data_7014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assigment of the SARS-CoV protein nsp1 ; _BMRB_accession_number 7014 _BMRB_flat_file_name bmr7014.str _Entry_type original _Submission_date 2006-03-06 _Accession_date 2006-03-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'protein in 25 mM sodium phosphate pH 7.0, 250 mM NaCl, 10% D2O.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Almeida Marcius S. . 2 Geralt Michael . . 3 Johnson Margaret A. . 4 Saikatendu Kumar . . 5 Joseph Jeremiah . . 6 Subramanian Vanitha . . 7 Stevens Raymond C. . 8 Kuhn Peter . . 9 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 669 "13C chemical shifts" 503 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-08-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the SARS-CoV protein nsp1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16821128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Almeida Marcius S. . 2 Johnson Margaret A. . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 46 _Page_last 46 _Year 2006 _Details 'Letter to the Editor.' loop_ _Keyword NMR nsp SARS-CoV stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name nsp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nsp1 $SARS-CoV_nsp1 stop_ _System_molecular_weight 12663.5 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SARS-CoV_nsp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'leader protein from SARS-CoV' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GHVQLSLPVLQVRDVLVRGF GDSVEEALSEAREHLKNGTC GLVELEKGVLPQLEQPYVFI KRSDALSTNHGHKVVELVAE MDGIQYGRSGITLGVLVPHV GETPIAYRNVLLRKNG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 VAL 4 GLN 5 LEU 6 SER 7 LEU 8 PRO 9 VAL 10 LEU 11 GLN 12 VAL 13 ARG 14 ASP 15 VAL 16 LEU 17 VAL 18 ARG 19 GLY 20 PHE 21 GLY 22 ASP 23 SER 24 VAL 25 GLU 26 GLU 27 ALA 28 LEU 29 SER 30 GLU 31 ALA 32 ARG 33 GLU 34 HIS 35 LEU 36 LYS 37 ASN 38 GLY 39 THR 40 CYS 41 GLY 42 LEU 43 VAL 44 GLU 45 LEU 46 GLU 47 LYS 48 GLY 49 VAL 50 LEU 51 PRO 52 GLN 53 LEU 54 GLU 55 GLN 56 PRO 57 TYR 58 VAL 59 PHE 60 ILE 61 LYS 62 ARG 63 SER 64 ASP 65 ALA 66 LEU 67 SER 68 THR 69 ASN 70 HIS 71 GLY 72 HIS 73 LYS 74 VAL 75 VAL 76 GLU 77 LEU 78 VAL 79 ALA 80 GLU 81 MET 82 ASP 83 GLY 84 ILE 85 GLN 86 TYR 87 GLY 88 ARG 89 SER 90 GLY 91 ILE 92 THR 93 LEU 94 GLY 95 VAL 96 LEU 97 VAL 98 PRO 99 HIS 100 VAL 101 GLY 102 GLU 103 THR 104 PRO 105 ILE 106 ALA 107 TYR 108 ARG 109 ASN 110 VAL 111 LEU 112 LEU 113 ARG 114 LYS 115 ASN 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2GDT "Nmr Structure Of The Nonstructural Protein 1 (Nsp1) From The Sars Coronavirus" 100.00 116 100.00 100.00 8.10e-76 PDB 2HSX "Nmr Structure Of The Nonstructural Protein 1 (Nsp1) From The Sars Coronavirus" 100.00 116 100.00 100.00 8.10e-76 DBJ BAC81346 "polyprotein 1ab [SARS coronavirus TWH]" 99.14 7073 100.00 100.00 1.18e-70 DBJ BAC81347 "polyprotein 1a [SARS coronavirus TWH]" 99.14 4382 100.00 100.00 1.04e-70 DBJ BAC81360 "polyprotein 1ab [SARS coronavirus TWJ]" 99.14 7073 100.00 100.00 1.18e-70 DBJ BAC81361 "polyprotein 1a [SARS coronavirus TWJ]" 99.14 4382 100.00 100.00 1.04e-70 DBJ BAC81374 "polyprotein 1ab [SARS coronavirus TWK]" 99.14 7073 100.00 100.00 1.18e-70 GB AAP13439 "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" 99.14 4382 100.00 100.00 1.04e-70 GB AAP13442 "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" 99.14 7073 100.00 100.00 1.18e-70 GB AAP13566 "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" 99.14 7073 100.00 100.00 1.18e-70 GB AAP13575 "orf1a polyprotein [SARS coronavirus CUHK-W1]" 99.14 4382 100.00 100.00 1.04e-70 GB AAP30028 "orf1ab [SARS coronavirus BJ01]" 99.14 7073 100.00 100.00 1.18e-70 REF NP_828849 "orf1ab polyprotein (pp1ab) [SARS coronavirus]" 99.14 7073 100.00 100.00 1.18e-70 REF NP_828850 "orf1a polyprotein (pp1a) [SARS coronavirus]" 99.14 4382 100.00 100.00 1.04e-70 REF NP_828860 "nsp1-pp1a/pp1ab [SARS coronavirus]" 99.14 180 100.00 100.00 1.61e-74 SP P0C6F8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 99.14 4376 98.26 100.00 1.10e-69 SP P0C6U8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 99.14 4382 100.00 100.00 1.04e-70 SP P0C6W2 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 99.14 7067 98.26 100.00 1.25e-69 SP P0C6X7 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 99.14 7073 100.00 100.00 1.18e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SARS-CoV_nsp1 SARS-CoV 227859 Viruses . Coronavirus 'SARS coronavirus' 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 $SARS-CoV_nsp1 'recombinant technology' 'E. coli' . . . pET . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 25 mM Na Phosphate pH 7.0 250 mM NaCl 0.03% Azide 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SARS-CoV_nsp1 2 mM '[U-13C; U-15N]' 'Na Phosphate' 25 mM . NaCl 250 mM . Azide 0.03 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version 1.4 loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_[13C,1H]-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [13C,1H]-HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CC(co)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(co)NH' _Sample_label $sample_1 save_ save_3D_13C-[1H,1H]_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-[1H,1H] NOESY' _Sample_label $sample_1 save_ save_3D_15N-[1H,1H]_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-[1H,1H] NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '298 K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.01 pH pressure 1 0.1 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D [15N,1H]-HSQC' '3D HNCA' '2D [13C,1H]-HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D CC(co)NH' '3D 13C-[1H,1H] NOESY' '3D 15N-[1H,1H] NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name nsp1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 4.294 0.020 2 2 1 1 GLY HA3 H 4.406 0.020 2 3 1 1 GLY CA C 43.571 0.400 1 4 2 2 HIS HA H 5.316 0.020 1 5 2 2 HIS HB2 H 2.943 0.020 2 6 2 2 HIS HB3 H 2.762 0.020 2 7 2 2 HIS HD2 H 6.643 0.020 1 8 2 2 HIS C C 174.728 0.400 1 9 2 2 HIS CA C 55.630 0.400 1 10 2 2 HIS CB C 33.244 0.400 1 11 2 2 HIS CD2 C 119.594 0.400 1 12 3 3 VAL H H 8.942 0.020 1 13 3 3 VAL HA H 4.407 0.020 1 14 3 3 VAL HB H 2.024 0.020 1 15 3 3 VAL HG1 