data_15210 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of 50S Ribosomal Protein L14e from Sulfolobus Solfataricus; Northeast Structural Genomics Consortium Target SSR105. ; _BMRB_accession_number 15210 _BMRB_flat_file_name bmr15210.str _Entry_type original _Submission_date 2007-04-10 _Accession_date 2007-04-10 _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 Singarapu 'Kiran Kumar' . . 2 Wu Yibing . . 3 Yee Adelinda . . 4 semesi Anthony . . 5 Arrowsmith cheryl . . 6 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 596 "13C chemical shifts" 432 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2007-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of 50S Ribosomal Protein L14e from Sulfolobus Solfataricus; Northeast Structural Genomics Consortium Target SSR105. ; _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 Singarapu 'Kiran Kumar' . . 2 Wu Yibing . . 3 Yee Adelinda . . 4 semesi Anthony . . 5 Arrowsmith cheryl . . 6 Szyperski Thomas . . 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 '50s ribosomal protein l14e' 'protein nmr' PSI-2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '50s ribosomal protein l14e' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '50s ribosomal protein l14e' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '50s ribosomal protein l14e' _Molecular_mass 10886.001 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MPAIEVGRICVKVKGREAGS KCVIVDIIDDNFVLVTGPKD ITGVKRRRVNILHLEPTDKK IDIQKGASDEEVKKKLEESN LTEYMKEKIKIRMPTL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ALA 4 ILE 5 GLU 6 VAL 7 GLY 8 ARG 9 ILE 10 CYS 11 VAL 12 LYS 13 VAL 14 LYS 15 GLY 16 ARG 17 GLU 18 ALA 19 GLY 20 SER 21 LYS 22 CYS 23 VAL 24 ILE 25 VAL 26 ASP 27 ILE 28 ILE 29 ASP 30 ASP 31 ASN 32 PHE 33 VAL 34 LEU 35 VAL 36 THR 37 GLY 38 PRO 39 LYS 40 ASP 41 ILE 42 THR 43 GLY 44 VAL 45 LYS 46 ARG 47 ARG 48 ARG 49 VAL 50 ASN 51 ILE 52 LEU 53 HIS 54 LEU 55 GLU 56 PRO 57 THR 58 ASP 59 LYS 60 LYS 61 ILE 62 ASP 63 ILE 64 GLN 65 LYS 66 GLY 67 ALA 68 SER 69 ASP 70 GLU 71 GLU 72 VAL 73 LYS 74 LYS 75 LYS 76 LEU 77 GLU 78 GLU 79 SER 80 ASN 81 LEU 82 THR 83 GLU 84 TYR 85 MET 86 LYS 87 GLU 88 LYS 89 ILE 90 LYS 91 ILE 92 ARG 93 MET 94 PRO 95 THR 96 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16121 L14e_ribosomal_protein 100.00 96 100.00 100.00 1.36e-59 PDB 2JOY "Nmr Structure Of 50s Ribosomal Protein L14e From Sulfolobus Solfataricus: Northeast Structural Genomics Consortium Target Ssr10" 100.00 96 100.00 100.00 1.36e-59 PDB 2KDS "Structure Of Ribosomal Protein L14e From Sulfolobus Solfataricus" 98.96 95 100.00 100.00 1.11e-58 GB AAK40722 "LSU ribosomal protein L14E (rpl14E) [Sulfolobus solfataricus P2]" 100.00 96 100.00 100.00 1.36e-59 GB ACX91605 "50S ribosomal protein L14 [Sulfolobus solfataricus 98/2]" 100.00 96 100.00 100.00 1.36e-59 GB AKA73699 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 GB AKA76396 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 GB AKA79089 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 REF WP_009988801 "50S ribosomal protein L14 [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 SP Q980C1 "RecName: Full=50S ribosomal protein L14e" 100.00 96 100.00 100.00 1.36e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . 2287 Archaea . Sulfolobus solfataricus 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 $entity 'recombinant technology' . E. "coli - cell free" . p11 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 $entity 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-10% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski, Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure display' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_750 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_4,3_D_GFT_HCCH_COFY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3 D GFT HCCH COFY' _Sample_label $sample_1 save_ save_3D_HCCH_COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label $sample_1 save_ save_3D_Simultanious_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Simultanious NOESY' _Sample_label $sample_1 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' 320 20 mM pH 7.0 0.1 pH pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '4,3 D GFT HCCH COFY' '3D HCCH COSY' '3D Simultanious NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '50s ribosomal protein l14e' _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 2 2 PRO HA H 4.268 0.000 1 2 2 2 PRO HB2 H 1.676 0.000 2 3 2 2 PRO HB3 H 2.240 0.000 2 4 2 2 PRO HD2 H 3.552 0.000 2 5 2 2 PRO HD3 H 3.843 0.000 2 6 2 2 PRO HG2 H 1.905 0.000 2 7 2 2 PRO HG3 H 1.867 0.000 2 8 2 2 PRO C C 175.855 0.000 1 9 2 2 PRO CA C 63.215 0.000 1 10 2 2 PRO CB C 32.177 0.000 1 11 2 2 PRO CD C 50.677 0.000 1 12 2 2 PRO CG C 27.537 0.000 1 13 3 3 ALA H H 7.926 0.000 1 14 3 3 ALA HA H 4.196 0.000 1 15 3 3 ALA HB H 1.337 0.000 1 16 3 3 ALA C C 178.090 0.000 1 17 3 3 ALA CA C 52.438 0.000 1 18 3 3 ALA CB C 19.453 0.000 1 19 3 3 ALA N N 120.780 0.000 1 20 4 4 ILE H H 8.276 0.000 1 21 4 4 ILE HA H 3.679 0.000 1 22 4 4 ILE HB H 2.170 0.000 1 23 4 4 ILE HD1 H 0.727 0.006 1 24 4 4 ILE HG12 H 1.516 0.000 2 25 4 4 ILE HG13 H 1.479 0.004 2 26 4 4 ILE HG2 H 0.765 0.000 1 27 4 4 ILE C C 173.231 0.000 1 28 4 4 ILE CA C 60.314 0.000 1 29 4 4 ILE CB C 