data_16664 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N resonance assignments for lysozyme from bacteriophage lambda ; _BMRB_accession_number 16664 _BMRB_flat_file_name bmr16664.str _Entry_type original _Submission_date 2010-01-04 _Accession_date 2010-01-04 _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 'Di Paolo' Alexandre . . 2 Matagne Andre . . 3 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 315 "13C chemical shifts" 302 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-05 original author . stop_ _Original_release_date 2010-05-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 13C, and 15N resonance assignments for lysozyme from bacteriophage lambda.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20300891 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Di Paolo' Alexandre . . 2 Duval Valerie . . 3 Matagne Andre . . 4 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 111 _Page_last 114 _Year 2010 _Details . loop_ _Keyword 'backbone resonance assignments' 'bacteriophage lambda' 'heteronuclear NMR' lysozyme 'protein folding' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'lambda lysozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lambda lysozyme' $lambda_lysozyme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Lysozyme hydrolyzes the -1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lambda_lysozyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lambda_lysozyme _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'lysozyme hydrolyzes the 1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MVEINNQRKAFLDMLAWSEG TDNGRQKTRNHGYDVIVGGE LFTDYSDHPRKLVTLNPKLK STGAGRYQLLSRWWDAYRKQ LGLKDFSPKSQDAVALQQIK ERGALPMIDRGDIRQAIDRC SNIWASLPGAGYGQFEHKAD SLIAKFKEAGGTVREIDV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLU 4 ILE 5 ASN 6 ASN 7 GLN 8 ARG 9 LYS 10 ALA 11 PHE 12 LEU 13 ASP 14 MET 15 LEU 16 ALA 17 TRP 18 SER 19 GLU 20 GLY 21 THR 22 ASP 23 ASN 24 GLY 25 ARG 26 GLN 27 LYS 28 THR 29 ARG 30 ASN 31 HIS 32 GLY 33 TYR 34 ASP 35 VAL 36 ILE 37 VAL 38 GLY 39 GLY 40 GLU 41 LEU 42 PHE 43 THR 44 ASP 45 TYR 46 SER 47 ASP 48 HIS 49 PRO 50 ARG 51 LYS 52 LEU 53 VAL 54 THR 55 LEU 56 ASN 57 PRO 58 LYS 59 LEU 60 LYS 61 SER 62 THR 63 GLY 64 ALA 65 GLY 66 ARG 67 TYR 68 GLN 69 LEU 70 LEU 71 SER 72 ARG 73 TRP 74 TRP 75 ASP 76 ALA 77 TYR 78 ARG 79 LYS 80 GLN 81 LEU 82 GLY 83 LEU 84 LYS 85 ASP 86 PHE 87 SER 88 PRO 89 LYS 90 SER 91 GLN 92 ASP 93 ALA 94 VAL 95 ALA 96 LEU 97 GLN 98 GLN 99 ILE 100 LYS 101 GLU 102 ARG 103 GLY 104 ALA 105 LEU 106 PRO 107 MET 108 ILE 109 ASP 110 ARG 111 GLY 112 ASP 113 ILE 114 ARG 115 GLN 116 ALA 117 ILE 118 ASP 119 ARG 120 CYS 121 SER 122 ASN 123 ILE 124 TRP 125 ALA 126 SER 127 LEU 128 PRO 129 GLY 130 ALA 131 GLY 132 TYR 133 GLY 134 GLN 135 PHE 136 GLU 137 HIS 138 LYS 139 ALA 140 ASP 141 SER 142 LEU 143 ILE 144 ALA 145 LYS 146 PHE 147 LYS 148 GLU 149 ALA 150 GLY 151 GLY 152 THR 153 VAL 154 ARG 155 GLU 156 ILE 157 ASP 158 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 19127 lambda_lysozyme 100.00 158 100.00 100.00 1.94e-112 PDB 1AM7 "Lysozyme From Bacteriophage Lambda" 100.00 158 97.47 97.47 5.04e-108 PDB 1D9U "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasacharide" 97.47 154 100.00 100.00 1.91e-109 PDB 3D3D "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasaccharide" 97.47 154 100.00 100.00 1.91e-109 DBJ BAI26565 "putative endolysin [Escherichia coli O26:H11 str. 11368]" 100.00 158 98.73 99.37 2.83e-111 EMBL CAP75477 "Lysin (EC 32117) [Escherichia coli LF82]" 91.77 145 97.93 99.31 5.87e-100 EMBL CAQ31245 "enterobacteria phage lambda, endolysin [Escherichia coli BL21(DE3)]" 100.00 158 100.00 100.00 1.94e-112 EMBL CAR03799 "Lysozyme (Muramidase) (Endolysin) [Escherichia coli S88]" 100.00 158 98.10 99.37 1.31e-110 EMBL CBG33651 "phage endolysin [Escherichia coli 042]" 100.00 158 98.10 99.37 3.64e-111 EMBL CCK47619 "lysozyme [Escherichia coli chi7122]" 100.00 158 