H 0.954 0.020 2 16 3 3 VAL HG2 H 0.954 0.020 2 17 3 3 VAL C C 174.155 0.400 1 18 3 3 VAL CA C 60.695 0.400 1 19 3 3 VAL CB C 34.568 0.400 1 20 3 3 VAL CG1 C 20.798 0.400 1 21 3 3 VAL CG2 C 20.798 0.400 1 22 3 3 VAL N N 119.835 0.400 1 23 4 4 GLN H H 8.696 0.020 1 24 4 4 GLN HA H 4.820 0.020 1 25 4 4 GLN HB2 H 2.046 0.020 2 26 4 4 GLN HB3 H 1.900 0.020 2 27 4 4 GLN HG2 H 2.177 0.020 1 28 4 4 GLN HG3 H 2.177 0.020 1 29 4 4 GLN HE21 H 7.359 0.020 2 30 4 4 GLN HE22 H 6.758 0.020 2 31 4 4 GLN C C 174.876 0.400 1 32 4 4 GLN CA C 55.535 0.400 1 33 4 4 GLN CB C 29.438 0.400 1 34 4 4 GLN CG C 34.047 0.400 1 35 4 4 GLN N N 126.744 0.400 1 36 4 4 GLN NE2 N 111.577 0.400 1 37 5 5 LEU H H 8.953 0.020 1 38 5 5 LEU HA H 4.788 0.020 1 39 5 5 LEU HB2 H 1.572 0.020 2 40 5 5 LEU HB3 H 1.442 0.020 2 41 5 5 LEU HG H 0.841 0.020 1 42 5 5 LEU HD1 H 0.895 0.020 2 43 5 5 LEU HD2 H 0.895 0.020 2 44 5 5 LEU C C 175.468 0.400 1 45 5 5 LEU CA C 53.601 0.400 1 46 5 5 LEU CB C 45.484 0.400 1 47 5 5 LEU CG C 26.901 0.400 1 48 5 5 LEU CD1 C 23.809 0.400 1 49 5 5 LEU CD2 C 23.813 0.400 1 50 5 5 LEU N N 126.778 0.400 1 51 6 6 SER H H 8.556 0.020 1 52 6 6 SER HA H 5.104 0.020 1 53 6 6 SER HB2 H 3.758 0.020 2 54 6 6 SER HB3 H 3.633 0.020 2 55 6 6 SER C C 174.451 0.400 1 56 6 6 SER CA C 56.297 0.400 1 57 6 6 SER CB C 63.326 0.400 1 58 6 6 SER N N 117.516 0.400 1 59 7 7 LEU H H 9.155 0.020 1 60 7 7 LEU HA H 5.025 0.020 1 61 7 7 LEU HB2 H 1.700 0.020 2 62 7 7 LEU HB3 H 1.163 0.020 2 63 7 7 LEU HG H 1.585 0.020 1 64 7 7 LEU HD1 H 0.810 0.020 2 65 7 7 LEU HD2 H 0.686 0.020 2 66 7 7 LEU CA C 51.295 0.400 1 67 7 7 LEU CB C 43.702 0.400 1 68 7 7 LEU CG C 26.755 0.400 1 69 7 7 LEU CD1 C 24.208 0.400 1 70 7 7 LEU CD2 C 26.464 0.400 1 71 7 7 LEU N N 127.200 0.400 1 72 8 8 PRO HA H 3.966 0.020 1 73 8 8 PRO HB2 H 1.691 0.020 2 74 8 8 PRO HB3 H 1.124 0.020 2 75 8 8 PRO HG2 H 1.974 0.020 2 76 8 8 PRO HG3 H 1.911 0.020 2 77 8 8 PRO HD2 H 4.361 0.020 2 78 8 8 PRO HD3 H 4.044 0.020 2 79 8 8 PRO C C 174.358 0.400 1 80 8 8 PRO CA C 61.916 0.400 1 81 8 8 PRO CB C 31.867 0.400 1 82 8 8 PRO CG C 26.705 0.400 1 83 8 8 PRO CD C 50.394 0.400 1 84 9 9 VAL H H 8.424 0.020 1 85 9 9 VAL HA H 4.696 0.020 1 86 9 9 VAL HB H 1.493 0.020 1 87 9 9 VAL HG1 H 0.791 0.020 2 88 9 9 VAL HG2 H 0.657 0.020 2 89 9 9 VAL C C 174.987 0.400 1 90 9 9 VAL CA C 60.728 0.400 1 91 9 9 VAL CB C 31.671 0.400 1 92 9 9 VAL CG1 C 21.608 0.400 1 93 9 9 VAL CG2 C 21.932 0.400 1 94 9 9 VAL N N 124.945 0.400 1 95 10 10 LEU H H 8.683 0.020 1 96 10 10 LEU HA H 4.644 0.020 1 97 10 10 LEU HB2 H 1.191 0.020 2 98 10 10 LEU HB3 H 1.161 0.020 2 99 10 10 LEU HG H 1.364 0.020 1 100 10 10 LEU HD1 H 0.619 0.020 2 101 10 10 LEU HD2 H 0.300 0.020 2 102 10 10 LEU C C 176.411 0.400 1 103 10 10 LEU CA C 51.674 0.400 1 104 10 10 LEU CB C 43.134 0.400 1 105 10 10 LEU CG C 27.332 0.400 1 106 10 10 LEU CD1 C 25.497 0.400 1 107 10 10 LEU CD2 C 22.029 0.400 1 108 10 10 LEU N N 125.971 0.400 1 109 11 11 GLN H H 9.070 0.020 1 110 11 11 GLN HA H 4.439 0.020 1 111 11 11 GLN HB2 H 2.125 0.020 2 112 11 11 GLN HB3 H 1.956 0.020 2 113 11 11 GLN HG2 H 2.423 0.020 2 114 11 11 GLN HG3 H 2.284 0.020 2 115 11 11 GLN HE21 H 7.683 0.020 2 116 11 11 GLN HE22 H 6.878 0.020 2 117 11 11 GLN C C 178.426 0.400 1 118 11 11 GLN CA C 54.986 0.400 1 119 11 11 GLN CB C 29.216 0.400 1 120 11 11 GLN CG C 35.069 0.400 1 121 11 11 GLN N N 121.326 0.400 1 122 11 11 GLN NE2 N 112.070 0.400 1 123 12 12 VAL H H 9.124 0.020 1 124 12 12 VAL HA H 3.715 0.020 1 125 12 12 VAL HB H 2.120 0.020 1 126 12 12 VAL HG1 H 0.995 0.020 2 127 12 12 VAL HG2 H 0.936 0.020 2 128 12 12 VAL C C 175.819 0.400 1 129 12 12 VAL CA C 65.479 0.400 1 130 12 12 VAL CB C 30.990 0.400 1 131 12 12 VAL CG1 C 19.529 0.400 1 132 12 12 VAL CG2 C 23.074 0.400 1 133 12 12 VAL N N 126.672 0.400 1 134 13 13 ARG H H 8.056 0.020 1 135 13 13 ARG HA H 4.163 0.020 1 136 13 13 ARG HB2 H 1.824 0.020 2 137 13 13 ARG HB3 H 1.792 0.020 2 138 13 13 ARG HG2 H 1.662 0.020 2 139 13 13 ARG HG3 H 1.592 0.020 2 140 13 13 ARG HD2 H 3.158 0.020 1 141 13 13 ARG HD3 H 3.158 0.020 1 142 13 13 ARG C C 176.817 0.400 1 143 13 13 ARG CA C 57.785 0.400 1 144 13 13 ARG CB C 29.645 0.400 1 145 13 13 ARG CG C 27.172 0.400 1 146 13 13 ARG CD C 43.399 0.400 1 147 13 13 ARG N N 117.730 0.400 1 148 14 14 ASP H H 7.719 0.020 1 149 14 14 ASP HA H 4.521 0.020 1 150 14 14 ASP HB2 H 2.864 0.020 2 151 14 14 ASP HB3 H 2.752 0.020 2 152 14 14 ASP C C 176.318 0.400 1 153 14 14 ASP CA C 54.533 0.400 1 154 14 14 ASP CB C 42.065 0.400 1 155 14 14 ASP N N 117.112 0.400 1 156 15 15 VAL H H 6.866 0.020 1 157 15 15 VAL HA H 3.864 0.020 1 158 15 15 VAL HB H 1.850 0.020 1 159 15 15 VAL HG1 H 0.849 0.020 2 160 15 15 VAL HG2 H 0.707 0.020 2 161 15 15 VAL C C 177.224 0.400 1 162 15 15 VAL CA C 63.878 0.400 1 163 15 15 VAL CB C 31.782 0.400 1 164 15 15 VAL CG1 C 23.570 0.400 1 165 15 15 VAL CG2 C 23.350 0.400 1 166 15 15 VAL N N 118.379 0.400 1 167 16 16 LEU H H 9.441 0.020 1 168 16 16 LEU HA H 4.205 0.020 1 169 16 16 LEU HB2 H 1.739 0.020 2 170 16 16 LEU HB3 H 1.442 0.020 2 171 16 16 LEU HG H 1.760 0.020 1 172 16 16 LEU HD1 H 0.888 0.020 2 173 16 16 LEU HD2 H 0.850 0.020 2 174 16 16 LEU C C 177.853 0.400 1 175 16 16 LEU CA C 57.164 0.400 1 176 16 16 LEU CB C 42.712 0.400 1 177 16 16 LEU CG C 27.029 0.400 1 178 16 16 LEU CD1 C 24.653 0.400 1 179 16 16 LEU CD2 C 23.563 0.400 1 180 16 16 LEU N N 131.970 0.400 1 181 17 17 VAL H H 10.090 0.020 1 182 17 17 VAL HA H 4.030 0.020 1 183 17 17 VAL HB H 1.943 0.020 1 184 17 17 VAL HG1 H 0.955 0.020 2 185 17 17 VAL HG2 H 0.815 0.020 2 186 17 17 VAL C C 174.820 0.400 1 187 17 17 VAL CA C 62.609 0.400 1 188 17 17 VAL CB C 31.576 0.400 1 189 17 17 VAL CG1 C 22.522 0.400 1 190 17 17 VAL CG2 C 20.478 0.400 1 191 17 17 VAL N N 126.808 0.400 1 192 18 18 ARG H H 8.014 0.020 1 193 18 18 ARG HA H 3.944 0.020 1 194 18 18 ARG HB2 H 1.561 0.020 2 195 18 18 ARG HB3 H 2.187 0.020 2 196 18 18 ARG HG2 H 1.266 0.020 2 197 18 18 ARG HG3 H 1.537 0.020 2 198 18 18 ARG HD2 H 3.390 0.020 2 199 18 18 ARG HD3 H 3.270 0.020 2 200 18 18 ARG HE H 7.206 0.020 1 201 18 18 ARG C C 175.116 0.400 1 202 18 18 ARG CA C 56.797 0.400 1 203 18 18 ARG CB C 29.880 0.400 1 204 18 18 ARG CG C 29.397 0.400 1 205 18 18 ARG CD C 43.132 0.400 1 206 18 18 ARG N