34.521 0.000 1 30 4 4 ILE CD1 C 9.860 0.000 1 31 4 4 ILE CG1 C 26.174 0.000 1 32 4 4 ILE CG2 C 16.941 0.000 1 33 4 4 ILE N N 120.136 0.000 1 34 5 5 GLU H H 6.804 0.002 1 35 5 5 GLU HA H 4.668 0.004 1 36 5 5 GLU HB2 H 2.058 0.000 2 37 5 5 GLU HB3 H 2.074 0.000 2 38 5 5 GLU HG2 H 2.202 0.000 2 39 5 5 GLU HG3 H 1.857 0.000 2 40 5 5 GLU C C 174.397 0.000 1 41 5 5 GLU CA C 53.578 0.000 1 42 5 5 GLU CB C 32.435 0.000 1 43 5 5 GLU CG C 34.694 0.000 1 44 5 5 GLU N N 123.245 0.000 1 45 6 6 VAL H H 8.943 0.000 1 46 6 6 VAL HA H 3.318 0.007 1 47 6 6 VAL HB H 2.001 0.000 1 48 6 6 VAL HG1 H 0.970 0.003 2 49 6 6 VAL HG2 H 0.798 0.004 2 50 6 6 VAL C C 177.167 0.000 1 51 6 6 VAL CA C 65.876 0.000 1 52 6 6 VAL CB C 31.221 0.000 1 53 6 6 VAL CG1 C 22.850 0.000 1 54 6 6 VAL CG2 C 20.980 0.009 1 55 6 6 VAL N N 122.388 0.000 1 56 7 7 GLY H H 9.535 0.005 1 57 7 7 GLY HA2 H 3.192 0.006 2 58 7 7 GLY HA3 H 5.013 0.005 2 59 7 7 GLY C C 174.009 0.000 1 60 7 7 GLY CA C 44.811 0.000 1 61 7 7 GLY N N 116.126 0.000 1 62 8 8 ARG H H 8.191 0.000 1 63 8 8 ARG HA H 4.232 0.000 1 64 8 8 ARG HB2 H 2.160 0.000 2 65 8 8 ARG HB3 H 2.270 0.000 2 66 8 8 ARG HD2 H 3.133 0.000 2 67 8 8 ARG HD3 H 3.130 0.000 2 68 8 8 ARG HG2 H 1.999 0.000 2 69 8 8 ARG HG3 H 1.884 0.000 2 70 8 8 ARG C C 175.677 0.000 1 71 8 8 ARG CA C 55.074 0.000 1 72 8 8 ARG CB C 29.284 0.000 1 73 8 8 ARG CD C 43.100 0.000 1 74 8 8 ARG CG C 24.124 0.000 1 75 8 8 ARG N N 120.566 0.000 1 76 9 9 ILE H H 8.636 0.000 1 77 9 9 ILE HA H 4.984 0.000 1 78 9 9 ILE HB H 1.923 0.003 1 79 9 9 ILE HD1 H 0.897 0.002 1 80 9 9 ILE HG12 H 1.768 0.000 2 81 9 9 ILE HG13 H 1.247 0.000 2 82 9 9 ILE HG2 H 1.232 0.000 1 83 9 9 ILE C C 177.555 0.000 1 84 9 9 ILE CA C 61.489 0.000 1 85 9 9 ILE CB C 36.740 0.006 1 86 9 9 ILE CD1 C 15.342 0.000 1 87 9 9 ILE CG1 C 29.969 0.000 1 88 9 9 ILE CG2 C 18.397 0.000 1 89 9 9 ILE N N 130.075 0.000 1 90 10 10 CYS H H 9.628 0.000 1 91 10 10 CYS HA H 5.468 0.000 1 92 10 10 CYS HB2 H 2.413 0.000 2 93 10 10 CYS HB3 H 2.725 0.000 2 94 10 10 CYS C C 172.308 0.000 1 95 10 10 CYS CA C 57.321 0.000 1 96 10 10 CYS CB C 33.181 0.000 1 97 10 10 CYS N N 126.685 0.000 1 98 11 11 VAL H H 8.977 0.003 1 99 11 11 VAL HA H 4.334 0.001 1 100 11 11 VAL HB H 1.907 0.001 1 101 11 11 VAL HG1 H 0.862 0.004 2 102 11 11 VAL HG2 H 0.752 0.000 2 103 11 11 VAL C C 175.920 0.000 1 104 11 11 VAL CA C 61.124 0.000 1 105 11 11 VAL CB C 34.197 0.000 1 106 11 11 VAL CG1 C 21.756 0.000 1 107 11 11 VAL CG2 C 20.869 0.000 1 108 11 11 VAL N N 120.178 0.000 1 109 12 12 LYS H H 8.981 0.000 1 110 12 12 LYS HA H 4.802 0.000 1 111 12 12 LYS HB2 H 2.152 0.006 2 112 12 12 LYS HB3 H 1.564 0.000 2 113 12 12 LYS HD2 H 1.790 0.000 2 114 12 12 LYS HD3 H 1.791 0.000 2 115 12 12 LYS HE2 H 3.127 0.000 2 116 12 12 LYS HE3 H 3.126 0.000 2 117 12 12 LYS HG2 H 1.593 0.000 2 118 12 12 LYS HG3 H 1.592 0.000 2 119 12 12 LYS C C 176.648 0.000 1 120 12 12 LYS CA C 56.517 0.000 1 121 12 12 LYS CB C 33.029 0.000 1 122 12 12 LYS CD C 27.477 0.000 1 123 12 12 LYS CE C 41.955 0.000 1 124 12 12 LYS CG C 26.242 0.000 1 125 12 12 LYS N N 128.291 0.000 1 126 13 13 VAL H H 8.611 0.000 1 127 13 13 VAL HA H 4.525 0.000 1 128 13 13 VAL HB H 2.417 0.000 1 129 13 13 VAL HG1 H 0.867 0.000 2 130 13 13 VAL HG2 H 0.727 0.000 2 131 13 13 VAL C C 174.478 0.000 1 132 13 13 VAL CA C 61.794 0.000 1 133 13 13 VAL CB C 32.165 0.000 1 134 13 13 VAL CG1 C 21.922 0.000 1 135 13 13 VAL CG2 C 18.150 0.000 1 136 13 13 VAL N N 118.910 0.000 1 137 14 14 LYS H H 7.290 0.000 1 138 14 14 LYS HA H 4.592 0.000 1 139 14 14 LYS HB2 H 1.415 0.000 2 140 14 14 LYS HB3 H 1.140 0.000 2 141 14 14 LYS HD2 H 1.388 0.000 2 142 14 14 LYS HD3 H 1.390 0.000 2 143 14 14 LYS HE2 H 2.855 0.000 2 144 14 14 LYS HE3 H 2.855 0.000 2 145 14 14 LYS HG2 H 1.130 0.000 2 146 14 14 LYS HG3 H 1.128 0.000 2 147 14 14 LYS C C 177.750 0.000 1 148 14 14 LYS CA C 54.303 0.000 1 149 14 14 LYS CB C 36.859 0.000 1 150 14 14 LYS CD C 28.780 0.000 1 151 14 14 LYS CE C 42.075 0.000 1 152 14 14 LYS CG C 25.139 0.000 1 153 14 14 LYS N N 118.338 0.000 1 154 15 15 GLY H H 8.488 0.000 1 155 15 15 GLY HA2 H 3.985 0.000 2 156 15 15 GLY HA3 H 4.016 0.000 2 157 15 15 GLY C C 180.001 0.000 1 158 15 15 GLY CA C 45.330 0.000 1 159 15 15 GLY N N 110.619 0.000 1 160 16 16 ARG H H 8.250 0.000 1 161 16 16 ARG HA H 4.086 0.000 1 162 16 16 ARG HB2 H 1.875 0.000 2 163 16 16 ARG HB3 H 1.873 0.000 2 164 16 16 ARG HD2 H 3.281 0.000 2 165 16 16 ARG HD3 H 3.280 0.000 2 166 16 16 ARG HG2 H 1.743 0.000 2 167 16 16 ARG HG3 H 1.741 0.000 2 168 16 16 ARG C C 174.980 0.000 1 169 16 16 ARG CA C 58.297 0.000 1 170 16 16 ARG CB C 30.053 0.000 1 171 16 16 ARG CD C 43.100 0.000 1 172 16 16 ARG CG C 27.310 0.000 1 173 16 16 ARG N N 117.073 0.000 1 174 17 17 GLU H H 8.521 0.000 1 175 17 17 GLU HA H 4.122 0.000 1 176 17 17 GLU HB2 H 3.000 0.000 2 177 17 17 GLU HB3 H 3.000 0.000 2 178 17 17 GLU HG2 H 2.324 0.000 2 179 17 17 GLU HG3 H 2.310 0.000 2 180 17 17 GLU C C 175.337 0.000 1 181 17 17 GLU CA C 55.644 0.000 1 182 17 17 GLU CB C 27.474 0.000 1 183 17 17 GLU CG C 36.405 0.000 1 184 17 17 GLU N N 123.293 0.000 1 185 18 18 ALA H H 7.279 0.000 1 186 18 18 ALA HA H 3.744 0.001 1 187 18 18 ALA HB H 1.192 0.000 1 188 18 18 ALA C C 178.884 0.000 1 189 18 18 ALA CA C 53.495 0.000 1 190 18 18 ALA CB C 17.501 0.000 1 191 18 18 ALA