data_15085 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Assignment of a hypothetical portein RP4601 (NESG ID: RpT2)from Rhodopseudomonas palustris. ; _BMRB_accession_number 15085 _BMRB_flat_file_name bmr15085.str _Entry_type original _Submission_date 2006-12-22 _Accession_date 2006-12-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Northeast Structural Genomics Consortium (NESG) target RpT2; Ontario Centre for Structural Proteomics Target RP4601' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lemak Alexander . . 2 Srisailam Sampath . . 3 Yee Adelinda . . 4 Karra Murthy D. . 5 Lukin Jonathan A. . 6 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 370 "13C chemical shifts" 267 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 original author . stop_ _Original_release_date 2007-02-09 save_ ############################# # Citation for this entry # ############################# save_Rp4601_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignment of a hypothetical protein RP4601 from Rhodopseudomonas palustris' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lemak Alexander . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RP4601_assembly _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RP4601_aasem $RP4601 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_RP4601 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RP4601 _Molecular_mass 7260.643 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MKVMIRKTATGHSAYVAKKD LEELIVEMENPALWGGKVTL ANGWQLELPAMAADTPLPIT VEARKL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 MET 5 ILE 6 ARG 7 LYS 8 THR 9 ALA 10 THR 11 GLY 12 HIS 13 SER 14 ALA 15 TYR 16 VAL 17 ALA 18 LYS 19 LYS 20 ASP 21 LEU 22 GLU 23 GLU 24 LEU 25 ILE 26 VAL 27 GLU 28 MET 29 GLU 30 ASN 31 PRO 32 ALA 33 LEU 34 TRP 35 GLY 36 GLY 37 LYS 38 VAL 39 THR 40 LEU 41 ALA 42 ASN 43 GLY 44 TRP 45 GLN 46 LEU 47 GLU 48 LEU 49 PRO 50 ALA 51 MET 52 ALA 53 ALA 54 ASP 55 THR 56 PRO 57 LEU 58 PRO 59 ILE 60 THR 61 VAL 62 GLU 63 ALA 64 ARG 65 LYS 66 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 2JN4 "Solution Nmr Structure Of Protein Rp4601 From Rhodopseudomonas Palustris. Northeast Structural Genomics Consortium Target Rpt2;" 100.00 87 100.00 100.00 7.03e-39 EMBL CAE30063 "conserved hypothetical protein [Rhodopseudomonas palustris CGA009]" 100.00 66 100.00 100.00 1.98e-38 GB ACF03593 "nitrogen fixation protein FixT [Rhodopseudomonas palustris TIE-1]" 100.00 66 100.00 100.00 1.98e-38 REF WP_011160155 "protein fixU [Rhodopseudomonas palustris]" 100.00 66 100.00 100.00 1.98e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $RP4601 'E. coli' 562 Bacteria . Escherichia coli 'Bl21 DE3 Gold Magic' 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 $RP4601 'recombinant technology' . Escherichia coli . 'BL21 DE3 Gold Magic' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_RP4601_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RP4601 . mM 0.7 1.2 '[U-100% 13C; U-100% 15N]' NaN3 0.01 % . . . Zn 10 uM . . . DTT 10 mM . . . H2O 90 % . . . D2O 10 % . . . Benzamidine 1 mM . . . stop_ save_ save_RP4601_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RP4601 . mM 0.6 1.1 '[U-100% 13C; U-100% 15N]' D2O 100 % . . . NaN3 0.01 % . . . Zn 10 uM . . . DTT 10 mM . . . Benzamidine 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.6 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _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 $RP4601_sample1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $RP4601_sample1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $RP4601_sample1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $RP4601_sample1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $RP4601_sample1 