N 119.791 0.400 1 207 18 18 ARG NE N 86.175 0.400 1 208 19 19 GLY H H 7.153 0.020 1 209 19 19 GLY HA2 H 4.326 0.020 2 210 19 19 GLY HA3 H 3.857 0.020 2 211 19 19 GLY C C 171.825 0.400 1 212 19 19 GLY CA C 45.274 0.400 1 213 19 19 GLY N N 105.827 0.400 1 214 20 20 PHE H H 9.965 0.020 1 215 20 20 PHE HA H 4.527 0.020 1 216 20 20 PHE HB2 H 3.532 0.020 2 217 20 20 PHE HB3 H 2.844 0.020 2 218 20 20 PHE HD1 H 7.124 0.020 1 219 20 20 PHE HD2 H 7.124 0.020 1 220 20 20 PHE HE1 H 6.586 0.020 1 221 20 20 PHE HE2 H 6.586 0.020 1 222 20 20 PHE HZ H 7.030 0.020 1 223 20 20 PHE C C 176.133 0.400 1 224 20 20 PHE CA C 59.441 0.400 1 225 20 20 PHE CB C 42.286 0.400 1 226 20 20 PHE CD1 C 131.434 0.400 1 227 20 20 PHE CD2 C 131.434 0.400 1 228 20 20 PHE CE1 C 130.868 0.400 1 229 20 20 PHE CE2 C 130.868 0.400 1 230 20 20 PHE CZ C 128.430 0.400 1 231 20 20 PHE N N 116.295 0.400 1 232 21 21 GLY H H 7.309 0.020 1 233 21 21 GLY HA2 H 4.053 0.020 2 234 21 21 GLY HA3 H 3.884 0.020 2 235 21 21 GLY C C 171.917 0.400 1 236 21 21 GLY CA C 45.583 0.400 1 237 21 21 GLY N N 103.792 0.400 1 238 22 22 ASP H H 8.589 0.020 1 239 22 22 ASP HA H 4.792 0.020 1 240 22 22 ASP HB2 H 2.720 0.020 1 241 22 22 ASP HB3 H 2.720 0.020 1 242 22 22 ASP C C 175.542 0.400 1 243 22 22 ASP CA C 54.885 0.400 1 244 22 22 ASP CB C 41.920 0.400 1 245 22 22 ASP N N 116.126 0.400 1 246 23 23 SER H H 7.476 0.020 1 247 23 23 SER HA H 4.746 0.020 1 248 23 23 SER HB2 H 4.191 0.020 2 249 23 23 SER HB3 H 3.898 0.020 2 250 23 23 SER C C 174.303 0.400 1 251 23 23 SER CA C 55.522 0.400 1 252 23 23 SER CB C 66.126 0.400 1 253 23 23 SER N N 111.603 0.400 1 254 24 24 VAL H H 9.130 0.020 1 255 24 24 VAL HA H 3.269 0.020 1 256 24 24 VAL HB H 2.028 0.020 1 257 24 24 VAL HG1 H 0.964 0.020 2 258 24 24 VAL HG2 H 0.871 0.020 2 259 24 24 VAL C C 176.614 0.400 1 260 24 24 VAL CA C 67.702 0.400 1 261 24 24 VAL CB C 31.470 0.400 1 262 24 24 VAL CG1 C 22.196 0.400 1 263 24 24 VAL CG2 C 21.385 0.400 1 264 24 24 VAL N N 122.747 0.400 1 265 25 25 GLU H H 8.810 0.020 1 266 25 25 GLU HA H 3.953 0.020 1 267 25 25 GLU HB2 H 2.028 0.020 2 268 25 25 GLU HB3 H 1.952 0.020 2 269 25 25 GLU HG2 H 2.381 0.020 2 270 25 25 GLU HG3 H 2.293 0.020 2 271 25 25 GLU C C 179.684 0.400 1 272 25 25 GLU CA C 60.082 0.400 1 273 25 25 GLU CB C 28.853 0.400 1 274 25 25 GLU CG C 36.640 0.400 1 275 25 25 GLU N N 117.430 0.400 1 276 26 26 GLU H H 7.581 0.020 1 277 26 26 GLU HA H 4.121 0.020 1 278 26 26 GLU HB2 H 2.062 0.020 2 279 26 26 GLU HB3 H 2.007 0.020 2 280 26 26 GLU HG2 H 2.362 0.020 2 281 26 26 GLU HG3 H 2.294 0.020 2 282 26 26 GLU C C 177.779 0.400 1 283 26 26 GLU CA C 58.686 0.400 1 284 26 26 GLU CB C 30.635 0.400 1 285 26 26 GLU CG C 36.778 0.400 1 286 26 26 GLU N N 119.831 0.400 1 287 27 27 ALA H H 8.523 0.020 1 288 27 27 ALA HA H 3.835 0.020 1 289 27 27 ALA HB H 1.245 0.020 1 290 27 27 ALA C C 179.166 0.400 1 291 27 27 ALA CA C 54.760 0.400 1 292 27 27 ALA CB C 17.512 0.400 1 293 27 27 ALA N N 120.787 0.400 1 294 28 28 LEU H H 8.003 0.020 1 295 28 28 LEU HA H 3.774 0.020 1 296 28 28 LEU HB2 H 1.724 0.020 2 297 28 28 LEU HB3 H 1.458 0.020 2 298 28 28 LEU HG H 1.552 0.020 1 299 28 28 LEU HD1 H 0.831 0.020 2 300 28 28 LEU HD2 H 0.774 0.020 2 301 28 28 LEU C C 178.519 0.400 1 302 28 28 LEU CA C 57.878 0.400 1 303 28 28 LEU CB C 42.246 0.400 1 304 28 28 LEU CG C 26.954 0.400 1 305 28 28 LEU CD1 C 25.151 0.400 1 306 28 28 LEU CD2 C 24.183 0.400 1 307 28 28 LEU N N 116.196 0.400 1 308 29 29 SER H H 7.592 0.020 1 309 29 29 SER HA H 4.057 0.020 1 310 29 29 SER HB2 H 3.996 0.020 1 311 29 29 SER HB3 H 3.996 0.020 1 312 29 29 SER C C 178.167 0.400 1 313 29 29 SER CA C 61.677 0.400 1 314 29 29 SER CB C 62.505 0.400 1 315 29 29 SER N N 113.223 0.400 1 316 30 30 GLU H H 8.524 0.020 1 317 30 30 GLU HA H 4.187 0.020 1 318 30 30 GLU HB2 H 2.322 0.020 2 319 30 30 GLU HB3 H 2.236 0.020 2 320 30 30 GLU HG2 H 2.571 0.020 2 321 30 30 GLU HG3 H 2.601 0.020 2 322 30 30 GLU C C 179.388 0.400 1 323 30 30 GLU CA C 58.543 0.400 1 324 30 30 GLU CB C 30.416 0.400 1 325 30 30 GLU CG C 36.578 0.400 1 326 30 30 GLU N N 121.220 0.400 1 327 31 31 ALA H H 8.386 0.020 1 328 31 31 ALA HA H 2.730 0.020 1 329 31 31 ALA HB H 0.766 0.020 1 330 31 31 ALA C C 179.369 0.400 1 331 31 31 ALA CA C 55.481 0.400 1 332 31 31 ALA CB C 18.360 0.400 1 333 31 31 ALA N N 124.377 0.400 1 334 32 32 ARG H H 7.830 0.020 1 335 32 32 ARG HA H 3.747 0.020 1 336 32 32 ARG HB2 H 1.922 0.020 2 337 32 32 ARG HB3 H 1.798 0.020 2 338 32 32 ARG HG2 H 1.461 0.020 1 339 32 32 ARG HG3 H 1.461 0.020 1 340 32 32 ARG HD2 H 3.184 0.020 2 341 32 32 ARG HD3 H 3.111 0.020 2 342 32 32 ARG C C 179.332 0.400 1 343 32 32 ARG CA C 60.315 0.400 1 344 32 32 ARG CB C 29.942 0.400 1 345 32 32 ARG CG C 29.331 0.400 1 346 32 32 ARG CD C 43.412 0.400 1 347 32 32 ARG N N 114.943 0.400 1 348 33 33 GLU H H 7.600 0.020 1 349 33 33 GLU HA H 4.046 0.020 1 350 33 33 GLU HB2 H 2.113 0.020 2 351 33 33 GLU HB3 H 2.055 0.020 2 352 33 33 GLU HG2 H 2.337 0.020 2 353 33 33 GLU HG3 H 2.189 0.020 2 354 33 33 GLU C C 178.722 0.400 1 355 33 33 GLU CA C 58.983 0.400 1 356 33 33 GLU CB C 29.181 0.400 1 357 33 33 GLU CG C 35.244 0.400 1 358 33 33 GLU N N 120.500 0.400 1 359 34 34 HIS H H 8.354 0.020 1 360 34 34 HIS HA H 4.297 0.020 1 361 34 34 HIS HB2 H 3.029 0.020 1 362 34 34 HIS HB3 H 3.029 0.020 1 363 34 34 HIS HD2 H 7.627 0.020 1 364 34 34 HIS C C 178.593 0.400 1 365 34 34 HIS CA C 59.738 0.400 1 366 34 34 HIS CB C 29.508 0.400 1 367 34 34 HIS CD2 C 122.210 0.400 1 368 34 34 HIS N N 117.975 0.400 1 369 35 35 LEU H H 8.753 0.020 1 370 35 35 LEU HA H 4.040 0.020 1 371 35 35 LEU HB2 H 1.933 0.020 2 372 35 35 LEU HB3 H 1.302 0.020 2 373 35 35 LEU HG H 1.727 0.020 1 374 35 35 LEU HD1 H 0.887 0.020 2 375 35 35 LEU HD2 H 0.725 0.020 2 376 35 35 LEU C C 179.924 0.400 1 377 35 35 LEU CA C 58.161 0.400 1 378 35 35 LEU CB C 41.920 0.400 1 379 35 35 LEU CG C 26.821 0.400 1 380 35 35 LEU CD1 C 24.863 0.400 1 381 35 35 LEU CD2 C 26.558 0.400 1 382 35 35 LEU N N 121.742 0.400 1 383 36 36 LYS H H 7.670 0.020 1 384 36 36 LYS HA H 4.042 0.020 1 385 36 36 LYS HB2 H 1.940 0.020 2 386 36 36 LYS HB3 H 1.915 0.020 2 387 36 36 LYS HG2 H 1.546 0.020 2 388 36 36 LYS HG3 H 1.400 0.020 2 389 36 36 LYS HD2 H 1.688 0.020 2 390 36 36 LYS HD3 H 1.664 