N N 120.634 0.000 1 192 19 19 GLY H H 9.494 0.002 1 193 19 19 GLY HA2 H 3.467 0.005 2 194 19 19 GLY HA3 H 4.686 0.007 2 195 19 19 GLY C C 173.749 0.000 1 196 19 19 GLY CA C 45.130 0.000 1 197 19 19 GLY N N 112.549 0.000 1 198 20 20 SER H H 8.201 0.001 1 199 20 20 SER HA H 4.882 0.000 1 200 20 20 SER HB2 H 3.944 0.001 2 201 20 20 SER HB3 H 3.942 0.000 2 202 20 20 SER C C 173.102 0.000 1 203 20 20 SER CA C 58.531 0.000 1 204 20 20 SER CB C 64.702 0.000 1 205 20 20 SER N N 115.606 0.000 1 206 21 21 LYS H H 8.858 0.000 1 207 21 21 LYS HA H 5.377 0.000 1 208 21 21 LYS HB2 H 1.879 0.005 2 209 21 21 LYS HB3 H 2.112 0.000 2 210 21 21 LYS HD2 H 1.602 0.000 2 211 21 21 LYS HD3 H 1.451 0.002 2 212 21 21 LYS HE2 H 2.617 0.002 2 213 21 21 LYS HE3 H 2.616 0.001 2 214 21 21 LYS HG2 H 1.265 0.004 2 215 21 21 LYS HG3 H 1.608 0.002 2 216 21 21 LYS C C 174.478 0.000 1 217 21 21 LYS CA C 55.661 0.000 1 218 21 21 LYS CB C 35.039 0.000 1 219 21 21 LYS CD C 30.398 0.000 1 220 21 21 LYS CE C 42.552 0.000 1 221 21 21 LYS CG C 27.412 0.000 1 222 21 21 LYS N N 121.361 0.000 1 223 22 22 CYS H H 8.945 0.000 1 224 22 22 CYS HA H 5.542 0.006 1 225 22 22 CYS HB2 H 3.127 0.007 2 226 22 22 CYS HB3 H 2.307 0.005 2 227 22 22 CYS C C 171.498 0.000 1 228 22 22 CYS CA C 55.786 0.000 1 229 22 22 CYS CB C 31.232 0.000 1 230 22 22 CYS N N 110.209 0.000 1 231 23 23 VAL H H 9.355 0.004 1 232 23 23 VAL HA H 4.753 0.005 1 233 23 23 VAL HB H 1.794 0.003 1 234 23 23 VAL HG1 H 0.922 0.001 2 235 23 23 VAL HG2 H 0.783 0.002 2 236 23 23 VAL C C 176.146 0.000 1 237 23 23 VAL CA C 60.752 0.000 1 238 23 23 VAL CB C 35.376 0.000 1 239 23 23 VAL CG1 C 21.217 0.000 1 240 23 23 VAL CG2 C 20.947 0.000 1 241 23 23 VAL N N 119.172 0.000 1 242 24 24 ILE H H 8.278 0.000 1 243 24 24 ILE HA H 4.252 0.003 1 244 24 24 ILE HB H 2.274 0.002 1 245 24 24 ILE HD1 H 0.919 0.001 1 246 24 24 ILE HG12 H 0.999 0.000 2 247 24 24 ILE HG13 H 1.909 0.008 2 248 24 24 ILE HG2 H 0.762 0.000 1 249 24 24 ILE C C 176.033 0.000 1 250 24 24 ILE CA C 62.930 0.000 1 251 24 24 ILE CB C 37.040 0.000 1 252 24 24 ILE CD1 C 14.606 0.000 1 253 24 24 ILE CG1 C 28.120 0.000 1 254 24 24 ILE CG2 C 17.889 0.000 1 255 24 24 ILE N N 124.598 0.000 1 256 25 25 VAL H H 9.250 0.003 1 257 25 25 VAL HA H 4.691 0.005 1 258 25 25 VAL HB H 2.257 0.003 1 259 25 25 VAL HG1 H 0.828 0.000 2 260 25 25 VAL HG2 H 0.652 0.001 2 261 25 25 VAL C C 179.272 0.000 1 262 25 25 VAL CA C 61.183 0.000 1 263 25 25 VAL CB C 33.235 0.000 1 264 25 25 VAL CG1 C 22.953 0.000 1 265 25 25 VAL CG2 C 19.184 0.000 1 266 25 25 VAL N N 122.048 0.000 1 267 26 26 ASP H H 8.133 0.004 1 268 26 26 ASP HA H 4.766 0.001 1 269 26 26 ASP HB2 H 2.410 0.003 2 270 26 26 ASP HB3 H 2.571 0.007 2 271 26 26 ASP C C 174.284 0.000 1 272 26 26 ASP CA C 53.672 0.000 1 273 26 26 ASP CB C 43.821 0.000 1 274 26 26 ASP N N 118.692 0.000 1 275 27 27 ILE H H 9.117 0.000 1 276 27 27 ILE HA H 4.282 0.006 1 277 27 27 ILE HB H 1.964 0.000 1 278 27 27 ILE HD1 H 0.745 0.000 1 279 27 27 ILE HG12 H 1.461 0.003 2 280 27 27 ILE HG13 H 1.244 0.000 2 281 27 27 ILE HG2 H 0.884 0.005 1 282 27 27 ILE C C 175.158 0.000 1 283 27 27 ILE CA C 60.480 0.000 1 284 27 27 ILE CB C 38.474 0.000 1 285 27 27 ILE CD1 C 12.091 0.000 1 286 27 27 ILE CG1 C 27.063 0.000 1 287 27 27 ILE CG2 C 17.510 0.000 1 288 27 27 ILE N N 124.464 0.000 1 289 28 28 ILE H H 8.079 0.003 1 290 28 28 ILE HA H 3.991 0.000 1 291 28 28 ILE HB H 1.735 0.005 1 292 28 28 ILE HD1 H 0.691 0.007 1 293 28 28 ILE HG12 H 1.226 0.000 2 294 28 28 ILE HG13 H 1.146 0.000 2 295 28 28 ILE HG2 H 0.847 0.003 1 296 28 28 ILE C C 175.677 0.000 1 297 28 28 ILE CA C 63.106 0.000 1 298 28 28 ILE CB C 37.715 0.000 1 299 28 28 ILE CD1 C 12.355 0.000 1 300 28 28 ILE CG1 C 27.788 0.000 1 301 28 28 ILE CG2 C 16.930 0.000 1 302 28 28 ILE N N 127.741 0.000 1 303 29 29 ASP H H 8.474 0.000 1 304 29 29 ASP HA H 4.533 0.001 1 305 29 29 ASP HB2 H 3.219 0.000 2 306 29 29 ASP HB3 H 3.133 0.000 2 307 29 29 ASP C C 174.705 0.000 1 308 29 29 ASP CA C 53.593 0.000 1 309 29 29 ASP CB C 39.675 0.000 1 310 29 29 ASP N N 119.361 0.000 1 311 30 30 ASP H H 8.157 0.000 1 312 30 30 ASP HA H 4.369 0.000 1 313 30 30 ASP HB2 H 2.701 0.000 2 314 30 30 ASP HB3 H 2.512 0.000 2 315 30 30 ASP C C 176.308 0.000 1 316 30 30 ASP CA C 56.432 0.000 1 317 30 30 ASP CB C 40.732 0.000 1 318 30 30 ASP N N 112.593 0.000 1 319 31 31 ASN H H 8.905 0.000 1 320 31 31 ASN HA H 4.793 0.003 1 321 31 31 ASN HB2 H 2.621 0.000 2 322 31 31 ASN HB3 H 2.190 0.005 2 323 31 31 ASN HD21 H 7.801 0.000 2 324 31 31 ASN HD22 H 6.926 0.000 2 325 31 31 ASN C C 173.733 0.000 1 326 31 31 ASN CA C 54.224 0.000 1 327 31 31 ASN CB C 42.686 0.000 1 328 31 31 ASN N N 114.825 0.000 1 329 31 31 ASN ND2 N 114.164 0.000 1 330 32 32 PHE H H 8.494 0.000 1 331 32 32 PHE HA H 5.282 0.006 1 332 32 32 PHE HB2 H 2.825 0.002 2 333 32 32 PHE HB3 H 2.613 0.006 2 334 32 32 PHE HD1 H 7.334 0.004 1 335 32 32 PHE HD2 H 7.334 0.004 1 336 32 32 PHE HE1 H 7.358 0.000 1 337 32 32 PHE HE2 H 7.358 0.000 1 338 32 32 PHE HZ H 7.353 0.000 1 339 32 32 PHE C C 174.867 0.000 1 340 32 32 PHE CA C 57.837 0.000 1 341 32 32 PHE CB C 42.699 0.000 1 342 32 32 PHE CD1 C 132.242 0.000 1 343 32 32 PHE CE1 C 131.114 0.000 1 344 32 32 PHE CZ C 129.987 0.000 1 345 32 32 PHE N N 117.799 0.000 1 346 33 33 VAL H H 8.708 0.003 1 347 33 33 VAL