99.37 99.37 7.62e-112 GB AAA96598 "R (cell lysis;158) [Enterobacteria phage lambda]" 100.00 158 100.00 100.00 1.94e-112 GB AAF30387 "lysin [Enterobacteria phage HK022]" 100.00 158 98.10 98.73 1.68e-110 GB AAF31145 "lysin [Enterobacteria phage HK97]" 100.00 158 98.73 99.37 2.83e-111 GB AAK28884 "lysozyme [Salmonella phage HK620]" 100.00 158 98.73 99.37 2.83e-111 GB AAQ12247 "gene 62 protein [Shigella phage Sf6]" 100.00 158 98.10 98.73 1.26e-110 PRF 711077A endolysin 100.00 157 97.47 99.37 8.58e-109 REF NP_037696 "lysin [Enterobacteria phage HK022]" 100.00 158 98.10 98.73 1.68e-110 REF NP_037753 "lysin [Enterobacteria phage HK97]" 100.00 158 98.73 99.37 2.83e-111 REF NP_040645 "endolysin [Enterobacteria phage lambda]" 100.00 158 100.00 100.00 1.94e-112 REF NP_112069 "lysozyme [Enterobacteria phage HK620]" 100.00 158 98.73 99.37 2.83e-111 REF NP_958236 "gene 62 protein [Enterobacteria phage Sf6]" 100.00 158 98.10 98.73 1.26e-110 SP P03706 "RecName: Full=Endolysin; AltName: Full=Lysis protein; AltName: Full=Lysozyme; AltName: Full=Muramidase; AltName: Full=Transglyc" 100.00 158 100.00 100.00 1.94e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lambda_lysozyme 'Bacteriophage lambda' 10710 Viruses . 'Lambda-like viruses' 'Enterobacteria phage lambda' 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 $lambda_lysozyme 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 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 $lambda_lysozyme 1 mM '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lambda_lysozyme 1 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750_MHz _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model home-built _Field_strength 750 _Details . save_ save_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model home-built _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_(H)C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'no added buffer or salt' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.45 0.05 pH pressure 1 . atm temperature 293 0.5 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 water C 13 protons ppm 4.80 internal indirect . . . 0.251449530 water H 1 protons ppm 4.80 internal direct . . . 1.0 water N 15 protons ppm 4.80 internal 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_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HNCO' '3D (H)C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'lambda lysozyme' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.16 0.045 1 2 1 1 MET C C 172.37 0.05 1 3 1 1 MET CA C 55.06 0.10 1 4 2 2 VAL H H 8.745 0.01 1 5 2 2 VAL HA H 3.89 0.045 1 6 2 2 VAL C C 174.91 0.05 1 7 2 2 VAL CA C 63.18 0.10 1 8 2 2 VAL N N 125.392 0.06 1 9 3 3 GLU H H 8.585 0.01 1 10 3 3 GLU HA H 4.23 0.045 1 11 3 3 GLU C C 175.77 0.05 1 12 3 3 GLU CA C 56.26 0.10 1 13 3 3 GLU N N 126.548 0.06 1 14 4 4 ILE H H 8.545 0.01 1 15 4 4 ILE HA H 3.95 0.045 1 16 4 4 ILE C C 175.37 0.05 1 17 4 4 ILE CA C 60.95 0.10 1 18 4 4 ILE N N 122.704 0.06 1 19 5 5 ASN H H 6.963 0.01 1 20 5 5 ASN HA H 4.65 0.045 1 21 5 5 ASN C C 175.37 0.05 1 22 5 5 ASN CA C 51.98 0.10 1 23 5 5 ASN N N 120.191 0.06 1 24 6 6 ASN H H 8.780 0.01 1 25 6 6 ASN HA H 4.80 0.045 1 26 6 6 ASN C C 177.94 0.05 1 27 6 6 ASN CA C 57.33 0.10 1 28 6 6 ASN N N 117.201 0.06 1 29 7 7 GLN H H 8.022 0.01 1 30 7 7 GLN HA H 4.17 0.045 1 31 7 7 GLN C C 177.79 0.05 1 32 7 7 GLN CA C 58.53 0.10 1 33 7 7 GLN N N 119.910 0.06 1 34 8 8 ARG H H 8.642 0.01 1 35 8 8 ARG HA H 3.86 0.045 1 36 8 8 ARG C C 177.73 0.05 1 37 8 8 ARG CA C 59.86 0.10 1 38 8 8 ARG N N 118.238 0.06 1 39 9 9 LYS H H 8.712 0.01 1 40 9 9 LYS HA H 3.86 0.045 1 41 9 9 LYS C C 177.89 0.05 1 42 9 9 LYS CA C 59.80 0.10 1 43 9 9 LYS N N 119.540 0.06 1 44 10 10 ALA H H 7.626 0.01 1 45 10 10 ALA HA H 3.92 0.045 1 46 10 10 ALA C C 179.24 0.05 1 47 10 10 ALA CA C 55.08 0.10 1 48 10 10 ALA N N 120.258 0.06 1 49 11 11 PHE H H 8.149 0.01 1 50 11 11 PHE HA H 4.18 0.045 1 51 11 11 