0.020 2 391 36 36 LYS HE2 H 2.921 0.020 1 392 36 36 LYS HE3 H 2.921 0.020 1 393 36 36 LYS C C 177.964 0.400 1 394 36 36 LYS CA C 58.946 0.400 1 395 36 36 LYS CB C 32.099 0.400 1 396 36 36 LYS CG C 24.442 0.400 1 397 36 36 LYS CD C 29.374 0.400 1 398 36 36 LYS CE C 41.859 0.400 1 399 36 36 LYS N N 119.816 0.400 1 400 37 37 ASN H H 7.753 0.020 1 401 37 37 ASN HA H 4.791 0.020 1 402 37 37 ASN HB2 H 2.925 0.020 2 403 37 37 ASN HB3 H 2.831 0.020 2 404 37 37 ASN HD21 H 7.420 0.020 2 405 37 37 ASN HD22 H 6.950 0.020 2 406 37 37 ASN C C 175.745 0.400 1 407 37 37 ASN CA C 52.792 0.400 1 408 37 37 ASN CB C 39.305 0.400 1 409 37 37 ASN N N 114.595 0.400 1 410 37 37 ASN ND2 N 112.530 0.400 1 411 38 38 GLY H H 7.842 0.020 1 412 38 38 GLY HA2 H 4.244 0.020 1 413 38 38 GLY HA3 H 4.244 0.020 1 414 38 38 GLY C C 176.078 0.400 1 415 38 38 GLY CA C 47.055 0.400 1 416 38 38 GLY N N 109.075 0.400 1 417 39 39 THR H H 8.851 0.020 1 418 39 39 THR HA H 4.890 0.020 1 419 39 39 THR HB H 5.131 0.020 1 420 39 39 THR HG2 H 1.137 0.020 1 421 39 39 THR C C 173.970 0.400 1 422 39 39 THR CA C 60.173 0.400 1 423 39 39 THR CB C 67.131 0.400 1 424 39 39 THR CG2 C 21.194 0.400 1 425 39 39 THR N N 110.240 0.400 1 426 40 40 CYS H H 8.460 0.020 1 427 40 40 CYS HA H 5.292 0.020 1 428 40 40 CYS HB2 H 2.977 0.020 2 429 40 40 CYS HB3 H 2.441 0.020 2 430 40 40 CYS C C 173.027 0.400 1 431 40 40 CYS CA C 57.560 0.400 1 432 40 40 CYS CB C 30.530 0.400 1 433 40 40 CYS N N 122.095 0.400 1 434 41 41 GLY H H 9.866 0.020 1 435 41 41 GLY HA2 H 4.750 0.020 2 436 41 41 GLY HA3 H 3.147 0.020 2 437 41 41 GLY C C 169.939 0.400 1 438 41 41 GLY CA C 43.504 0.400 1 439 41 41 GLY N N 114.105 0.400 1 440 42 42 LEU H H 8.728 0.020 1 441 42 42 LEU HA H 5.050 0.020 1 442 42 42 LEU HB2 H 1.550 0.020 2 443 42 42 LEU HB3 H 1.031 0.020 2 444 42 42 LEU HG H 1.265 0.020 1 445 42 42 LEU HD1 H 0.668 0.020 2 446 42 42 LEU HD2 H 0.615 0.020 2 447 42 42 LEU C C 174.007 0.400 1 448 42 42 LEU CA C 53.155 0.400 1 449 42 42 LEU CB C 47.011 0.400 1 450 42 42 LEU CG C 27.360 0.400 1 451 42 42 LEU CD1 C 26.145 0.400 1 452 42 42 LEU CD2 C 24.717 0.400 1 453 42 42 LEU N N 120.341 0.400 1 454 43 43 VAL H H 9.416 0.020 1 455 43 43 VAL HA H 4.483 0.020 1 456 43 43 VAL HB H 1.872 0.020 1 457 43 43 VAL HG1 H 0.915 0.020 2 458 43 43 VAL HG2 H 0.726 0.020 2 459 43 43 VAL C C 176.355 0.400 1 460 43 43 VAL CA C 60.332 0.400 1 461 43 43 VAL CB C 33.011 0.400 1 462 43 43 VAL CG1 C 22.198 0.400 1 463 43 43 VAL CG2 C 21.735 0.400 1 464 43 43 VAL N N 125.987 0.400 1 465 44 44 GLU H H 8.924 0.020 1 466 44 44 GLU HA H 4.253 0.020 1 467 44 44 GLU HB2 H 2.009 0.020 2 468 44 44 GLU HB3 H 1.891 0.020 2 469 44 44 GLU HG2 H 2.335 0.020 2 470 44 44 GLU HG3 H 2.055 0.020 2 471 44 44 GLU C C 176.799 0.400 1 472 44 44 GLU CA C 57.175 0.400 1 473 44 44 GLU CB C 29.744 0.400 1 474 44 44 GLU CG C 38.324 0.400 1 475 44 44 GLU N N 126.294 0.400 1 476 45 45 LEU H H 8.392 0.020 1 477 45 45 LEU HA H 4.056 0.020 1 478 45 45 LEU HB2 H 1.552 0.020 2 479 45 45 LEU HB3 H 1.460 0.020 2 480 45 45 LEU HG H 1.523 0.020 1 481 45 45 LEU HD1 H 0.838 0.020 2 482 45 45 LEU HD2 H 0.785 0.020 2 483 45 45 LEU C C 175.763 0.400 1 484 45 45 LEU CA C 55.782 0.400 1 485 45 45 LEU CB C 41.425 0.400 1 486 45 45 LEU CG C 27.280 0.400 1 487 45 45 LEU CD1 C 24.942 0.400 1 488 45 45 LEU CD2 C 23.813 0.400 1 489 45 45 LEU N N 121.934 0.400 1 490 46 46 GLU H H 6.997 0.020 1 491 46 46 GLU HA H 4.477 0.020 1 492 46 46 GLU HB2 H 2.152 0.020 2 493 46 46 GLU HB3 H 1.886 0.020 2 494 46 46 GLU HG2 H 2.217 0.020 2 495 46 46 GLU HG3 H 2.141 0.020 2 496 46 46 GLU C C 175.542 0.400 1 497 46 46 GLU CA C 54.429 0.400 1 498 46 46 GLU CB C 32.813 0.400 1 499 46 46 GLU CG C 36.203 0.400 1 500 46 46 GLU N N 120.966 0.400 1 501 47 47 LYS H H 8.920 0.020 1 502 47 47 LYS HA H 4.091 0.020 1 503 47 47 LYS HB2 H 1.835 0.020 2 504 47 47 LYS HB3 H 1.784 0.020 2 505 47 47 LYS HG2 H 1.513 0.020 2 506 47 47 LYS HG3 H 1.402 0.020 2 507 47 47 LYS HD2 H 1.704 0.020 1 508 47 47 LYS HD3 H 1.704 0.020 1 509 47 47 LYS HE2 H 3.004 0.020 1 510 47 47 LYS HE3 H 3.004 0.020 1 511 47 47 LYS CA C 58.728 0.400 1 512 47 47 LYS CB C 31.944 0.400 1 513 47 47 LYS CG C 24.583 0.400 1 514 47 47 LYS CD C 29.290 0.400 1 515 47 47 LYS CE C 42.046 0.400 1 516 47 47 LYS N N 123.640 0.400 1 517 48 48 GLY HA2 H 4.252 0.020 2 518 48 48 GLY HA3 H 3.701 0.020 2 519 48 48 GLY C C 175.782 0.400 1 520 48 48 GLY CA C 45.385 0.400 1 521 49 49 VAL H H 7.834 0.020 1 522 49 49 VAL HA H 3.808 0.020 1 523 49 49 VAL HB H 2.110 0.020 1 524 49 49 VAL HG1 H 1.088 0.020 2 525 49 49 VAL HG2 H 0.880 0.020 2 526 49 49 VAL C C 176.374 0.400 1 527 49 49 VAL CA C 66.488 0.400 1 528 49 49 VAL CB C 32.655 0.400 1 529 49 49 VAL CG1 C 23.603 0.400 1 530 49 49 VAL CG2 C 21.301 0.400 1 531 49 49 VAL N N 122.002 0.400 1 532 50 50 LEU H H 8.617 0.020 1 533 50 50 LEU HA H 3.928 0.020 1 534 50 50 LEU HB2 H 1.790 0.020 2 535 50 50 LEU HB3 H 1.307 0.020 2 536 50 50 LEU HG H 1.567 0.020 1 537 50 50 LEU HD1 H 0.684 0.020 2 538 50 50 LEU HD2 H 0.235 0.020 2 539 50 50 LEU CA C 59.617 0.400 1 540 50 50 LEU CB C 37.744 0.400 1 541 50 50 LEU CG C 26.229 0.400 1 542 50 50 LEU CD1 C 25.268 0.400 1 543 50 50 LEU CD2 C 22.543 0.400 1 544 50 50 LEU N N 119.036 0.400 1 545 51 51 PRO HA H 4.587 0.020 1 546 51 51 PRO HB2 H 2.440 0.020 2 547 51 51 PRO HB3 H 1.744 0.020 2 548 51 51 PRO HG2 H 2.005 0.020 2 549 51 51 PRO HG3 H 1.952 0.020 2 550 51 51 PRO HD2 H 3.719 0.020 2 551 51 51 PRO HD3 H 3.320 0.020 2 552 51 51 PRO C C 177.113 0.400 1 553 51 51 PRO CA C 64.885 0.400 1 554 51 51 PRO CB C 31.467 0.400 1 555 51 51 PRO CG C 27.989 0.400 1 556 51 51 PRO CD C 50.300 0.400 1 557 52 52 GLN H H 7.551 0.020 1 558 52 52 GLN HA H 4.369 0.020 1 559 52 52 GLN HB2 H 2.228 0.020 2 560 52 52 GLN HB3 H 2.124 0.020 2 561 52 52 GLN HG2 H 2.239 0.020 2 562 52 52 GLN HG3 H 2.416 0.020 2 563 52 52 GLN HE21 H 7.280 0.020 2 564 52 52 GLN HE22 H 6.701 0.020 2 565 52 52 GLN C C 175.468 0.400 1 566 52 52 GLN CA C 55.889 0.400 1 567 52 52 GLN CB C 30.227 0.400 1 568 52 52 GLN CG C 34.981 0.400 1 569 52 52 GLN N N 112.992 0.400 1 570 52 52 GLN NE2 N 112.419 0.400 1 571 53 53 LEU H H 7.890 0.020 1 572 53 53 LEU HA H 4.749 0.020 1 573 53 53 LEU HB2 H 2.069 0.020 2 574 53 53 LEU HB3 H 