save_ save_HBHACBCAcoNH_4D_projection_Reconstruction_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HBHACBCAcoNH 4D projection Reconstruction' _Sample_label $RP4601_sample1 save_ save_HCCCcoNH_Tocsy_4D_Projection_Reconstruction_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCCcoNH Tocsy 4D Projection Reconstruction' _Sample_label $RP4601_sample1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $RP4601_sample1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $RP4601_sample1 save_ save_3D_HN(COCA)CB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $RP4601_sample1 save_ save_3D_HCCH-TOCSY_(H-Tocsy)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (H-Tocsy)' _Sample_label $RP4601_sample2 save_ save_HCCH-TOCSY_(C-Tocsy)_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY (C-Tocsy)' _Sample_label $RP4601_sample2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $RP4601_sample2 save_ ####################### # Sample conditions # ####################### save_rp4601_conditions_1 _Saveframe_category sample_conditions _Details 'Sample contains 0.01% NaN3; 10uM Zn; 10mM DTT; 1mM Benzamidine' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 500 . mM pH 5.0 . pH pressure 1 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 na indirect . . . 0.251449530 $Rp4601_citation $Rp4601_citation DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 $Rp4601_citation $Rp4601_citation DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 $Rp4601_citation $Rp4601_citation 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D CBCA(CO)NH' 'HBHACBCAcoNH 4D projection Reconstruction' 'HCCCcoNH Tocsy 4D Projection Reconstruction' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HN(COCA)CB' '3D HCCH-TOCSY (H-Tocsy)' 'HCCH-TOCSY (C-Tocsy)' stop_ loop_ _Sample_label $RP4601_sample1 $RP4601_sample2 stop_ _Sample_conditions_label $rp4601_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RP4601_aasem _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.731 0.020 1 2 1 1 MET HA H 4.712 0.020 1 3 1 1 MET HB2 H 1.886 0.020 2 4 1 1 MET HB3 H 2.021 0.020 2 5 1 1 MET HG2 H 2.370 0.020 1 6 1 1 MET HG3 H 2.370 0.020 1 7 1 1 MET C C 174.330 0.400 1 8 1 1 MET CA C 54.910 0.400 1 9 1 1 MET CB C 35.732 0.400 1 10 1 1 MET CG C 31.360 0.400 1 11 1 1 MET N N 120.783 0.400 1 12 2 2 LYS H H 8.629 0.020 1 13 2 2 LYS HA H 4.930 0.020 1 14 2 2 LYS HB2 H 1.894 0.020 2 15 2 2 LYS HB3 H 1.586 0.020 2 16 2 2 LYS HG2 H 1.536 0.020 2 17 2 2 LYS HG3 H 1.346 0.020 2 18 2 2 LYS HD2 H 1.653 0.020 2 19 2 2 LYS HD3 H 1.619 0.020 2 20 2 2 LYS HE2 H 2.974 0.020 1 21 2 2 LYS HE3 H 2.974 0.020 1 22 2 2 LYS C C 176.553 0.400 1 23 2 2 LYS CA C 55.900 0.400 1 24 2 2 LYS CB C 32.530 0.400 1 25 2 2 LYS CG C 25.250 0.400 1 26 2 2 LYS CD C 29.080 0.400 1 27 2 2 LYS CE C 42.000 0.400 1 28 2 2 LYS N N 124.831 0.400 1 29 3 3 VAL H H 9.365 0.020 1 30 3 3 VAL HA H 4.923 0.020 1 31 3 3 VAL HB H 1.869 0.020 1 32 3 3 VAL HG1 H 0.880 0.400 2 33 3 3 VAL HG2 H 0.900 0.400 2 34 3 3 VAL C C 172.730 0.400 1 35 3 3 VAL CA C 59.740 0.400 1 36 3 3 VAL CB C 35.760 0.400 1 37 3 3 VAL CG1 C 21.700 0.400 1 38 3 3 VAL CG2 C 22.000 0.400 1 39 3 3 VAL N N 123.483 0.400 1 40 4 4 MET H H 9.470 0.020 1 41 4 4 MET HA H 5.588 0.020 1 42 4 4 MET HB2 H 2.338 0.020 2 43 4 4 MET HB3 H 2.201 0.020 2 44 4 4 MET HG2 H 2.497 0.020 2 45 4 4 MET HG3 H 2.218 0.020 2 46 4 4 MET C C 175.522 0.400 1 47 4 4 MET CA C 54.000 0.400 1 48 4 4 MET CB C 36.100 0.400 1 49 4 4 MET CG C 31.500 0.400 1 50 4 4 MET N N 127.422 0.400 1 51 5 5 ILE H H 9.252 