HA H 4.726 0.000 1 348 33 33 VAL HB H 2.499 0.004 1 349 33 33 VAL HG1 H 0.956 0.000 2 350 33 33 VAL HG2 H 0.707 0.003 2 351 33 33 VAL C C 173.021 0.000 1 352 33 33 VAL CA C 58.504 0.000 1 353 33 33 VAL CB C 34.547 0.000 1 354 33 33 VAL CG1 C 23.344 0.000 1 355 33 33 VAL CG2 C 19.159 0.000 1 356 33 33 VAL N N 110.984 0.000 1 357 34 34 LEU H H 8.713 0.005 1 358 34 34 LEU HA H 4.875 0.004 1 359 34 34 LEU HB2 H 1.754 0.004 2 360 34 34 LEU HB3 H 1.145 0.005 2 361 34 34 LEU HD1 H 0.818 0.003 2 362 34 34 LEU HD2 H 0.815 0.003 2 363 34 34 LEU HG H 1.252 0.004 1 364 34 34 LEU C C 176.357 0.000 1 365 34 34 LEU CA C 54.000 0.000 1 366 34 34 LEU CB C 44.800 0.000 1 367 34 34 LEU CD1 C 25.556 0.000 1 368 34 34 LEU CD2 C 23.085 0.000 1 369 34 34 LEU CG C 27.201 0.000 1 370 34 34 LEU N N 123.344 0.000 1 371 35 35 VAL H H 8.478 0.000 1 372 35 35 VAL HA H 5.682 0.002 1 373 35 35 VAL HB H 1.831 0.007 1 374 35 35 VAL HG1 H 0.860 0.004 2 375 35 35 VAL HG2 H 0.888 0.003 2 376 35 35 VAL C C 173.830 0.000 1 377 35 35 VAL CA C 57.695 0.000 1 378 35 35 VAL CB C 35.738 0.000 1 379 35 35 VAL CG1 C 18.497 0.000 1 380 35 35 VAL CG2 C 22.642 0.000 1 381 35 35 VAL N N 119.446 0.000 1 382 36 36 THR H H 8.385 0.001 1 383 36 36 THR HA H 4.549 0.000 1 384 36 36 THR HB H 3.921 0.000 1 385 36 36 THR HG2 H 0.962 0.006 1 386 36 36 THR C C 172.826 0.000 1 387 36 36 THR CA C 59.785 0.000 1 388 36 36 THR CB C 70.620 0.000 1 389 36 36 THR CG2 C 20.830 0.000 1 390 36 36 THR N N 109.285 0.000 1 391 37 37 GLY H H 7.595 0.000 1 392 37 37 GLY HA2 H 3.785 0.002 2 393 37 37 GLY HA3 H 3.949 0.008 2 394 37 37 GLY CA C 51.603 0.000 1 395 37 37 GLY N N 115.742 0.000 1 396 38 38 PRO HA H 5.259 0.001 1 397 38 38 PRO HB2 H 2.097 0.000 2 398 38 38 PRO HB3 H 2.394 0.000 2 399 38 38 PRO HD2 H 3.168 0.000 2 400 38 38 PRO HD3 H 3.409 0.000 2 401 38 38 PRO HG2 H 1.588 0.000 2 402 38 38 PRO HG3 H 1.798 0.000 2 403 38 38 PRO C C 179.386 0.000 1 404 38 38 PRO CA C 60.704 0.000 1 405 38 38 PRO CB C 35.734 0.000 1 406 38 38 PRO CD C 50.205 0.000 1 407 38 38 PRO CG C 26.231 0.000 1 408 39 39 LYS H H 9.534 0.000 1 409 39 39 LYS HA H 3.556 0.000 1 410 39 39 LYS HB2 H 1.805 0.000 2 411 39 39 LYS HB3 H 1.903 0.000 2 412 39 39 LYS HD2 H 1.689 0.000 2 413 39 39 LYS HD3 H 1.690 0.000 2 414 39 39 LYS HE2 H 2.999 0.000 2 415 39 39 LYS HE3 H 2.999 0.000 2 416 39 39 LYS HG2 H 1.272 0.000 2 417 39 39 LYS HG3 H 1.409 0.000 2 418 39 39 LYS C C 178.074 0.000 1 419 39 39 LYS CA C 60.665 0.000 1 420 39 39 LYS CB C 32.139 0.000 1 421 39 39 LYS CD C 29.433 0.000 1 422 39 39 LYS CE C 42.069 0.000 1 423 39 39 LYS CG C 23.973 0.000 1 424 39 39 LYS N N 128.351 0.000 1 425 40 40 ASP H H 9.083 0.000 1 426 40 40 ASP HA H 4.377 0.000 1 427 40 40 ASP HB2 H 2.580 0.000 2 428 40 40 ASP HB3 H 2.756 0.000 2 429 40 40 ASP C C 175.239 0.000 1 430 40 40 ASP CA C 55.269 0.000 1 431 40 40 ASP CB C 39.376 0.000 1 432 40 40 ASP N N 115.818 0.000 1 433 41 41 ILE H H 7.772 0.000 1 434 41 41 ILE HA H 4.226 0.000 1 435 41 41 ILE HB H 1.861 0.000 1 436 41 41 ILE HD1 H 0.765 0.007 1 437 41 41 ILE HG12 H 1.322 0.005 2 438 41 41 ILE HG13 H 1.270 0.000 2 439 41 41 ILE HG2 H 0.814 0.001 1 440 41 41 ILE C C 176.227 0.000 1 441 41 41 ILE CA C 61.833 0.000 1 442 41 41 ILE CB C 37.678 0.000 1 443 41 41 ILE CD1 C 10.821 0.000 1 444 41 41 ILE CG1 C 27.201 0.000 1 445 41 41 ILE CG2 C 18.074 0.000 1 446 41 41 ILE N N 116.782 0.000 1 447 42 42 THR H H 7.826 0.000 1 448 42 42 THR HA H 4.737 0.001 1 449 42 42 THR HB H 4.263 0.003 1 450 42 42 THR HG2 H 1.034 0.000 1 451 42 42 THR C C 175.531 0.000 1 452 42 42 THR CA C 60.338 0.000 1 453 42 42 THR CB C 71.918 0.000 1 454 42 42 THR CG2 C 23.455 0.000 1 455 42 42 THR N N 104.372 0.000 1 456 43 43 GLY H H 7.881 0.000 1 457 43 43 GLY HA2 H 4.477 0.000 2 458 43 43 GLY HA3 H 3.832 0.000 2 459 43 43 GLY C C 173.490 0.000 1 460 43 43 GLY CA C 45.046 0.000 1 461 43 43 GLY N N 109.226 0.000 1 462 44 44 VAL H H 7.324 0.002 1 463 44 44 VAL HA H 3.982 0.000 1 464 44 44 VAL HB H 1.488 0.002 1 465 44 44 VAL HG1 H 0.921 0.006 2 466 44 44 VAL HG2 H 0.807 0.000 2 467 44 44 VAL C C 175.499 0.000 1 468 44 44 VAL CA C 63.106 0.000 1 469 44 44 VAL CB C 31.919 0.000 1 470 44 44 VAL CG1 C 20.740 0.000 1 471 44 44 VAL CG2 C 22.288 0.000 1 472 44 44 VAL N N 121.191 0.000 1 473 45 45 LYS H H 8.374 0.000 1 474 45 45 LYS HA H 4.201 0.000 1 475 45 45 LYS HB2 H 1.688 0.000 2 476 45 45 LYS HB3 H 1.893 0.000 2 477 45 45 LYS HD2 H 1.700 0.000 2 478 45 45 LYS HD3 H 1.648 0.000 2 479 45 45 LYS HE2 H 3.008 0.000 2 480 45 45 LYS HE3 H 3.009 0.000 2 481 45 45 LYS HG2 H 1.611 0.000 2 482 45 45 LYS HG3 H 1.426 0.000 2 483 45 45 LYS C C 174.138 0.000 1 484 45 45 LYS CA C 56.637 0.000 1 485 45 45 LYS CB C 33.710 0.000 1 486 45 45 LYS CD C 28.780 0.000 1 487 45 45 LYS CE C 42.270 0.000 1 488 45 45 LYS CG C 26.054 0.000 1 489 45 45 LYS N N 128.615 0.000 1 490 46 46 ARG H H 8.141 0.000 1 491 46 46 ARG HA H 5.740 0.000 1 492 46 46 ARG HB2 H 1.934 0.000 2 493 46 46 ARG HB3 H 1.932 0.000 2 494 46 46 ARG HD2 H 3.231 0.000 2 495 46 46 ARG HD3 H 3.384 0.000 2 496 46 46 ARG HG2 H 1.460 0.000 2 497 46 46 ARG HG3 H 1.465 0.000 2 498 46 46 ARG C C 176.470 0.000 1 499 46 46 ARG CA C 55.143 0.000 1 500 46 46 ARG CB C 29.911 0.000 1 501 46 46 ARG CD C 43.406 0.000 1 502 46 46 ARG CG C 27.310 0.000 1 503 46 46 ARG N N 