1.966 0.020 2 575 53 53 LEU HG H 1.642 0.020 1 576 53 53 LEU HD1 H 0.822 0.020 2 577 53 53 LEU HD2 H 0.722 0.020 2 578 53 53 LEU C C 174.950 0.400 1 579 53 53 LEU CA C 53.230 0.400 1 580 53 53 LEU CB C 43.539 0.400 1 581 53 53 LEU CG C 26.550 0.400 1 582 53 53 LEU CD1 C 22.800 0.400 1 583 53 53 LEU CD2 C 26.626 0.400 1 584 53 53 LEU N N 121.603 0.400 1 585 54 54 GLU H H 7.238 0.020 1 586 54 54 GLU HA H 4.357 0.020 1 587 54 54 GLU HB2 H 1.831 0.020 2 588 54 54 GLU HB3 H 1.442 0.020 2 589 54 54 GLU HG2 H 2.144 0.020 2 590 54 54 GLU HG3 H 2.093 0.020 2 591 54 54 GLU C C 174.654 0.400 1 592 54 54 GLU CA C 55.283 0.400 1 593 54 54 GLU CB C 31.031 0.400 1 594 54 54 GLU CG C 36.103 0.400 1 595 54 54 GLU N N 118.083 0.400 1 596 55 55 GLN H H 8.130 0.020 1 597 55 55 GLN HA H 3.293 0.020 1 598 55 55 GLN HB2 H 1.873 0.020 2 599 55 55 GLN HB3 H 1.687 0.020 2 600 55 55 GLN HG2 H 2.127 0.020 2 601 55 55 GLN HG3 H 1.989 0.020 2 602 55 55 GLN HE21 H 7.340 0.020 2 603 55 55 GLN HE22 H 6.907 0.020 2 604 55 55 GLN CA C 53.345 0.400 1 605 55 55 GLN CB C 28.474 0.400 1 606 55 55 GLN CG C 34.190 0.400 1 607 55 55 GLN N N 120.353 0.400 1 608 55 55 GLN NE2 N 110.403 0.400 1 609 56 56 PRO HA H 4.362 0.020 1 610 56 56 PRO HB2 H 2.234 0.020 2 611 56 56 PRO HB3 H 1.570 0.020 2 612 56 56 PRO HG2 H 1.410 0.020 2 613 56 56 PRO HG3 H 1.231 0.020 2 614 56 56 PRO HD2 H 4.078 0.020 2 615 56 56 PRO HD3 H 2.981 0.020 2 616 56 56 PRO C C 173.397 0.400 1 617 56 56 PRO CA C 61.314 0.400 1 618 56 56 PRO CB C 35.718 0.400 1 619 56 56 PRO CG C 24.004 0.400 1 620 56 56 PRO CD C 49.852 0.400 1 621 57 57 TYR H H 7.940 0.020 1 622 57 57 TYR HA H 4.496 0.020 1 623 57 57 TYR HB2 H 2.259 0.020 2 624 57 57 TYR HB3 H 2.133 0.020 2 625 57 57 TYR HD1 H 6.931 0.020 1 626 57 57 TYR HD2 H 6.931 0.020 1 627 57 57 TYR HE1 H 6.541 0.020 1 628 57 57 TYR HE2 H 6.541 0.020 1 629 57 57 TYR C C 175.172 0.400 1 630 57 57 TYR CA C 55.233 0.400 1 631 57 57 TYR CB C 40.831 0.400 1 632 57 57 TYR CD1 C 133.130 0.400 1 633 57 57 TYR CD2 C 133.130 0.400 1 634 57 57 TYR CE1 C 118.499 0.400 1 635 57 57 TYR CE2 C 118.499 0.400 1 636 57 57 TYR N N 118.816 0.400 1 637 58 58 VAL H H 9.196 0.020 1 638 58 58 VAL HA H 4.411 0.020 1 639 58 58 VAL HB H 2.071 0.020 1 640 58 58 VAL HG1 H 0.890 0.020 2 641 58 58 VAL HG2 H 0.748 0.020 2 642 58 58 VAL C C 174.229 0.400 1 643 58 58 VAL CA C 62.015 0.400 1 644 58 58 VAL CB C 32.017 0.400 1 645 58 58 VAL CG1 C 21.548 0.400 1 646 58 58 VAL CG2 C 22.529 0.400 1 647 58 58 VAL N N 121.987 0.400 1 648 59 59 PHE H H 9.250 0.020 1 649 59 59 PHE HA H 5.406 0.020 1 650 59 59 PHE HB2 H 3.000 0.020 2 651 59 59 PHE HB3 H 2.715 0.020 2 652 59 59 PHE HD1 H 7.087 0.020 1 653 59 59 PHE HD2 H 7.087 0.020 1 654 59 59 PHE HE1 H 7.228 0.020 1 655 59 59 PHE HE2 H 7.228 0.020 1 656 59 59 PHE HZ H 6.862 0.020 1 657 59 59 PHE C C 176.096 0.400 1 658 59 59 PHE CA C 56.116 0.400 1 659 59 59 PHE CB C 41.722 0.400 1 660 59 59 PHE CD1 C 132.070 0.400 1 661 59 59 PHE CD2 C 132.070 0.400 1 662 59 59 PHE CE1 C 131.045 0.400 1 663 59 59 PHE CE2 C 131.045 0.400 1 664 59 59 PHE CZ C 128.536 0.400 1 665 59 59 PHE N N 123.346 0.400 1 666 60 60 ILE H H 7.771 0.020 1 667 60 60 ILE HA H 5.142 0.020 1 668 60 60 ILE HB H 1.479 0.020 1 669 60 60 ILE HG12 H 0.879 0.020 2 670 60 60 ILE HG13 H 1.634 0.020 2 671 60 60 ILE HG2 H 0.810 0.020 1 672 60 60 ILE HD1 H 0.714 0.020 1 673 60 60 ILE C C 174.894 0.400 1 674 60 60 ILE CA C 58.632 0.400 1 675 60 60 ILE CB C 40.336 0.400 1 676 60 60 ILE CG1 C 26.224 0.400 1 677 60 60 ILE CG2 C 18.371 0.400 1 678 60 60 ILE CD1 C 14.247 0.400 1 679 60 60 ILE N N 112.049 0.400 1 680 61 61 LYS H H 9.082 0.020 1 681 61 61 LYS HA H 5.170 0.020 1 682 61 61 LYS HB2 H 1.630 0.020 2 683 61 61 LYS HB3 H 1.513 0.020 2 684 61 61 LYS HG2 H 1.272 0.020 2 685 61 61 LYS HG3 H 1.224 0.020 2 686 61 61 LYS HD2 H 1.416 0.020 1 687 61 61 LYS HD3 H 1.416 0.020 1 688 61 61 LYS HE2 H 2.757 0.020 1 689 61 61 LYS HE3 H 2.757 0.020 1 690 61 61 LYS C C 175.005 0.400 1 691 61 61 LYS CA C 53.543 0.400 1 692 61 61 LYS CB C 36.278 0.400 1 693 61 61 LYS CG C 23.579 0.400 1 694 61 61 LYS CD C 29.708 0.400 1 695 61 61 LYS CE C 41.628 0.400 1 696 61 61 LYS N N 124.466 0.400 1 697 62 62 ARG H H 8.778 0.020 1 698 62 62 ARG HA H 4.425 0.020 1 699 62 62 ARG HB2 H 1.971 0.020 2 700 62 62 ARG HB3 H 1.761 0.020 2 701 62 62 ARG HG2 H 1.761 0.020 2 702 62 62 ARG HG3 H 1.651 0.020 2 703 62 62 ARG HD2 H 3.199 0.020 1 704 62 62 ARG HD3 H 3.199 0.020 1 705 62 62 ARG C C 176.170 0.400 1 706 62 62 ARG CA C 56.941 0.400 1 707 62 62 ARG CB C 30.927 0.400 1 708 62 62 ARG CG C 27.822 0.400 1 709 62 62 ARG CD C 43.430 0.400 1 710 62 62 ARG N N 122.110 0.400 1 711 63 63 SER H H 8.654 0.020 1 712 63 63 SER HA H 4.395 0.020 1 713 63 63 SER HB2 H 3.669 0.020 2 714 63 63 SER HB3 H 3.645 0.020 2 715 63 63 SER C C 174.525 0.400 1 716 63 63 SER CA C 58.203 0.400 1 717 63 63 SER CB C 63.859 0.400 1 718 63 63 SER N N 119.520 0.400 1 719 64 64 ASP H H 8.511 0.020 1 720 64 64 ASP HA H 4.602 0.020 1 721 64 64 ASP HB2 H 2.693 0.020 2 722 64 64 ASP HB3 H 2.622 0.020 2 723 64 64 ASP C C 176.078 0.400 1 724 64 64 ASP CA C 54.445 0.400 1 725 64 64 ASP CB C 41.326 0.400 1 726 64 64 ASP N N 123.789 0.400 1 727 65 65 ALA H H 8.243 0.020 1 728 65 65 ALA HA H 4.244 0.020 1 729 65 65 ALA HB H 1.354 0.020 1 730 65 65 ALA C C 177.631 0.400 1 731 65 65 ALA CA C 52.723 0.400 1 732 65 65 ALA CB C 19.199 0.400 1 733 65 65 ALA N N 123.310 0.400 1 734 66 66 LEU H H 8.148 0.020 1 735 66 66 LEU HA H 4.370 0.020 1 736 66 66 LEU HB2 H 1.664 0.020 2 737 66 66 LEU HB3 H 1.584 0.020 2 738 66 66 LEU HG H 1.603 0.020 1 739 66 66 LEU HD1 H 0.893 0.020 2 740 66 66 LEU HD2 H 0.847 0.020 2 741 66 66 LEU C C 177.576 0.400 1 742 66 66 LEU CA C 55.011 0.400 1 743 66 66 LEU CB C 42.333 0.400 1 744 66 66 LEU CG C 26.934 0.400 1 745 66 66 LEU CD1 C 24.962 0.400 1 746 66 66 LEU CD2 C 23.316 0.400 1 747 66 66 LEU N N 119.653 0.400 1 748 67 67 SER H H 8.184 0.020 1 749 67 67 SER HA H 4.447 0.020 1 750 67 67 SER HB2 H 3.843 0.020 2 751 67 67 SER HB3 H 3.904 0.020 2 752 67 67 SER C C 174.950 0.400 1 753 67 67 SER CA C 58.405 0.400 1 754 67 67 SER CB C 63.652 0.400 1 755 67 67 SER N N 116.059 0.400 1 756 68 68 THR H H 8.058 0.020 1 757 68 68 THR HA H 4.353 0.020 1 758 68 