0.020 1 52 5 5 ILE HA H 5.158 0.020 1 53 5 5 ILE HB H 2.248 0.020 1 54 5 5 ILE HG12 H 1.696 0.020 2 55 5 5 ILE HG13 H 1.468 0.020 2 56 5 5 ILE HG2 H 0.826 0.400 1 57 5 5 ILE HD1 H 0.699 0.400 1 58 5 5 ILE C C 174.694 0.400 1 59 5 5 ILE CA C 58.280 0.400 1 60 5 5 ILE CB C 36.820 0.400 1 61 5 5 ILE CG1 C 26.820 0.400 1 62 5 5 ILE CG2 C 17.300 0.400 1 63 5 5 ILE CD1 C 10.490 0.400 1 64 5 5 ILE N N 130.057 0.400 1 65 6 6 ARG H H 8.709 0.020 1 66 6 6 ARG HA H 4.864 0.020 1 67 6 6 ARG HB2 H 1.819 0.020 2 68 6 6 ARG HB3 H 1.694 0.020 2 69 6 6 ARG HG2 H 1.535 0.020 2 70 6 6 ARG HG3 H 1.440 0.020 2 71 6 6 ARG HD2 H 2.995 0.020 1 72 6 6 ARG HD3 H 2.995 0.020 1 73 6 6 ARG C C 174.578 0.400 1 74 6 6 ARG CA C 54.130 0.400 1 75 6 6 ARG CB C 34.142 0.400 1 76 6 6 ARG CG C 27.498 0.400 1 77 6 6 ARG CD C 43.930 0.400 1 78 6 6 ARG N N 123.268 0.400 1 79 7 7 LYS H H 9.211 0.020 1 80 7 7 LYS HA H 4.537 0.020 1 81 7 7 LYS HB2 H 1.862 0.020 2 82 7 7 LYS HB3 H 1.522 0.020 2 83 7 7 LYS HG2 H 1.329 0.020 2 84 7 7 LYS HG3 H 1.193 0.020 2 85 7 7 LYS HD2 H 1.447 0.020 1 86 7 7 LYS HD3 H 1.447 0.020 1 87 7 7 LYS HE2 H 2.886 0.020 1 88 7 7 LYS HE3 H 2.886 0.020 1 89 7 7 LYS C C 176.553 0.400 1 90 7 7 LYS CA C 55.480 0.400 1 91 7 7 LYS CB C 34.090 0.400 1 92 7 7 LYS CG C 24.320 0.400 1 93 7 7 LYS CD C 28.800 0.400 1 94 7 7 LYS CE C 41.980 0.400 1 95 7 7 LYS N N 123.125 0.400 1 96 8 8 THR H H 8.279 0.020 1 97 8 8 THR HA H 4.667 0.020 1 98 8 8 THR HB H 4.010 0.020 1 99 8 8 THR HG2 H 1.140 0.400 1 100 8 8 THR CA C 59.760 0.400 1 101 8 8 THR CB C 70.810 0.400 1 102 8 8 THR CG2 C 21.970 0.400 1 103 8 8 THR N N 119.217 0.400 1 104 10 10 THR HA H 4.446 0.020 1 105 10 10 THR HB H 4.417 0.020 1 106 10 10 THR HG2 H 1.105 0.400 1 107 10 10 THR C C 174.398 0.400 1 108 10 10 THR CA C 60.602 0.400 1 109 10 10 THR CB C 69.850 0.400 1 110 10 10 THR CG2 C 21.700 0.400 1 111 11 11 GLY H H 7.235 0.020 1 112 11 11 GLY HA2 H 4.109 0.020 2 113 11 11 GLY HA3 H 3.859 0.020 2 114 11 11 GLY C C 172.521 0.400 1 115 11 11 GLY CA C 46.300 0.400 1 116 11 11 GLY N N 111.526 0.400 1 117 12 12 HIS H H 9.086 0.020 1 118 12 12 HIS HA H 5.436 0.020 1 119 12 12 HIS HB2 H 2.990 0.020 2 120 12 12 HIS HB3 H 2.580 0.020 2 121 12 12 HIS HD2 H 6.451 0.020 1 122 12 12 HIS C C 173.706 0.400 1 123 12 12 HIS CA C 57.100 0.400 1 124 12 12 HIS CB C 35.000 0.400 1 125 12 12 HIS N N 124.050 0.400 1 126 13 13 SER H H 9.356 0.020 1 127 13 13 SER HA H 5.060 0.020 1 128 13 13 SER HB2 H 3.555 0.400 1 129 13 13 SER HB3 H 3.555 0.400 1 130 13 13 SER C C 171.185 0.400 1 131 13 13 SER CA C 56.560 0.400 1 132 13 13 SER CB C 66.720 0.400 1 133 13 13 SER N N 116.372 0.400 1 134 14 14 ALA H H 8.999 0.020 1 135 14 14 ALA HA H 5.371 0.020 1 136 14 14 ALA HB H 1.121 0.400 1 137 14 14 ALA C C 174.794 0.400 1 138 14 14 ALA CA C 49.860 0.400 1 139 14 14 ALA CB C 21.940 0.400 1 140 14 14 ALA N N 122.583 0.400 1 141 15 15 TYR H H 9.490 0.020 1 142 15 15 TYR HA H 5.694 0.020 1 143 15 15 TYR HB2 H 2.980 0.020 1 144 15 15 TYR HB3 H 2.980 0.020 1 145 15 15 TYR HD1 H 7.051 0.020 1 146 15 15 TYR HD2 H 7.051 0.020 1 147 15 15 TYR C C 175.046 0.400 1 148 15 15 TYR CA C 55.080 0.400 1 149 15 15 TYR CB C 40.640 0.400 1 150 15 15 TYR N N 122.423 0.400 1 151 16 16 VAL H H 9.178 0.020 1 152 16 16 VAL HA H 4.204 0.020 1 153 16 16 VAL HB H 2.151 0.020 1 154 16 16 VAL HG1 H 0.952 0.400 2 155 16 16 VAL HG2 H 1.087 0.400 2 156 16 16 VAL C C 175.754 0.400 1 157 16 16 VAL CA C 60.660 0.400 1 158 16 16 VAL CB C 31.800 0.400 1 159 16 16 VAL CG1 C 19.790 0.400 1 160 16 16 VAL CG2 C 22.400 0.400 1 161 16 16 VAL N N 130.486 0.400 1 162 17 17 ALA H H 8.375 0.020 1 163 17 17 ALA HA H 3.633 