PHE C C 177.07 0.05 1 52 11 11 PHE CA C 62.95 0.10 1 53 11 11 PHE N N 119.499 0.06 1 54 12 12 LEU H H 8.181 0.01 1 55 12 12 LEU HA H 3.85 0.045 1 56 12 12 LEU C C 179.13 0.05 1 57 12 12 LEU CA C 58.39 0.10 1 58 12 12 LEU N N 118.923 0.06 1 59 13 13 ASP H H 8.562 0.01 1 60 13 13 ASP HA H 4.30 0.045 1 61 13 13 ASP C C 179.67 0.05 1 62 13 13 ASP CA C 57.81 0.10 1 63 13 13 ASP N N 120.760 0.06 1 64 14 14 MET H H 8.344 0.01 1 65 14 14 MET HA H 3.72 0.045 1 66 14 14 MET C C 177.51 0.05 1 67 14 14 MET CA C 59.63 0.10 1 68 14 14 MET N N 123.466 0.06 1 69 15 15 LEU H H 8.512 0.01 1 70 15 15 LEU HA H 3.63 0.045 1 71 15 15 LEU C C 177.85 0.05 1 72 15 15 LEU CA C 57.58 0.10 1 73 15 15 LEU N N 122.148 0.06 1 74 16 16 ALA H H 8.458 0.01 1 75 16 16 ALA HA H 3.92 0.045 1 76 16 16 ALA C C 180.08 0.05 1 77 16 16 ALA CA C 54.23 0.10 1 78 16 16 ALA N N 121.128 0.06 1 79 17 17 TRP H H 7.800 0.01 1 80 17 17 TRP HA H 3.85 0.045 1 81 17 17 TRP C C 179.09 0.05 1 82 17 17 TRP CA C 62.15 0.10 1 83 17 17 TRP N N 119.246 0.06 1 84 18 18 SER H H 8.651 0.01 1 85 18 18 SER HA H 4.26 0.045 1 86 18 18 SER C C 178.05 0.05 1 87 18 18 SER CA C 61.70 0.10 1 88 18 18 SER N N 116.680 0.06 1 89 19 19 GLU H H 8.841 0.01 1 90 19 19 GLU HA H 3.90 0.045 1 91 19 19 GLU C C 176.59 0.05 1 92 19 19 GLU CA C 56.72 0.10 1 93 19 19 GLU N N 114.809 0.06 1 94 20 20 GLY H H 7.418 0.01 1 95 20 20 GLY HA2 H 3.87 0.045 2 96 20 20 GLY HA3 H 3.32 0.045 2 97 20 20 GLY C C 173.26 0.05 1 98 20 20 GLY CA C 45.55 0.10 1 99 20 20 GLY N N 106.078 0.06 1 100 21 21 THR H H 7.925 0.01 1 101 21 21 THR HA H 3.99 0.045 1 102 21 21 THR C C 174.90 0.05 1 103 21 21 THR CA C 62.81 0.10 1 104 21 21 THR N N 109.060 0.06 1 105 22 22 ASP H H 6.530 0.01 1 106 22 22 ASP HA H 4.76 0.045 1 107 22 22 ASP C C 174.85 0.05 1 108 22 22 ASP CA C 51.06 0.10 1 109 22 22 ASP N N 121.198 0.06 1 110 23 23 ASN H H 8.140 0.01 1 111 23 23 ASN HA H 5.07 0.045 1 112 23 23 ASN C C 176.56 0.05 1 113 23 23 ASN CA C 51.51 0.10 1 114 23 23 ASN N N 118.060 0.06 1 115 24 24 GLY H H 8.787 0.01 1 116 24 24 GLY HA2 H 4.10 0.045 2 117 24 24 GLY HA3 H 3.72 0.045 2 118 24 24 GLY C C 173.33 0.05 1 119 24 24 GLY CA C 45.92 0.10 1 120 24 24 GLY N N 109.416 0.06 1 121 25 25 ARG H H 7.751 0.01 1 122 25 25 ARG HA H 4.34 0.045 1 123 25 25 ARG C C 176.13 0.05 1 124 25 25 ARG CA C 57.05 0.10 1 125 25 25 ARG N N 119.317 0.06 1 126 26 26 GLN H H 8.223 0.01 1 127 26 26 GLN HA H 4.08 0.045 1 128 26 26 GLN C C 176.96 0.05 1 129 26 26 GLN CA C 55.07 0.10 1 130 26 26 GLN N N 122.617 0.06 1 131 27 27 LYS H H 8.869 0.01 1 132 27 27 LYS HA H 4.13 0.045 1 133 27 27 LYS C C 174.83 0.05 1 134 27 27 LYS CA C 57.20 0.10 1 135 27 27 LYS N N 132.530 0.06 1 136 28 28 THR H H 7.971 0.01 1 137 28 28 THR HA H 4.63 0.045 1 138 28 28 THR C C 172.81 0.05 1 139 28 28 THR CA C 60.99 0.10 1 140 28 28 THR N N 114.009 0.06 1 141 29 29 ARG H H 10.233 0.01 1 142 29 29 ARG HA H 4.55 0.045 1 143 29 29 ARG C C 176.85 0.05 1 144 29 29 ARG CA C 55.51 0.10 1 145 29 29 ARG N N 128.448 0.06 1 146 30 30 ASN H H 8.715 0.01 1 147 30 30 ASN HA H 4.75 0.045 1 148 30 30 ASN C C 173.30 0.05 1 149 30 30 ASN CA C 52.65 0.10 1 150 30 30 ASN N N 117.319 0.06 1 151 31 31 HIS H H 9.224 0.01 1 152 31 31 HIS HA H 3.77 0.045 1 153 31 31 HIS C C 172.09 0.05 1 154 31 31 HIS CA C 57.20 0.10 1 155 31 31 HIS N N 116.605 0.06 1 156 32 32 GLY H H 9.317 0.01 1 157 32 32 GLY HA2 H 3.79 0.045 2 158 32 32 GLY HA3 H 3.52 0.045 2 159 32 32 GLY C C 174.68 0.05 1 160 32 32 GLY CA C 45.95 0.10 1 161 32 32 GLY N N 106.006 0.06 1 162 33 33 TYR H H 8.043 0.01 1 163 33 33 TYR HA H 4.13 0.045 1 164 33 33 TYR C C 173.14 0.05 1 165 33 33 TYR CA C 62.01 0.10 1 166 33 33 TYR N N 116.730 0.06 1 167 34 34 ASP H H 8.906 0.01 1 168 34 34 ASP HA H 3.22 0.045 1 169 34 34 ASP C C 175.14 0.05 1 170 34 34 ASP CA C 52.27 0.10 1 171 34 34 ASP N N 113.855 0.06 1 172 35 35 VAL H H 6.582 0.01 1 173 35 35 VAL HA H 4.03 0.045 1 174 35 35 VAL C C 176.25 0.05 1 175 35 