data_6746 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of phnA-like protein rp4479 ; _BMRB_accession_number 6746 _BMRB_flat_file_name bmr6746.str _Entry_type original _Submission_date 2005-07-25 _Accession_date 2005-07-25 _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 Wu Bin . . 2 Yee Adelina . . 3 Ramelot Theresa . . 4 Semesi Anthony . . 5 Lemak Alexander . . 6 Kennedy Michael . . 7 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" 422 "13C chemical shifts" 313 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-02-23 original author . stop_ _Original_release_date 2006-02-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of phnA-like protein rp4479 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 Wu Bin . . 2 Yee Adelina . . 3 Ramelot Theresa . . 4 Semesi Anthony . . 5 Lemak Alexander . . 6 Kennedy Michael . . 7 Arrowsmith Cheryl H. . 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 . loop_ _Keyword 'phnA-like protein rp4479' stop_ save_ ################################## # Molecular system description # ################################## save_system_rp4479 _Saveframe_category molecular_system _Mol_system_name 'phnA-like protein rp4479' _Abbreviation_common rp4479 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rp4479 $rp4479 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'phnA-like protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rp4479 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phnA-like protein rp4479' _Abbreviation_common rp4479 _Molecular_mass 7933 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MSIEVRDCNGALLADGDNVS LIKDLKLKGSSTVLKRGTMI RGIRLTDSEDEIEGRTDKIK GLVLRTEFLKKAGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ILE 4 GLU 5 VAL 6 ARG 7 ASP 8 CYS 9 ASN 10 GLY 11 ALA 12 LEU 13 LEU 14 ALA 15 ASP 16 GLY 17 ASP 18 ASN 19 VAL 20 SER 21 LEU 22 ILE 23 LYS 24 ASP 25 LEU 26 LYS 27 LEU 28 LYS 29 GLY 30 SER 31 SER 32 THR 33 VAL 34 LEU 35 LYS 36 ARG 37 GLY 38 THR 39 MET 40 ILE 41 ARG 42 GLY 43 ILE 44 ARG 45 LEU 46 THR 47 ASP 48 SER 49 GLU 50 ASP 51 GLU 52 ILE 53 GLU 54 GLY 55 ARG 56 THR 57 ASP 58 LYS 59 ILE 60 LYS 61 GLY 62 LEU 63 VAL 64 LEU 65 ARG 66 THR 67 GLU 68 PHE 69 LEU 70 LYS 71 LYS 72 ALA 73 GLY 74 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 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 2AKK "Solution Structure Of Phna-Like Protein Rp4479 From Rhodopseudomonas Palustris" 100.00 74 100.00 100.00 8.41e-42 EMBL CAE29941 "phnA-like protein [Rhodopseudomonas palustris CGA009]" 97.30 72 100.00 100.00 2.37e-40 GB ACF03482 "PhnA protein [Rhodopseudomonas palustris TIE-1]" 97.30 72 100.00 100.00 2.37e-40 GB ADU46252 "PhnA protein [Rhodopseudomonas palustris DX-1]" 97.30 72 100.00 100.00 2.37e-40 REF NP_949835 "PhnA protein [Rhodopseudomonas palustris CGA009]" 97.30 72 100.00 100.00 2.37e-40 REF WP_011160033 "PhnA protein [Rhodopseudomonas palustris]" 97.30 72 100.00 100.00 2.37e-40 REF YP_001993957 "PhnA protein [Rhodopseudomonas palustris TIE-1]" 97.30 72 100.00 100.00 2.37e-40 REF YP_004110985 "PhnA protein [Rhodopseudomonas palustris DX-1]" 97.30 72 100.00 100.00 2.37e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rp4479 'Rhodopseudomonas palustris' 2303 Bacteria . rhodopseudomonas palustris stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $rp4479 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid PET15B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rp4479 1 mM '[U-13C; U-15N]' NaCl 450 mM . Phosphate 25 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task 'spectral analysis' assignemt stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CCTOCSY_NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _Sample_label . save_ save_HCCTOCSY_NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _Sample_label . save_ save_13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label . save_ save_HCCHTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label . save_ save_15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_13,13C_4d_CCNOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13,13C 4d CCNOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13,13C 4d CCNOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 1 K 'ionic strength' 0.45 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' HNCO CBCAcoNH HNCACB CCTOCSY_NH HCCTOCSY_NH '13C HSQC' HCCHTOCSY '15N NOESY' '13C NOESY' '13,13C 4d CCNOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rp4479 _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 MET N N 121.799 0.400 1 2 . 1 MET H H 8.344 0.020 1 3 . 1 MET CA C 55.403 0.400 1 4 . 1 MET HA H 4.480 0.020 1 5 . 1 MET CB C 33.310 0.400 1 6 . 1 MET HB2 H 2.044 0.020 2 7 . 1 MET HB3 H 1.943 0.020 2 8 . 1 MET CG C 32.053 0.400 1 9 . 1 MET HG2 H 2.484 0.020 2 10 . 1 MET HG3 H 2.407 0.020 2 11 . 1 MET CE C 17.010 0.400 1 12 . 1 MET C C 175.889 0.400 1 13 . 2 SER N N 117.608 0.400 1 14 . 2 SER H H 8.363 0.020 1 15 . 2 SER CA C 58.410 0.400 1 16 . 2 SER HA H 4.481 0.020 1 17 . 2 SER CB C 63.813 0.400 1 18 . 2 SER HB2 H 3.835 0.020 1 19 . 2 SER HB3 H 3.835 0.020 1 20 . 2 SER C C 173.928 0.400 1 21 . 3 ILE N N 121.387 0.400 1 22 . 3 ILE H H 8.023 0.020 1 23 . 3 ILE CA C 60.780 0.400 1 24 . 3 ILE HA H 4.304 0.020 1 25 . 3 ILE CB C 40.070 0.400 1 26 . 3 ILE HB H 1.802 0.020 1 27 . 3 ILE HG2 H 0.859 0.020 1 28 . 3 ILE CG2 C 17.430 0.400 1 29 . 3 ILE CG1 C 27.050 0.400 1 30 . 3 ILE HG12 H 1.414 0.020 2 31 . 3 ILE HG13 H 1.103 0.020 2 32 . 3 ILE HD1 H 0.750 0.020 1 33 . 3 ILE CD1 C 13.410 0.400 1 34 . 3 ILE C C 174.950 0.400 1 35 . 4 GLU N N 125.972 0.400 1 36 . 4 GLU H H 8.623 0.020 1 37 . 4 GLU CA C 55.760 0.400 1 38 . 4 GLU HA H 4.349 0.020 1 39 . 4 GLU CB C 31.010 0.400 1 40 . 4 GLU HB2 H 1.892 0.020 2 41 . 4 GLU HB3 H 1.772 0.020 2 42 . 4 GLU CG C 36.590 0.400 1 43 . 4 GLU HG2 H 2.227 0.020 2 44 . 4 GLU HG3 H 2.054 0.020 2 45 . 4 GLU C C 174.143 0.400 1 46 . 5 VAL N N 127.198 0.400 1 47 . 5 VAL H H 8.743 0.020 1 48 . 5 VAL CA C 62.100 0.400 1 49 . 5 VAL HA H 4.220 0.020 1 50 . 5 VAL CB C 33.090 0.400 1 51 . 5 VAL HB H 1.889 0.020 1 52 . 5 VAL HG1 H 0.794 0.020 2 53 . 5 VAL HG2 H 1.011 0.020 2 54 . 5 VAL CG1 C 21.840 0.400 1 55 . 5 VAL CG2 C 21.660 0.400 1 56 . 5 VAL C C 174.620 0.400 1 57 . 6 ARG N N 125.355 0.400 1 58 . 6 ARG H H 8.616 0.020 1 59 . 6 ARG CA C 53.490 0.400 1 60 . 6 ARG HA H 5.355 0.020 1 61 . 6 ARG CB C 34.730 0.400 1 62 . 6 ARG HB2 H 1.555 0.020 2 63 . 6 ARG HB3 H 1.381 0.020 2 64 . 6 ARG CG C 28.940 0.400 1 65 . 6 ARG HG2 H 1.378 0.020 2 66 . 6 ARG HG3 H 1.267 0.020 2 67 . 6 ARG CD C 42.980 0.400 1 68 . 6 ARG HD2 H 3.038 0.020 1 69 . 6 ARG HD3 H 3.038 0.020 1 70 . 6 ARG C C 175.889 0.400 1 71 . 7 ASP N N 119.827 0.400 1 72 . 7 ASP H H 8.877 0.020 1 73 . 7 ASP CA C 51.970 0.400 1 74 . 7 ASP HA H 4.448 0.020 1 75 . 7 ASP CB C 40.660 0.400 1 76 . 7 ASP HB2 H 3.711 0.020 2 77 . 7 ASP HB3 H 2.413 0.020 2 78 . 7 ASP C C 178.426 0.400 1 79 . 8 CYS N N 114.116 0.400 1 80 . 8 CYS H H 8.640 0.020 1 81 . 8 CYS CA C 60.210 0.400 1 82 . 8 CYS HA H 4.304 0.020 1 83 . 8 CYS CB C 27.630 0.400 1 84 . 8 CYS HB2 H 3.130 0.020 2 85 . 8 CYS HB3 H 2.894 0.020 2 86 . 8 CYS C C 174.834 0.400 1 87 . 9 ASN N N 121.696 0.400 1 88 . 9 ASN H H 8.402 0.020 1 89 . 9 ASN CA C 52.570 0.400 1 90 . 9 ASN HA H 5.104 0.020 1 91 . 9 ASN CB C 40.330 0.400 1 92 . 9 ASN HB2 H 3.091 0.020 2 93 . 9 ASN HB3 H 2.920 0.020 2 94 . 9 ASN ND2 N 112.939 0.400 1 95 . 9 ASN HD21 H 8.032 0.020 2 96 . 9 ASN HD22 H 6.876 0.020 2 97 . 9 ASN C C 175.839 0.400 1 98 . 10 GLY N N 109.709 0.400 1 99 . 10 GLY H H 8.231 0.020 1 100 . 10 GLY CA C 45.550 0.400 1 101 . 10 GLY HA2 H 4.345 0.020 2 102 . 10 GLY HA3 H 3.628 0.020 2 103 . 10 GLY C C 173.830 0.400 1 104 . 11 ALA N N 128.218 0.400 1 105 . 