0.020 1 164 17 17 ALA HB H 1.445 0.400 1 165 17 17 ALA CA C 56.026 0.400 1 166 17 17 ALA CB C 18.305 0.400 1 167 17 17 ALA N N 132.119 0.400 1 168 18 18 LYS HA H 4.115 0.020 1 169 18 18 LYS HB2 H 1.962 0.020 2 170 18 18 LYS HB3 H 1.810 0.020 2 171 18 18 LYS HG2 H 1.545 0.020 2 172 18 18 LYS HG3 H 1.270 0.020 2 173 18 18 LYS HD2 H 1.961 0.020 2 174 18 18 LYS HD3 H 1.773 0.020 2 175 18 18 LYS HE2 H 3.033 0.020 1 176 18 18 LYS HE3 H 3.033 0.020 1 177 18 18 LYS C C 176.000 0.400 1 178 18 18 LYS CA C 58.656 0.400 1 179 18 18 LYS CB C 32.550 0.400 1 180 18 18 LYS CG C 25.351 0.400 1 181 18 18 LYS CD C 29.100 0.400 1 182 18 18 LYS CE C 41.990 0.400 1 183 19 19 LYS H H 6.821 0.020 1 184 19 19 LYS HA H 4.551 0.020 1 185 19 19 LYS HB2 H 2.180 0.020 2 186 19 19 LYS HB3 H 1.420 0.020 2 187 19 19 LYS HG2 H 1.530 0.020 2 188 19 19 LYS HG3 H 1.440 0.020 2 189 19 19 LYS HD2 H 1.828 0.020 2 190 19 19 LYS HD3 H 1.764 0.020 2 191 19 19 LYS HE2 H 3.033 0.020 2 192 19 19 LYS HE3 H 2.976 0.020 2 193 19 19 LYS C C 174.430 0.400 1 194 19 19 LYS CA C 53.982 0.400 1 195 19 19 LYS CB C 33.900 0.400 1 196 19 19 LYS CG C 25.120 0.400 1 197 19 19 LYS CD C 28.300 0.400 1 198 19 19 LYS CE C 42.000 0.400 1 199 19 19 LYS N N 113.718 0.400 1 200 20 20 ASP H H 7.894 0.020 1 201 20 20 ASP HA H 4.140 0.020 1 202 20 20 ASP HB2 H 3.109 0.020 2 203 20 20 ASP HB3 H 2.463 0.020 2 204 20 20 ASP C C 173.438 0.400 1 205 20 20 ASP CA C 55.101 0.400 1 206 20 20 ASP CB C 39.910 0.400 1 207 20 20 ASP N N 120.149 0.400 1 208 21 21 LEU H H 6.890 0.020 1 209 21 21 LEU HA H 4.646 0.020 1 210 21 21 LEU HB2 H 1.403 0.020 2 211 21 21 LEU HB3 H 1.270 0.020 2 212 21 21 LEU HG H 1.270 0.020 1 213 21 21 LEU HD1 H 0.419 0.400 2 214 21 21 LEU HD2 H 0.560 0.400 2 215 21 21 LEU C C 173.884 0.400 1 216 21 21 LEU CA C 53.800 0.400 1 217 21 21 LEU CB C 46.485 0.400 1 218 21 21 LEU CG C 26.700 0.400 1 219 21 21 LEU CD1 C 25.390 0.400 1 220 21 21 LEU CD2 C 24.700 0.400 1 221 21 21 LEU N N 118.102 0.400 1 222 22 22 GLU H H 8.829 0.020 1 223 22 22 GLU HA H 5.490 0.020 1 224 22 22 GLU HB2 H 2.033 0.020 2 225 22 22 GLU HB3 H 1.948 0.020 2 226 22 22 GLU HG2 H 2.004 0.020 1 227 22 22 GLU HG3 H 2.004 0.020 1 228 22 22 GLU C C 175.032 0.400 1 229 22 22 GLU CA C 55.000 0.400 1 230 22 22 GLU CB C 32.530 0.400 1 231 22 22 GLU CG C 36.720 0.400 1 232 22 22 GLU N N 127.699 0.400 1 233 23 23 GLU H H 8.724 0.020 1 234 23 23 GLU HA H 4.827 0.020 1 235 23 23 GLU HB2 H 2.154 0.020 2 236 23 23 GLU HB3 H 1.453 0.020 2 237 23 23 GLU HG2 H 1.900 0.020 2 238 23 23 GLU HG3 H 1.790 0.020 2 239 23 23 GLU C C 175.157 0.400 1 240 23 23 GLU CA C 53.350 0.400 1 241 23 23 GLU CB C 34.100 0.400 1 242 23 23 GLU CG C 36.050 0.400 1 243 23 23 GLU N N 123.997 0.400 1 244 24 24 LEU H H 8.745 0.020 1 245 24 24 LEU HA H 4.200 0.020 1 246 24 24 LEU HB2 H 1.464 0.020 2 247 24 24 LEU HB3 H 1.530 0.020 2 248 24 24 LEU HG H 1.685 0.020 1 249 24 24 LEU HD1 H 0.860 0.400 2 250 24 24 LEU HD2 H 0.807 0.400 2 251 24 24 LEU C C 176.805 0.400 1 252 24 24 LEU CA C 55.480 0.400 1 253 24 24 LEU CB C 42.700 0.400 1 254 24 24 LEU CG C 27.040 0.400 1 255 24 24 LEU CD1 C 24.550 0.400 1 256 24 24 LEU CD2 C 23.730 0.400 1 257 24 24 LEU N N 121.523 0.400 1 258 25 25 ILE H H 8.389 0.020 1 259 25 25 ILE HA H 4.214 0.020 1 260 25 25 ILE HB H 1.709 0.020 1 261 25 25 ILE HG12 H 1.586 0.020 2 262 25 25 ILE HG13 H 0.754 0.020 2 263 25 25 ILE HG2 H 0.814 0.400 1 264 25 25 ILE HD1 H 0.672 0.400 1 265 25 25 ILE C C 176.193 0.400 1 266 25 25 ILE CA C 62.647 0.400 1 267 25 25 ILE CB C 37.650 0.400 1 268 25 25 ILE CG1 C 29.050 0.400 1 269 25 25 ILE CG2 C 18.100 0.400 1 270 25 25 ILE CD1 C 14.010 0.400 