35 VAL CA C 63.83 0.10 1 176 35 35 VAL N N 119.263 0.06 1 177 36 36 ILE H H 9.458 0.01 1 178 36 36 ILE HA H 4.21 0.045 1 179 36 36 ILE C C 174.33 0.05 1 180 36 36 ILE CA C 61.59 0.10 1 181 36 36 ILE N N 131.544 0.06 1 182 37 37 VAL H H 8.216 0.01 1 183 37 37 VAL HA H 3.97 0.045 1 184 37 37 VAL C C 174.55 0.05 1 185 37 37 VAL CA C 64.17 0.10 1 186 37 37 VAL N N 127.607 0.06 1 187 38 38 GLY H H 8.538 0.01 1 188 38 38 GLY HA2 H 4.45 0.045 2 189 38 38 GLY HA3 H 3.49 0.045 2 190 38 38 GLY C C 176.74 0.05 1 191 38 38 GLY CA C 44.85 0.10 1 192 38 38 GLY N N 115.109 0.06 1 193 39 39 GLY H H 9.092 0.01 1 194 39 39 GLY HA2 H 4.49 0.045 2 195 39 39 GLY HA3 H 3.80 0.045 2 196 39 39 GLY C C 175.05 0.05 1 197 39 39 GLY CA C 45.94 0.10 1 198 39 39 GLY N N 108.592 0.06 1 199 40 40 GLU H H 7.914 0.01 1 200 40 40 GLU HA H 4.27 0.045 1 201 40 40 GLU C C 173.26 0.05 1 202 40 40 GLU CA C 56.71 0.10 1 203 40 40 GLU N N 121.140 0.06 1 204 41 41 LEU H H 8.043 0.01 1 205 41 41 LEU HA H 5.66 0.045 1 206 41 41 LEU C C 178.91 0.05 1 207 41 41 LEU CA C 53.19 0.10 1 208 41 41 LEU N N 116.924 0.06 1 209 42 42 PHE H H 8.713 0.01 1 210 42 42 PHE HA H 5.18 0.045 1 211 42 42 PHE C C 174.36 0.05 1 212 42 42 PHE CA C 55.24 0.10 1 213 42 42 PHE N N 119.179 0.06 1 214 43 43 THR H H 8.459 0.01 1 215 43 43 THR HA H 4.30 0.045 1 216 43 43 THR C C 173.30 0.05 1 217 43 43 THR CA C 61.42 0.10 1 218 43 43 THR N N 106.394 0.06 1 219 44 44 ASP H H 7.929 0.01 1 220 44 44 ASP HA H 4.89 0.045 1 221 44 44 ASP C C 175.42 0.05 1 222 44 44 ASP CA C 52.98 0.10 1 223 44 44 ASP N N 123.542 0.06 1 224 45 45 TYR H H 8.896 0.01 1 225 45 45 TYR HA H 4.57 0.045 1 226 45 45 TYR C C 175.93 0.05 1 227 45 45 TYR CA C 58.94 0.10 1 228 45 45 TYR N N 122.458 0.06 1 229 46 46 SER H H 8.948 0.01 1 230 46 46 SER HA H 4.21 0.045 1 231 46 46 SER C C 173.69 0.05 1 232 46 46 SER CA C 62.74 0.10 1 233 46 46 SER N N 116.604 0.06 1 234 47 47 ASP H H 7.433 0.01 1 235 47 47 ASP HA H 4.72 0.045 1 236 47 47 ASP C C 173.55 0.05 1 237 47 47 ASP CA C 51.94 0.10 1 238 47 47 ASP N N 114.842 0.06 1 239 48 48 HIS H H 7.625 0.01 1 240 48 48 HIS N N 124.427 0.06 1 241 50 50 ARG H H 11.308 0.01 1 242 50 50 ARG C C 174.90 0.05 1 243 50 50 ARG CA C 56.96 0.10 1 244 50 50 ARG N N 119.287 0.06 1 245 51 51 LYS H H 7.528 0.01 1 246 51 51 LYS HA H 4.34 0.045 1 247 51 51 LYS C C 174.91 0.05 1 248 51 51 LYS CA C 55.11 0.10 1 249 51 51 LYS N N 119.170 0.06 1 250 52 52 LEU H H 8.430 0.01 1 251 52 52 LEU HA H 4.37 0.045 1 252 52 52 LEU CA C 54.58 0.10 1 253 52 52 LEU N N 126.736 0.06 1 254 53 53 VAL H H 9.044 0.01 1 255 53 53 VAL HA H 4.08 0.045 1 256 53 53 VAL C C 176.10 0.05 1 257 53 53 VAL CA C 62.55 0.10 1 258 53 53 VAL N N 132.044 0.06 1 259 54 54 THR H H 8.891 0.01 1 260 54 54 THR HA H 4.31 0.045 1 261 54 54 THR C C 174.31 0.05 1 262 54 54 THR CA C 63.24 0.10 1 263 54 54 THR N N 123.934 0.06 1 264 55 55 LEU H H 8.752 0.01 1 265 55 55 LEU HA H 4.31 0.045 1 266 55 55 LEU C C 177.25 0.05 1 267 55 55 LEU CA C 56.69 0.10 1 268 55 55 LEU N N 130.852 0.06 1 269 56 56 ASN H H 8.538 0.01 1 270 56 56 ASN HA H 4.76 0.045 1 271 56 56 ASN CA C 52.66 0.10 1 272 56 56 ASN N N 115.109 0.06 1 273 57 57 PRO C C 176.82 0.05 1 274 57 57 PRO CA C 66.16 0.10 1 275 58 58 LYS H H 8.501 0.01 1 276 58 58 LYS HA H 4.51 0.045 1 277 58 58 LYS C C 175.90 0.05 1 278 58 58 LYS CA C 55.29 0.10 1 279 58 58 LYS N N 113.647 0.06 1 280 59 59 LEU H H 7.773 0.01 1 281 59 59 LEU HA H 4.75 0.045 1 282 59 59 LEU C C 173.50 0.05 1 283 59 59 LEU CA C 55.71 0.10 1 284 59 59 LEU N N 124.597 0.06 1 285 60 60 LYS H H 8.476 0.01 1 286 60 60 LYS HA H 5.34 0.045 1 287 60 60 LYS C C 175.91 0.05 1 288 60 60 LYS CA C 54.54 0.10 1 289 60 60 LYS N N 125.789 0.06 1 290 61 61 SER H H 8.929 0.01 1 291 61 61 SER HA H 4.87 0.045 1 292 61 61 SER C C 173.18 0.05 1 293 61 61 SER CA C 56.59 0.10 1 294 61 61 SER N N 113.855 0.06 1 295 62 62 THR H H 7.000 0.01 1 296 62 62 THR HA H 5.24 0.045 1 297 62 62 THR C C 