data_16176 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Prp40 FF4 domain ; _BMRB_accession_number 16176 _BMRB_flat_file_name bmr16176.str _Entry_type original _Submission_date 2009-02-18 _Accession_date 2009-02-18 _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 Bonet Roman . . 2 Ruiz Lidia . . 3 Morales Begonya . . 4 Macias Maria . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 440 "13C chemical shifts" 249 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-07 update BMRB 'remove outlier 8 ARG H 54.6535, and change 8 ARG N 7.826 to H; 14 LYS H 58.7245 and change 14 LYS N 8.570 to H' 2010-06-02 update BMRB 'edit assembly name' 2009-11-13 update BMRB 'complete entry citation' 2009-08-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Prp40_FF4_domain _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fourth FF domain of yeast Prp40 splicing factor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19722265 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bonet Roman . . 2 Ruiz Lidia . . 3 Morales Begona . . 4 Macias Maria J. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 77 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1000 _Page_last 1003 _Year 2009 _Details . loop_ _Keyword 'FF domain' 'NMR spectroscopy' phospho-CTD Prp40 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Prp40-FF4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yeast_Prp40_FF4_domain $yeast_Prp40_FF4_domain 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_yeast_Prp40_FF4_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yeast_Prp40_FF4_domain _Molecular_mass 7900.010 _Mol_thiol_state 'not present' loop_ _Biological_function 'splicing factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GAMGNERRILEQKKHYFWLL LQRTYTKTGKPKPSTWDLAS KELGESLEYKALGDEDNIRR QIFEDFKPE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 ASN 6 GLU 7 ARG 8 ARG 9 ILE 10 LEU 11 GLU 12 GLN 13 LYS 14 LYS 15 HIS 16 TYR 17 PHE 18 TRP 19 LEU 20 LEU 21 LEU 22 GLN 23 ARG 24 THR 25 TYR 26 THR 27 LYS 28 THR 29 GLY 30 LYS 31 PRO 32 LYS 33 PRO 34 SER 35 THR 36 TRP 37 ASP 38 LEU 39 ALA 40 SER 41 LYS 42 GLU 43 LEU 44 GLY 45 GLU 46 SER 47 LEU 48 GLU 49 TYR 50 LYS 51 ALA 52 LEU 53 GLY 54 ASP 55 GLU 56 ASP 57 ASN 58 ILE 59 ARG 60 ARG 61 GLN 62 ILE 63 PHE 64 GLU 65 ASP 66 PHE 67 LYS 68 PRO 69 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2KFD "Prp40 Ff4 Domain" 100.00 69 100.00 100.00 3.42e-42 DBJ GAA24712 "K7_Prp40p [Saccharomyces cerevisiae Kyokai no. 7]" 97.10 583 97.01 98.51 1.91e-36 EMBL CAA81847 "PRP40 [Saccharomyces cerevisiae]" 97.10 583 97.01 98.51 1.91e-36 EMBL CAY81071 "Prp40p [Saccharomyces cerevisiae EC1118]" 97.10 583 97.01 98.51 1.89e-36 GB AAB24902 "MYO2 homolog [Saccharomyces cerevisiae]" 97.10 583 97.01 98.51 1.91e-36 GB AHY76231 "Prp40p [Saccharomyces cerevisiae YJM993]" 97.10 583 97.01 98.51 1.89e-36 GB AJP40025 "Prp40p [Saccharomyces cerevisiae YJM1078]" 97.10 583 97.01 98.51 1.89e-36 GB AJS30223 "Prp40p [Saccharomyces cerevisiae YJM189]" 97.10 583 97.01 98.51 1.89e-36 GB AJS30524 "Prp40p [Saccharomyces cerevisiae YJM193]" 97.10 583 97.01 98.51 1.89e-36 REF NP_012913 "Prp40p [Saccharomyces cerevisiae S288c]" 97.10 583 97.01 98.51 1.91e-36 SP P33203 "RecName: Full=Pre-mRNA-processing protein PRP40" 97.10 583 97.01 98.51 1.91e-36 TPG DAA09144 "TPA: Prp40p [Saccharomyces cerevisiae S288c]" 97.10 583 97.01 98.51 1.91e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yeast_Prp40_FF4_domain yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $yeast_Prp40_FF4_domain 'recombinant technology' . Escherichia coli . pETM30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_yeast_Prp40_FF4_domain_unlabeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yeast_Prp40_FF4_domain 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 130 