1 271 25 25 ILE N N 121.872 0.400 1 272 26 26 VAL H H 8.745 0.020 1 273 26 26 VAL HA H 4.608 0.020 1 274 26 26 VAL HB H 2.290 0.020 1 275 26 26 VAL HG1 H 0.874 0.400 2 276 26 26 VAL HG2 H 0.659 0.400 2 277 26 26 VAL C C 175.694 0.400 1 278 26 26 VAL CA C 61.660 0.400 1 279 26 26 VAL CB C 32.530 0.400 1 280 26 26 VAL CG1 C 21.880 0.400 1 281 26 26 VAL CG2 C 18.500 0.400 1 282 26 26 VAL N N 121.523 0.400 1 283 27 27 GLU H H 7.621 0.020 1 284 27 27 GLU HA H 4.558 0.020 1 285 27 27 GLU HB2 H 1.904 0.020 1 286 27 27 GLU HB3 H 1.904 0.020 1 287 27 27 GLU HG2 H 2.190 0.020 1 288 27 27 GLU HG3 H 2.190 0.020 1 289 27 27 GLU C C 173.964 0.400 1 290 27 27 GLU CA C 56.260 0.400 1 291 27 27 GLU CB C 33.860 0.400 1 292 27 27 GLU CG C 36.560 0.400 1 293 27 27 GLU N N 120.089 0.400 1 294 28 28 MET H H 8.757 0.020 1 295 28 28 MET HA H 4.997 0.020 1 296 28 28 MET HB2 H 1.950 0.020 2 297 28 28 MET HB3 H 2.025 0.020 2 298 28 28 MET HG2 H 2.336 0.020 1 299 28 28 MET HG3 H 2.336 0.020 1 300 28 28 MET C C 174.281 0.400 1 301 28 28 MET CA C 54.500 0.400 1 302 28 28 MET CB C 35.080 0.400 1 303 28 28 MET CG C 30.980 0.400 1 304 28 28 MET N N 120.128 0.400 1 305 29 29 GLU H H 8.541 0.020 1 306 29 29 GLU HA H 3.983 0.020 1 307 29 29 GLU HB2 H 2.076 0.020 2 308 29 29 GLU HB3 H 2.044 0.020 2 309 29 29 GLU HG2 H 2.360 0.020 2 310 29 29 GLU HG3 H 2.200 0.020 2 311 29 29 GLU C C 175.995 0.400 1 312 29 29 GLU CA C 58.620 0.400 1 313 29 29 GLU CB C 31.600 0.400 1 314 29 29 GLU CG C 36.150 0.400 1 315 29 29 GLU N N 124.935 0.400 1 316 30 30 ASN H H 8.730 0.020 1 317 30 30 ASN HA H 5.212 0.020 1 318 30 30 ASN HB2 H 2.754 0.020 2 319 30 30 ASN HB3 H 2.350 0.020 2 320 30 30 ASN HD21 H 7.475 0.020 2 321 30 30 ASN HD22 H 6.702 0.020 2 322 30 30 ASN CA C 49.248 0.400 1 323 30 30 ASN CB C 39.850 0.400 1 324 30 30 ASN N N 117.652 0.400 1 325 30 30 ASN ND2 N 112.165 0.400 1 326 31 31 PRO HA H 4.258 0.020 1 327 31 31 PRO HB2 H 2.336 0.020 2 328 31 31 PRO HB3 H 1.947 0.020 2 329 31 31 PRO HG2 H 2.119 0.020 2 330 31 31 PRO HG3 H 2.036 0.020 2 331 31 31 PRO HD2 H 4.260 0.020 2 332 31 31 PRO HD3 H 3.851 0.020 2 333 31 31 PRO C C 176.544 0.400 1 334 31 31 PRO CA C 64.680 0.400 1 335 31 31 PRO CB C 31.930 0.400 1 336 31 31 PRO CG C 27.380 0.400 1 337 31 31 PRO CD C 51.040 0.400 1 338 32 32 ALA H H 7.959 0.020 1 339 32 32 ALA HA H 4.373 0.020 1 340 32 32 ALA HB H 1.450 0.400 1 341 32 32 ALA C C 177.469 0.400 1 342 32 32 ALA CA C 51.410 0.400 1 343 32 32 ALA CB C 18.380 0.400 1 344 32 32 ALA N N 118.572 0.400 1 345 33 33 LEU H H 8.051 0.020 1 346 33 33 LEU HA H 3.456 0.020 1 347 33 33 LEU HB2 H 0.901 0.020 2 348 33 33 LEU HB3 H 1.269 0.020 2 349 33 33 LEU HG H 0.481 0.020 1 350 33 33 LEU HD1 H -0.253 0.400 2 351 33 33 LEU HD2 H 0.025 0.400 2 352 33 33 LEU C C 176.942 0.400 1 353 33 33 LEU CA C 61.070 0.400 1 354 33 33 LEU CB C 39.580 0.400 1 355 33 33 LEU CG C 27.110 0.400 1 356 33 33 LEU CD1 C 25.010 0.400 1 357 33 33 LEU CD2 C 24.034 0.400 1 358 33 33 LEU N N 115.958 0.400 1 359 34 34 TRP H H 7.764 0.020 1 360 34 34 TRP HA H 4.335 0.020 1 361 34 34 TRP HB2 H 2.857 0.020 2 362 34 34 TRP HB3 H 3.930 0.020 2 363 34 34 TRP HD1 H 7.128 0.020 1 364 34 34 TRP HE1 H 10.599 0.020 1 365 34 34 TRP HZ2 H 6.868 0.020 1 366 34 34 TRP HH2 H 7.208 0.020 1 367 34 34 TRP CA C 56.530 0.400 1 368 34 34 TRP CB C 30.405 0.400 1 369 34 34 TRP N N 119.292 0.400 1 370 34 34 TRP NE1 N 128.760 0.400 1 371 35 35 GLY H H 7.480 0.020 1 372 35 35 GLY HA2 H 4.025 0.020 2 373 35 35 GLY HA3 H 3.657 0.020 2 374 35 35 GLY C C 173.787 0.400 1 375 35 35 GLY CA C 46.564 0.400 1 376 35 35 GLY N N 108.035 0.400 1 377 36 36 GLY H H 7.350 0.020 1 378 36 