175.32 0.05 1 298 62 62 THR CA C 60.24 0.10 1 299 62 62 THR N N 112.838 0.06 1 300 63 63 GLY H H 8.606 0.01 1 301 63 63 GLY HA2 H 3.52 0.045 2 302 63 63 GLY HA3 H 3.17 0.045 2 303 63 63 GLY C C 172.71 0.05 1 304 63 63 GLY CA C 46.93 0.10 1 305 63 63 GLY N N 110.492 0.06 1 306 64 64 ALA H H 7.995 0.01 1 307 64 64 ALA HA H 5.13 0.045 1 308 64 64 ALA C C 178.73 0.05 1 309 64 64 ALA CA C 51.91 0.10 1 310 64 64 ALA N N 119.642 0.06 1 311 65 65 GLY H H 9.417 0.01 1 312 65 65 GLY HA2 H 4.51 0.045 2 313 65 65 GLY HA3 H 3.90 0.045 2 314 65 65 GLY C C 175.53 0.05 1 315 65 65 GLY CA C 44.13 0.10 1 316 65 65 GLY N N 107.813 0.06 1 317 66 66 ARG H H 8.325 0.01 1 318 66 66 ARG C C 175.97 0.05 1 319 66 66 ARG CA C 58.91 0.10 1 320 66 66 ARG N N 122.277 0.06 1 321 67 67 TYR H H 8.414 0.01 1 322 67 67 TYR HA H 4.64 0.045 1 323 67 67 TYR C C 175.29 0.05 1 324 67 67 TYR CA C 53.46 0.10 1 325 67 67 TYR N N 112.654 0.06 1 326 68 68 GLN H H 7.847 0.01 1 327 68 68 GLN HA H 3.44 0.045 1 328 68 68 GLN C C 174.19 0.05 1 329 68 68 GLN CA C 55.86 0.10 1 330 68 68 GLN N N 114.863 0.06 1 331 69 69 LEU H H 7.856 0.01 1 332 69 69 LEU HA H 4.80 0.045 1 333 69 69 LEU C C 178.62 0.05 1 334 69 69 LEU CA C 54.83 0.10 1 335 69 69 LEU N N 120.439 0.06 1 336 70 70 LEU H H 8.449 0.01 1 337 70 70 LEU HA H 4.30 0.045 1 338 70 70 LEU C C 178.90 0.05 1 339 70 70 LEU CA C 54.88 0.10 1 340 70 70 LEU N N 127.660 0.06 1 341 71 71 SER H H 8.959 0.01 1 342 71 71 SER C C 176.29 0.05 1 343 71 71 SER CA C 62.46 0.10 1 344 71 71 SER N N 120.677 0.06 1 345 72 72 ARG H H 8.041 0.01 1 346 72 72 ARG HA H 4.15 0.045 1 347 72 72 ARG C C 178.89 0.05 1 348 72 72 ARG CA C 58.98 0.10 1 349 72 72 ARG N N 118.448 0.06 1 350 73 73 TRP H H 6.676 0.01 1 351 73 73 TRP HA H 5.05 0.045 1 352 73 73 TRP C C 178.33 0.05 1 353 73 73 TRP CA C 57.84 0.10 1 354 73 73 TRP N N 119.182 0.06 1 355 74 74 TRP H H 8.593 0.01 1 356 74 74 TRP HA H 5.03 0.045 1 357 74 74 TRP C C 176.33 0.05 1 358 74 74 TRP CA C 60.06 0.10 1 359 74 74 TRP N N 121.577 0.06 1 360 75 75 ASP H H 8.259 0.01 1 361 75 75 ASP HA H 3.99 0.045 1 362 75 75 ASP C C 178.23 0.05 1 363 75 75 ASP CA C 57.92 0.10 1 364 75 75 ASP N N 115.936 0.06 1 365 76 76 ALA H H 7.168 0.01 1 366 76 76 ALA HA H 4.14 0.045 1 367 76 76 ALA C C 180.54 0.05 1 368 76 76 ALA CA C 54.86 0.10 1 369 76 76 ALA N N 120.575 0.06 1 370 77 77 TYR H H 8.651 0.01 1 371 77 77 TYR HA H 4.81 0.045 1 372 77 77 TYR C C 178.39 0.05 1 373 77 77 TYR CA C 63.34 0.10 1 374 77 77 TYR N N 116.432 0.06 1 375 78 78 ARG H H 9.289 0.01 1 376 78 78 ARG HA H 3.62 0.045 1 377 78 78 ARG C C 178.22 0.05 1 378 78 78 ARG CA C 59.81 0.10 1 379 78 78 ARG N N 120.190 0.06 1 380 79 79 LYS H H 6.748 0.01 1 381 79 79 LYS HA H 4.15 0.045 1 382 79 79 LYS C C 178.80 0.05 1 383 79 79 LYS CA C 58.46 0.10 1 384 79 79 LYS N N 118.835 0.06 1 385 80 80 GLN H H 7.660 0.01 1 386 80 80 GLN HA H 4.01 0.045 1 387 80 80 GLN C C 178.01 0.05 1 388 80 80 GLN CA C 59.16 0.10 1 389 80 80 GLN N N 119.763 0.06 1 390 81 81 LEU H H 8.314 0.01 1 391 81 81 LEU HA H 4.44 0.045 1 392 81 81 LEU C C 176.99 0.05 1 393 81 81 LEU CA C 54.62 0.10 1 394 81 81 LEU N N 113.741 0.06 1 395 82 82 GLY H H 7.513 0.01 1 396 82 82 GLY HA2 H 3.90 0.045 2 397 82 82 GLY HA3 H 3.90 0.045 2 398 82 82 GLY C C 175.15 0.05 1 399 82 82 GLY CA C 47.11 0.10 1 400 82 82 GLY N N 110.073 0.06 1 401 83 83 LEU H H 7.936 0.01 1 402 83 83 LEU HA H 4.56 0.045 1 403 83 83 LEU C C 178.34 0.05 1 404 83 83 LEU CA C 54.42 0.10 1 405 83 83 LEU N N 118.011 0.06 1 406 84 84 LYS H H 9.219 0.01 1 407 84 84 LYS HA H 4.44 0.045 1 408 84 84 LYS C C 175.38 0.05 1 409 84 84 LYS CA C 56.68 0.10 1 410 84 84 LYS N N 121.207 0.06 1 411 85 85 ASP H H 7.891 0.01 1 412 85 85 ASP HA H 5.05 0.045 1 413 85 85 ASP C C 173.48 0.05 1 414 85 85 ASP CA C 52.71 0.10 1 415 85 85 ASP N N 115.288 0.06 1 416 86 86 PHE H H 8.793 0.01 1 417 86 86 PHE HA H 4.89 0.045 1 418 86 86 PHE C C 175.52 0.05 1 419 86 86 PHE CA C 55.86 0.10 1 