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_yeast_Prp40_FF4_domain_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yeast_Prp40_FF4_domain 0.5 mM '[U-100% 15N]' $yeast_Prp40_FF4_domain 0.5 mM '[U-100% 13C]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 130 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' D20 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 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 Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $yeast_Prp40_FF4_domain_unlabeled save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $yeast_Prp40_FF4_domain_unlabeled save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $yeast_Prp40_FF4_domain_labeled save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $yeast_Prp40_FF4_domain_labeled 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' 150 . mM pH 5.8 . pH pressure 1.0 . atm temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_bmrb_deposit_reference.str _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 $Prp40_FF4_domain $Prp40_FF4_domain DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 $Prp40_FF4_domain $Prp40_FF4_domain DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 $Prp40_FF4_domain $Prp40_FF4_domain 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_bmrb_deposit.str _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $yeast_Prp40_FF4_domain_unlabeled $yeast_Prp40_FF4_domain_labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $bmrb_deposit_reference.str _Mol_system_component_name yeast_Prp40_FF4_domain _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 GLY HA2 H 3.711 0.100 1 2 1 1 GLY HA3 H 3.625 0.100 1 3 1 1 GLY CA C 43.043 0.300 1 4 2 2 ALA H H 8.536 0.100 1 5 2 2 ALA HA H 4.16225 0.100 1 6 2 2 ALA HB H 1.211 0.100 1 7 2 2 ALA CA C 53.199 0.300 1 8 2 2 ALA CB C 19.684 0.300 1 9 3 3 MET H H 8.538 0.100 1 10 3 3 MET HA H 4.3135 0.100 1 11 3 3 MET HB2 H 1.9165 0.100 1 12 3 3 MET HB3 H 1.87025 0.100 1 13 3 3 MET HG2 H 2.42975 0.100 1 14 3 3 MET HG3 H 2.3955 0.100 1 15 3 3 MET CA C 56.246 0.100 1 16 3 3 MET CB C 33.395 0.300 1 17 3 3 MET CG C 31.871 0.300 1 18 3 3 MET N N 119.924 0.300 1 19 4 4 GLY H H 8.4725 0.100 1 20 4 4 GLY HA2 H 3.8575 0.106 1 21 4 4 GLY HA3 H 3.78675 0.102 1 22 4 4 GLY CA C 45.582 0.300 1 23 4 4 GLY N N 110.057 0.300 1 24 5 5 ASN H H 8.3785 0.101 1 25 5 5 ASN HA H 4.4225 0.100 1 26 5 5 ASN HB2 H 2.65325 0.104 1 27 5 5 ASN HD21 H 7.597 0.100 1 28 5 5 ASN HD22 H 6.886 0.101 1 29 5 5 ASN CA C 54.722 0.300 1 30 5 5 ASN CB C 37.965 0.300 1 31 5 5 ASN N N 119.786 0.300 1 32 6 6 GLU H H 8.608 0.100 1 33 6 6 GLU HA H 3.84225 0.100 1 34 6 6 GLU HB2 H 1.90125 0.100 1 35 6 6 GLU HG2 H 2.20025 0.100 1 36 6 6 GLU CA C 60.308 0.300 1 37 6 6 GLU CB C 29.840 0.300 1 38 6 6 GLU CG C 37.457 0.300 1 39 6 6 GLU N N 119.791 0.300 1 40 7 7 ARG H H 8.0495 0.100 1 41 7 7 ARG HA H 3.967 0.100 1 42 7 7 ARG HB2 H 1.711 0.101 1 43 7 7 ARG HD2 H 3.0505 0.101 1 44 7 7 ARG HE H 7.269 0.100 1 45 7 7 ARG HG2 H 1.552 0.107 1 46 7 7 ARG HG3 H 1.48725 0.102 1 47 7 7 ARG CA C 58.277 0.300 1 48 7 7 ARG CB C 29.332 0.300 1 49 7 7 ARG CD C 43.043 0.300 1 50 7 7 ARG CG C 26.793 0.300 1 51 7 7 ARG N N 120.987 0.300 1 52 8 8 ARG H H 7.826 0.101 1 53 8 8 ARG HA H 3.873 0.102 1 54 8 8 ARG HB2 H 1.746 0.101 1 55 8 8 ARG HB3 H 1.695 0.100 1 56 8 8 ARG HD2 H 3.035 0.101 1 57 8 8 ARG HG2 H 1.532 0.100 1 58 8 8 ARG HG3 H 1.42175 0.100 1 59 8 8 ARG CA C 59.800 0.300 1 60 8 8 ARG CB C 29.840 0.300 1 61 8 8 ARG CD C 43.551 0.300 1 62 8 8 ARG CG C 27.809 0.300 1 63 9 9 ILE H H 7.855 0.100 1 64 9 9 ILE HA H 3.641 0.100 1 65 9 9 ILE HB H 1.75775 0.102 1 66 9 9 ILE HD1 H 0.6675 0.100 1 67 9 9 ILE HG12 H 1.481 0.100 1 68 9 9 ILE HG13 H 1.0515 0.101 1 69 9 9 ILE HG2 H 0.7965 0.100 1 70 9 9 ILE CA C 64.878 0.300 1 71 9 9 ILE CB C 37.965 0.300 1 72 9 9 ILE CD1 C 12.067 0.300 1 73 9 9 ILE CG1 C 29.840 0.300 1 74 9 9 ILE CG2 C 17.653 0.300 1 75 9 9 ILE N N 