260 . 1 737 92 92 GLU HA H 3.9170 . 1 738 92 92 GLU HB2 H 1.5500 . 2 739 92 92 GLU HG2 H 2.1770 . 2 740 92 92 GLU CA C 56.5640 . 1 741 92 92 GLU CB C 29.8790 . 1 742 92 92 GLU CG C 36.7340 . 1 743 92 92 GLU N N 115.6540 . 1 744 93 93 ARG H H 7.5370 . 1 745 93 93 ARG HA H 1.9270 . 1 746 93 93 ARG HB2 H 1.4100 . 2 747 93 93 ARG HD2 H 2.9480 . 2 748 93 93 ARG HD3 H 3.0700 . 2 749 93 93 ARG HG2 H 0.9920 . 2 750 93 93 ARG HG3 H 1.0550 . 2 751 93 93 ARG CA C 55.1000 . 1 752 93 93 ARG CB C 25.7900 . 1 753 93 93 ARG CD C 43.3440 . 1 754 93 93 ARG CG C 26.8850 . 1 755 93 93 ARG N N 117.2200 . 1 756 94 94 ARG H H 7.3610 . 1 757 94 94 ARG HA H 4.0540 . 1 758 94 94 ARG HB2 H 1.4910 . 2 759 94 94 ARG HD2 H 3.0810 . 2 760 94 94 ARG HD3 H 2.9480 . 2 761 94 94 ARG HG2 H 1.0200 . 2 762 94 94 ARG CA C 54.2910 . 1 763 94 94 ARG CB C 31.9200 . 1 764 94 94 ARG CD C 43.2010 . 1 765 94 94 ARG CG C 25.8140 . 1 766 94 94 ARG N N 112.0180 . 1 767 95 95 LEU H H 8.4780 . 1 768 95 95 LEU HA H 4.3890 . 1 769 95 95 LEU HB2 H 1.9510 . 2 770 95 95 LEU HB3 H 1.6750 . 2 771 95 95 LEU HD1 H 1.0100 . 2 772 95 95 LEU HD2 H 1.0600 . 2 773 95 95 LEU HG H 1.6800 . 1 774 95 95 LEU CB C 41.0910 . 1 775 95 95 LEU CD1 C 25.8220 . 2 776 95 95 LEU CD2 C 25.8220 . 2 777 95 95 LEU CG C 27.5400 . 1 778 95 95 LEU N N 119.6650 . 1 779 96 96 VAL H H 7.3470 . 1 780 96 96 VAL HA H 4.2170 . 1 781 96 96 VAL HB H 2.0300 . 1 782 96 96 VAL HG1 H 1.0130 . 2 783 96 96 VAL HG2 H 0.8030 . 2 784 96 96 VAL CA C 61.2630 . 1 785 96 96 VAL CB C 33.7760 . 1 786 96 96 VAL CG1 C 20.9820 . 2 787 96 96 VAL CG2 C 20.9820 . 2 788 96 96 VAL N N 126.7210 . 1 789 97 97 ASP H H 8.9200 . 1 790 97 97 ASP HA H 5.1530 . 1 791 97 97 ASP CB C 41.5220 . 1 792 97 97 ASP N N 127.0450 . 1 793 98 98 VAL H H 8.1540 . 1 794 98 98 VAL HB H 1.9320 . 1 795 98 98 VAL HG1 H 0.3800 . 2 796 98 98 VAL HG2 H 0.6390 . 2 797 98 98 VAL CA C 63.2290 . 1 798 98 98 VAL CB C 32.1170 . 1 799 98 98 VAL CG1 C 21.1690 . 2 800 98 98 VAL CG2 C 19.2800 . 2 801 98 98 VAL N N 118.9730 . 1 802 99 99 ALA H H 8.2100 . 1 803 99 99 ALA HA H 4.0960 . 1 804 99 99 ALA HB H 1.4140 . 1 805 99 99 ALA CA C 54.6090 . 1 806 99 99 ALA CB C 18.4130 . 1 807 99 99 ALA N N 123.9330 . 1 808 100 100 GLY H H 8.8000 . 1 809 100 100 GLY HA2 H 3.9120 . 