11 ALA H H 8.939 0.020 1 106 . 11 ALA CA C 51.900 0.400 1 107 . 11 ALA HA H 4.363 0.020 1 108 . 11 ALA HB H 1.355 0.020 1 109 . 11 ALA CB C 18.950 0.400 1 110 . 11 ALA C C 177.520 0.400 1 111 . 12 LEU N N 122.452 0.400 1 112 . 12 LEU H H 8.366 0.020 1 113 . 12 LEU CA C 55.870 0.400 1 114 . 12 LEU HA H 4.373 0.020 1 115 . 12 LEU CB C 43.080 0.400 1 116 . 12 LEU HB2 H 1.545 0.020 1 117 . 12 LEU HB3 H 1.545 0.020 1 118 . 12 LEU CG C 27.240 0.400 1 119 . 12 LEU HG H 1.684 0.020 1 120 . 12 LEU HD1 H 0.956 0.020 2 121 . 12 LEU HD2 H 0.864 0.020 2 122 . 12 LEU CD1 C 25.270 0.400 1 123 . 12 LEU CD2 C 24.510 0.400 1 124 . 12 LEU C C 177.223 0.400 1 125 . 13 LEU N N 124.219 0.400 1 126 . 13 LEU H H 8.760 0.020 1 127 . 13 LEU CA C 52.900 0.400 1 128 . 13 LEU HA H 4.703 0.020 1 129 . 13 LEU CB C 44.710 0.400 1 130 . 13 LEU HB2 H 1.473 0.020 2 131 . 13 LEU HB3 H 1.121 0.020 2 132 . 13 LEU CG C 26.570 0.400 1 133 . 13 LEU HG H 1.701 0.020 1 134 . 13 LEU HD1 H 0.516 0.020 2 135 . 13 LEU HD2 H 0.805 0.020 2 136 . 13 LEU CD1 C 25.297 0.400 1 137 . 13 LEU CD2 C 23.830 0.400 1 138 . 13 LEU C C 174.620 0.400 1 139 . 14 ALA N N 123.181 0.400 1 140 . 14 ALA H H 8.707 0.020 1 141 . 14 ALA CA C 50.090 0.400 1 142 . 14 ALA HA H 4.590 0.020 1 143 . 14 ALA HB H 1.317 0.020 1 144 . 14 ALA CB C 22.970 0.400 1 145 . 14 ALA C C 175.971 0.400 1 146 . 15 ASP N N 118.775 0.400 1 147 . 15 ASP H H 8.309 0.020 1 148 . 15 ASP CA C 56.090 0.400 1 149 . 15 ASP HA H 4.476 0.020 1 150 . 15 ASP CB C 41.290 0.400 1 151 . 15 ASP HB2 H 2.623 0.020 2 152 . 15 ASP HB3 H 2.494 0.020 2 153 . 15 ASP C C 178.393 0.400 1 154 . 16 GLY N N 112.643 0.400 1 155 . 16 GLY H H 9.762 0.020 1 156 . 16 GLY CA C 45.190 0.400 1 157 . 16 GLY HA2 H 4.473 0.020 2 158 . 16 GLY HA3 H 3.531 0.020 2 159 . 16 GLY C C 174.554 0.400 1 160 . 17 ASP N N 121.336 0.400 1 161 . 17 ASP H H 7.905 0.020 1 162 . 17 ASP CA C 55.510 0.400 1 163 . 17 ASP HA H 4.626 0.020 1 164 . 17 ASP CB C 41.430 0.400 1 165 . 17 ASP HB2 H 2.789 0.020 2 166 . 17 ASP HB3 H 2.608 0.020 2 167 . 17 ASP C C 174.159 0.400 1 168 . 18 ASN N N 115.819 0.400 1 169 . 18 ASN H H 8.684 0.020 1 170 . 18 ASN CA C 51.350 0.400 1 171 . 18 ASN HA H 5.748 0.020 1 172 . 18 ASN CB C 40.170 0.400 1 173 . 18 ASN HB2 H 2.785 0.020 2 174 . 18 ASN HB3 H 2.701 0.020 2 175 . 18 ASN ND2 N 113.300 0.400 1 176 . 18 ASN HD21 H 7.774 0.020 2 177 . 18 ASN HD22 H 6.879 0.020 2 178 . 18 ASN C C 175.411 0.400 1 179 . 19 VAL N N 113.019 0.400 1 180 . 19 VAL H H 9.030 0.020 1 181 . 19 VAL CA C 58.210 0.400 1 182 . 19 VAL HA H 5.283 0.020 1 183 . 19 VAL CB C 36.250 0.400 1 184 . 19 VAL HB H 2.024 0.020 1 185 . 19 VAL HG1 H 0.773 0.020 2 186 . 19 VAL HG2 H 0.761 0.020 2 187 . 19 VAL CG1 C 22.680 0.400 1 188 . 19 VAL CG2 C 20.350 0.400 1 189 . 19 VAL C C 173.055 0.400 1 190 . 20 SER N N 114.217 0.400 1 191 . 20 SER H H 9.410 0.020 1 192 . 20 SER CA C 55.910 0.400 1 193 . 20 SER HA H 5.580 0.020 1 194 . 20 SER CB C 66.740 0.400 1 195 . 20 SER HB2 H 3.699 0.020 2 196 . 20 SER HB3 H 3.537 0.020 2 197 . 20 SER C C 174.719 0.400 1 198 . 21 LEU N N 122.206 0.400 1 199 . 21 LEU H H 8.019 0.020 1 200 . 21 LEU CA C 54.824 0.400 1 201 . 21 LEU HA H 4.878 0.020 1 202 . 21 LEU CB C 43.080 0.400 1 203 . 21 LEU HB2 H 2.022 0.020 2 204 . 21 LEU HB3 H 1.667 0.020 2 205 . 21 LEU CG C 28.860 0.400 1 206 . 21 LEU HG H 1.778 0.020 1 207 . 21 LEU HD1 H 0.902 0.020 1 208 . 21 LEU HD2 H 0.902 0.020 1 209 . 21 LEU CD1 C 25.570 0.400 1 210 . 21 LEU C C 181.061 0.400 1 211 . 22 ILE N N 118.145 0.400 1 212 . 22 ILE H H 8.856 0.020 1 213 . 22 ILE CA C 61.850 0.400 1 214 . 22 ILE HA H 4.449 0.020 1 215 . 22 ILE CB C 38.540 0.400 1 216 . 22 ILE HB H 2.251 0.020 1 217 . 22 ILE HG2 H 0.964 0.020 1 218 . 22 ILE CG2 C 19.600 0.400 1 219 . 22 ILE CG1 C 26.240 0.400 1 220 . 22 ILE HG12 H 1.273 0.020 1 221 . 22 ILE HG13 H 1.273 0.020 1 222 . 