119.969 0.300 1 76 10 10 LEU H H 7.738 0.101 1 77 10 10 LEU HA H 3.94375 0.100 1 78 10 10 LEU HB2 H 1.785 0.100 1 79 10 10 LEU HB3 H 1.51 0.105 1 80 10 10 LEU HD1 H 0.7505 0.104 1 81 10 10 LEU HD2 H 0.7305 0.102 1 82 10 10 LEU HG H 1.31225 0.100 1 83 10 10 LEU CA C 58.277 0.300 1 84 10 10 LEU CB C 41.520 0.300 1 85 10 10 LEU CD1 C 26.286 0.300 1 86 10 10 LEU CD2 C 22.731 0.300 1 87 10 10 LEU CG C 27.301 0.300 1 88 10 10 LEU N N 121.758 0.300 1 89 11 11 GLU H H 8.2455 0.100 1 90 11 11 GLU HA H 3.768 0.100 1 91 11 11 GLU HB2 H 1.952 0.100 1 92 11 11 GLU HG2 H 2.2145 0.102 1 93 11 11 GLU CA C 59.800 0.300 1 94 11 11 GLU CB C 28.825 0.300 1 95 11 11 GLU CG C 36.949 0.300 1 96 11 11 GLU N N 117.433 0.300 1 97 12 12 GLN H H 7.8525 0.100 1 98 12 12 GLN HA H 3.9765 0.100 1 99 12 12 GLN HB2 H 2.1365 0.100 1 100 12 12 GLN HB3 H 2.0255 0.100 1 101 12 12 GLN HE21 H 7.3715 0.100 1 102 12 12 GLN HE22 H 6.736 0.107 1 103 12 12 GLN HG2 H 2.2705 0.102 1 104 12 12 GLN HG3 H 2.161 0.100 1 105 12 12 GLN CA C 59.292 0.300 1 106 12 12 GLN CB C 28.825 0.300 1 107 12 12 GLN CG C 34.410 0.300 1 108 12 12 GLN N N 119.791 0.300 1 109 13 13 LYS H H 8.0805 0.100 1 110 13 13 LYS HA H 3.938 0.100 1 111 13 13 LYS HB2 H 1.972 0.177 1 112 13 13 LYS HB3 H 1.60025 0.102 1 113 13 13 LYS HD2 H 1.49425 0.100 1 114 13 13 LYS HD3 H 1.3745 0.100 1 115 13 13 LYS HE2 H 2.731 0.101 1 116 13 13 LYS HE3 H 2.6865 0.100 1 117 13 13 LYS HG2 H 1.6945 0.103 1 118 13 13 LYS HG3 H 1.246 0.100 1 119 13 13 LYS CA C 60.816 0.300 1 120 13 13 LYS CB C 33.903 0.300 1 121 13 13 LYS CD C 30.348 0.300 1 122 13 13 LYS CE C 42.535 0.300 1 123 13 13 LYS CG C 26.793 0.300 1 124 13 13 LYS N N 118.933 0.300 1 125 14 14 LYS H H 8.570 0.100 1 126 14 14 LYS HA H 3.6745 0.100 1 127 14 14 LYS HB2 H 1.867 0.102 1 128 14 14 LYS HD2 H 1.4995 0.105 1 129 14 14 LYS HE2 H 2.7685 0.105 1 130 14 14 LYS HE3 H 2.5995 0.100 1 131 14 14 LYS HG2 H 1.7065 0.101 1 132 14 14 LYS HG3 H 0.988 0.101 1 133 14 14 LYS CA C 60.816 0.300 1 134 14 14 LYS CB C 31.871 0.300 1 135 14 14 LYS CD C 30.348 0.300 1 136 14 14 LYS CE C 40.504 0.300 1 137 14 14 LYS CG C 25.778 0.300 1 138 15 15 HIS H H 8.002 0.100 1 139 15 15 HIS HA H 4.4585 0.104 1 140 15 15 HIS HB2 H 3.256 0.100 1 141 15 15 HIS HB3 H 3.067 0.102 1 142 15 15 HIS HD2 H 7.0315 0.100 1 143 15 15 HIS HE1 H 8.302 0.100 1 144 15 15 HIS CA C 59.800 0.300 1 145 15 15 HIS CB C 28.825 0.300 1 146 15 15 HIS CD2 C 118.029 0.300 1 147 15 15 HIS CE1 C 134.567 0.300 1 148 16 16 TYR H H 8.685 0.100 1 149 16 16 TYR HA H 4.262 0.101 1 150 16 16 TYR HB2 H 3.08325 0.101 1 151 16 16 TYR HB3 H 3.01525 0.103 1 152 16 16 TYR HD1 H 7.1675 0.101 3 153 16 16 TYR HD2 H 7.1675 0.101 3 154 16 16 TYR HE1 H 6.7355 0.103 3 155 16 16 TYR HE2 H 6.7355 0.103 3 156 16 16 TYR CA C 60.816 0.300 1 157 16 16 TYR CB C 36.949 0.300 1 158 16 16 TYR CD1 C 129.822 0.300 1 159 16 16 TYR CE1 C 115.155 0.300 1 160 16 16 TYR N N 116.867 0.300 1 161 17 17 PHE H H 8.0625 0.100 1 162 17 17 PHE HA H 4.13525 0.100 1 163 17 17 PHE HB2 H 3.03625 0.100 1 164 17 17 PHE HB3 H 2.95275 0.100 1 165 17 17 PHE HD1 H 6.941 0.101 3 166 17 17 PHE HD2 H 6.941 0.101 3 167 17 17 PHE HE1 H 7.3355 0.100 3 168 17 17 PHE HE2 H 7.3355 0.100 3 169 17 17 PHE HZ H 6.945 0.100 1 170 17 17 PHE CA C 62.339 0.300 1 171 17 17 PHE CB C 39.996 0.300 1 172 17 17 PHE CD1 C 130.553 0.300 1 173 17 17 PHE CE1 C 127.895 0.300 1 174 17 17 PHE CZ C 128.270 0.300 1 175 17 17 PHE N N 121.253 0.300 1 176 18 18 TRP H H 8.362 0.101 1 177 18 18 TRP HA H 3.46525 0.100 1 178 18 18 TRP HB2 H 3.456 0.104 1 179 18 18 TRP HB3 H 3.10675 0.101 1 180 18 18 TRP HD1 H 7.3265 0.101 1 181 18 18 TRP HE1 H 10.469 0.100 1 182 18 18 TRP HE3 H 6.64825 0.100 1 183 18 18 TRP HH2 H 7.08 0.100 1 184 18 18 TRP HZ2 H 7.418 0.100 1 185 18 18 TRP HZ3 H 6.7675 0.102 1 186 18 18 TRP CA C 63.355 0.300 1 187 18 18 TRP CB C 28.317 0.300 1 188 18 18 TRP CD1 C 123.811 