420 86 86 PHE N N 121.817 0.06 1 421 87 87 SER H H 8.085 0.01 1 422 87 87 SER HA H 4.04 0.045 1 423 87 87 SER CA C 58.33 0.10 1 424 87 87 SER N N 114.053 0.06 1 425 88 88 PRO C C 176.84 0.05 1 426 88 88 PRO CA C 67.67 0.10 1 427 89 89 LYS H H 7.866 0.01 1 428 89 89 LYS HA H 3.98 0.045 1 429 89 89 LYS C C 180.21 0.05 1 430 89 89 LYS CA C 59.73 0.10 1 431 89 89 LYS N N 114.570 0.06 1 432 90 90 SER H H 7.685 0.01 1 433 90 90 SER HA H 4.43 0.045 1 434 90 90 SER C C 175.27 0.05 1 435 90 90 SER CA C 61.61 0.10 1 436 90 90 SER N N 118.311 0.06 1 437 91 91 GLN H H 8.455 0.01 1 438 91 91 GLN HA H 3.96 0.045 1 439 91 91 GLN C C 180.01 0.05 1 440 91 91 GLN CA C 60.85 0.10 1 441 91 91 GLN N N 121.483 0.06 1 442 92 92 ASP H H 9.035 0.01 1 443 92 92 ASP HA H 4.39 0.045 1 444 92 92 ASP C C 177.19 0.05 1 445 92 92 ASP CA C 57.88 0.10 1 446 92 92 ASP N N 119.978 0.06 1 447 93 93 ALA H H 7.969 0.01 1 448 93 93 ALA HA H 4.15 0.045 1 449 93 93 ALA C C 181.25 0.05 1 450 93 93 ALA CA C 55.58 0.10 1 451 93 93 ALA N N 119.853 0.06 1 452 94 94 VAL H H 8.140 0.01 1 453 94 94 VAL HA H 3.31 0.045 1 454 94 94 VAL C C 176.93 0.05 1 455 94 94 VAL CA C 67.70 0.10 1 456 94 94 VAL N N 118.060 0.06 1 457 95 95 ALA H H 7.686 0.01 1 458 95 95 ALA HA H 4.62 0.045 1 459 95 95 ALA C C 180.58 0.05 1 460 95 95 ALA CA C 55.71 0.10 1 461 95 95 ALA N N 121.543 0.06 1 462 96 96 LEU H H 8.542 0.01 1 463 96 96 LEU HA H 3.94 0.045 1 464 96 96 LEU C C 178.59 0.05 1 465 96 96 LEU CA C 57.99 0.10 1 466 96 96 LEU N N 114.072 0.06 1 467 97 97 GLN H H 8.000 0.01 1 468 97 97 GLN HA H 3.88 0.045 1 469 97 97 GLN C C 178.48 0.05 1 470 97 97 GLN CA C 58.37 0.10 1 471 97 97 GLN N N 121.442 0.06 1 472 98 98 GLN H H 8.453 0.01 1 473 98 98 GLN HA H 3.76 0.045 1 474 98 98 GLN C C 179.44 0.05 1 475 98 98 GLN CA C 60.37 0.10 1 476 98 98 GLN N N 119.407 0.06 1 477 99 99 ILE H H 8.264 0.01 1 478 99 99 ILE HA H 3.46 0.045 1 479 99 99 ILE C C 178.57 0.05 1 480 99 99 ILE CA C 66.18 0.10 1 481 99 99 ILE N N 120.182 0.06 1 482 100 100 LYS H H 8.793 0.01 1 483 100 100 LYS C C 182.32 0.05 1 484 100 100 LYS CA C 59.20 0.10 1 485 100 100 LYS N N 121.817 0.06 1 486 101 101 GLU H H 8.660 0.01 1 487 101 101 GLU HA H 4.06 0.045 1 488 101 101 GLU C C 177.99 0.05 1 489 101 101 GLU CA C 58.89 0.10 1 490 101 101 GLU N N 120.844 0.06 1 491 102 102 ARG H H 7.505 0.01 1 492 102 102 ARG HA H 4.44 0.045 1 493 102 102 ARG C C 176.54 0.05 1 494 102 102 ARG CA C 53.99 0.10 1 495 102 102 ARG N N 116.504 0.06 1 496 103 103 GLY H H 8.119 0.01 1 497 103 103 GLY HA2 H 4.10 0.045 2 498 103 103 GLY HA3 H 3.96 0.045 2 499 103 103 GLY C C 174.87 0.05 1 500 103 103 GLY CA C 45.94 0.10 1 501 103 103 GLY N N 107.038 0.06 1 502 104 104 ALA H H 7.162 0.01 1 503 104 104 ALA HA H 4.74 0.045 1 504 104 104 ALA C C 178.15 0.05 1 505 104 104 ALA CA C 51.56 0.10 1 506 104 104 ALA N N 115.868 0.06 1 507 105 105 LEU H H 8.404 0.01 1 508 105 105 LEU HA H 3.84 0.045 1 509 105 105 LEU CA C 59.97 0.10 1 510 105 105 LEU N N 121.150 0.06 1 511 106 106 PRO C C 179.77 0.05 1 512 106 106 PRO CA C 65.87 0.10 1 513 107 107 MET H H 6.431 0.01 1 514 107 107 MET HA H 3.95 0.045 1 515 107 107 MET C C 177.64 0.05 1 516 107 107 MET CA C 59.16 0.10 1 517 107 107 MET N N 113.083 0.06 1 518 108 108 ILE H H 7.580 0.01 1 519 108 108 ILE HA H 3.10 0.045 1 520 108 108 ILE C C 178.48 0.05 1 521 108 108 ILE CA C 65.17 0.10 1 522 108 108 ILE N N 120.582 0.06 1 523 109 109 ASP H H 8.437 0.01 1 524 109 109 ASP HA H 4.23 0.045 1 525 109 109 ASP C C 178.28 0.05 1 526 109 109 ASP CA C 57.90 0.10 1 527 109 109 ASP N N 119.924 0.06 1 528 110 110 ARG H H 7.460 0.01 1 529 110 110 ARG HA H 4.46 0.045 1 530 110 110 ARG C C 176.25 0.05 1 531 110 110 ARG CA C 56.01 0.10 1 532 110 110 ARG N N 113.947 0.06 1 533 111 111 GLY H H 7.699 0.01 1 534 111 111 GLY HA2 H 3.56 0.045 2 535 111 111 GLY HA3 H 4.53 0.045 2 536 111 111 GLY C C 175.42 0.05 1 537 111 111 GLY CA C 45.84 0.10 1 538 111 111 GLY N N 105.958 0.06 