22 ILE HD1 H 1.092 0.020 1 223 . 22 ILE CD1 C 15.090 0.400 1 224 . 22 ILE C C 174.571 0.400 1 225 . 23 LYS N N 118.019 0.400 1 226 . 23 LYS H H 7.601 0.020 1 227 . 23 LYS CA C 54.320 0.400 1 228 . 23 LYS HA H 4.504 0.020 1 229 . 23 LYS CB C 35.740 0.400 1 230 . 23 LYS HB2 H 1.815 0.020 2 231 . 23 LYS HB3 H 1.750 0.020 2 232 . 23 LYS CG C 22.680 0.400 1 233 . 23 LYS HG2 H 1.147 0.020 1 234 . 23 LYS HG3 H 1.147 0.020 1 235 . 23 LYS CD C 29.320 0.400 1 236 . 23 LYS HD2 H 1.408 0.020 1 237 . 23 LYS HD3 H 1.408 0.020 1 238 . 23 LYS CE C 41.670 0.400 1 239 . 23 LYS HE2 H 2.603 0.020 2 240 . 23 LYS HE3 H 2.389 0.020 2 241 . 23 LYS C C 172.512 0.400 1 242 . 24 ASP N N 119.153 0.400 1 243 . 24 ASP H H 8.264 0.020 1 244 . 24 ASP CA C 54.350 0.400 1 245 . 24 ASP HA H 4.902 0.020 1 246 . 24 ASP CB C 40.540 0.400 1 247 . 24 ASP HB2 H 2.540 0.020 2 248 . 24 ASP HB3 H 2.321 0.020 2 249 . 24 ASP C C 176.169 0.400 1 250 . 25 LEU N N 123.942 0.400 1 251 . 25 LEU H H 8.970 0.020 1 252 . 25 LEU CA C 53.940 0.400 1 253 . 25 LEU HA H 4.554 0.020 1 254 . 25 LEU CB C 46.350 0.400 1 255 . 25 LEU HB2 H 1.532 0.020 2 256 . 25 LEU HB3 H 1.289 0.020 2 257 . 25 LEU CG C 25.990 0.400 1 258 . 25 LEU HG H 1.427 0.020 1 259 . 25 LEU HD1 H 0.671 0.020 2 260 . 25 LEU HD2 H 0.602 0.020 2 261 . 25 LEU CD1 C 25.030 0.400 1 262 . 25 LEU CD2 C 25.400 0.400 1 263 . 25 LEU C C 174.653 0.400 1 264 . 26 LYS N N 125.935 0.400 1 265 . 26 LYS H H 8.445 0.020 1 266 . 26 LYS CA C 55.530 0.400 1 267 . 26 LYS HA H 4.628 0.020 1 268 . 26 LYS CB C 33.010 0.400 1 269 . 26 LYS HB2 H 1.784 0.020 2 270 . 26 LYS HB3 H 1.617 0.020 2 271 . 26 LYS CG C 24.680 0.400 1 272 . 26 LYS HG2 H 1.369 0.020 2 273 . 26 LYS HG3 H 1.287 0.020 2 274 . 26 LYS CD C 29.340 0.400 1 275 . 26 LYS HD2 H 1.624 0.020 1 276 . 26 LYS HD3 H 1.624 0.020 1 277 . 26 LYS CE C 42.130 0.400 1 278 . 26 LYS HE2 H 2.965 0.020 1 279 . 26 LYS HE3 H 2.965 0.020 1 280 . 26 LYS C C 176.317 0.400 1 281 . 27 LEU N N 127.511 0.400 1 282 . 27 LEU H H 8.402 0.020 1 283 . 27 LEU CA C 54.460 0.400 1 284 . 27 LEU HA H 4.348 0.020 1 285 . 27 LEU CB C 41.500 0.400 1 286 . 27 LEU HB2 H 1.651 0.020 2 287 . 27 LEU HB3 H 1.515 0.020 2 288 . 27 LEU HD1 H 0.810 0.020 2 289 . 27 LEU HD2 H 0.813 0.020 2 290 . 27 LEU CD1 C 25.140 0.400 1 291 . 27 LEU CD2 C 22.700 0.400 1 292 . 27 LEU C C 176.959 0.400 1 293 . 28 LYS N N 123.976 0.400 1 294 . 28 LYS H H 8.554 0.020 1 295 . 28 LYS CA C 57.980 0.400 1 296 . 28 LYS HA H 4.115 0.020 1 297 . 28 LYS CB C 32.480 0.400 1 298 . 28 LYS HB2 H 1.868 0.020 2 299 . 28 LYS HB3 H 1.812 0.020 2 300 . 28 LYS CG C 24.760 0.400 1 301 . 28 LYS HG2 H 1.542 0.020 2 302 . 28 LYS HG3 H 1.434 0.020 2 303 . 28 LYS CD C 29.600 0.400 1 304 . 28 LYS HD2 H 1.729 0.020 1 305 . 28 LYS HD3 H 1.729 0.020 1 306 . 28 LYS CE C 42.250 0.400 1 307 . 28 LYS HE2 H 3.026 0.020 1 308 . 28 LYS HE3 H 3.026 0.020 1 309 . 28 LYS C C 177.141 0.400 1 310 . 29 GLY N N 109.478 0.400 1 311 . 29 GLY H H 8.323 0.020 1 312 . 29 GLY CA C 45.500 0.400 1 313 . 29 GLY HA2 H 4.048 0.020 1 314 . 29 GLY HA3 H 4.048 0.020 1 315 . 29 GLY C C 173.764 0.400 1 316 . 30 SER N N 119.978 0.400 1 317 . 30 SER H H 7.955 0.020 1 318 . 30 SER CA C 59.840 0.400 1 319 . 30 SER HA H 4.298 0.020 1 320 . 30 SER CB C 65.080 0.400 1 321 . 30 SER HB2 H 3.872 0.020 1 322 . 30 SER HB3 H 3.872 0.020 1 323 . 31 SER CA C 58.430 0.400 1 324 . 31 SER HA H 4.531 0.020 1 325 . 31 SER CB C 63.380 0.400 1 326 . 31 SER HB2 H 4.019 0.020 2 327 . 31 SER HB3 H 3.946 0.020 2 328 . 31 SER C C 174.637 0.400 1 329 . 32 THR N N 119.788 0.400 1 330 . 32 THR H H 8.247 0.020 1 331 . 32 THR CA C 63.620 0.400 1 332 . 32 THR HA H 4.102 0.020 1 333 . 32 THR CB C 69.800 0.400 1 334 . 32 THR HB H 3.945 0.020 1 335 . 32 THR HG2 H 1.094 0.020 1 336 . 32 THR CG2 C 21.720 0.400 1 337 . 32 THR C C 172.726 0.400 1 338 . 33 VAL N N 126.995 0.400 1 339 . 33 VAL H H 8.410 0.020 1 340 . 