0.300 1 189 18 18 TRP CE3 C 116.880 0.300 1 190 18 18 TRP CH2 C 121.817 0.300 1 191 18 18 TRP CZ2 C 111.791 0.300 1 192 18 18 TRP CZ3 C 119.349 0.300 1 193 18 18 TRP N N 123.692 0.300 1 194 19 19 LEU H H 8.334 0.100 1 195 19 19 LEU HA H 3.45875 0.100 1 196 19 19 LEU HB2 H 1.69375 0.100 1 197 19 19 LEU HB3 H 1.19675 0.100 1 198 19 19 LEU HD1 H 0.8215 0.101 1 199 19 19 LEU HD2 H 0.608 0.100 1 200 19 19 LEU HG H 1.30375 0.101 1 201 19 19 LEU CA C 57.769 0.300 1 202 19 19 LEU CB C 42.027 0.300 1 203 19 19 LEU CD1 C 23.747 0.300 1 204 19 19 LEU CD2 C 25.778 0.300 1 205 19 19 LEU CG C 26.793 0.300 1 206 19 19 LEU N N 117.266 0.300 1 207 20 20 LEU H H 7.2275 0.100 1 208 20 20 LEU HA H 3.74575 0.103 1 209 20 20 LEU HB2 H 1.971 0.102 1 210 20 20 LEU HB3 H 1.06 0.100 1 211 20 20 LEU HD1 H 0.903 0.100 1 212 20 20 LEU HD2 H 0.63825 0.100 1 213 20 20 LEU HG H 0.95725 0.100 1 214 20 20 LEU CA C 57.769 0.300 1 215 20 20 LEU CB C 40.504 0.300 1 216 20 20 LEU CD1 C 27.809 0.300 1 217 20 20 LEU CD2 C 22.223 0.300 1 218 20 20 LEU CG C 27.809 0.300 1 219 20 20 LEU N N 120.455 0.300 1 220 21 21 LEU H H 7.23 0.100 1 221 21 21 LEU HA H 3.0905 0.100 1 222 21 21 LEU HB2 H 0.90925 0.100 1 223 21 21 LEU HB3 H 0.11725 0.100 1 224 21 21 LEU HD1 H 0.963 0.100 1 225 21 21 LEU HD2 H 0.49225 0.100 1 226 21 21 LEU HG H 0.34925 0.101 1 227 21 21 LEU CA C 58.277 0.300 1 228 21 21 LEU CB C 37.457 0.300 1 229 21 21 LEU CD1 C 25.488 0.300 1 230 21 21 LEU CD2 C 23.747 0.300 1 231 21 21 LEU CG C 28.317 0.300 1 232 21 21 LEU N N 121.639 0.300 1 233 22 22 GLN H H 7.6765 0.100 1 234 22 22 GLN HA H 3.9125 0.103 1 235 22 22 GLN HB2 H 1.622 0.101 1 236 22 22 GLN HE21 H 7.258 0.100 1 237 22 22 GLN HE22 H 6.638 0.100 1 238 22 22 GLN HG2 H 1.94775 0.100 1 239 22 22 GLN HG3 H 1.87075 0.101 1 240 22 22 GLN CA C 57.261 0.300 1 241 22 22 GLN CB C 28.317 0.300 1 242 22 22 GLN CG C 33.903 0.300 1 243 22 22 GLN N N 115.768 0.300 1 244 23 23 ARG H H 7.319 0.100 1 245 23 23 ARG HA H 4.109 0.100 1 246 23 23 ARG HB2 H 1.68275 0.100 1 247 23 23 ARG HB3 H 1.52875 0.100 1 248 23 23 ARG HD2 H 3.004 0.104 1 249 23 23 ARG HD3 H 2.888 0.101 1 250 23 23 ARG HE H 7.124 0.100 1 251 23 23 ARG HG2 H 1.6005 0.102 1 252 23 23 ARG HG3 H 1.30475 0.103 1 253 23 23 ARG HH21 H 6.482 0.101 1 254 23 23 ARG CA C 56.753 0.300 1 255 23 23 ARG CB C 30.856 0.300 1 256 23 23 ARG CD C 43.551 0.300 1 257 23 23 ARG CG C 27.301 0.300 1 258 23 23 ARG N N 112.925 0.300 1 259 24 24 THR H H 7.3335 0.100 1 260 24 24 THR HA H 3.59175 0.100 1 261 24 24 THR HB H 2.9865 0.102 1 262 24 24 THR HG1 H 5.0045 0.100 1 263 24 24 THR HG2 H 0.114 0.100 1 264 24 24 THR CA C 65.894 0.300 1 265 24 24 THR CB C 69.956 0.300 1 266 24 24 THR CG2 C 19.684 0.300 1 267 24 24 THR N N 117.733 0.300 1 268 25 25 TYR H H 8.087 0.100 1 269 25 25 TYR HA H 5.41125 0.100 1 270 25 25 TYR HB2 H 2.96225 0.100 1 271 25 25 TYR HB3 H 2.819 0.100 1 272 25 25 TYR HD1 H 6.77575 0.100 3 273 25 25 TYR HD2 H 6.77575 0.100 3 274 25 25 TYR HE1 H 6.6065 0.101 3 275 25 25 TYR HE2 H 6.6065 0.101 3 276 25 25 TYR HH H 9.324 0.100 1 277 25 25 TYR CA C 56.753 0.300 1 278 25 25 TYR CB C 39.488 0.300 1 279 25 25 TYR CD1 C 130.598 0.300 1 280 25 25 TYR CE1 C 115.368 0.300 1 281 25 25 TYR N N 123.457 0.300 1 282 26 26 THR H H 7.9825 0.100 1 283 26 26 THR HA H 4.69425 0.100 1 284 26 26 THR HB H 4.383 0.100 1 285 26 26 THR HG2 H 0.98275 0.100 1 286 26 26 THR CA C 59.800 0.300 1 287 26 26 THR CB C 72.495 0.300 1 288 26 26 THR CG2 C 21.716 0.300 1 289 26 26 THR N N 111.011 0.300 1 290 27 27 LYS H H 8.876 0.100 1 291 27 27 LYS HA H 3.78075 0.100 1 292 27 27 LYS HB2 H 1.61825 0.103 1 293 27 27 LYS HD2 H 1.4735 0.105 1 294 27 27 LYS HE2 H 2.7865 0.101 1 295 27 27 LYS HG2 H 1.1555 0.100 1 296 27 27 LYS CA C 59.292 0.300 1 297 27 27 LYS CB C 32.379 0.300 1 298 27 27 LYS CD C 29.840 0.300 1 299 27 27 LYS CE C 41.012 0.300 1 300 27 27 LYS CG C 25.778 0.300 1 301 