68 THR HB H 4.268 0.020 1 759 68 68 THR HG2 H 1.165 0.020 1 760 68 68 THR C C 173.563 0.400 1 761 68 68 THR CA C 61.602 0.400 1 762 68 68 THR CB C 69.620 0.400 1 763 68 68 THR CG2 C 21.621 0.400 1 764 68 68 THR N N 114.263 0.400 1 765 69 69 ASN H H 8.082 0.020 1 766 69 69 ASN HA H 4.457 0.020 1 767 69 69 ASN HB2 H 2.760 0.020 2 768 69 69 ASN HB3 H 2.660 0.020 2 769 69 69 ASN HD21 H 7.591 0.020 2 770 69 69 ASN HD22 H 6.893 0.020 2 771 69 69 ASN CA C 54.735 0.400 1 772 69 69 ASN CB C 40.674 0.400 1 773 69 69 ASN N N 125.869 0.400 1 774 69 69 ASN ND2 N 112.977 0.400 1 775 70 70 HIS HA H 4.520 0.020 1 776 70 70 HIS HB2 H 3.154 0.020 2 777 70 70 HIS HB3 H 3.023 0.020 2 778 70 70 HIS HD2 H 7.021 0.020 1 779 70 70 HIS C C 176.152 0.400 1 780 70 70 HIS CA C 56.570 0.400 1 781 70 70 HIS CB C 30.169 0.400 1 782 70 70 HIS CD2 C 119.736 0.400 1 783 71 71 GLY H H 8.411 0.020 1 784 71 71 GLY HA2 H 3.929 0.020 1 785 71 71 GLY HA3 H 3.929 0.020 1 786 71 71 GLY C C 174.062 0.400 1 787 71 71 GLY CA C 45.266 0.400 1 788 71 71 GLY N N 109.337 0.400 1 789 72 72 HIS H H 7.963 0.020 1 790 72 72 HIS HA H 4.647 0.020 1 791 72 72 HIS HB2 H 2.943 0.020 1 792 72 72 HIS HB3 H 2.943 0.020 1 793 72 72 HIS HD2 H 6.928 0.020 1 794 72 72 HIS C C 175.227 0.400 1 795 72 72 HIS CA C 55.750 0.400 1 796 72 72 HIS CB C 31.229 0.400 1 797 72 72 HIS CD2 C 119.771 0.400 1 798 72 72 HIS N N 119.645 0.400 1 799 73 73 LYS H H 8.503 0.020 1 800 73 73 LYS HA H 4.360 0.020 1 801 73 73 LYS HB2 H 1.767 0.020 1 802 73 73 LYS HB3 H 1.767 0.020 1 803 73 73 LYS HG2 H 1.492 0.020 2 804 73 73 LYS HG3 H 1.410 0.020 2 805 73 73 LYS HD2 H 1.652 0.020 1 806 73 73 LYS HD3 H 1.652 0.020 1 807 73 73 LYS HE2 H 2.998 0.020 1 808 73 73 LYS HE3 H 2.998 0.020 1 809 73 73 LYS C C 175.264 0.400 1 810 73 73 LYS CA C 55.877 0.400 1 811 73 73 LYS CB C 32.714 0.400 1 812 73 73 LYS CG C 25.002 0.400 1 813 73 73 LYS CD C 29.086 0.400 1 814 73 73 LYS CE C 41.991 0.400 1 815 73 73 LYS N N 121.171 0.400 1 816 74 74 VAL H H 8.062 0.020 1 817 74 74 VAL HA H 4.675 0.020 1 818 74 74 VAL HB H 1.941 0.020 1 819 74 74 VAL HG1 H 0.781 0.020 2 820 74 74 VAL HG2 H 0.839 0.020 2 821 74 74 VAL C C 176.596 0.400 1 822 74 74 VAL CA C 61.427 0.400 1 823 74 74 VAL CB C 32.540 0.400 1 824 74 74 VAL CG1 C 21.563 0.400 1 825 74 74 VAL CG2 C 21.748 0.400 1 826 74 74 VAL N N 122.485 0.400 1 827 75 75 VAL H H 8.978 0.020 1 828 75 75 VAL HA H 5.344 0.020 1 829 75 75 VAL HB H 2.071 0.020 1 830 75 75 VAL HG1 H 0.749 0.020 2 831 75 75 VAL HG2 H 0.691 0.020 2 832 75 75 VAL CA C 58.470 0.400 1 833 75 75 VAL CB C 35.585 0.400 1 834 75 75 VAL CG1 C 21.574 0.400 1 835 75 75 VAL CG2 C 18.559 0.400 1 836 75 75 VAL N N 119.514 0.400 1 837 76 76 GLU H H 8.956 0.020 1 838 76 76 GLU HA H 4.811 0.020 1 839 76 76 GLU HB2 H 1.981 0.020 2 840 76 76 GLU HB3 H 1.899 0.020 2 841 76 76 GLU HG2 H 2.172 0.020 1 842 76 76 GLU HG3 H 2.172 0.020 1 843 76 76 GLU C C 174.247 0.400 1 844 76 76 GLU CA C 53.671 0.400 1 845 76 76 GLU CB C 34.100 0.400 1 846 76 76 GLU CG C 35.835 0.400 1 847 76 76 GLU N N 116.248 0.400 1 848 77 77 LEU H H 8.482 0.020 1 849 77 77 LEU HA H 5.131 0.020 1 850 77 77 LEU HB2 H 1.587 0.020 2 851 77 77 LEU HB3 H 1.240 0.020 2 852 77 77 LEU HG H 1.560 0.020 1 853 77 77 LEU HD1 H 0.698 0.020 2 854 77 77 LEU HD2 H 0.614 0.020 2 855 77 77 LEU C C 177.409 0.400 1 856 77 77 LEU CA C 54.451 0.400 1 857 77 77 LEU CB C 43.788 0.400 1 858 77 77 LEU CG C 27.887 0.400 1 859 77 77 LEU CD1 C 25.255 0.400 1 860 77 77 LEU CD2 C 24.977 0.400 1 861 77 77 LEU N N 121.160 0.400 1 862 78 78 VAL H H 8.609 0.020 1 863 78 78 VAL HA H 4.461 0.020 1 864 78 78 VAL HB H 1.870 0.020 1 865 78 78 VAL HG1 H 0.661 0.020 2 866 78 78 VAL HG2 H 0.533 0.020 2 867 78 78 VAL C C 172.823 0.400 1 868 78 78 VAL CA C 60.415 0.400 1 869 78 78 VAL CB C 36.059 0.400 1 870 78 78 VAL CG1 C 21.371 0.400 1 871 78 78 VAL CG2 C 20.124 0.400 1 872 78 78 VAL N N 118.985 0.400 1 873 79 79 ALA H H 8.708 0.020 1 874 79 79 ALA HA H 5.920 0.020 1 875 79 79 ALA HB H 1.346 0.020 1 876 79 79 ALA C C 176.318 0.400 1 877 79 79 ALA CA C 50.169 0.400 1 878 79 79 ALA CB C 23.343 0.400 1 879 79 79 ALA N N 125.676 0.400 1 880 80 80 GLU H H 8.898 0.020 1 881 80 80 GLU HA H 4.891 0.020 1 882 80 80 GLU HB2 H 2.505 0.020 2 883 80 80 GLU HB3 H 2.269 0.020 2 884 80 80 GLU HG2 H 2.502 0.020 1 885 80 80 GLU HG3 H 2.502 0.020 1 886 80 80 GLU C C 175.116 0.400 1 887 80 80 GLU CA C 55.283 0.400 1 888 80 80 GLU CB C 35.189 0.400 1 889 80 80 GLU CG C 36.877 0.400 1 890 80 80 GLU N N 118.170 0.400 1 891 81 81 MET H H 9.064 0.020 1 892 81 81 MET HA H 4.406 0.020 1 893 81 81 MET HB2 H 2.632 0.020 2 894 81 81 MET HB3 H 2.555 0.020 2 895 81 81 MET HG2 H 2.161 0.020 2 896 81 81 MET HG3 H 1.992 0.020 2 897 81 81 MET HE H 2.067 0.020 1 898 81 81 MET CA C 56.636 0.400 1 899 81 81 MET CB C 32.054 0.400 1 900 81 81 MET CG C 32.197 0.400 1 901 81 81 MET CE C 16.761 0.400 1 902 81 81 MET N N 122.129 0.400 1 903 82 82 ASP HA H 4.856 0.020 1 904 82 82 ASP HB2 H 2.887 0.020 2 905 82 82 ASP HB3 H 2.728 0.020 2 906 82 82 ASP C C 177.557 0.400 1 907 82 82 ASP CA C 54.195 0.400 1 908 82 82 ASP CB C 42.019 0.400 1 909 83 83 GLY H H 7.928 0.020 1 910 83 83 GLY HA2 H 4.160 0.020 2 911 83 83 GLY HA3 H 4.015 0.020 2 912 83 83 GLY C C 174.451 0.400 1 913 83 83 GLY CA C 46.432 0.400 1 914 83 83 GLY N N 105.622 0.400 1 915 84 84 ILE H H 7.775 0.020 1 916 84 84 ILE HA H 3.825 0.020 1 917 84 84 ILE HB H 1.872 0.020 1 918 84 84 ILE HG12 H 1.418 0.020 2 919 84 84 ILE HG13 H 1.146 0.020 2 920 84 84 ILE HG2 H 0.769 0.020 1 921 84 84 ILE HD1 H 0.818 0.020 1 922 84 84 ILE C C 176.670 0.400 1 923 84 84 ILE CA C 62.807 0.400 1 924 84 84 ILE CB C 37.861 0.400 1 925 84 84 ILE CG1 C 28.115 0.400 1 926 84 84 ILE CG2 C 17.296 0.400 1 927 84 84 ILE CD1 C 12.341 0.400 1 928 84 84 ILE N N 120.701 0.400 1 929 85 85 GLN H H 9.578 0.020 1 930 85 85 GLN HA H 4.154 0.020 1 931 85 85 GLN HB2 H 1.720 0.020 2 932 85 85 GLN HB3 H 1.585 0.020 2 933 85 85 GLN HG2 H 2.084 0.020 2 934 85 85 GLN HG3 H 1.806 0.020 2 935 85 85 GLN HE21 H 7.402 0.020 2 936 85 85 GLN HE22 H 6.762 0.020 2 937 85 85 GLN C C 177.724 0.400 1 938 85 85 GLN CA C 57.307 0.400 1 939 85 85 GLN CB C 28.969 0.400 1 940 85 85 GLN CG C 33.725 0.400 1 941 85 85 GLN N N 122.607 0.400 1 942 