33 VAL CA C 60.990 0.400 1 341 . 33 VAL HA H 4.486 0.020 1 342 . 33 VAL CB C 33.960 0.400 1 343 . 33 VAL HB H 1.862 0.020 1 344 . 33 VAL HG1 H 0.645 0.020 2 345 . 33 VAL HG2 H 0.868 0.020 2 346 . 33 VAL CG1 C 20.660 0.400 1 347 . 33 VAL CG2 C 21.410 0.400 1 348 . 33 VAL C C 176.169 0.400 1 349 . 34 LEU N N 128.611 0.400 1 350 . 34 LEU H H 8.974 0.020 1 351 . 34 LEU CA C 53.050 0.400 1 352 . 34 LEU HA H 4.591 0.020 1 353 . 34 LEU CB C 42.730 0.400 1 354 . 34 LEU HB2 H 1.744 0.020 2 355 . 34 LEU HB3 H 1.252 0.020 2 356 . 34 LEU CG C 26.710 0.400 1 357 . 34 LEU HG H 1.592 0.020 1 358 . 34 LEU HD1 H 0.856 0.020 2 359 . 34 LEU HD2 H 0.822 0.020 2 360 . 34 LEU CD1 C 26.550 0.400 1 361 . 34 LEU CD2 C 23.640 0.400 1 362 . 34 LEU C C 175.559 0.400 1 363 . 35 LYS N N 121.335 0.400 1 364 . 35 LYS H H 8.235 0.020 1 365 . 35 LYS CA C 55.650 0.400 1 366 . 35 LYS HA H 4.223 0.020 1 367 . 35 LYS CB C 33.210 0.400 1 368 . 35 LYS HB2 H 1.800 0.020 2 369 . 35 LYS HB3 H 1.660 0.020 2 370 . 35 LYS CG C 24.970 0.400 1 371 . 35 LYS HG2 H 1.546 0.020 2 372 . 35 LYS HG3 H 1.454 0.020 2 373 . 35 LYS CD C 28.390 0.400 1 374 . 35 LYS HD2 H 1.646 0.020 1 375 . 35 LYS HD3 H 1.646 0.020 1 376 . 35 LYS CE C 41.940 0.400 1 377 . 35 LYS HE2 H 3.014 0.020 1 378 . 35 LYS HE3 H 3.014 0.020 1 379 . 35 LYS C C 178.063 0.400 1 380 . 36 ARG N N 124.138 0.400 1 381 . 36 ARG H H 9.506 0.020 1 382 . 36 ARG CA C 58.470 0.400 1 383 . 36 ARG HA H 3.401 0.020 1 384 . 36 ARG CB C 30.030 0.400 1 385 . 36 ARG HB2 H 1.642 0.020 2 386 . 36 ARG HB3 H 1.562 0.020 2 387 . 36 ARG CG C 26.400 0.400 1 388 . 36 ARG HG2 H 1.457 0.020 2 389 . 36 ARG HG3 H 1.323 0.020 2 390 . 36 ARG CD C 43.470 0.400 1 391 . 36 ARG HD2 H 3.210 0.020 2 392 . 36 ARG HD3 H 3.141 0.020 2 393 . 36 ARG C C 175.839 0.400 1 394 . 37 GLY N N 115.255 0.400 1 395 . 37 GLY H H 9.084 0.020 1 396 . 37 GLY CA C 44.480 0.400 1 397 . 37 GLY HA2 H 4.440 0.020 2 398 . 37 GLY HA3 H 3.614 0.020 2 399 . 37 GLY C C 174.604 0.400 1 400 . 38 THR N N 118.866 0.400 1 401 . 38 THR H H 8.042 0.020 1 402 . 38 THR CA C 65.620 0.400 1 403 . 38 THR HA H 3.970 0.020 1 404 . 38 THR CB C 69.740 0.400 1 405 . 38 THR HB H 3.982 0.020 1 406 . 38 THR HG2 H 1.256 0.020 1 407 . 38 THR CG2 C 21.260 0.400 1 408 . 38 THR C C 172.858 0.400 1 409 . 39 MET N N 126.709 0.400 1 410 . 39 MET H H 8.657 0.020 1 411 . 39 MET CA C 54.090 0.400 1 412 . 39 MET HA H 4.946 0.020 1 413 . 39 MET CB C 32.880 0.400 1 414 . 39 MET HB2 H 2.068 0.020 2 415 . 39 MET HB3 H 1.896 0.020 2 416 . 39 MET CG C 32.130 0.400 1 417 . 39 MET HG2 H 2.474 0.020 1 418 . 39 MET HG3 H 2.474 0.020 1 419 . 39 MET HE H 1.977 0.020 1 420 . 39 MET CE C 16.480 0.400 1 421 . 39 MET C C 174.686 0.400 1 422 . 40 ILE N N 128.307 0.400 1 423 . 40 ILE H H 9.409 0.020 1 424 . 40 ILE CA C 58.990 0.400 1 425 . 40 ILE HA H 4.396 0.020 1 426 . 40 ILE CB C 36.340 0.400 1 427 . 40 ILE HB H 1.952 0.020 1 428 . 40 ILE HG2 H 0.713 0.020 1 429 . 40 ILE CG2 C 17.790 0.400 1 430 . 40 ILE CG1 C 26.590 0.400 1 431 . 40 ILE HG12 H 1.244 0.020 2 432 . 40 ILE HG13 H 0.984 0.020 2 433 . 40 ILE HD1 H 0.502 0.020 1 434 . 40 ILE CD1 C 11.410 0.400 1 435 . 40 ILE C C 174.966 0.400 1 436 . 41 ARG N N 125.051 0.400 1 437 . 41 ARG H H 8.863 0.020 1 438 . 41 ARG CA C 54.830 0.400 1 439 . 41 ARG HA H 4.998 0.020 1 440 . 41 ARG CB C 32.200 0.400 1 441 . 41 ARG HB2 H 1.704 0.020 2 442 . 41 ARG HB3 H 1.583 0.020 2 443 . 41 ARG CG C 28.360 0.400 1 444 . 41 ARG HG2 H 1.543 0.020 2 445 . 41 ARG HG3 H 1.374 0.020 2 446 . 41 ARG CD C 43.140 0.400 1 447 . 41 ARG HD2 H 3.157 0.020 1 448 . 41 ARG HD3 H 3.157 0.020 1 449 . 41 ARG C C 177.388 0.400 1 450 . 42 GLY N N 110.916 0.400 1 451 . 42 GLY H H 8.178 0.020 1 452 . 42 GLY CA C 47.820 0.400 1 453 . 42 GLY HA2 H 3.762 0.020 2 454 . 42 GLY HA3 H 3.650 0.020 2 455 . 42 GLY C C 175.889 0.400 1 456 . 43 ILE N N 113.958 0.400 1 457 . 43 ILE H H 8.591 0.020 1 458 . 