27 27 LYS N N 121.025 0.300 1 302 28 28 THR H H 7.777 0.100 1 303 28 28 THR HA H 4.393 0.100 1 304 28 28 THR HB H 4.28025 0.100 1 305 28 28 THR HG2 H 0.9885 0.100 1 306 28 28 THR CA C 61.323 0.300 1 307 28 28 THR CB C 69.448 0.300 1 308 28 28 THR CG2 C 21.208 0.300 1 309 28 28 THR N N 104.999 0.300 1 310 29 29 GLY H H 7.213 0.100 1 311 29 29 GLY HA2 H 4.16125 0.100 1 312 29 29 GLY HA3 H 3.2585 0.100 1 313 29 29 GLY CA C 45.074 0.300 1 314 29 29 GLY N N 113.610 0.300 1 315 30 30 LYS H H 8.5815 0.100 1 316 30 30 LYS HA H 4.447 0.101 1 317 30 30 LYS HB2 H 2.055 0.100 1 318 30 30 LYS HB3 H 1.771 0.102 1 319 30 30 LYS HD2 H 1.67325 0.100 1 320 30 30 LYS HD3 H 1.55025 0.104 1 321 30 30 LYS HE2 H 2.8985 0.100 1 322 30 30 LYS HG2 H 1.54625 0.100 1 323 30 30 LYS HG3 H 1.4455 0.101 1 324 30 30 LYS CA C 53.707 0.300 1 325 30 30 LYS CB C 33.903 0.300 1 326 30 30 LYS CD C 30.348 0.300 1 327 30 30 LYS CE C 41.520 0.300 1 328 30 30 LYS CG C 25.270 0.300 1 329 30 30 LYS N N 130.821 0.300 1 330 31 31 PRO HA H 4.426 0.100 1 331 31 31 PRO HB2 H 2.055 0.100 1 332 31 31 PRO HB3 H 1.6125 0.100 1 333 31 31 PRO HD2 H 3.802 0.100 1 334 31 31 PRO HD3 H 3.5525 0.100 1 335 31 31 PRO HG2 H 1.827 0.100 1 336 31 31 PRO HG3 H 1.7685 0.100 1 337 31 31 PRO CA C 61.831 0.300 1 338 31 31 PRO CB C 31.871 0.300 1 339 31 31 PRO CD C 51.168 0.300 1 340 31 31 PRO CG C 26.793 0.300 1 341 32 32 LYS H H 8.2045 0.100 1 342 32 32 LYS HA H 3.365 0.100 1 343 32 32 LYS HB2 H 1.46025 0.100 1 344 32 32 LYS HB3 H 1.2195 0.100 1 345 32 32 LYS HD2 H 1.33075 0.102 1 346 32 32 LYS HD3 H 1.1225 0.101 1 347 32 32 LYS HE2 H 2.134 0.100 1 348 32 32 LYS HE3 H 1.746 0.100 1 349 32 32 LYS HG2 H 1.296 0.107 1 350 32 32 LYS HG3 H 0.76825 0.101 1 351 32 32 LYS CA C 54.214 0.300 1 352 32 32 LYS CB C 33.903 0.300 1 353 32 32 LYS CD C 30.348 0.300 1 354 32 32 LYS CE C 42.027 0.300 1 355 32 32 LYS CG C 25.778 0.300 1 356 32 32 LYS N N 121.518 0.300 1 357 33 33 PRO HA H 4.28775 0.100 1 358 33 33 PRO HB2 H 2.2625 0.100 1 359 33 33 PRO HB3 H 1.74 0.103 1 360 33 33 PRO HD2 H 3.23525 0.100 1 361 33 33 PRO HD3 H 2.732 0.100 1 362 33 33 PRO HG2 H 1.78625 0.101 1 363 33 33 PRO HG3 H 1.58475 0.101 1 364 33 33 PRO CA C 62.847 0.300 1 365 33 33 PRO CB C 33.395 0.300 1 366 33 33 PRO CD C 51.168 0.300 1 367 33 33 PRO CG C 28.317 0.300 1 368 34 34 SER H H 8.6285 0.100 1 369 34 34 SER HA H 4.0155 0.100 1 370 34 34 SER HB2 H 3.83875 0.104 1 371 34 34 SER HB3 H 3.79775 0.104 1 372 34 34 SER CA C 61.323 0.300 1 373 34 34 SER CB C 63.862 0.300 1 374 34 34 SER N N 113.765 0.300 1 375 35 35 THR H H 6.9095 0.100 1 376 35 35 THR HA H 4.81975 0.100 1 377 35 35 THR HB H 4.455 0.101 1 378 35 35 THR HG2 H 1.087 0.100 1 379 35 35 THR CA C 58.785 0.300 1 380 35 35 THR CB C 73.003 0.300 1 381 35 35 THR CG2 C 21.208 0.300 1 382 35 35 THR N N 105.810 0.300 1 383 36 36 TRP H H 9.2225 0.100 1 384 36 36 TRP HA H 3.91675 0.103 1 385 36 36 TRP HB2 H 3.30475 0.103 1 386 36 36 TRP HB3 H 2.94975 0.102 1 387 36 36 TRP HD1 H 6.9525 0.103 1 388 36 36 TRP HE1 H 10.56 0.100 1 389 36 36 TRP HE3 H 6.52225 0.102 1 390 36 36 TRP HH2 H 6.955 0.101 1 391 36 36 TRP HZ2 H 7.32375 0.100 1 392 36 36 TRP HZ3 H 6.537 0.100 1 393 36 36 TRP CA C 57.769 0.300 1 394 36 36 TRP CB C 30.348 0.300 1 395 36 36 TRP CD1 C 124.286 0.300 1 396 36 36 TRP CE3 C 116.595 0.300 1 397 36 36 TRP CH2 C 121.912 0.300 1 398 36 36 TRP CZ2 C 112.222 0.300 1 399 36 36 TRP CZ3 C 119.349 0.300 1 400 36 36 TRP N N 126.877 0.300 1 401 37 37 ASP H H 8.251 0.100 1 402 37 37 ASP HA H 3.66175 0.100 1 403 37 37 ASP HB2 H 2.3315 0.100 1 404 37 37 ASP HB3 H 2.281 0.101 1 405 37 37 ASP CA C 57.769 0.300 1 406 37 37 ASP CB C 40.504 0.300 1 407 37 37 ASP N N 118.063 0.300 1 408 38 38 LEU H H 7.2585 0.101 1 409 38 38 LEU HA H 3.79 0.100 1 410 38 38 LEU HB2 H 1.5745 0.103 1 411 38 38 LEU HB3 H 1.297 0.103 1 412 38 38 LEU HD1 H 0.8005 0.100 1 413 38 38 LEU HD2 H 