85 85 GLN NE2 N 111.621 0.400 1 943 86 86 TYR H H 9.051 0.020 1 944 86 86 TYR HA H 4.351 0.020 1 945 86 86 TYR HB2 H 2.447 0.020 2 946 86 86 TYR HB3 H 2.239 0.020 2 947 86 86 TYR HD1 H 6.913 0.020 1 948 86 86 TYR HD2 H 6.913 0.020 1 949 86 86 TYR HE1 H 6.687 0.020 1 950 86 86 TYR HE2 H 6.687 0.020 1 951 86 86 TYR C C 176.873 0.400 1 952 86 86 TYR CA C 58.290 0.400 1 953 86 86 TYR CB C 37.861 0.400 1 954 86 86 TYR CD1 C 132.752 0.400 1 955 86 86 TYR CD2 C 132.752 0.400 1 956 86 86 TYR CE1 C 117.963 0.400 1 957 86 86 TYR CE2 C 117.963 0.400 1 958 86 86 TYR N N 118.820 0.400 1 959 87 87 GLY H H 7.874 0.020 1 960 87 87 GLY HA2 H 3.779 0.020 2 961 87 87 GLY HA3 H 3.682 0.020 2 962 87 87 GLY C C 173.563 0.400 1 963 87 87 GLY CA C 46.502 0.400 1 964 87 87 GLY N N 108.715 0.400 1 965 88 88 ARG H H 7.701 0.020 1 966 88 88 ARG HA H 4.440 0.020 1 967 88 88 ARG HB2 H 1.893 0.020 2 968 88 88 ARG HB3 H 1.614 0.020 2 969 88 88 ARG HG2 H 1.542 0.020 1 970 88 88 ARG HG3 H 1.542 0.020 1 971 88 88 ARG HD2 H 3.153 0.020 1 972 88 88 ARG HD3 H 3.153 0.020 1 973 88 88 ARG C C 175.856 0.400 1 974 88 88 ARG CA C 55.068 0.400 1 975 88 88 ARG CB C 31.130 0.400 1 976 88 88 ARG CG C 27.029 0.400 1 977 88 88 ARG CD C 43.296 0.400 1 978 88 88 ARG N N 118.586 0.400 1 979 89 89 SER H H 7.828 0.020 1 980 89 89 SER HA H 4.387 0.020 1 981 89 89 SER HB2 H 3.840 0.020 2 982 89 89 SER HB3 H 3.880 0.020 2 983 89 89 SER C C 175.597 0.400 1 984 89 89 SER CA C 58.275 0.400 1 985 89 89 SER CB C 63.454 0.400 1 986 89 89 SER N N 115.844 0.400 1 987 90 90 GLY H H 8.686 0.020 1 988 90 90 GLY HA2 H 4.092 0.020 2 989 90 90 GLY HA3 H 3.933 0.020 2 990 90 90 GLY C C 174.284 0.400 1 991 90 90 GLY CA C 45.780 0.400 1 992 90 90 GLY N N 112.660 0.400 1 993 91 91 ILE H H 7.843 0.020 1 994 91 91 ILE HA H 4.256 0.020 1 995 91 91 ILE HB H 2.000 0.020 1 996 91 91 ILE HG12 H 1.452 0.020 2 997 91 91 ILE HG13 H 1.244 0.020 2 998 91 91 ILE HG2 H 0.972 0.020 1 999 91 91 ILE HD1 H 0.883 0.020 1 1000 91 91 ILE C C 175.763 0.400 1 1001 91 91 ILE CA C 61.322 0.400 1 1002 91 91 ILE CB C 38.554 0.400 1 1003 91 91 ILE CG1 C 27.404 0.400 1 1004 91 91 ILE CG2 C 17.985 0.400 1 1005 91 91 ILE CD1 C 13.287 0.400 1 1006 91 91 ILE N N 117.173 0.400 1 1007 92 92 THR H H 7.902 0.020 1 1008 92 92 THR HA H 4.409 0.020 1 1009 92 92 THR HB H 4.087 0.020 1 1010 92 92 THR HG2 H 1.012 0.020 1 1011 92 92 THR C C 174.118 0.400 1 1012 92 92 THR CA C 62.482 0.400 1 1013 92 92 THR CB C 68.804 0.400 1 1014 92 92 THR CG2 C 23.853 0.400 1 1015 92 92 THR N N 119.011 0.400 1 1016 93 93 LEU H H 8.924 0.020 1 1017 93 93 LEU HA H 4.438 0.020 1 1018 93 93 LEU HB2 H 1.598 0.020 2 1019 93 93 LEU HB3 H 1.434 0.020 2 1020 93 93 LEU HG H 1.694 0.020 1 1021 93 93 LEU HD1 H 0.813 0.020 2 1022 93 93 LEU HD2 H 0.779 0.020 2 1023 93 93 LEU C C 177.668 0.400 1 1024 93 93 LEU CA C 56.359 0.400 1 1025 93 93 LEU CB C 42.811 0.400 1 1026 93 93 LEU CG C 28.677 0.400 1 1027 93 93 LEU CD1 C 25.432 0.400 1 1028 93 93 LEU CD2 C 24.265 0.400 1 1029 93 93 LEU N N 125.636 0.400 1 1030 94 94 GLY H H 7.446 0.020 1 1031 94 94 GLY HA2 H 4.346 0.020 2 1032 94 94 GLY HA3 H 3.923 0.020 2 1033 94 94 GLY C C 169.680 0.400 1 1034 94 94 GLY CA C 45.286 0.400 1 1035 94 94 GLY N N 103.803 0.400 1 1036 95 95 VAL H H 9.072 0.020 1 1037 95 95 VAL HA H 4.711 0.020 1 1038 95 95 VAL HB H 1.669 0.020 1 1039 95 95 VAL HG1 H 0.905 0.020 2 1040 95 95 VAL HG2 H 0.669 0.020 2 1041 95 95 VAL C C 174.377 0.400 1 1042 95 95 VAL CA C 59.969 0.400 1 1043 95 95 VAL CB C 34.859 0.400 1 1044 95 95 VAL CG1 C 22.105 0.400 1 1045 95 95 VAL CG2 C 22.303 0.400 1 1046 95 95 VAL N N 120.719 0.400 1 1047 96 96 LEU H H 9.073 0.020 1 1048 96 96 LEU HA H 5.301 0.020 1 1049 96 96 LEU HB2 H 1.707 0.020 2 1050 96 96 LEU HB3 H 1.500 0.020 2 1051 96 96 LEU HG H 1.618 0.020 1 1052 96 96 LEU HD1 H 0.806 0.020 2 1053 96 96 LEU HD2 H 0.796 0.020 2 1054 96 96 LEU C C 175.005 0.400 1 1055 96 96 LEU CA C 53.403 0.400 1 1056 96 96 LEU CB C 43.405 0.400 1 1057 96 96 LEU CG C 26.762 0.400 1 1058 96 96 LEU CD1 C 26.387 0.400 1 1059 96 96 LEU CD2 C 23.381 0.400 1 1060 96 96 LEU N N 126.495 0.400 1 1061 97 97 VAL H H 8.299 0.020 1 1062 97 97 VAL HA H 3.988 0.020 1 1063 97 97 VAL HB H 2.204 0.020 1 1064 97 97 VAL HG1 H 0.633 0.020 2 1065 97 97 VAL HG2 H 0.474 0.020 2 1066 97 97 VAL CA C 57.997 0.400 1 1067 97 97 VAL CB C 33.296 0.400 1 1068 97 97 VAL CG1 C 23.443 0.400 1 1069 97 97 VAL CG2 C 17.875 0.400 1 1070 97 97 VAL N N 113.185 0.400 1 1071 98 98 PRO HA H 4.141 0.020 1 1072 98 98 PRO HB2 H 1.926 0.020 2 1073 98 98 PRO HB3 H 1.619 0.020 2 1074 98 98 PRO HG2 H 1.608 0.020 2 1075 98 98 PRO HG3 H 1.011 0.020 2 1076 98 98 PRO HD2 H 1.322 0.020 2 1077 98 98 PRO HD3 H 3.229 0.020 2 1078 98 98 PRO C C 173.378 0.400 1 1079 98 98 PRO CA C 63.396 0.400 1 1080 98 98 PRO CB C 31.398 0.400 1 1081 98 98 PRO CG C 27.433 0.400 1 1082 98 98 PRO CD C 48.455 0.400 1 1083 99 99 HIS H H 8.088 0.020 1 1084 99 99 HIS HA H 5.108 0.020 1 1085 99 99 HIS HB2 H 2.877 0.020 2 1086 99 99 HIS HB3 H 2.467 0.020 2 1087 99 99 HIS HD2 H 8.008 0.020 1 1088 99 99 HIS C C 175.745 0.400 1 1089 99 99 HIS CA C 52.905 0.400 1 1090 99 99 HIS CB C 32.912 0.400 1 1091 99 99 HIS CD2 C 118.499 0.400 1 1092 99 99 HIS N N 120.642 0.400 1 1093 100 100 VAL H H 10.415 0.020 1 1094 100 100 VAL HA H 4.334 0.020 1 1095 100 100 VAL HB H 2.285 0.020 1 1096 100 100 VAL HG1 H 0.880 0.020 2 1097 100 100 VAL HG2 H 0.930 0.020 2 1098 100 100 VAL C C 175.468 0.400 1 1099 100 100 VAL CA C 60.188 0.400 1 1100 100 100 VAL CB C 31.625 0.400 1 1101 100 100 VAL CG1 C 21.749 0.400 1 1102 100 100 VAL CG2 C 20.476 0.400 1 1103 100 100 VAL N N 130.868 0.400 1 1104 101 101 GLY H H 6.564 0.020 1 1105 101 101 GLY HA2 H 4.116 0.020 2 1106 101 101 GLY HA3 H 3.437 0.020 2 1107 101 101 GLY C C 174.820 0.400 1 1108 101 101 GLY CA C 45.114 0.400 1 1109 101 101 GLY N N 107.085 0.400 1 1110 102 102 GLU H H 10.739 0.020 1 1111 102 102 GLU HA H 4.154 0.020 1 1112 102 102 GLU HB2 H 2.068 0.020 2 1113 102 102 GLU HB3 H 2.023 0.020 2 1114 102 102 GLU HG2 H 2.527 0.020 2 1115 102 102 GLU HG3 H 2.253 0.020 2 1116 102 102 GLU C C 177.631 0.400 1 1117 102 102 GLU CA C 58.722 0.400 1 1118 102 102 GLU CB C 29.550 0.400 1 1119 102 102 GLU CG C 36.962 0.400 1 1120 102 102 GLU N N 