43 ILE CA C 62.510 0.400 1 459 . 43 ILE HA H 4.554 0.020 1 460 . 43 ILE CB C 40.100 0.400 1 461 . 43 ILE HB H 1.849 0.020 1 462 . 43 ILE HG2 H 0.874 0.020 1 463 . 43 ILE CG2 C 19.000 0.400 1 464 . 43 ILE CG1 C 25.360 0.400 1 465 . 43 ILE HG12 H 1.358 0.020 1 466 . 43 ILE HG13 H 1.358 0.020 1 467 . 43 ILE HD1 H 0.704 0.020 1 468 . 43 ILE CD1 C 16.290 0.400 1 469 . 43 ILE C C 175.576 0.400 1 470 . 44 ARG N N 121.356 0.400 1 471 . 44 ARG H H 9.153 0.020 1 472 . 44 ARG CA C 54.010 0.400 1 473 . 44 ARG HA H 5.060 0.020 1 474 . 44 ARG CB C 33.360 0.400 1 475 . 44 ARG HB2 H 1.865 0.020 2 476 . 44 ARG HB3 H 1.691 0.020 2 477 . 44 ARG CG C 27.190 0.400 1 478 . 44 ARG HG2 H 1.690 0.020 1 479 . 44 ARG HG3 H 1.690 0.020 1 480 . 44 ARG CD C 43.420 0.400 1 481 . 44 ARG HD2 H 3.217 0.020 1 482 . 44 ARG HD3 H 3.217 0.020 1 483 . 44 ARG C C 175.444 0.400 1 484 . 45 LEU N N 123.745 0.400 1 485 . 45 LEU H H 8.856 0.020 1 486 . 45 LEU CA C 55.450 0.400 1 487 . 45 LEU HA H 4.467 0.020 1 488 . 45 LEU CB C 40.540 0.400 1 489 . 45 LEU HB2 H 1.748 0.020 1 490 . 45 LEU HB3 H 1.748 0.020 1 491 . 45 LEU CG C 28.230 0.400 1 492 . 45 LEU HG H 1.782 0.020 1 493 . 45 LEU HD1 H 0.859 0.020 2 494 . 45 LEU HD2 H 0.671 0.020 2 495 . 45 LEU CD1 C 25.090 0.400 1 496 . 45 LEU CD2 C 22.680 0.400 1 497 . 45 LEU C C 178.178 0.400 1 498 . 46 THR N N 114.647 0.400 1 499 . 46 THR H H 10.006 0.020 1 500 . 46 THR CA C 59.990 0.400 1 501 . 46 THR HA H 4.756 0.020 1 502 . 46 THR CB C 71.030 0.400 1 503 . 46 THR HB H 4.483 0.020 1 504 . 46 THR HG2 H 1.148 0.020 1 505 . 46 THR CG2 C 21.070 0.400 1 506 . 46 THR C C 173.731 0.400 1 507 . 47 ASP N N 116.946 0.400 1 508 . 47 ASP H H 8.273 0.020 1 509 . 47 ASP CA C 54.640 0.400 1 510 . 47 ASP HA H 4.595 0.020 1 511 . 47 ASP CB C 40.400 0.400 1 512 . 47 ASP HB2 H 2.721 0.020 1 513 . 47 ASP HB3 H 2.721 0.020 1 514 . 47 ASP C C 175.839 0.400 1 515 . 48 SER N N 114.244 0.400 1 516 . 48 SER H H 8.051 0.020 1 517 . 48 SER CA C 56.610 0.400 1 518 . 48 SER HA H 4.641 0.020 1 519 . 48 SER CB C 64.930 0.400 1 520 . 48 SER HB2 H 3.833 0.020 2 521 . 48 SER HB3 H 3.750 0.020 2 522 . 48 SER C C 174.406 0.400 1 523 . 49 GLU N N 123.557 0.400 1 524 . 49 GLU H H 9.030 0.020 1 525 . 49 GLU CA C 58.030 0.400 1 526 . 49 GLU HA H 4.155 0.020 1 527 . 49 GLU CB C 29.900 0.400 1 528 . 49 GLU HB2 H 2.106 0.020 2 529 . 49 GLU HB3 H 2.051 0.020 2 530 . 49 GLU CG C 36.540 0.400 1 531 . 49 GLU HG2 H 2.311 0.020 1 532 . 49 GLU HG3 H 2.311 0.020 1 533 . 49 GLU C C 175.345 0.400 1 534 . 50 ASP N N 114.468 0.400 1 535 . 50 ASP H H 8.126 0.020 1 536 . 50 ASP CA C 54.050 0.400 1 537 . 50 ASP HA H 4.779 0.020 1 538 . 50 ASP CB C 42.560 0.400 1 539 . 50 ASP HB2 H 2.686 0.020 1 540 . 50 ASP HB3 H 2.686 0.020 1 541 . 50 ASP C C 176.366 0.400 1 542 . 51 GLU N N 117.089 0.400 1 543 . 51 GLU H H 7.243 0.020 1 544 . 51 GLU CA C 55.020 0.400 1 545 . 51 GLU HA H 5.390 0.020 1 546 . 51 GLU CB C 34.730 0.400 1 547 . 51 GLU HB2 H 1.797 0.020 2 548 . 51 GLU HB3 H 1.698 0.020 2 549 . 51 GLU CG C 36.540 0.400 1 550 . 51 GLU HG2 H 2.110 0.020 2 551 . 51 GLU HG3 H 1.964 0.020 2 552 . 51 GLU C C 175.279 0.400 1 553 . 52 ILE N N 114.038 0.400 1 554 . 52 ILE H H 8.800 0.020 1 555 . 52 ILE CA C 58.030 0.400 1 556 . 52 ILE HA H 4.787 0.020 1 557 . 52 ILE CB C 42.790 0.400 1 558 . 52 ILE HB H 2.020 0.020 1 559 . 52 ILE HG2 H 0.721 0.020 1 560 . 52 ILE CG2 C 23.390 0.400 1 561 . 52 ILE CG1 C 26.800 0.400 1 562 . 52 ILE HG12 H 1.221 0.020 2 563 . 52 ILE HG13 H 0.663 0.020 2 564 . 52 ILE HD1 H 0.638 0.020 1 565 . 52 ILE CD1 C 14.910 0.400 1 566 . 52 ILE C C 173.797 0.400 1 567 . 53 GLU N N 120.587 0.400 1 568 . 53 GLU H H 8.912 0.020 1 569 . 53 GLU CA C 54.130 0.400 1 570 . 53 GLU HA H 5.545 0.020 1 571 . 53 GLU CB C 32.960 0.400 1 572 . 53 GLU HB2 H 1.970 0.020 2 573 . 53 GLU HB3 H 1.781 0.020 2 574 . 53 GLU CG C 36.730 0.400 1 575 . 