0.6655 0.100 1 414 38 38 LEU HG H 1.401 0.102 1 415 38 38 LEU CA C 57.261 0.300 1 416 38 38 LEU CB C 42.535 0.300 1 417 38 38 LEU CD1 C 25.270 0.300 1 418 38 38 LEU CD2 C 22.731 0.300 1 419 38 38 LEU CG C 27.301 0.300 1 420 38 38 LEU N N 118.078 0.300 1 421 39 39 ALA H H 7.23 0.100 1 422 39 39 ALA HA H 3.69975 0.102 1 423 39 39 ALA HB H 0.7315 0.100 1 424 39 39 ALA CA C 54.214 0.300 1 425 39 39 ALA CB C 19.684 0.300 1 426 39 39 ALA N N 122.862 0.300 1 427 40 40 SER H H 8.1025 0.100 1 428 40 40 SER HA H 2.96625 0.101 1 429 40 40 SER HB2 H 2.91875 0.103 1 430 40 40 SER HB3 H 2.53975 0.102 1 431 40 40 SER HG H 1.653 0.100 1 432 40 40 SER CA C 60.816 0.300 1 433 40 40 SER CB C 62.339 0.300 1 434 40 40 SER N N 112.283 0.300 1 435 41 41 LYS H H 6.651 0.100 1 436 41 41 LYS HA H 3.726 0.100 1 437 41 41 LYS HB2 H 1.626 0.102 1 438 41 41 LYS HB3 H 1.56 0.101 1 439 41 41 LYS HD2 H 1.40825 0.100 1 440 41 41 LYS HE2 H 2.7075 0.100 1 441 41 41 LYS HG2 H 1.28325 0.101 1 442 41 41 LYS HG3 H 1.19575 0.100 1 443 41 41 LYS CA C 58.785 0.300 1 444 41 41 LYS CB C 32.887 0.300 1 445 41 41 LYS CD C 28.317 0.300 1 446 41 41 LYS CE C 41.520 0.300 1 447 41 41 LYS CG C 25.270 0.300 1 448 41 41 LYS N N 119.364 0.300 1 449 42 42 GLU H H 7.133 0.100 1 450 42 42 GLU HA H 3.9705 0.100 1 451 42 42 GLU HB2 H 1.92625 0.101 1 452 42 42 GLU HB3 H 1.858 0.101 1 453 42 42 GLU HG2 H 2.15875 0.100 1 454 42 42 GLU HG3 H 2.03975 0.101 1 455 42 42 GLU CA C 58.785 0.300 1 456 42 42 GLU CB C 30.856 0.300 1 457 42 42 GLU CG C 36.442 0.300 1 458 42 42 GLU N N 117.649 0.300 1 459 43 43 LEU H H 7.792 0.100 1 460 43 43 LEU HA H 4.22325 0.100 1 461 43 43 LEU HB2 H 1.43825 0.100 1 462 43 43 LEU HB3 H 1.27675 0.100 1 463 43 43 LEU HD1 H 0.84425 0.100 1 464 43 43 LEU HD2 H 0.60375 0.100 1 465 43 43 LEU HG H 1.83875 0.100 1 466 43 43 LEU CA C 55.230 0.300 1 467 43 43 LEU CB C 44.058 0.300 1 468 43 43 LEU CD1 C 27.301 0.300 1 469 43 43 LEU CD2 C 21.208 0.300 1 470 43 43 LEU CG C 25.778 0.300 1 471 43 43 LEU N N 116.082 0.300 1 472 44 44 GLY H H 6.9535 0.100 1 473 44 44 GLY HA2 H 3.1225 0.102 1 474 44 44 GLY HA3 H 1.93275 0.100 1 475 44 44 GLY CA C 46.597 0.300 1 476 44 44 GLY N N 106.968 0.300 1 477 45 45 GLU H H 7.613 0.100 1 478 45 45 GLU HA H 4.2155 0.100 1 479 45 45 GLU HB2 H 2.0305 0.101 1 480 45 45 GLU HB3 H 1.52475 0.100 1 481 45 45 GLU HG2 H 2.07825 0.103 1 482 45 45 GLU HG3 H 1.946 0.101 1 483 45 45 GLU CA C 54.722 0.300 1 484 45 45 GLU CB C 29.840 0.300 1 485 45 45 GLU CG C 35.934 0.300 1 486 45 45 GLU N N 114.475 0.300 1 487 46 46 SER H H 7.9455 0.100 1 488 46 46 SER HA H 4.20125 0.100 1 489 46 46 SER HB2 H 4.126 0.100 1 490 46 46 SER HB3 H 3.99775 0.100 1 491 46 46 SER CA C 59.292 0.300 1 492 46 46 SER CB C 64.370 0.300 1 493 46 46 SER N N 117.665 0.300 1 494 47 47 LEU H H 8.91 0.100 1 495 47 47 LEU HA H 3.794 0.100 1 496 47 47 LEU HB2 H 1.5625 0.102 1 497 47 47 LEU HB3 H 1.378 0.100 1 498 47 47 LEU HD1 H 0.76175 0.100 1 499 47 47 LEU HD2 H 0.695 0.100 1 500 47 47 LEU HG H 1.634 0.100 1 501 47 47 LEU CA C 58.277 0.300 1 502 47 47 LEU CB C 41.012 0.300 1 503 47 47 LEU CD1 C 24.255 0.300 1 504 47 47 LEU CD2 C 24.255 0.300 1 505 47 47 LEU CG C 27.301 0.300 1 506 47 47 LEU N N 125.659 0.300 1 507 48 48 GLU H H 10.609 0.100 1 508 48 48 GLU HA H 3.85175 0.100 1 509 48 48 GLU HB2 H 2.13625 0.103 1 510 48 48 GLU HB3 H 1.712 0.100 1 511 48 48 GLU HG2 H 2.4775 0.100 1 512 48 48 GLU HG3 H 2.05 0.104 1 513 48 48 GLU CA C 60.816 0.300 1 514 48 48 GLU CB C 28.825 0.300 1 515 48 48 GLU CG C 37.457 0.300 1 516 48 48 GLU N N 118.244 0.300 1 517 49 49 TYR H H 7.499 0.100 1 518 49 49 TYR HA H 3.7685 0.100 1 519 49 49 TYR HB2 H 3.40125 0.100 1 520 49 49 TYR HB3 H 2.555 0.100 1 521 49 49 TYR HD1 H 6.70125 0.100 3 522 49 49 TYR HD2 H 6.70125 0.100 3 523 49 49 TYR HE1 H 6.6185 0.100 3 524 49 49 TYR HE2 H 6.6185 0.100 3 525 49 49 TYR CA C 61.323 0.300 1 526 49 49 TYR CB