36 GLY HA2 H 4.430 0.020 2 379 36 36 GLY HA3 H 3.800 0.020 2 380 36 36 GLY C C 171.821 0.400 1 381 36 36 GLY CA C 44.870 0.400 1 382 36 36 GLY N N 106.129 0.400 1 383 37 37 LYS H H 8.919 0.020 1 384 37 37 LYS HA H 5.345 0.020 1 385 37 37 LYS HB2 H 1.698 0.020 2 386 37 37 LYS HB3 H 1.627 0.020 2 387 37 37 LYS HG2 H 1.535 0.020 2 388 37 37 LYS HG3 H 1.586 0.020 2 389 37 37 LYS HD2 H 1.267 0.020 2 390 37 37 LYS HD3 H 1.538 0.020 2 391 37 37 LYS HE2 H 2.882 0.020 2 392 37 37 LYS HE3 H 2.831 0.020 2 393 37 37 LYS C C 178.068 0.400 1 394 37 37 LYS CA C 56.170 0.400 1 395 37 37 LYS CB C 34.240 0.400 1 396 37 37 LYS CG C 29.390 0.400 1 397 37 37 LYS CD C 25.320 0.400 1 398 37 37 LYS CE C 41.420 0.400 1 399 37 37 LYS N N 119.860 0.400 1 400 38 38 VAL H H 9.309 0.020 1 401 38 38 VAL HA H 5.103 0.020 1 402 38 38 VAL HB H 2.259 0.020 1 403 38 38 VAL HG1 H 0.753 0.400 2 404 38 38 VAL HG2 H 0.908 0.400 2 405 38 38 VAL C C 174.161 0.400 1 406 38 38 VAL CA C 59.530 0.400 1 407 38 38 VAL CB C 35.130 0.400 1 408 38 38 VAL CG1 C 18.450 0.400 1 409 38 38 VAL CG2 C 23.140 0.400 1 410 38 38 VAL N N 116.042 0.400 1 411 39 39 THR H H 8.653 0.020 1 412 39 39 THR HA H 5.235 0.020 1 413 39 39 THR HB H 3.809 0.020 1 414 39 39 THR HG2 H 1.236 0.400 1 415 39 39 THR C C 174.320 0.400 1 416 39 39 THR CA C 61.080 0.400 1 417 39 39 THR CB C 70.570 0.400 1 418 39 39 THR CG2 C 21.690 0.400 1 419 39 39 THR N N 117.683 0.400 1 420 40 40 LEU H H 9.443 0.020 1 421 40 40 LEU HA H 5.275 0.020 1 422 40 40 LEU HB2 H 2.365 0.020 2 423 40 40 LEU HB3 H 1.526 0.020 2 424 40 40 LEU HG H 1.738 0.020 1 425 40 40 LEU HD1 H 0.720 0.400 2 426 40 40 LEU HD2 H 0.850 0.400 2 427 40 40 LEU C C 180.640 0.400 1 428 40 40 LEU CA C 53.370 0.400 1 429 40 40 LEU CB C 42.920 0.400 1 430 40 40 LEU CG C 27.960 0.400 1 431 40 40 LEU CD1 C 24.200 0.400 1 432 40 40 LEU CD2 C 24.340 0.400 1 433 40 40 LEU N N 125.631 0.400 1 434 41 41 ALA H H 8.809 0.020 1 435 41 41 ALA HA H 3.993 0.020 1 436 41 41 ALA HB H 1.608 0.400 1 437 41 41 ALA C C 176.541 0.400 1 438 41 41 ALA CA C 54.964 0.400 1 439 41 41 ALA CB C 18.640 0.400 1 440 41 41 ALA N N 123.009 0.400 1 441 42 42 ASN H H 7.091 0.020 1 442 42 42 ASN HA H 4.525 0.020 1 443 42 42 ASN HB2 H 2.927 0.020 2 444 42 42 ASN HB3 H 2.487 0.020 2 445 42 42 ASN C C 175.915 0.400 1 446 42 42 ASN CA C 52.375 0.400 1 447 42 42 ASN CB C 36.960 0.400 1 448 42 42 ASN N N 112.071 0.400 1 449 43 43 GLY H H 8.187 0.020 1 450 43 43 GLY HA2 H 4.449 0.020 2 451 43 43 GLY HA3 H 3.572 0.020 2 452 43 43 GLY C C 174.906 0.400 1 453 43 43 GLY CA C 44.750 0.400 1 454 43 43 GLY N N 108.314 0.400 1 455 44 44 TRP H H 7.744 0.020 1 456 44 44 TRP HA H 4.676 0.020 1 457 44 44 TRP HB2 H 3.278 0.020 2 458 44 44 TRP HB3 H 2.883 0.020 2 459 44 44 TRP HD1 H 7.035 0.020 1 460 44 44 TRP HE1 H 10.230 0.020 1 461 44 44 TRP C C 175.051 0.400 1 462 44 44 TRP CA C 56.770 0.400 1 463 44 44 TRP CB C 30.110 0.400 1 464 44 44 TRP N N 120.856 0.400 1 465 44 44 TRP NE1 N 129.480 0.400 1 466 45 45 GLN H H 9.158 0.020 1 467 45 45 GLN HA H 5.583 0.020 1 468 45 45 GLN HB2 H 1.955 0.020 2 469 45 45 GLN HB3 H 1.889 0.020 2 470 45 45 GLN HG2 H 2.460 0.020 2 471 45 45 GLN HG3 H 2.360 0.020 2 472 45 45 GLN HE21 H 7.487 0.020 2 473 45 45 GLN HE22 H 6.793 0.020 2 474 45 45 GLN C C 174.666 0.400 1 475 45 45 GLN CA C 54.490 0.400 1 476 45 45 GLN CB C 32.510 0.400 1 477 45 45 GLN CG C 34.840 0.400 1 478 45 45 GLN N N 120.260 0.400 1 479 45 45 GLN NE2 N 111.979 0.400 1 480 46 46 LEU H H 8.867 0.020 1 481 46 46 LEU HA H 5.512 0.020 1 482 46 46 LEU HB2 H 1.240 0.020 2 483 46 46 LEU HB3 H 1.530 0.020 2 484 46 46 LEU HG H 1.615 0.020 1 485 46 46 LEU HD1 H 