120.407 0.000 1 504 47 47 ARG H H 8.479 0.000 1 505 47 47 ARG HA H 4.755 0.000 1 506 47 47 ARG HB2 H 1.813 0.000 2 507 47 47 ARG HB3 H 1.906 0.003 2 508 47 47 ARG HD2 H 3.225 0.000 2 509 47 47 ARG HD3 H 3.145 0.000 2 510 47 47 ARG HG2 H 1.396 0.000 2 511 47 47 ARG HG3 H 1.632 0.000 2 512 47 47 ARG C C 174.689 0.000 1 513 47 47 ARG CA C 54.720 0.000 1 514 47 47 ARG CB C 33.946 0.000 1 515 47 47 ARG CD C 43.896 0.000 1 516 47 47 ARG CG C 25.875 0.000 1 517 47 47 ARG N N 126.997 0.000 1 518 48 48 ARG H H 8.590 0.000 1 519 48 48 ARG HA H 5.109 0.001 1 520 48 48 ARG HB2 H 1.657 0.000 2 521 48 48 ARG HB3 H 1.734 0.000 2 522 48 48 ARG HD2 H 2.873 0.000 2 523 48 48 ARG HD3 H 2.846 0.002 2 524 48 48 ARG HG2 H 1.580 0.000 2 525 48 48 ARG HG3 H 1.432 0.002 2 526 48 48 ARG C C 176.470 0.000 1 527 48 48 ARG CA C 55.731 0.000 1 528 48 48 ARG CB C 31.356 0.000 1 529 48 48 ARG CD C 43.592 0.000 1 530 48 48 ARG CG C 27.576 0.000 1 531 48 48 ARG N N 122.139 0.000 1 532 49 49 VAL H H 9.511 0.001 1 533 49 49 VAL HA H 4.682 0.000 1 534 49 49 VAL HB H 1.909 0.000 1 535 49 49 VAL HG1 H 1.047 0.004 2 536 49 49 VAL HG2 H 0.970 0.000 2 537 49 49 VAL C C 173.604 0.000 1 538 49 49 VAL CA C 60.217 0.000 1 539 49 49 VAL CB C 36.723 0.000 1 540 49 49 VAL CG1 C 22.214 0.000 1 541 49 49 VAL CG2 C 23.040 0.000 1 542 49 49 VAL N N 123.046 0.000 1 543 50 50 ASN H H 8.608 0.000 1 544 50 50 ASN HA H 4.176 0.002 1 545 50 50 ASN HB2 H 1.707 0.007 2 546 50 50 ASN HB3 H 2.178 0.000 2 547 50 50 ASN HD21 H 6.653 0.001 2 548 50 50 ASN HD22 H 6.888 0.000 2 549 50 50 ASN C C 177.151 0.000 1 550 50 50 ASN CA C 52.970 0.000 1 551 50 50 ASN CB C 38.322 0.000 1 552 50 50 ASN N N 126.157 0.000 1 553 50 50 ASN ND2 N 112.368 0.000 1 554 51 51 ILE H H 8.632 0.000 1 555 51 51 ILE HA H 3.629 0.001 1 556 51 51 ILE HB H 1.707 0.001 1 557 51 51 ILE HD1 H 0.881 0.000 1 558 51 51 ILE HG12 H 1.416 0.000 2 559 51 51 ILE HG13 H 1.154 0.002 2 560 51 51 ILE HG2 H 0.936 0.003 1 561 51 51 ILE C C 177.086 0.000 1 562 51 51 ILE CA C 65.219 0.000 1 563 51 51 ILE CB C 38.708 0.000 1 564 51 51 ILE CD1 C 14.069 0.000 1 565 51 51 ILE CG1 C 28.537 0.000 1 566 51 51 ILE CG2 C 18.788 0.000 1 567 51 51 ILE N N 126.956 0.000 1 568 52 52 LEU H H 8.485 0.000 1 569 52 52 LEU HA H 4.278 0.000 1 570 52 52 LEU HB2 H 1.499 0.000 2 571 52 52 LEU HB3 H 1.406 0.000 2 572 52 52 LEU HD1 H 0.915 0.000 2 573 52 52 LEU HD2 H 0.906 0.000 2 574 52 52 LEU HG H 1.663 0.000 1 575 52 52 LEU C C 178.430 0.000 1 576 52 52 LEU CA C 56.126 0.000 1 577 52 52 LEU CB C 41.154 0.000 1 578 52 52 LEU CD1 C 25.105 0.000 1 579 52 52 LEU CD2 C 22.613 0.000 1 580 52 52 LEU CG C 27.091 0.000 1 581 52 52 LEU N N 118.365 0.000 1 582 53 53 HIS H H 8.384 0.000 1 583 53 53 HIS HA H 4.628 0.002 1 584 53 53 HIS HB2 H 3.292 0.004 2 585 53 53 HIS HB3 H 3.408 0.004 2 586 53 53 HIS HD2 H 6.532 0.000 1 587 53 53 HIS HE1 H 8.080 0.000 1 588 53 53 HIS C C 174.170 0.000 1 589 53 53 HIS CA C 54.225 0.000 1 590 53 53 HIS CB C 30.756 0.000 1 591 53 53 HIS CD2 C 115.869 0.000 1 592 53 53 HIS N N 117.625 0.000 1 593 54 54 LEU H H 7.692 0.000 1 594 54 54 LEU HA H 5.233 0.003 1 595 54 54 LEU HB2 H 1.932 0.000 2 596 54 54 LEU HB3 H 1.033 0.004 2 597 54 54 LEU HD1 H 0.723 0.004 2 598 54 54 LEU HD2 H 0.693 0.002 2 599 54 54 LEU HG H 1.581 0.000 1 600 54 54 LEU C C 175.580 0.000 1 601 54 54 LEU CA C 53.147 0.000 1 602 54 54 LEU CB C 46.198 0.000 1 603 54 54 LEU CD1 C 26.488 0.000 1 604 54 54 LEU CD2 C 23.595 0.000 1 605 54 54 LEU CG C 26.182 0.000 1 606 54 54 LEU N N 119.437 0.000 1 607 55 55 GLU H H 9.107 0.001 1 608 55 55 GLU HA H 5.085 0.003 1 609 55 55 GLU HB2 H 1.983 0.000 2 610 55 55 GLU HB3 H 1.874 0.004 2 611 55 55 GLU HG2 H 2.163 0.009 2 612 55 55 GLU HG3 H 2.205 0.000 2 613 55 55 GLU CA C 52.512 0.000 1 614 55 55 GLU CB C 32.582 0.000 1 615 55 55 GLU CG C 36.226 0.000 1 616 55 55 GLU N N 120.652 0.000 1 617 56 56 PRO HA H 4.892 0.002 1 618 56 56 PRO HB2 H 1.933 0.000 2 619 56 56 PRO HB3 H 1.952 0.000 2 620 56 56 PRO HD2 H 3.957 0.005 2 621 56 56 PRO HD3 H 3.654 0.005 2 622 56 56 PRO HG2 H 2.212 0.000 2 623 56 56 PRO HG3 H 1.929 0.003 2 624 56 56 PRO C C 176.065 0.000 1 625 56 56 PRO CA C 63.300 0.000 1 626 56 56 PRO CB C 32.645 0.000 1 627 56 56 PRO CD C 51.116 0.000 1 628 56 56 PRO CG C 27.517 0.000 1 629 57 57 THR H H 8.540 0.002 1 630 57 57 THR HA H 4.937 0.000 1 631 57 57 THR HB H 4.602 0.000 1 632 57 57 THR HG2 H 1.362 0.000 1 633 57 57 THR C C 173.928 0.000 1 634 57 57 THR CA C 60.643 0.000 1 635 57 57 THR CB C 72.087 0.000 1 636 57 57 THR CG2 C 20.895 0.000 1 637 57 57 THR N N 113.127 0.000 1 638 58 58 ASP H H 8.629 0.000 1 639 58 58 ASP HA H 4.420 0.000 1 640 58 58 ASP HB2 H 2.691 0.000 2 641 58 58 ASP HB3 H 2.951 0.000 2 642 58 58 ASP C C 175.288 0.000 1 643 58 58 ASP CA C 54.025 0.000 1 644 58 58 ASP CB C 39.848 0.000 1 645 58 58 ASP N N 115.600 0.000 1 646 59 59 LYS H H 8.569 0.000 1 647 59 59 LYS HA H 4.652 0.000 1 648 59 59 LYS HB2 H 1.439 0.000 2 649 59 59 LYS HB3 H 1.813 0.004 2 650 59 59 LYS HD2 H 1.109 0.000 2 651 59 59 LYS HD3 H 1.283 0.000 2 652 59 59 LYS HE2 H 2.341 0.002 2 653 59 59 LYS HE3 H 2.394 0.012 2 654 59 59 LYS HG2 H 0.860 0.000 2 655 59 59 LYS HG3 H 1.253 0.000 2 656 59 59 LYS C C 174.462 0.000 1 657 59 59 LYS CA C 54.522 0.000 1 658 59 59 LYS CB C 34.898 0.000 1 659 59 59 LYS CD C 