C 39.996 0.300 1 527 49 49 TYR CD1 C 130.284 0.300 1 528 49 49 TYR CE1 C 115.473 0.300 1 529 49 49 TYR N N 118.018 0.300 1 530 50 50 LYS H H 8.13 0.100 1 531 50 50 LYS HA H 3.9285 0.100 1 532 50 50 LYS HB2 H 1.77825 0.104 1 533 50 50 LYS HD2 H 1.4965 0.100 1 534 50 50 LYS HE2 H 2.804 0.100 1 535 50 50 LYS HG2 H 1.68175 0.104 1 536 50 50 LYS HG3 H 1.4065 0.100 1 537 50 50 LYS CA C 59.800 0.300 1 538 50 50 LYS CB C 32.887 0.300 1 539 50 50 LYS CD C 30.348 0.300 1 540 50 50 LYS CE C 42.027 0.300 1 541 50 50 LYS CG C 26.286 0.300 1 542 50 50 LYS N N 120.322 0.300 1 543 51 51 ALA H H 8.192 0.100 1 544 51 51 ALA HA H 4.02175 0.102 1 545 51 51 ALA HB H 1.3635 0.301 1 546 51 51 ALA HB H 1.3635 0.101 1 547 51 51 ALA CA C 54.214 0.300 1 548 51 51 ALA CB C 18.669 0.300 1 549 51 51 ALA N N 121.402 0.300 1 550 52 52 LEU H H 6.666 0.100 1 551 52 52 LEU HA H 4.241 0.101 1 552 52 52 LEU HB2 H 1.467 0.101 1 553 52 52 LEU HB3 H 0.982 0.100 1 554 52 52 LEU HD1 H 0.5985 0.101 1 555 52 52 LEU HD2 H 0.35425 0.100 1 556 52 52 LEU HG H 1.26575 0.100 1 557 52 52 LEU CA C 54.214 0.300 1 558 52 52 LEU CB C 43.043 0.300 1 559 52 52 LEU CD1 C 24.255 0.300 1 560 52 52 LEU CD2 C 26.793 0.300 1 561 52 52 LEU CG C 27.809 0.300 1 562 52 52 LEU N N 115.425 0.300 1 563 53 53 GLY H H 7.587 0.100 1 564 53 53 GLY HA2 H 3.65675 0.100 1 565 53 53 GLY HA3 H 3.50775 0.101 1 566 53 53 GLY CA C 47.613 0.300 1 567 53 53 GLY N N 107.319 0.300 1 568 54 54 ASP H H 8.6425 0.100 1 569 54 54 ASP HA H 4.67975 0.101 1 570 54 54 ASP HB2 H 2.65675 0.103 1 571 54 54 ASP HB3 H 2.458 0.100 1 572 54 54 ASP CA C 54.214 0.300 1 573 54 54 ASP CB C 41.012 0.300 1 574 54 54 ASP N N 123.226 0.300 1 575 55 55 GLU H H 7.6295 0.100 1 576 55 55 GLU HA H 4.513 0.100 1 577 55 55 GLU HB2 H 1.9075 0.102 1 578 55 55 GLU HB3 H 1.65725 0.104 1 579 55 55 GLU HG2 H 2.01675 0.100 1 580 55 55 GLU CA C 54.214 0.300 1 581 55 55 GLU CB C 27.301 0.300 1 582 55 55 GLU CG C 34.410 0.300 1 583 55 55 GLU N N 121.853 0.300 1 584 56 56 ASP H H 8.1905 0.100 1 585 56 56 ASP HA H 3.90775 0.100 1 586 56 56 ASP HB2 H 2.55625 0.101 1 587 56 56 ASP HB3 H 2.34175 0.101 1 588 56 56 ASP CA C 57.769 0.300 1 589 56 56 ASP CB C 42.535 0.300 1 590 56 56 ASP N N 122.580 0.300 1 591 57 57 ASN H H 8.5555 0.100 1 592 57 57 ASN HA H 4.06925 0.100 1 593 57 57 ASN HB2 H 2.5985 0.101 1 594 57 57 ASN HB3 H 2.53375 0.104 1 595 57 57 ASN HD21 H 7.555 0.102 1 596 57 57 ASN HD22 H 6.864 0.104 1 597 57 57 ASN CA C 56.753 0.300 1 598 57 57 ASN CB C 36.949 0.300 1 599 57 57 ASN N N 114.014 0.300 1 600 58 58 ILE H H 7.222 0.101 1 601 58 58 ILE HA H 3.59375 0.100 1 602 58 58 ILE HB H 1.7965 0.101 1 603 58 58 ILE HD1 H 0.6535 0.100 1 604 58 58 ILE HG12 H 1.50475 0.103 1 605 58 58 ILE HG13 H 0.97975 0.102 1 606 58 58 ILE HG2 H 0.6745 0.102 1 607 58 58 ILE CA C 64.370 0.300 1 608 58 58 ILE CB C 36.949 0.300 1 609 58 58 ILE CD1 C 12.575 0.300 1 610 58 58 ILE CG1 C 28.825 0.300 1 611 58 58 ILE CG2 C 18.161 0.300 1 612 58 58 ILE N N 120.543 0.300 1 613 59 59 ARG H H 6.8425 0.100 1 614 59 59 ARG HA H 3.24125 0.101 1 615 59 59 ARG HB2 H 1.3705 0.100 1 616 59 59 ARG HB3 H 1.053 0.100 1 617 59 59 ARG HD2 H 2.261 0.102 1 618 59 59 ARG HD3 H 1.80375 0.100 1 619 59 59 ARG HE H 7.322 0.100 1 620 59 59 ARG HG2 H 1.015 0.104 1 621 59 59 ARG HG3 H 0.3495 0.101 1 622 59 59 ARG HH11 H 6.795 0.101 1 623 59 59 ARG HH12 H 6.795 0.101 1 624 59 59 ARG HH21 H 6.754 0.101 1 625 59 59 ARG CA C 59.800 0.300 1 626 59 59 ARG CB C 30.856 0.300 1 627 59 59 ARG CD C 43.043 0.300 1 628 59 59 ARG CG C 29.332 0.300 1 629 59 59 ARG N N 116.489 0.300 1 630 60 60 ARG H H 7.71 0.100 1 631 60 60 ARG HA H 2.271 0.100 1 632 60 60 ARG HB2 H 1.18975 0.102 1 633 60 60 ARG HB3 H 0.82125 0.100 1 634 60 60 ARG HD2 H 2.82125 0.102 1 635 60 60 ARG HD3 H 2.74975 0.101 1 636 60 60 ARG HE H 7.443 0.100 1 637 60 60 ARG HG2 H 0.7585 0.100 1 638 60 60 ARG HG3 H 0.60675 0.100 