53 GLU HG2 H 2.097 0.020 1 576 . 53 GLU HG3 H 2.097 0.020 1 577 . 53 GLU C C 176.235 0.400 1 578 . 54 GLY N N 110.508 0.400 1 579 . 54 GLY H H 8.869 0.020 1 580 . 54 GLY CA C 44.810 0.400 1 581 . 54 GLY HA2 H 4.548 0.020 2 582 . 54 GLY HA3 H 3.400 0.020 2 583 . 54 GLY C C 170.420 0.400 1 584 . 55 ARG N N 115.459 0.400 1 585 . 55 ARG H H 7.907 0.020 1 586 . 55 ARG CA C 54.720 0.400 1 587 . 55 ARG HA H 5.203 0.020 1 588 . 55 ARG CB C 33.340 0.400 1 589 . 55 ARG HB2 H 2.277 0.020 2 590 . 55 ARG HB3 H 2.054 0.020 2 591 . 55 ARG CG C 25.440 0.400 1 592 . 55 ARG HG2 H 1.799 0.020 2 593 . 55 ARG HG3 H 1.411 0.020 2 594 . 55 ARG CD C 43.920 0.400 1 595 . 55 ARG HD2 H 3.193 0.020 1 596 . 55 ARG HD3 H 3.193 0.020 1 597 . 55 ARG C C 175.263 0.400 1 598 . 56 THR N N 111.337 0.400 1 599 . 56 THR H H 8.943 0.020 1 600 . 56 THR CA C 59.470 0.400 1 601 . 56 THR HA H 4.966 0.020 1 602 . 56 THR CB C 70.890 0.400 1 603 . 56 THR HB H 4.732 0.020 1 604 . 56 THR HG2 H 1.172 0.020 1 605 . 56 THR CG2 C 22.280 0.400 1 606 . 56 THR C C 174.670 0.400 1 607 . 57 ASP N N 118.082 0.400 1 608 . 57 ASP H H 8.764 0.020 1 609 . 57 ASP CA C 57.060 0.400 1 610 . 57 ASP HA H 4.389 0.020 1 611 . 57 ASP CB C 40.030 0.400 1 612 . 57 ASP HB2 H 2.778 0.020 2 613 . 57 ASP HB3 H 2.735 0.020 2 614 . 57 ASP C C 176.976 0.400 1 615 . 58 LYS N N 115.343 0.400 1 616 . 58 LYS H H 7.905 0.020 1 617 . 58 LYS CA C 56.120 0.400 1 618 . 58 LYS HA H 4.472 0.020 1 619 . 58 LYS CB C 35.210 0.400 1 620 . 58 LYS HB2 H 1.911 0.020 2 621 . 58 LYS HB3 H 1.742 0.020 2 622 . 58 LYS CG C 25.220 0.400 1 623 . 58 LYS HG2 H 1.467 0.020 2 624 . 58 LYS HG3 H 1.370 0.020 2 625 . 58 LYS CD C 28.380 0.400 1 626 . 58 LYS HD2 H 1.662 0.020 1 627 . 58 LYS HD3 H 1.662 0.020 1 628 . 58 LYS CE C 42.210 0.400 1 629 . 58 LYS HE2 H 3.002 0.020 1 630 . 58 LYS HE3 H 3.002 0.020 1 631 . 58 LYS C C 176.152 0.400 1 632 . 59 ILE N N 120.521 0.400 1 633 . 59 ILE H H 7.733 0.020 1 634 . 59 ILE CA C 60.920 0.400 1 635 . 59 ILE HA H 4.328 0.020 1 636 . 59 ILE CB C 40.310 0.400 1 637 . 59 ILE HB H 1.808 0.020 1 638 . 59 ILE HG2 H 0.906 0.020 1 639 . 59 ILE CG2 C 18.310 0.400 1 640 . 59 ILE CG1 C 26.880 0.400 1 641 . 59 ILE HG12 H 1.378 0.020 1 642 . 59 ILE HG13 H 1.378 0.020 1 643 . 59 ILE HD1 H 0.839 0.020 1 644 . 59 ILE CD1 C 13.700 0.400 1 645 . 59 ILE C C 174.274 0.400 1 646 . 60 LYS N N 124.766 0.400 1 647 . 60 LYS H H 8.497 0.020 1 648 . 60 LYS CA C 55.570 0.400 1 649 . 60 LYS HA H 4.633 0.020 1 650 . 60 LYS CB C 33.980 0.400 1 651 . 60 LYS HB2 H 1.863 0.020 2 652 . 60 LYS HB3 H 1.771 0.020 2 653 . 60 LYS CG C 24.820 0.400 1 654 . 60 LYS HG2 H 1.428 0.020 2 655 . 60 LYS HG3 H 1.369 0.020 2 656 . 60 LYS CD C 29.340 0.400 1 657 . 60 LYS HD2 H 1.714 0.020 1 658 . 60 LYS HD3 H 1.714 0.020 1 659 . 60 LYS CE C 42.170 0.400 1 660 . 60 LYS HE2 H 3.049 0.020 1 661 . 60 LYS HE3 H 3.049 0.020 1 662 . 60 LYS C C 176.614 0.400 1 663 . 61 GLY N N 108.412 0.400 1 664 . 61 GLY H H 8.289 0.020 1 665 . 61 GLY CA C 47.040 0.400 1 666 . 61 GLY HA2 H 3.944 0.020 2 667 . 61 GLY HA3 H 3.831 0.020 2 668 . 61 GLY C C 174.521 0.400 1 669 . 62 LEU N N 120.888 0.400 1 670 . 62 LEU H H 8.178 0.020 1 671 . 62 LEU CA C 54.610 0.400 1 672 . 62 LEU HA H 4.327 0.020 1 673 . 62 LEU CB C 43.370 0.400 1 674 . 62 LEU HB2 H 1.500 0.020 2 675 . 62 LEU HB3 H 1.251 0.020 2 676 . 62 LEU CG C 26.680 0.400 1 677 . 62 LEU HG H 1.457 0.020 1 678 . 62 LEU HD1 H 0.805 0.020 2 679 . 62 LEU HD2 H 0.808 0.020 2 680 . 62 LEU CD1 C 26.300 0.400 1 681 . 62 LEU CD2 C 25.130 0.400 1 682 . 62 LEU C C 175.395 0.400 1 683 . 63 VAL N N 124.285 0.400 1 684 . 63 VAL H H 8.189 0.020 1 685 . 63 VAL CA C 61.950 0.400 1 686 . 63 VAL HA H 4.837 0.020 1 687 . 63 VAL CB C 32.380 0.400 1 688 . 63 VAL HB H 1.912 0.020 1 689 . 63 VAL HG1 H 0.777 0.020 2 690 . 63 VAL HG2 H 0.910 0.020 2 691 . 63 VAL CG1 C 21.440 0.400 1 692 . 63 VAL CG2 C 21.260 0.400 1 693 . 