0.867 0.400 2 486 46 46 LEU HD2 H 1.185 0.400 2 487 46 46 LEU C C 175.662 0.400 1 488 46 46 LEU CA C 52.140 0.400 1 489 46 46 LEU CB C 46.100 0.400 1 490 46 46 LEU CG C 27.490 0.400 1 491 46 46 LEU CD1 C 24.210 0.400 1 492 46 46 LEU CD2 C 24.340 0.400 1 493 46 46 LEU N N 120.407 0.400 1 494 47 47 GLU H H 9.229 0.020 1 495 47 47 GLU HA H 4.560 0.020 1 496 47 47 GLU HB2 H 2.013 0.020 2 497 47 47 GLU HB3 H 1.878 0.020 2 498 47 47 GLU HG2 H 2.004 0.020 1 499 47 47 GLU HG3 H 2.004 0.020 1 500 47 47 GLU C C 176.148 0.400 1 501 47 47 GLU CA C 55.800 0.400 1 502 47 47 GLU CB C 31.753 0.400 1 503 47 47 GLU CG C 36.720 0.400 1 504 47 47 GLU N N 121.003 0.400 1 505 48 48 LEU H H 8.483 0.020 1 506 48 48 LEU HA H 4.994 0.020 1 507 48 48 LEU HB2 H 2.255 0.020 2 508 48 48 LEU HB3 H 1.820 0.020 2 509 48 48 LEU HG H 1.823 0.020 1 510 48 48 LEU HD1 H 0.781 0.400 2 511 48 48 LEU HD2 H 0.580 0.400 2 512 48 48 LEU CA C 51.886 0.400 1 513 48 48 LEU CB C 41.500 0.400 1 514 48 48 LEU CG C 27.213 0.400 1 515 48 48 LEU CD1 C 22.524 0.400 1 516 48 48 LEU CD2 C 26.581 0.400 1 517 48 48 LEU N N 126.672 0.400 1 518 49 49 PRO HA H 4.456 0.020 1 519 49 49 PRO HG2 H 0.976 0.020 1 520 49 49 PRO HG3 H 0.976 0.020 1 521 49 49 PRO HD2 H 4.076 0.020 1 522 49 49 PRO HD3 H 4.076 0.020 1 523 49 49 PRO C C 176.639 0.400 1 524 49 49 PRO CA C 63.160 0.400 1 525 49 49 PRO CD C 50.740 0.400 1 526 50 50 ALA H H 8.475 0.020 1 527 50 50 ALA HA H 4.209 0.020 1 528 50 50 ALA HB H 1.360 0.400 1 529 50 50 ALA C C 176.714 0.400 1 530 50 50 ALA CA C 53.100 0.400 1 531 50 50 ALA CB C 18.460 0.400 1 532 50 50 ALA N N 122.677 0.400 1 533 51 51 MET H H 7.346 0.020 1 534 51 51 MET HA H 4.380 0.020 1 535 51 51 MET HB2 H 1.460 0.020 2 536 51 51 MET HB3 H 0.630 0.020 2 537 51 51 MET HG2 H 1.830 0.020 2 538 51 51 MET HG3 H 1.180 0.020 2 539 51 51 MET C C 174.451 0.400 1 540 51 51 MET CA C 53.660 0.400 1 541 51 51 MET CB C 35.520 0.400 1 542 51 51 MET CG C 32.423 0.400 1 543 51 51 MET N N 120.214 0.400 1 544 52 52 ALA H H 8.079 0.020 1 545 52 52 ALA HA H 4.182 0.020 1 546 52 52 ALA HB H 1.395 0.400 1 547 52 52 ALA CA C 52.478 0.400 1 548 52 52 ALA CB C 18.995 0.400 1 549 52 52 ALA N N 121.517 0.400 1 550 53 53 ALA HA H 4.295 0.020 1 551 53 53 ALA HB H 1.543 0.400 1 552 53 53 ALA C C 178.313 0.400 1 553 53 53 ALA CA C 55.252 0.400 1 554 53 53 ALA CB C 18.610 0.400 1 555 54 54 ASP H H 8.307 0.020 1 556 54 54 ASP HA H 4.641 0.020 1 557 54 54 ASP HB2 H 2.920 0.020 2 558 54 54 ASP HB3 H 2.620 0.020 2 559 54 54 ASP C C 175.695 0.400 1 560 54 54 ASP CA C 52.990 0.400 1 561 54 54 ASP CB C 39.160 0.400 1 562 54 54 ASP N N 114.839 0.400 1 563 55 55 THR H H 7.493 0.020 1 564 55 55 THR HA H 4.115 0.020 1 565 55 55 THR HG2 H 1.105 0.400 1 566 55 55 THR CA C 63.268 0.400 1 567 55 55 THR CG2 C 21.104 0.400 1 568 55 55 THR N N 119.749 0.400 1 569 56 56 PRO HA H 4.456 0.020 1 570 56 56 PRO HB2 H 2.335 0.020 2 571 56 56 PRO HB3 H 1.948 0.020 2 572 56 56 PRO HG2 H 2.120 0.020 2 573 56 56 PRO HG3 H 2.024 0.020 2 574 56 56 PRO HD2 H 4.072 0.020 2 575 56 56 PRO HD3 H 3.674 0.020 2 576 56 56 PRO C C 174.567 0.400 1 577 56 56 PRO CA C 63.160 0.400 1 578 56 56 PRO CB C 32.390 0.400 1 579 56 56 PRO CG C 27.470 0.400 1 580 56 56 PRO CD C 52.020 0.400 1 581 57 57 LEU H H 8.099 0.020 1 582 57 57 LEU HA H 4.645 0.020 1 583 57 57 LEU HB2 H 1.800 0.020 2 584 57 57 LEU HB3 H 1.624 0.020 2 585 57 57 LEU HD1 H 1.111 0.400 2 586 57 57 LEU HD2 H 1.188 0.400 2 587 57 57 LEU CA C 51.886 0.400 1 588 57 57 LEU CB C 42.800 0.400 1 589 57 57 LEU CD1 C 27.222 0.400 1 590 57 57 LEU CD2 C 24.391 0.400 1 591 57 57 LEU N N 119.794 0.400 1 592 58 58 PRO HA H 5.338 0.020 1 