2 810 100 100 GLY HA3 H 3.6850 . 2 811 100 100 GLY CA C 45.1390 . 1 812 100 100 GLY N N 110.3160 . 1 813 101 101 PHE H H 8.9810 . 1 814 101 101 PHE HA H 4.8110 . 1 815 101 101 PHE HB2 H 3.6350 . 2 816 101 101 PHE HB3 H 2.9870 . 2 817 101 101 PHE HD1 H 7.3670 . 3 818 101 101 PHE HE1 H 7.4630 . 3 819 101 101 PHE CA C 58.0420 . 1 820 101 101 PHE CB C 41.5600 . 1 821 101 101 PHE CD1 C 131.8160 . 3 822 101 101 PHE CE1 C 131.7910 . 3 823 101 101 PHE N N 117.5270 . 1 824 102 102 SER H H 7.6560 . 1 825 102 102 SER HA H 4.8600 . 1 826 102 102 SER HB2 H 3.8490 . 2 827 102 102 SER HB3 H 3.7360 . 2 828 102 102 SER CA C 58.2470 . 1 829 102 102 SER CB C 64.1630 . 1 830 102 102 SER N N 114.6190 . 1 831 103 103 ILE H H 8.2260 . 1 832 103 103 ILE HA H 4.2240 . 1 833 103 103 ILE HB H 1.6720 . 1 834 103 103 ILE HD1 H 0.7400 . 1 835 103 103 ILE HG12 H 1.1380 . 2 836 103 103 ILE HG13 H 1.3720 . 2 837 103 103 ILE HG2 H 0.9970 . 1 838 103 103 ILE CA C 60.1090 . 1 839 103 103 ILE CB C 38.2820 . 1 840 103 103 ILE CD1 C 12.9660 . 1 841 103 103 ILE CG1 C 27.9890 . 1 842 103 103 ILE CG2 C 17.9950 . 1 843 103 103 ILE N N 124.9890 . 1 844 104 104 PHE H H 8.3610 . 1 845 104 104 PHE HA H 4.4750 . 1 846 104 104 PHE HB2 H 3.0570 . 2 847 104 104 PHE HB3 H 2.9420 . 2 848 104 104 PHE HD1 H 7.1040 . 3 849 104 104 PHE HE1 H 7.2950 . 3 850 104 104 PHE CA C 57.8010 . 1 851 104 104 PHE CB C 40.0610 . 1 852 104 104 PHE CD1 C 131.4950 . 3 853 104 104 PHE CE1 C 131.4150 . 3 854 104 104 PHE N N 126.1160 . 1 855 105 105 ILE H H 7.7370 . 1 856 105 105 ILE HA H 3.8160 . 1 857 105 105 ILE HB H 1.4500 . 1 858 105 105 ILE HD1 H 0.7600 . 1 859 105 105 ILE HG12 H 1.3700 . 2 860 105 105 ILE HG13 H 0.7400 . 2 861 105 105 ILE HG2 H 0.5920 . 1 862 105 105 ILE CA C 57.8400 . 1 863 105 105 ILE CB C 39.0470 . 1 864 105 105 ILE CD1 C 13.2800 . 1 865 105 105 ILE CG1 C 26.7600 . 1 866 105 105 ILE CG2 C 16.1550 . 1 867 105 105 ILE N N 126.6600 . 1 868 106 106 PRO HA H 4.0300 . 1 869 106 106 PRO HB2 H 1.8570 . 2 870 106 106 PRO HB3 H 2.2300 . 2 871 106 106 PRO HD2 H 3.1420 . 2 872 106 106 PRO HD3 H 3.3930 . 2 873 106 106 PRO HG2 H 1.9170 . 2 874 106 106 PRO CA C 64.4600 . 1 875 106 106 PRO CB C 32.0700 . 1 876 106 106 PRO CD C 50.5500 . 1 877 106 106 PRO CG C 27.1400 . 1 stop_ save_