63 VAL C C 176.202 0.400 1 694 . 64 LEU N N 126.965 0.400 1 695 . 64 LEU H H 8.819 0.020 1 696 . 64 LEU CA C 52.980 0.400 1 697 . 64 LEU HA H 4.861 0.020 1 698 . 64 LEU CB C 46.680 0.400 1 699 . 64 LEU HB2 H 1.442 0.020 2 700 . 64 LEU HB3 H 1.318 0.020 2 701 . 64 LEU CG C 26.970 0.400 1 702 . 64 LEU HG H 1.217 0.020 1 703 . 64 LEU HD1 H 0.661 0.020 2 704 . 64 LEU HD2 H 0.817 0.020 2 705 . 64 LEU CD1 C 26.970 0.400 1 706 . 64 LEU CD2 C 24.530 0.400 1 707 . 64 LEU C C 175.691 0.400 1 708 . 65 ARG N N 121.077 0.400 1 709 . 65 ARG H H 8.375 0.020 1 710 . 65 ARG CA C 55.980 0.400 1 711 . 65 ARG HA H 5.020 0.020 1 712 . 65 ARG CB C 30.470 0.400 1 713 . 65 ARG HB2 H 2.144 0.020 2 714 . 65 ARG HB3 H 1.742 0.020 2 715 . 65 ARG CG C 28.220 0.400 1 716 . 65 ARG HG2 H 1.977 0.020 2 717 . 65 ARG HG3 H 1.730 0.020 2 718 . 65 ARG CD C 43.100 0.400 1 719 . 65 ARG HD2 H 3.471 0.020 2 720 . 65 ARG HD3 H 3.193 0.020 2 721 . 65 ARG C C 178.178 0.400 1 722 . 66 THR N N 114.794 0.400 1 723 . 66 THR H H 8.298 0.020 1 724 . 66 THR CA C 65.038 0.400 1 725 . 66 THR HA H 3.615 0.020 1 726 . 66 THR CB C 67.630 0.400 1 727 . 66 THR HB H 4.533 0.020 1 728 . 66 THR HG2 H 0.882 0.020 1 729 . 66 THR CG2 C 23.750 0.400 1 730 . 66 THR C C 176.399 0.400 1 731 . 67 GLU N N 117.894 0.400 1 732 . 67 GLU H H 8.225 0.020 1 733 . 67 GLU CA C 57.880 0.400 1 734 . 67 GLU HA H 4.002 0.020 1 735 . 67 GLU CB C 28.990 0.400 1 736 . 67 GLU HB2 H 1.899 0.020 2 737 . 67 GLU HB3 H 1.542 0.020 2 738 . 67 GLU CG C 34.730 0.400 1 739 . 67 GLU HG2 H 1.545 0.020 2 740 . 67 GLU HG3 H 0.986 0.020 2 741 . 67 GLU C C 175.773 0.400 1 742 . 68 PHE N N 115.837 0.400 1 743 . 68 PHE H H 7.330 0.020 1 744 . 68 PHE CA C 55.830 0.400 1 745 . 68 PHE HA H 4.993 0.020 1 746 . 68 PHE CB C 39.380 0.400 1 747 . 68 PHE HB2 H 3.627 0.020 2 748 . 68 PHE HB3 H 2.877 0.020 2 749 . 68 PHE CD1 C 131.391 0.400 1 750 . 68 PHE HD1 H 7.202 0.020 1 751 . 68 PHE HD2 H 7.202 0.020 1 752 . 68 PHE C C 174.637 0.400 1 753 . 69 LEU N N 119.379 0.400 1 754 . 69 LEU H H 7.863 0.020 1 755 . 69 LEU CA C 53.230 0.400 1 756 . 69 LEU HA H 5.372 0.020 1 757 . 69 LEU CB C 45.250 0.400 1 758 . 69 LEU HB2 H 1.713 0.020 2 759 . 69 LEU HB3 H 1.130 0.020 2 760 . 69 LEU CG C 25.080 0.400 1 761 . 69 LEU HG H 2.002 0.020 1 762 . 69 LEU HD1 H 0.621 0.020 2 763 . 69 LEU HD2 H 0.690 0.020 2 764 . 69 LEU CD1 C 26.590 0.400 1 765 . 69 LEU CD2 C 23.860 0.400 1 766 . 69 LEU C C 174.192 0.400 1 767 . 70 LYS N N 120.793 0.400 1 768 . 70 LYS H H 8.994 0.020 1 769 . 70 LYS CA C 54.020 0.400 1 770 . 70 LYS HA H 4.949 0.020 1 771 . 70 LYS CB C 36.750 0.400 1 772 . 70 LYS HB2 H 1.730 0.020 2 773 . 70 LYS HB3 H 1.600 0.020 2 774 . 70 LYS CG C 24.510 0.400 1 775 . 70 LYS HG2 H 1.355 0.020 2 776 . 70 LYS HG3 H 1.289 0.020 2 777 . 70 LYS CD C 29.440 0.400 1 778 . 70 LYS HD2 H 1.609 0.020 2 779 . 70 LYS HD3 H 1.520 0.020 2 780 . 70 LYS CE C 42.330 0.400 1 781 . 70 LYS HE2 H 2.903 0.020 1 782 . 70 LYS HE3 H 2.903 0.020 1 783 . 70 LYS C C 176.053 0.400 1 784 . 71 LYS N N 129.801 0.400 1 785 . 71 LYS H H 10.724 0.020 1 786 . 71 LYS CA C 58.990 0.400 1 787 . 71 LYS HA H 4.167 0.020 1 788 . 71 LYS CB C 32.960 0.400 1 789 . 71 LYS HB2 H 1.756 0.020 2 790 . 71 LYS HB3 H 1.638 0.020 2 791 . 71 LYS CG C 26.010 0.400 1 792 . 71 LYS HG2 H 1.526 0.020 2 793 . 71 LYS HG3 H 1.379 0.020 2 794 . 71 LYS CD C 29.730 0.400 1 795 . 71 LYS HD2 H 1.712 0.020 1 796 . 71 LYS HD3 H 1.712 0.020 1 797 . 71 LYS CE C 42.230 0.400 1 798 . 71 LYS HE2 H 3.007 0.020 1 799 . 71 LYS HE3 H 3.007 0.020 1 800 . 71 LYS C C 175.938 0.400 1 801 . 72 ALA N N 131.617 0.400 1 802 . 72 ALA H H 8.822 0.020 1 803 . 72 ALA CA C 51.640 0.400 1 804 . 72 ALA HA H 4.584 0.020 1 805 . 72 ALA HB H 1.297 0.020 1 806 . 72 ALA CB C 20.140 0.400 1 807 . 72 ALA C C 177.223 0.400 1 808 . 73 GLY N N 109.902 0.400 1 809 . 73 GLY H H 8.450 0.020 1 stop_ save_