593 58 58 PRO HB2 H 2.493 0.020 2 594 58 58 PRO HB3 H 2.144 0.020 2 595 58 58 PRO HG2 H 2.017 0.020 2 596 58 58 PRO HG3 H 1.941 0.020 2 597 58 58 PRO HD2 H 3.660 0.020 1 598 58 58 PRO HD3 H 3.660 0.020 1 599 58 58 PRO C C 175.662 0.400 1 600 58 58 PRO CA C 62.330 0.400 1 601 58 58 PRO CB C 36.500 0.400 1 602 58 58 PRO CG C 24.844 0.400 1 603 58 58 PRO CD C 50.930 0.400 1 604 59 59 ILE H H 8.314 0.020 1 605 59 59 ILE HA H 4.714 0.020 1 606 59 59 ILE HB H 2.180 0.020 1 607 59 59 ILE HG12 H 1.676 0.020 2 608 59 59 ILE HG13 H 1.139 0.020 2 609 59 59 ILE HG2 H 1.053 0.400 1 610 59 59 ILE HD1 H 0.755 0.400 1 611 59 59 ILE C C 172.245 0.400 1 612 59 59 ILE CA C 60.440 0.400 1 613 59 59 ILE CB C 41.890 0.400 1 614 59 59 ILE CG1 C 29.210 0.400 1 615 59 59 ILE CG2 C 17.250 0.400 1 616 59 59 ILE CD1 C 14.590 0.400 1 617 59 59 ILE N N 118.769 0.400 1 618 60 60 THR H H 8.307 0.020 1 619 60 60 THR HA H 5.420 0.020 1 620 60 60 THR HB H 4.016 0.020 1 621 60 60 THR HG2 H 1.133 0.400 1 622 60 60 THR C C 174.198 0.400 1 623 60 60 THR CA C 62.280 0.400 1 624 60 60 THR CB C 68.980 0.400 1 625 60 60 THR CG2 C 21.920 0.400 1 626 60 60 THR N N 124.036 0.400 1 627 61 61 VAL H H 9.250 0.020 1 628 61 61 VAL HA H 4.803 0.020 1 629 61 61 VAL HB H 2.293 0.020 1 630 61 61 VAL HG1 H 0.983 0.400 2 631 61 61 VAL HG2 H 1.028 0.400 2 632 61 61 VAL C C 173.717 0.400 1 633 61 61 VAL CA C 58.530 0.400 1 634 61 61 VAL CB C 36.020 0.400 1 635 61 61 VAL CG1 C 22.570 0.400 1 636 61 61 VAL CG2 C 18.480 0.400 1 637 61 61 VAL N N 120.013 0.400 1 638 62 62 GLU H H 8.489 0.020 1 639 62 62 GLU HA H 4.787 0.020 1 640 62 62 GLU HB2 H 2.006 0.020 2 641 62 62 GLU HB3 H 1.864 0.020 2 642 62 62 GLU HG2 H 2.128 0.020 1 643 62 62 GLU HG3 H 2.128 0.020 1 644 62 62 GLU C C 175.028 0.400 1 645 62 62 GLU CA C 55.860 0.400 1 646 62 62 GLU CB C 29.990 0.400 1 647 62 62 GLU CG C 36.990 0.400 1 648 62 62 GLU N N 121.050 0.400 1 649 63 63 ALA H H 8.984 0.020 1 650 63 63 ALA HA H 4.983 0.020 1 651 63 63 ALA HB H 1.370 0.400 1 652 63 63 ALA C C 175.321 0.400 1 653 63 63 ALA CA C 50.070 0.400 1 654 63 63 ALA CB C 23.790 0.400 1 655 63 63 ALA N N 127.325 0.400 1 656 64 64 ARG H H 7.780 0.020 1 657 64 64 ARG HA H 4.712 0.020 1 658 64 64 ARG HB2 H 1.609 0.020 1 659 64 64 ARG HB3 H 1.609 0.020 1 660 64 64 ARG HG2 H 1.453 0.020 2 661 64 64 ARG HG3 H 1.283 0.020 2 662 64 64 ARG HD2 H 2.830 0.020 2 663 64 64 ARG HD3 H 2.940 0.020 2 664 64 64 ARG C C 174.822 0.400 1 665 64 64 ARG CA C 54.910 0.400 1 666 64 64 ARG CB C 33.080 0.400 1 667 64 64 ARG CG C 27.490 0.400 1 668 64 64 ARG CD C 43.977 0.400 1 669 64 64 ARG N N 118.324 0.400 1 670 65 65 LYS H H 8.836 0.020 1 671 65 65 LYS HA H 4.661 0.020 1 672 65 65 LYS HB2 H 1.662 0.020 2 673 65 65 LYS HB3 H 1.401 0.020 2 674 65 65 LYS HG2 H 1.288 0.020 2 675 65 65 LYS HG3 H 0.966 0.020 2 676 65 65 LYS HD2 H 0.947 0.020 2 677 65 65 LYS HD3 H 0.751 0.020 2 678 65 65 LYS HE2 H 1.580 0.020 1 679 65 65 LYS HE3 H 1.580 0.020 1 680 65 65 LYS C C 175.066 0.400 1 681 65 65 LYS CA C 56.170 0.400 1 682 65 65 LYS CB C 33.550 0.400 1 683 65 65 LYS CG C 24.950 0.400 1 684 65 65 LYS CD C 29.100 0.400 1 685 65 65 LYS CE C 40.780 0.400 1 686 65 65 LYS N N 127.353 0.400 1 687 66 66 LEU H H 8.367 0.020 1 688 66 66 LEU HA H 4.164 0.020 1 689 66 66 LEU HB2 H 1.570 0.020 1 690 66 66 LEU HB3 H 1.570 0.020 1 691 66 66 LEU HG H 1.515 0.020 1 692 66 66 LEU HD1 H 0.785 0.400 2 693 66 66 LEU HD2 H 0.725 0.400 2 694 66 66 LEU CA C 56.640 0.400 1 695 66 66 LEU CB C 42.660 0.400 1 696 66 66 LEU CG C 28.121 0.400 1 697 66 66 LEU CD1 C 25.999 0.400 1 698 66 66 LEU CD2 C 23.169 0.400 1 699 66 66 LEU N N 135.134 0.400 1 stop_ save_