1 539 112 112 ASP H H 8.806 0.01 1 540 112 112 ASP HA H 5.22 0.045 1 541 112 112 ASP C C 176.30 0.05 1 542 112 112 ASP CA C 53.03 0.10 1 543 112 112 ASP N N 128.323 0.06 1 544 113 113 ILE H H 7.497 0.01 1 545 113 113 ILE HA H 3.47 0.045 1 546 113 113 ILE C C 177.95 0.05 1 547 113 113 ILE CA C 61.23 0.10 1 548 113 113 ILE N N 119.556 0.06 1 549 114 114 ARG H H 9.104 0.01 1 550 114 114 ARG HA H 3.83 0.045 1 551 114 114 ARG C C 179.04 0.05 1 552 114 114 ARG CA C 61.18 0.10 1 553 114 114 ARG N N 122.536 0.06 1 554 115 115 GLN H H 8.338 0.01 1 555 115 115 GLN HA H 4.07 0.045 1 556 115 115 GLN C C 178.62 0.05 1 557 115 115 GLN CA C 59.51 0.10 1 558 115 115 GLN N N 118.583 0.06 1 559 116 116 ALA H H 7.802 0.01 1 560 116 116 ALA HA H 4.06 0.045 1 561 116 116 ALA C C 179.68 0.05 1 562 116 116 ALA CA C 55.58 0.10 1 563 116 116 ALA N N 122.399 0.06 1 564 117 117 ILE H H 8.809 0.01 1 565 117 117 ILE HA H 3.57 0.045 1 566 117 117 ILE C C 176.83 0.05 1 567 117 117 ILE CA C 67.07 0.10 1 568 117 117 ILE N N 119.323 0.06 1 569 118 118 ASP H H 7.529 0.01 1 570 118 118 ASP HA H 4.57 0.045 1 571 118 118 ASP C C 180.50 0.05 1 572 118 118 ASP CA C 58.05 0.10 1 573 118 118 ASP N N 116.855 0.06 1 574 119 119 ARG H H 8.395 0.01 1 575 119 119 ARG HA H 4.24 0.045 1 576 119 119 ARG C C 178.11 0.05 1 577 119 119 ARG CA C 57.62 0.10 1 578 119 119 ARG N N 118.015 0.06 1 579 120 120 CYS H H 8.059 0.01 1 580 120 120 CYS HA H 4.53 0.045 1 581 120 120 CYS C C 175.85 0.05 1 582 120 120 CYS CA C 62.12 0.10 1 583 120 120 CYS N N 112.777 0.06 1 584 121 121 SER H H 8.119 0.01 1 585 121 121 SER HA H 4.52 0.045 1 586 121 121 SER C C 173.62 0.05 1 587 121 121 SER CA C 61.73 0.10 1 588 121 121 SER N N 120.285 0.06 1 589 122 122 ASN H H 7.645 0.01 1 590 122 122 ASN HA H 4.61 0.045 1 591 122 122 ASN C C 175.03 0.05 1 592 122 122 ASN CA C 54.73 0.10 1 593 122 122 ASN N N 116.367 0.06 1 594 123 123 ILE H H 7.632 0.01 1 595 123 123 ILE HA H 3.63 0.045 1 596 123 123 ILE C C 175.64 0.05 1 597 123 123 ILE CA C 62.57 0.10 1 598 123 123 ILE N N 119.640 0.06 1 599 124 124 TRP H H 7.090 0.01 1 600 124 124 TRP HA H 4.71 0.045 1 601 124 124 TRP C C 175.20 0.05 1 602 124 124 TRP CA C 60.96 0.10 1 603 124 124 TRP N N 119.244 0.06 1 604 125 125 ALA H H 8.719 0.01 1 605 125 125 ALA HA H 4.35 0.045 1 606 125 125 ALA C C 177.61 0.05 1 607 125 125 ALA CA C 53.73 0.10 1 608 125 125 ALA N N 125.573 0.06 1 609 126 126 SER H H 8.028 0.01 1 610 126 126 SER HA H 4.28 0.045 1 611 126 126 SER C C 174.94 0.05 1 612 126 126 SER CA C 59.82 0.10 1 613 126 126 SER N N 110.712 0.06 1 614 127 127 LEU H H 7.726 0.01 1 615 127 127 LEU HA H 4.49 0.045 1 616 127 127 LEU CA C 52.07 0.10 1 617 127 127 LEU N N 123.617 0.06 1 618 128 128 PRO HA H 4.43 0.045 1 619 129 129 GLY H H 7.805 0.01 1 620 129 129 GLY HA2 H 4.29 0.045 2 621 129 129 GLY HA3 H 3.81 0.045 2 622 129 129 GLY C C 174.97 0.05 1 623 129 129 GLY CA C 44.30 0.10 1 624 129 129 GLY N N 107.064 0.06 1 625 130 130 ALA H H 8.555 0.01 1 626 130 130 ALA HA H 3.73 0.045 1 627 130 130 ALA C C 179.02 0.05 1 628 130 130 ALA CA C 53.79 0.10 1 629 130 130 ALA N N 124.356 0.06 1 630 131 131 GLY H H 8.538 0.01 1 631 131 131 GLY HA2 H 3.80 0.045 2 632 131 131 GLY HA3 H 3.80 0.045 2 633 131 131 GLY C C 174.51 0.05 1 634 131 131 GLY CA C 45.39 0.10 1 635 131 131 GLY N N 105.852 0.06 1 636 132 132 TYR H H 8.035 0.01 1 637 132 132 TYR HA H 4.66 0.045 1 638 132 132 TYR C C 176.97 0.05 1 639 132 132 TYR CA C 57.69 0.10 1 640 132 132 TYR N N 119.720 0.06 1 641 133 133 GLY H H 8.702 0.01 1 642 133 133 GLY HA2 H 3.96 0.045 2 643 133 133 GLY HA3 H 3.81 0.045 2 644 133 133 GLY C C 174.88 0.05 1 645 133 133 GLY CA C 46.19 0.10 1 646 133 133 GLY N N 110.999 0.06 1 647 134 134 GLN H H 8.085 0.01 1 648 134 134 GLN HA H 4.35 0.045 1 649 134 134 GLN C C 175.71 0.05 1 650 134 134 GLN CA C 55.81 0.10 1 651 134 134 GLN N N 118.634 0.06 1 652 135 135 PHE H H 8.080 0.01 1 653 135 135 PHE HA H 4.31 0.045 1 654 