1 639 60 60 ARG HH11 H 6.852 0.101 1 640 60 60 ARG HH12 H 6.852 0.101 1 641 60 60 ARG HH21 H 6.447 0.100 1 642 60 60 ARG CA C 59.800 0.300 1 643 60 60 ARG CB C 29.840 0.300 1 644 60 60 ARG CD C 43.551 0.300 1 645 60 60 ARG CG C 27.301 0.300 1 646 60 60 ARG N N 117.622 0.300 1 647 61 61 GLN H H 7.4525 0.100 1 648 61 61 GLN HA H 3.70825 0.102 1 649 61 61 GLN HB2 H 1.9685 0.101 1 650 61 61 GLN HE21 H 7.416 0.100 1 651 61 61 GLN HE22 H 6.542 0.100 1 652 61 61 GLN HG2 H 2.23125 0.100 1 653 61 61 GLN HG3 H 2.13475 0.100 1 654 61 61 GLN CA C 58.785 0.300 1 655 61 61 GLN CB C 28.317 0.300 1 656 61 61 GLN CG C 33.395 0.300 1 657 61 61 GLN N N 116.792 0.300 1 658 62 62 ILE H H 7.7515 0.100 1 659 62 62 ILE HA H 3.624 0.100 1 660 62 62 ILE HB H 1.90375 0.100 1 661 62 62 ILE HD1 H 0.8825 0.100 1 662 62 62 ILE HG12 H 1.87525 0.100 1 663 62 62 ILE HG13 H 1.04875 0.102 1 664 62 62 ILE HG2 H 0.968 0.100 1 665 62 62 ILE CA C 65.386 0.300 1 666 62 62 ILE CB C 38.473 0.300 1 667 62 62 ILE CD1 C 15.114 0.300 1 668 62 62 ILE CG1 C 28.825 0.300 1 669 62 62 ILE CG2 C 17.145 0.300 1 670 62 62 ILE N N 118.652 0.300 1 671 63 63 PHE H H 7.9885 0.100 1 672 63 63 PHE HA H 3.95275 0.100 1 673 63 63 PHE HB2 H 3.1695 0.101 1 674 63 63 PHE HB3 H 3.03525 0.102 1 675 63 63 PHE HD1 H 7.1805 0.100 3 676 63 63 PHE HD2 H 7.1805 0.100 3 677 63 63 PHE HE1 H 6.9765 0.100 3 678 63 63 PHE HE2 H 6.9765 0.100 3 679 63 63 PHE HZ H 7.159 0.100 1 680 63 63 PHE CA C 62.847 0.300 1 681 63 63 PHE CB C 40.504 0.300 1 682 63 63 PHE CD1 C 129.115 0.300 1 683 63 63 PHE CE1 C 128.749 0.300 1 684 63 63 PHE CZ C 128.274 0.300 1 685 63 63 PHE N N 118.167 0.300 1 686 64 64 GLU H H 8.8795 0.100 1 687 64 64 GLU HA H 3.63675 0.100 1 688 64 64 GLU HB2 H 1.964 0.100 1 689 64 64 GLU HB3 H 1.882 0.100 1 690 64 64 GLU HG2 H 2.39425 0.101 1 691 64 64 GLU HG3 H 2.273 0.105 1 692 64 64 GLU CA C 59.800 0.300 1 693 64 64 GLU CB C 29.332 0.300 1 694 64 64 GLU CG C 36.442 0.300 1 695 64 64 GLU N N 120.579 0.300 1 696 65 65 ASP H H 7.713 0.100 1 697 65 65 ASP HA H 4.27725 0.100 1 698 65 65 ASP HB2 H 2.5955 0.100 1 699 65 65 ASP CA C 56.246 0.300 1 700 65 65 ASP CB C 41.520 0.300 1 701 65 65 ASP N N 116.584 0.300 1 702 66 66 PHE H H 7.368 0.100 1 703 66 66 PHE HA H 4.28575 0.102 1 704 66 66 PHE HB2 H 3.1525 0.100 1 705 66 66 PHE HB3 H 2.69475 0.100 1 706 66 66 PHE HD1 H 6.64925 0.101 3 707 66 66 PHE HD2 H 6.64925 0.101 3 708 66 66 PHE HE1 H 6.772 0.100 3 709 66 66 PHE HE2 H 6.772 0.100 3 710 66 66 PHE HZ H 7.338 0.100 1 711 66 66 PHE CA C 58.785 0.300 1 712 66 66 PHE CB C 40.504 0.300 1 713 66 66 PHE CD1 C 128.464 0.300 1 714 66 66 PHE CE1 C 127.705 0.300 1 715 66 66 PHE CZ C 125.758 0.300 1 716 66 66 PHE N N 121.913 0.300 1 717 67 67 LYS H H 7.791 0.100 1 718 67 67 LYS HA H 4.248 0.101 1 719 67 67 LYS HB2 H 1.372 0.100 1 720 67 67 LYS HD2 H 1.4295 0.101 1 721 67 67 LYS HE2 H 2.7745 0.103 1 722 67 67 LYS HG2 H 1.1955 0.103 1 723 67 67 LYS HG3 H 1.106 0.100 1 724 67 67 LYS CA C 51.675 0.300 1 725 67 67 LYS CB C 34.410 0.300 1 726 67 67 LYS CD C 29.332 0.300 1 727 67 67 LYS CE C 42.535 0.300 1 728 67 67 LYS CG C 24.762 0.300 1 729 67 67 LYS N N 129.906 0.300 1 730 68 68 PRO HA H 4.013 0.100 1 731 68 68 PRO HB2 H 1.8565 0.100 1 732 68 68 PRO HB3 H 1.48075 0.100 1 733 68 68 PRO HD2 H 3.367 0.100 1 734 68 68 PRO HD3 H 2.9335 0.100 1 735 68 68 PRO HG2 H 1.8315 0.100 1 736 68 68 PRO HG3 H 1.5655 0.100 1 737 68 68 PRO CA C 62.339 0.300 1 738 68 68 PRO CB C 32.887 0.300 1 739 68 68 PRO CD C 50.660 0.300 1 740 68 68 PRO CG C 27.809 0.300 1 741 69 69 GLU H H 8.677 0.100 1 742 69 69 GLU HA H 4.05175 0.100 1 743 69 69 GLU HB2 H 1.94725 0.100 1 744 69 69 GLU HB3 H 1.765 0.102 1 745 69 69 GLU HG2 H 2.18575 0.102 1 746 69 69 GLU HG3 H 2.121 0.102 1 747 69 69 GLU CA C 57.261 0.300 1 748 69 69 GLU CB C 32.887 0.300 1 749 69 69 GLU CG C 36.949 0.300 1 750 69 69 GLU N N 128.169 0.300 1 stop_ save_