28.392 0.000 1 660 59 59 LYS CE C 42.105 0.000 1 661 59 59 LYS CG C 24.338 0.000 1 662 59 59 LYS N N 119.877 0.000 1 663 60 60 LYS H H 8.228 0.000 1 664 60 60 LYS HA H 5.007 0.000 1 665 60 60 LYS HB2 H 1.555 0.003 2 666 60 60 LYS HB3 H 1.567 0.000 2 667 60 60 LYS HD2 H 1.522 0.000 2 668 60 60 LYS HD3 H 1.436 0.000 2 669 60 60 LYS HE2 H 2.865 0.000 2 670 60 60 LYS HE3 H 2.940 0.000 2 671 60 60 LYS HG2 H 1.029 0.001 2 672 60 60 LYS HG3 H 1.249 0.000 2 673 60 60 LYS C C 174.770 0.000 1 674 60 60 LYS CA C 54.670 0.000 1 675 60 60 LYS CB C 36.536 0.000 1 676 60 60 LYS CD C 29.695 0.000 1 677 60 60 LYS CE C 42.075 0.000 1 678 60 60 LYS CG C 24.037 0.000 1 679 60 60 LYS N N 121.307 0.000 1 680 61 61 ILE H H 8.572 0.000 1 681 61 61 ILE HA H 4.755 0.000 1 682 61 61 ILE HB H 1.671 0.000 1 683 61 61 ILE HD1 H 0.854 0.000 1 684 61 61 ILE HG12 H 1.438 0.001 2 685 61 61 ILE HG13 H 1.237 0.004 2 686 61 61 ILE HG2 H 0.825 0.002 1 687 61 61 ILE C C 174.608 0.000 1 688 61 61 ILE CA C 59.054 0.000 1 689 61 61 ILE CB C 41.629 0.000 1 690 61 61 ILE CD1 C 15.587 0.000 1 691 61 61 ILE CG1 C 24.741 0.000 1 692 61 61 ILE CG2 C 18.593 0.000 1 693 61 61 ILE N N 116.518 0.000 1 694 62 62 ASP H H 8.553 0.000 1 695 62 62 ASP HA H 4.732 0.000 1 696 62 62 ASP HB2 H 2.509 0.000 2 697 62 62 ASP HB3 H 2.699 0.007 2 698 62 62 ASP C C 174.867 0.000 1 699 62 62 ASP CA C 53.425 0.000 1 700 62 62 ASP CB C 40.049 0.000 1 701 62 62 ASP N N 121.962 0.000 1 702 63 63 ILE H H 7.410 0.000 1 703 63 63 ILE HA H 4.663 0.000 1 704 63 63 ILE HB H 1.935 0.002 1 705 63 63 ILE HD1 H 0.853 0.003 1 706 63 63 ILE HG12 H 1.308 0.001 2 707 63 63 ILE HG13 H 0.762 0.000 2 708 63 63 ILE HG2 H 0.796 0.000 1 709 63 63 ILE C C 174.818 0.000 1 710 63 63 ILE CA C 58.459 0.000 1 711 63 63 ILE CB C 42.039 0.000 1 712 63 63 ILE CD1 C 14.951 0.000 1 713 63 63 ILE CG1 C 24.798 0.000 1 714 63 63 ILE CG2 C 19.241 0.000 1 715 63 63 ILE N N 114.715 0.000 1 716 64 64 GLN H H 8.598 0.002 1 717 64 64 GLN HA H 4.407 0.000 1 718 64 64 GLN HB2 H 2.039 0.000 2 719 64 64 GLN HB3 H 2.093 0.000 2 720 64 64 GLN HE21 H 7.975 0.000 2 721 64 64 GLN HE22 H 6.878 0.000 2 722 64 64 GLN HG2 H 2.368 0.004 2 723 64 64 GLN HG3 H 2.487 0.001 2 724 64 64 GLN C C 175.304 0.000 1 725 64 64 GLN CA C 54.082 0.017 1 726 64 64 GLN CB C 30.347 0.000 1 727 64 64 GLN CG C 33.720 0.000 1 728 64 64 GLN N N 119.359 0.000 1 729 64 64 GLN NE2 N 113.908 0.000 1 730 65 65 LYS H H 8.370 0.002 1 731 65 65 LYS HA H 4.139 0.001 1 732 65 65 LYS HB2 H 1.926 0.002 2 733 65 65 LYS HB3 H 1.805 0.003 2 734 65 65 LYS HD2 H 1.613 0.000 2 735 65 65 LYS HD3 H 1.753 0.000 2 736 65 65 LYS HE2 H 3.086 0.001 2 737 65 65 LYS HE3 H 3.086 0.000 2 738 65 65 LYS HG2 H 1.563 0.000 2 739 65 65 LYS HG3 H 1.426 0.000 2 740 65 65 LYS C C 178.317 0.000 1 741 65 65 LYS CA C 57.867 0.000 1 742 65 65 LYS CB C 32.506 0.000 1 743 65 65 LYS CD C 30.087 0.000 1 744 65 65 LYS CE C 42.818 0.000 1 745 65 65 LYS CG C 24.671 0.000 1 746 65 65 LYS N N 119.999 0.000 1 747 66 66 GLY H H 9.372 0.001 1 748 66 66 GLY HA2 H 4.103 0.000 2 749 66 66 GLY HA3 H 3.315 0.000 2 750 66 66 GLY C C 173.847 0.000 1 751 66 66 GLY CA C 45.197 0.000 1 752 66 66 GLY N N 112.771 0.000 1 753 67 67 ALA H H 7.581 0.006 1 754 67 67 ALA HA H 4.079 0.000 1 755 67 67 ALA HB H 1.506 0.002 1 756 67 67 ALA C C 177.377 0.000 1 757 67 67 ALA CA C 52.998 0.000 1 758 67 67 ALA CB C 20.597 0.000 1 759 67 67 ALA N N 121.771 0.000 1 760 68 68 SER H H 8.981 0.000 1 761 68 68 SER HA H 4.282 0.000 1 762 68 68 SER HB2 H 4.478 0.006 2 763 68 68 SER HB3 H 4.185 0.001 2 764 68 68 SER C C 174.154 0.000 1 765 68 68 SER CA C 57.510 0.000 1 766 68 68 SER CB C 65.373 0.000 1 767 68 68 SER N N 119.801 0.000 1 768 69 69 ASP H H 9.429 0.000 1 769 69 69 ASP HA H 4.195 0.005 1 770 69 69 ASP HB2 H 2.852 0.000 2 771 69 69 ASP HB3 H 2.675 0.000 2 772 69 69 ASP C C 178.414 0.000 1 773 69 69 ASP CA C 58.041 0.000 1 774 69 69 ASP CB C 39.618 0.000 1 775 69 69 ASP N N 122.524 0.000 1 776 70 70 GLU H H 8.468 0.000 1 777 70 70 GLU HA H 3.966 0.002 1 778 70 70 GLU HB2 H 2.004 0.000 2 779 70 70 GLU HB3 H 2.104 0.000 2 780 70 70 GLU HG2 H 2.343 0.000 2 781 70 70 GLU HG3 H 2.410 0.000 2 782 70 70 GLU C C 178.965 0.000 1 783 70 70 GLU CA C 60.273 0.000 1 784 70 70 GLU CB C 29.133 0.000 1 785 70 70 GLU CG C 36.588 0.000 1 786 70 70 GLU N N 118.755 0.000 1 787 71 71 GLU H H 7.868 0.000 1 788 71 71 GLU HA H 4.057 0.003 1 789 71 71 GLU HB2 H 2.290 0.000 2 790 71 71 GLU HB3 H 2.109 0.005 2 791 71 71 GLU HG2 H 2.269 0.002 2 792 71 71 GLU HG3 H 2.363 0.009 2 793 71 71 GLU C C 179.094 0.000 1 794 71 71 GLU CA C 59.253 0.000 1 795 71 71 GLU CB C 29.344 0.000 1 796 71 71 GLU CG C 36.697 0.000 1 797 71 71 GLU N N 122.391 0.000 1 798 72 72 VAL H H 8.428 0.000 1 799 72 72 VAL HA H 3.306 0.000 1 800 72 72 VAL HB H 2.151 0.001 1 801 72 72 VAL HG1 H 0.907 0.005 2 802 72 72 VAL HG2 H 0.755 0.000 2 803 72 72 VAL C C 177.555 0.000 1 804 72 72 VAL CA C 67.287 0.000 1 805 72 72 VAL CB C 31.495 0.000 1 806 72 72 VAL CG1 C 23.773 0.000 1 807 72 72 VAL CG2 C 22.765 0.000 1 808 72 72 VAL N N 119.128 0.000 1 809 73 73 LYS H H 8.671 0.000 1 810 73 73 LYS HA H 3.748 0.002 1 811 73 73 LYS HB2 H 1.946 0.001 2 812 73 73 LYS HB3 H 1.942 0.002 2 813 73 73 LYS HD2 H 1.786 0.002 2 814 73 73 LYS HD3 H 1.787 0.000 2 815 73 73 LYS HE2 H 2.882 