124.857 0.400 1 1121 103 103 THR H H 9.224 0.020 1 1122 103 103 THR HA H 4.442 0.020 1 1123 103 103 THR HB H 4.097 0.020 1 1124 103 103 THR HG2 H 1.256 0.020 1 1125 103 103 THR CA C 61.293 0.400 1 1126 103 103 THR CB C 69.579 0.400 1 1127 103 103 THR CG2 C 21.497 0.400 1 1128 103 103 THR N N 122.861 0.400 1 1129 104 104 PRO HA H 4.538 0.020 1 1130 104 104 PRO HB2 H 1.832 0.020 2 1131 104 104 PRO HB3 H 1.562 0.020 2 1132 104 104 PRO HG2 H 2.131 0.020 2 1133 104 104 PRO HG3 H 1.478 0.020 2 1134 104 104 PRO HD2 H 4.607 0.020 2 1135 104 104 PRO HD3 H 3.663 0.020 2 1136 104 104 PRO C C 177.280 0.400 1 1137 104 104 PRO CA C 61.980 0.400 1 1138 104 104 PRO CB C 32.877 0.400 1 1139 104 104 PRO CG C 28.202 0.400 1 1140 104 104 PRO CD C 51.604 0.400 1 1141 105 105 ILE H H 8.859 0.020 1 1142 105 105 ILE HA H 4.339 0.020 1 1143 105 105 ILE HB H 1.934 0.020 1 1144 105 105 ILE HG12 H 0.895 0.020 2 1145 105 105 ILE HG13 H 1.149 0.020 2 1146 105 105 ILE HG2 H 0.912 0.020 1 1147 105 105 ILE HD1 H 0.763 0.020 1 1148 105 105 ILE C C 175.505 0.400 1 1149 105 105 ILE CA C 60.981 0.400 1 1150 105 105 ILE CB C 38.880 0.400 1 1151 105 105 ILE CG1 C 26.262 0.400 1 1152 105 105 ILE CG2 C 18.351 0.400 1 1153 105 105 ILE CD1 C 13.738 0.400 1 1154 105 105 ILE N N 115.766 0.400 1 1155 106 106 ALA H H 7.743 0.020 1 1156 106 106 ALA HA H 4.392 0.020 1 1157 106 106 ALA HB H 1.364 0.020 1 1158 106 106 ALA C C 173.896 0.400 1 1159 106 106 ALA CA C 51.002 0.400 1 1160 106 106 ALA CB C 20.668 0.400 1 1161 106 106 ALA N N 121.062 0.400 1 1162 107 107 TYR H H 8.431 0.020 1 1163 107 107 TYR HA H 5.194 0.020 1 1164 107 107 TYR HB2 H 2.624 0.020 1 1165 107 107 TYR HB3 H 2.624 0.020 1 1166 107 107 TYR HD1 H 6.832 0.020 1 1167 107 107 TYR HD2 H 6.832 0.020 1 1168 107 107 TYR HE1 H 6.706 0.020 1 1169 107 107 TYR HE2 H 6.706 0.020 1 1170 107 107 TYR C C 175.579 0.400 1 1171 107 107 TYR CA C 57.659 0.400 1 1172 107 107 TYR CB C 41.864 0.400 1 1173 107 107 TYR CD1 C 132.989 0.400 1 1174 107 107 TYR CD2 C 132.989 0.400 1 1175 107 107 TYR CE1 C 117.444 0.400 1 1176 107 107 TYR CE2 C 117.444 0.400 1 1177 107 107 TYR N N 116.456 0.400 1 1178 108 108 ARG H H 9.279 0.020 1 1179 108 108 ARG HA H 4.706 0.020 1 1180 108 108 ARG HB2 H 1.636 0.020 2 1181 108 108 ARG HB3 H 1.438 0.020 2 1182 108 108 ARG HG2 H 1.417 0.020 2 1183 108 108 ARG HG3 H 1.354 0.020 2 1184 108 108 ARG HD2 H 3.221 0.020 2 1185 108 108 ARG HD3 H 3.061 0.020 2 1186 108 108 ARG C C 174.414 0.400 1 1187 108 108 ARG CA C 53.060 0.400 1 1188 108 108 ARG CB C 32.079 0.400 1 1189 108 108 ARG CG C 26.742 0.400 1 1190 108 108 ARG CD C 42.270 0.400 1 1191 108 108 ARG N N 121.644 0.400 1 1192 109 109 ASN H H 8.824 0.020 1 1193 109 109 ASN HA H 5.622 0.020 1 1194 109 109 ASN HB2 H 2.629 0.020 2 1195 109 109 ASN HB3 H 2.433 0.020 2 1196 109 109 ASN HD21 H 7.443 0.020 2 1197 109 109 ASN HD22 H 6.893 0.020 2 1198 109 109 ASN C C 175.153 0.400 1 1199 109 109 ASN CA C 52.624 0.400 1 1200 109 109 ASN CB C 39.049 0.400 1 1201 109 109 ASN N N 125.340 0.400 1 1202 109 109 ASN ND2 N 113.089 0.400 1 1203 110 110 VAL H H 8.815 0.020 1 1204 110 110 VAL HA H 4.784 0.020 1 1205 110 110 VAL HB H 2.093 0.020 1 1206 110 110 VAL HG1 H 0.694 0.020 2 1207 110 110 VAL HG2 H 0.661 0.020 2 1208 110 110 VAL C C 173.119 0.400 1 1209 110 110 VAL CA C 58.946 0.400 1 1210 110 110 VAL CB C 35.981 0.400 1 1211 110 110 VAL CG1 C 21.650 0.400 1 1212 110 110 VAL CG2 C 18.647 0.400 1 1213 110 110 VAL N N 116.919 0.400 1 1214 111 111 LEU H H 8.500 0.020 1 1215 111 111 LEU HA H 5.051 0.020 1 1216 111 111 LEU HB2 H 1.511 0.020 2 1217 111 111 LEU HB3 H 1.203 0.020 2 1218 111 111 LEU HG H 1.360 0.020 1 1219 111 111 LEU HD1 H 0.646 0.020 2 1220 111 111 LEU HD2 H 0.617 0.020 2 1221 111 111 LEU C C 174.543 0.400 1 1222 111 111 LEU CA C 52.973 0.400 1 1223 111 111 LEU CB C 43.451 0.400 1 1224 111 111 LEU CG C 27.099 0.400 1 1225 111 111 LEU CD1 C 24.209 0.400 1 1226 111 111 LEU CD2 C 24.902 0.400 1 1227 111 111 LEU N N 122.936 0.400 1 1228 112 112 LEU H H 8.974 0.020 1 1229 112 112 LEU HA H 4.687 0.020 1 1230 112 112 LEU HB2 H 1.847 0.020 2 1231 112 112 LEU HB3 H 1.166 0.020 2 1232 112 112 LEU HG H 1.607 0.020 1 1233 112 112 LEU HD1 H 0.803 0.020 2 1234 112 112 LEU HD2 H 0.841 0.020 2 1235 112 112 LEU C C 176.355 0.400 1 1236 112 112 LEU CA C 53.502 0.400 1 1237 112 112 LEU CB C 44.692 0.400 1 1238 112 112 LEU CG C 27.015 0.400 1 1239 112 112 LEU CD1 C 26.236 0.400 1 1240 112 112 LEU CD2 C 24.418 0.400 1 1241 112 112 LEU N N 124.956 0.400 1 1242 113 113 ARG H H 8.899 0.020 1 1243 113 113 ARG HA H 4.321 0.020 1 1244 113 113 ARG HB2 H 1.798 0.020 2 1245 113 113 ARG HB3 H 1.657 0.020 2 1246 113 113 ARG HG2 H 1.593 0.020 1 1247 113 113 ARG HG3 H 1.593 0.020 1 1248 113 113 ARG HD2 H 3.152 0.020 1 1249 113 113 ARG HD3 H 3.152 0.020 1 1250 113 113 ARG C C 175.745 0.400 1 1251 113 113 ARG CA C 56.721 0.400 1 1252 113 113 ARG CB C 30.734 0.400 1 1253 113 113 ARG CG C 27.221 0.400 1 1254 113 113 ARG CD C 43.555 0.400 1 1255 113 113 ARG N N 126.420 0.400 1 1256 114 114 LYS H H 8.618 0.020 1 1257 114 114 LYS HA H 4.346 0.020 1 1258 114 114 LYS HB2 H 1.757 0.020 2 1259 114 114 LYS HB3 H 1.631 0.020 2 1260 114 114 LYS HG2 H 1.358 0.020 1 1261 114 114 LYS HG3 H 1.358 0.020 1 1262 114 114 LYS HD2 H 1.600 0.020 1 1263 114 114 LYS HD3 H 1.600 0.020 1 1264 114 114 LYS HE2 H 2.912 0.020 1 1265 114 114 LYS HE3 H 2.912 0.020 1 1266 114 114 LYS C C 175.079 0.400 1 1267 114 114 LYS CA C 56.186 0.400 1 1268 114 114 LYS CB C 33.671 0.400 1 1269 114 114 LYS CG C 24.728 0.400 1 1270 114 114 LYS CD C 29.315 0.400 1 1271 114 114 LYS CE C 41.861 0.400 1 1272 114 114 LYS N N 126.157 0.400 1 1273 115 115 ASN H H 8.242 0.020 1 1274 115 115 ASN HA H 4.426 0.020 1 1275 115 115 ASN HB2 H 2.827 0.020 2 1276 115 115 ASN HB3 H 2.691 0.020 2 1277 115 115 ASN HD21 H 7.652 0.020 2 1278 115 115 ASN HD22 H 6.939 0.020 2 1279 115 115 ASN C C 174.876 0.400 1 1280 115 115 ASN CA C 54.882 0.400 1 1281 115 115 ASN CB C 40.343 0.400 1 1282 115 115 ASN N N 126.592 0.400 1 1283 115 115 ASN ND2 N 113.089 0.400 1 1284 116 116 GLY H H 7.992 0.020 1 1285 116 116 GLY HA2 H 3.727 0.020 1 1286 116 116 GLY HA3 H 3.727 0.020 1 1287 116 116 GLY CA C 46.275 0.400 1 1288 116 116 GLY N N 120.816 0.400 1 stop_ save_