135 135 PHE CA C 60.09 0.10 1 655 135 135 PHE N N 119.955 0.06 1 656 136 136 GLU HA H 3.98 0.045 1 657 136 136 GLU C C 177.35 0.05 1 658 137 137 HIS H H 8.306 0.01 1 659 137 137 HIS HA H 4.53 0.045 1 660 137 137 HIS C C 176.55 0.05 1 661 137 137 HIS CA C 57.17 0.10 1 662 137 137 HIS N N 116.836 0.06 1 663 138 138 LYS H H 8.335 0.01 1 664 138 138 LYS HA H 4.23 0.045 1 665 138 138 LYS C C 179.10 0.05 1 666 138 138 LYS CA C 58.44 0.10 1 667 138 138 LYS N N 119.669 0.06 1 668 139 139 ALA H H 9.086 0.01 1 669 139 139 ALA HA H 4.02 0.045 1 670 139 139 ALA C C 178.72 0.05 1 671 139 139 ALA CA C 55.38 0.10 1 672 139 139 ALA N N 122.300 0.06 1 673 140 140 ASP H H 8.337 0.01 1 674 140 140 ASP HA H 4.26 0.045 1 675 140 140 ASP C C 179.56 0.05 1 676 140 140 ASP CA C 58.16 0.10 1 677 140 140 ASP N N 117.150 0.06 1 678 141 141 SER H H 7.802 0.01 1 679 141 141 SER HA H 4.26 0.045 1 680 141 141 SER C C 176.48 0.05 1 681 141 141 SER CA C 61.74 0.10 1 682 141 141 SER N N 116.592 0.06 1 683 142 142 LEU H H 7.580 0.01 1 684 142 142 LEU HA H 3.86 0.045 1 685 142 142 LEU C C 178.46 0.05 1 686 142 142 LEU CA C 58.18 0.10 1 687 142 142 LEU N N 124.272 0.06 1 688 143 143 ILE H H 8.549 0.01 1 689 143 143 ILE HA H 4.25 0.045 1 690 143 143 ILE C C 177.73 0.05 1 691 143 143 ILE CA C 64.58 0.10 1 692 143 143 ILE N N 120.641 0.06 1 693 144 144 ALA H H 7.701 0.01 1 694 144 144 ALA HA H 4.03 0.045 1 695 144 144 ALA C C 180.70 0.05 1 696 144 144 ALA CA C 55.59 0.10 1 697 144 144 ALA N N 121.104 0.06 1 698 145 145 LYS H H 7.280 0.01 1 699 145 145 LYS HA H 3.82 0.045 1 700 145 145 LYS C C 177.88 0.05 1 701 145 145 LYS CA C 56.90 0.10 1 702 145 145 LYS N N 118.809 0.06 1 703 146 146 PHE H H 8.402 0.01 1 704 146 146 PHE HA H 3.84 0.045 1 705 146 146 PHE C C 177.42 0.05 1 706 146 146 PHE CA C 62.10 0.10 1 707 146 146 PHE N N 121.655 0.06 1 708 147 147 LYS H H 8.288 0.01 1 709 147 147 LYS HA H 4.34 0.045 1 710 147 147 LYS C C 181.66 0.05 1 711 147 147 LYS CA C 59.19 0.10 1 712 147 147 LYS N N 118.375 0.06 1 713 148 148 GLU H H 8.248 0.01 1 714 148 148 GLU HA H 3.85 0.045 1 715 148 148 GLU C C 177.83 0.05 1 716 148 148 GLU CA C 59.30 0.10 1 717 148 148 GLU N N 123.603 0.06 1 718 149 149 ALA H H 7.620 0.01 1 719 149 149 ALA HA H 4.28 0.045 1 720 149 149 ALA C C 176.76 0.05 1 721 149 149 ALA CA C 52.05 0.10 1 722 149 149 ALA N N 119.192 0.06 1 723 150 150 GLY H H 7.699 0.01 1 724 150 150 GLY HA2 H 3.56 0.045 2 725 150 150 GLY HA3 H 4.27 0.045 2 726 150 150 GLY C C 174.83 0.05 1 727 150 150 GLY CA C 44.65 0.10 1 728 150 150 GLY N N 105.958 0.06 1 729 151 151 GLY H H 7.793 0.01 1 730 151 151 GLY HA2 H 3.54 0.045 2 731 151 151 GLY HA3 H 2.03 0.045 2 732 151 151 GLY C C 172.49 0.05 1 733 151 151 GLY CA C 44.51 0.10 1 734 151 151 GLY N N 110.123 0.06 1 735 152 152 THR H H 9.817 0.01 1 736 152 152 THR HA H 4.64 0.045 1 737 152 152 THR C C 173.72 0.05 1 738 152 152 THR CA C 61.77 0.10 1 739 152 152 THR N N 118.193 0.06 1 740 153 153 VAL H H 8.847 0.01 1 741 153 153 VAL HA H 4.65 0.045 1 742 153 153 VAL C C 175.54 0.05 1 743 153 153 VAL CA C 60.72 0.10 1 744 153 153 VAL N N 123.939 0.06 1 745 154 154 ARG H H 8.896 0.01 1 746 154 154 ARG HA H 4.40 0.045 1 747 154 154 ARG C C 175.79 0.05 1 748 154 154 ARG CA C 56.35 0.10 1 749 154 154 ARG N N 128.040 0.06 1 750 155 155 GLU H H 8.610 0.01 1 751 155 155 GLU HA H 4.41 0.045 1 752 155 155 GLU C C 175.93 0.05 1 753 155 155 GLU CA C 56.16 0.10 1 754 155 155 GLU N N 125.858 0.06 1 755 156 156 ILE H H 8.180 0.01 1 756 156 156 ILE HA H 4.21 0.045 1 757 156 156 ILE C C 175.64 0.05 1 758 156 156 ILE CA C 61.16 0.10 1 759 156 156 ILE N N 120.713 0.06 1 760 157 157 ASP H H 8.447 0.01 1 761 157 157 ASP HA H 4.64 0.045 1 762 157 157 ASP C C 175.01 0.05 1 763 157 157 ASP CA C 54.51 0.10 1 764 157 157 ASP N N 124.731 0.06 1 765 158 158 VAL H H 7.633 0.01 1 766 158 158 VAL HA H 4.02 0.045 1 767 158 158 VAL CA C 63.66 0.10 1 768 158 158 VAL N N 123.644 0.06 1 stop_ save_