0.003 2 816 73 73 LYS HE3 H 2.883 0.000 2 817 73 73 LYS HG2 H 1.634 0.000 2 818 73 73 LYS HG3 H 1.340 0.000 2 819 73 73 LYS C C 178.835 0.000 1 820 73 73 LYS CA C 60.878 0.000 1 821 73 73 LYS CB C 32.561 0.018 1 822 73 73 LYS CD C 29.731 0.000 1 823 73 73 LYS CE C 41.700 0.000 1 824 73 73 LYS CG C 26.314 0.000 1 825 73 73 LYS N N 118.527 0.000 1 826 74 74 LYS H H 7.923 0.000 1 827 74 74 LYS HA H 4.151 0.004 1 828 74 74 LYS HB2 H 1.944 0.000 2 829 74 74 LYS HB3 H 1.998 0.004 2 830 74 74 LYS HD2 H 1.734 0.001 2 831 74 74 LYS HD3 H 1.733 0.000 2 832 74 74 LYS HE2 H 3.012 0.000 2 833 74 74 LYS HE3 H 3.015 0.000 2 834 74 74 LYS HG2 H 1.591 0.000 2 835 74 74 LYS HG3 H 1.440 0.000 2 836 74 74 LYS C C 174.656 0.000 1 837 74 74 LYS CA C 59.227 0.000 1 838 74 74 LYS CB C 32.384 0.000 1 839 74 74 LYS CD C 29.216 0.000 1 840 74 74 LYS CE C 42.053 0.000 1 841 74 74 LYS CG C 24.715 0.000 1 842 74 74 LYS N N 119.181 0.000 1 843 75 75 LYS H H 8.141 0.000 1 844 75 75 LYS HA H 4.240 0.000 1 845 75 75 LYS HB2 H 1.970 0.003 2 846 75 75 LYS HB3 H 1.738 0.004 2 847 75 75 LYS HD2 H 1.425 0.000 2 848 75 75 LYS HD3 H 1.426 0.000 2 849 75 75 LYS HE2 H 2.867 0.000 2 850 75 75 LYS HE3 H 2.873 0.000 2 851 75 75 LYS HG2 H 1.597 0.000 2 852 75 75 LYS HG3 H 1.597 0.000 2 853 75 75 LYS C C 180.698 0.000 1 854 75 75 LYS CA C 57.370 0.000 1 855 75 75 LYS CB C 31.435 0.000 1 856 75 75 LYS CD C 28.780 0.000 1 857 75 75 LYS CE C 41.780 0.000 1 858 75 75 LYS CG C 24.709 0.000 1 859 75 75 LYS N N 118.734 0.000 1 860 76 76 LEU H H 8.834 0.002 1 861 76 76 LEU HA H 3.936 0.008 1 862 76 76 LEU HB2 H 2.172 0.002 2 863 76 76 LEU HB3 H 1.064 0.002 2 864 76 76 LEU HD1 H 0.856 0.000 2 865 76 76 LEU HD2 H 0.825 0.007 2 866 76 76 LEU HG H 1.966 0.002 1 867 76 76 LEU C C 178.803 0.000 1 868 76 76 LEU CA C 58.434 0.000 1 869 76 76 LEU CB C 42.223 0.000 1 870 76 76 LEU CD1 C 23.718 0.000 1 871 76 76 LEU CD2 C 27.546 0.000 1 872 76 76 LEU CG C 26.319 0.000 1 873 76 76 LEU N N 121.554 0.000 1 874 77 77 GLU H H 7.950 0.000 1 875 77 77 GLU HA H 4.251 0.002 1 876 77 77 GLU HB2 H 2.180 0.003 2 877 77 77 GLU HB3 H 2.272 0.001 2 878 77 77 GLU HG2 H 2.408 0.000 2 879 77 77 GLU HG3 H 2.308 0.000 2 880 77 77 GLU C C 181.021 0.000 1 881 77 77 GLU CA C 59.149 0.000 1 882 77 77 GLU CB C 29.315 0.000 1 883 77 77 GLU CG C 35.980 0.000 1 884 77 77 GLU N N 119.631 0.000 1 885 78 78 GLU H H 8.610 0.000 1 886 78 78 GLU HA H 4.105 0.000 1 887 78 78 GLU HB2 H 2.198 0.000 2 888 78 78 GLU HB3 H 2.194 0.000 2 889 78 78 GLU HG2 H 2.348 0.000 2 890 78 78 GLU HG3 H 2.582 0.000 2 891 78 78 GLU C C 178.268 0.000 1 892 78 78 GLU CA C 59.190 0.000 1 893 78 78 GLU CB C 30.187 0.000 1 894 78 78 GLU CG C 36.635 0.000 1 895 78 78 GLU N N 121.211 0.000 1 896 79 79 SER H H 7.545 0.000 1 897 79 79 SER HA H 4.596 0.000 1 898 79 79 SER HB2 H 3.803 0.004 2 899 79 79 SER HB3 H 4.132 0.003 2 900 79 79 SER C C 172.891 0.000 1 901 79 79 SER CA C 58.593 0.000 1 902 79 79 SER CB C 64.050 0.000 1 903 79 79 SER N N 111.066 0.000 1 904 80 80 ASN H H 8.170 0.003 1 905 80 80 ASN HA H 4.728 0.015 1 906 80 80 ASN HB2 H 2.834 0.000 2 907 80 80 ASN HB3 H 3.208 0.003 2 908 80 80 ASN HD21 H 7.568 0.003 2 909 80 80 ASN HD22 H 6.884 0.000 2 910 80 80 ASN C C 176.130 0.000 1 911 80 80 ASN CA C 54.290 0.000 1 912 80 80 ASN CB C 36.981 0.000 1 913 80 80 ASN N N 117.297 0.000 1 914 80 80 ASN ND2 N 112.368 0.000 1 915 81 81 LEU H H 8.582 0.003 1 916 81 81 LEU HA H 4.782 0.000 1 917 81 81 LEU HB2 H 1.672 0.006 2 918 81 81 LEU HB3 H 1.539 0.005 2 919 81 81 LEU HD1 H 0.605 0.005 2 920 81 81 LEU HD2 H 0.719 0.005 2 921 81 81 LEU HG H 1.531 0.000 1 922 81 81 LEU C C 176.989 0.000 1 923 81 81 LEU CA C 54.201 0.000 1 924 81 81 LEU CB C 45.284 0.000 1 925 81 81 LEU CD1 C 22.567 0.000 1 926 81 81 LEU CD2 C 25.881 0.000 1 927 81 81 LEU CG C 26.042 0.000 1 928 81 81 LEU N N 115.114 0.000 1 929 82 82 THR H H 7.895 0.000 1 930 82 82 THR HA H 4.126 0.000 1 931 82 82 THR HB H 3.444 0.004 1 932 82 82 THR HG2 H 1.192 0.003 1 933 82 82 THR C C 175.499 0.000 1 934 82 82 THR CA C 67.800 0.000 1 935 82 82 THR CB C 68.585 0.000 1 936 82 82 THR CG2 C 22.766 0.000 1 937 82 82 THR N N 118.410 0.000 1 938 83 83 GLU H H 8.385 0.000 1 939 83 83 GLU HA H 3.904 0.000 1 940 83 83 GLU HB2 H 2.054 0.000 2 941 83 83 GLU HB3 H 2.056 0.000 2 942 83 83 GLU HG2 H 2.333 0.000 2 943 83 83 GLU HG3 H 2.332 0.000 2 944 83 83 GLU C C 179.742 0.000 1 945 83 83 GLU CA C 59.903 0.000 1 946 83 83 GLU CB C 28.238 0.000 1 947 83 83 GLU CG C 36.644 0.000 1 948 83 83 GLU N N 118.292 0.000 1 949 84 84 TYR H H 8.101 0.000 1 950 84 84 TYR HA H 4.145 0.000 1 951 84 84 TYR HB2 H 3.315 0.004 2 952 84 84 TYR HB3 H 3.041 0.002 2 953 84 84 TYR HD1 H 7.074 0.003 1 954 84 84 TYR HD2 H 7.074 0.003 1 955 84 84 TYR HE1 H 6.831 0.000 1 956 84 84 TYR HE2 H 6.831 0.000 1 957 84 84 TYR C C 178.997 0.000 1 958 84 84 TYR CA C 60.985 0.000 1 959 84 84 TYR CB C 37.981 0.000 1 960 84 84 TYR CD1 C 133.454 0.000 1 961 84 84 TYR CE1 C 118.562 0.000 1 962 84 84 TYR N N 122.098 0.000 1 963 85 85 MET H H 8.126 0.000 1 964 85 85 MET HA H 4.266 0.000 1 965 85 85 MET HB2 H 1.759 0.000 2 966 85 85 MET HB3 H 2.323 0.000 2 967 85 85 MET HE H 2.015 0.001 1 968 85 85 MET HG2 H 2.492 0.000 2 969 85 85 MET HG3 H 3.082 0.003 2 970 85 85 MET C C 176.308 0.000 1 971 85 85 MET CA C 55.446 0.000 1 972 85 85 MET CB C 29.853 0.000 1 973 85 85 MET CE C 17.500 0.000 1 974 85 85 MET CG C 33.603 0.000 1 975 85 85 MET N N 117.059 0.000 1 976 86 86 LYS H H 7.317 0.000 1 977 86 86 LYS HA H 3.940 0.000 1 978 86 86 LYS HB2 H 2.009 0.000 2 979 86 86 LYS HB3 H 1.791 0.001 2 980 86 86 LYS HD2 H 1.688 0.001 2 981 86 86 LYS HD3 H 1.690 0.000 2 982 86 86 LYS HE2 H 3.000 0.000 2 983 86 86 LYS HE3 H 3.003 0.000 2 984 86 86 LYS HG2 H 1.471 0.002 2 985 86 86 LYS HG3 H 1.683 0.000 2 986 86 86 LYS C C 176.584 0.000 1 987 86 86 LYS CA C 57.504 0.000 1 988 86 86 LYS CB C 33.219 0.000 1 989 86 86 LYS CD C 29.727 0.000 1 990 86 86 LYS CE C 41.780 0.000 1 991 86 86 LYS CG C 25.923 0.000 1 992 86 86 LYS N N 115.087 0.000 1 993 87 87 GLU H H 7.049 0.000 1 994 87 87 GLU HA H 4.188 0.000 1 995 87 87 GLU HB2 H 1.783 0.000 2 996 87 87 GLU HB3 H 1.798 0.000 2 997 87 87 GLU HG2 H 2.356 0.003 2 998 87 87 GLU HG3 H 2.107 0.000 2 999 87 87 GLU C C 175.952 0.000 1 1000 87 87 GLU CA C 56.032 0.000 1 1001 87 87 GLU CB C 29.880 0.000 1 1002 87 87 GLU CG C 35.811 0.000 1 1003 87 87 GLU N N 119.689 0.000 1 1004 88 88 LYS H H 8.538 0.000 1 1005 88 88 LYS HA H 4.589 0.000 1 1006 88 88 LYS HB2 H 1.686 0.000 2 1007 88 88 LYS HB3 H 1.685 0.000 2 1008 88 88 LYS HD2 H 1.651 0.000 2 1009 88 88 LYS HD3 H 1.651 0.000 2 1010 88 88 LYS HE2 H 3.020 0.000 2 1011 88 88 LYS HE3 H 3.020 0.000 2 1012 88 88 LYS HG2 H 1.410 0.000 2 1013 88 88 LYS HG3 H 1.476 0.000 2 1014 88 88 LYS C C 176.794 0.000 1 1015 88 88 LYS CA C 55.492 0.000 1 1016 88 88 LYS CB C 33.733 0.000 1 1017 88 88 LYS CD C 29.023 0.000 1 1018 88 88 LYS CE C 41.780 0.000 1 1019 88 88 LYS CG C 25.232 0.000 1 1020 88 88 LYS N N 127.877 0.000 1 1021 89 89 ILE H H 8.837 0.000 1 1022 89 89 ILE HA H 4.265 0.000 1 1023 89 89 ILE HB H 1.849 0.001 1 1024 89 89 ILE HD1 H 0.773 0.000 1 1025 89 89 ILE HG12 H 1.385 0.000 2 1026 89 89 ILE HG13 H 1.240 0.000 2 1027 89 89 ILE HG2 H 0.884 0.000 1 1028 89 89 ILE C C 175.644 0.000 1 1029 89 89 ILE CA C 59.237 0.000 1 1030 89 89 ILE CB C 38.574 0.000 1 1031 89 89 ILE CD1 C 11.732 0.000 1 1032 89 89 ILE CG1 C 27.340 0.000 1 1033 89 89 ILE CG2 C 17.360 0.000 1 1034 89 89 ILE N N 123.506 0.000 1 1035 90 90 LYS H H 8.434 0.000 1 1036 90 90 LYS HA H 4.299 0.000 1 1037 90 90 LYS HB2 H 1.778 0.000 2 1038 90 90 LYS HB3 H 1.779 0.000 2 1039 90 90 LYS HD2 H 1.696 0.000 2 1040 90 90 LYS HD3 H 1.695 0.000 2 1041 90 90 LYS HE2 H 2.999 0.000 2 1042 90 90 LYS HE3 H 3.005 0.000 2 1043 90 90 LYS HG2 H 1.447 0.000 2 1044 90 90 LYS HG3 H 1.366 0.000 2 1045 90 90 LYS C C 175.936 0.000 1 1046 90 90 LYS CA C 56.012 0.000 1 1047 90 90 LYS CB C 32.148 0.000 1 1048 90 90 LYS CD C 29.017 0.000 1 1049 90 90 LYS CE C 42.005 0.000 1 1050 90 90 LYS CG C 24.840 0.000 1 1051 90 90 LYS N N 126.249 0.000 1 1052 91 91 ILE H H 8.204 0.000 1 1053 91 91 ILE HA H 4.166 0.000 1 1054 91 91 ILE HB H 1.859 0.001 1 1055 91 91 ILE HD1 H 0.797 0.000 1 1056 91 91 ILE HG12 H 1.336 0.000 2 1057 91 91 ILE HG13 H 1.320 0.000 2 1058 91 91 ILE HG2 H 0.894 0.000 1 1059 91 91 ILE C C 175.920 0.000 1 1060 91 91 ILE CA C 59.834 0.000 1 1061 91 91 ILE CB C 38.121 0.000 1 1062 91 91 ILE CD1 C 11.971 0.000 1 1063 91 91 ILE CG1 C 27.045 0.000 1 1064 91 91 ILE CG2 C 17.445 0.000 1 1065 91 91 ILE N N 125.179 0.000 1 1066 92 92 ARG H H 8.528 0.000 1 1067 92 92 ARG HA H 4.344 0.000 1 1068 92 92 ARG HB2 H 1.764 0.000 2 1069 92 92 ARG HB3 H 1.836 0.000 2 1070 92 92 ARG HD2 H 3.211 0.000 2 1071 92 92 ARG HD3 H 3.211 0.000 2 1072 92 92 ARG HG2 H 1.639 0.000 2 1073 92 92 ARG HG3 H 1.584 0.000 2 1074 92 92 ARG C C 175.742 0.000 1 1075 92 92 ARG CA C 55.784 0.000 1 1076 92 92 ARG CB C 30.616 0.000 1 1077 92 92 ARG CD C 43.346 0.000 1 1078 92 92 ARG CG C 27.310 0.000 1 1079 92 92 ARG N N 126.147 0.000 1 1080 93 93 MET H H 8.453 0.000 1 1081 93 93 MET HA H 4.822 0.000 1 1082 93 93 MET HB2 H 2.109 0.000 2 1083 93 93 MET HB3 H 1.974 0.000 2 1084 93 93 MET HG2 H 2.685 0.000 2 1085 93 93 MET HG3 H 2.571 0.000 2 1086 93 93 MET CA C 53.181 0.000 1 1087 93 93 MET CB C 32.300 0.000 1 1088 93 93 MET CG C 32.070 0.000 1 1089 93 93 MET N N 123.756 0.000 1 1090 94 94 PRO HA H 4.503 0.000 1 1091 94 94 PRO HB2 H 2.326 0.000 2 1092 94 94 PRO HB3 H 1.942 0.000 2 1093 94 94 PRO HD2 H 3.847 0.000 2 1094 94 94 PRO HD3 H 3.728 0.000 2 1095 94 94 PRO HG2 H 2.049 0.000 2 1096 94 94 PRO HG3 H 2.050 0.000 2 1097 94 94 PRO C C 176.989 0.000 1 1098 94 94 PRO CA C 63.098 0.000 1 1099 94 94 PRO CB C 32.076 0.000 1 1100 94 94 PRO CD C 50.682 0.000 1 1101 94 94 PRO CG C 27.336 0.000 1 1102 95 95 THR H H 8.272 0.000 1 1103 95 95 THR HA H 4.331 0.000 1 1104 95 95 THR HB H 4.218 0.000 1 1105 95 95 THR HG2 H 1.240 0.000 1 1106 95 95 THR C C 174.656 0.000 1 1107 95 95 THR CA C 61.699 0.000 1 1108 95 95 THR CB C 69.656 0.000 1 1109 95 95 THR CG2 C 21.723 0.000 1 1110 95 95 THR N N 114.835 0.000 1 1111 96 96 LEU H H 8.342 0.000 1 1112 96 96 LEU HA H 4.421 0.000 1 1113 96 96 LEU HB2 H 1.713 0.000 2 1114 96 96 LEU HB3 H 1.650 0.000 2 1115 96 96 LEU HD1 H 0.961 0.000 2 1116 96 96 LEU HD2 H 0.932 0.006 2 1117 96 96 LEU HG H 1.623 0.000 1 1118 96 96 LEU CA C 55.290 0.000 1 1119 96 96 LEU CB C 42.304 0.000 1 1120 96 96 LEU CD1 C 24.730 0.000 1 1121 96 96 LEU CD2 C 23.366 0.000 1 1122 96 96 LEU CG C 26.770 0.000 1 1123 96 96 LEU N N 125.057 0.000 1 stop_ save_