data_17604 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant ; _BMRB_accession_number 17604 _BMRB_flat_file_name bmr17604.str _Entry_type original _Submission_date 2011-04-26 _Accession_date 2011-04-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'T4 Lysozyme L99A Excited State Structure' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouvignies Guillaume . . 2 Vallurupalli Pramodh . . 3 Hansen 'D. Flemming' . . 4 Correia Bruno . . 5 Lange Oliver . . 6 Bah Alaji . . 7 Vernon Robert M. . 8 Dahlquist Frederick W. . 9 Baker David . . 10 Kay Lewis E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 262 "13C chemical shifts" 248 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17603 T4_L99A/G113A/R119P stop_ _Original_release_date 2011-04-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21857680 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouvignies Guillaume . . 2 Vallurupalli Pramodh . . 3 Hansen 'D. Flemming' . . 4 Correia Bruno E. . 5 Lange Oliver . . 6 Bah Alaji . . 7 Vernon Robert M. . 8 Dahlquist Frederick W. . 9 Baker David . . 10 Kay Lewis E. . stop_ _Journal_abbreviation Nature _Journal_name_full Nature _Journal_volume 477 _Journal_issue 7362 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 111 _Page_last 114 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name T4_L99A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label T4_L99A $T4_L99A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_T4_L99A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common T4_L99A _Molecular_mass 18586.436 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAGFTNSLRM LQQKRWDEAAVNLAKSRWYN QTPNRAKRVITTFRTGTWDA YKNL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 ILE 4 PHE 5 GLU 6 MET 7 LEU 8 ARG 9 ILE 10 ASP 11 GLU 12 GLY 13 LEU 14 ARG 15 LEU 16 LYS 17 ILE 18 TYR 19 LYS 20 ASP 21 THR 22 GLU 23 GLY 24 TYR 25 TYR 26 THR 27 ILE 28 GLY 29 ILE 30 GLY 31 HIS 32 LEU 33 LEU 34 THR 35 LYS 36 SER 37 PRO 38 SER 39 LEU 40 ASN 41 ALA 42 ALA 43 LYS 44 SER 45 GLU 46 LEU 47 ASP 48 LYS 49 ALA 50 ILE 51 GLY 52 ARG 53 ASN 54 THR 55 ASN 56 GLY 57 VAL 58 ILE 59 THR 60 LYS 61 ASP 62 GLU 63 ALA 64 GLU 65 LYS 66 LEU 67 PHE 68 ASN 69 GLN 70 ASP 71 VAL 72 ASP 73 ALA 74 ALA 75 VAL 76 ARG 77 GLY 78 ILE 79 LEU 80 ARG 81 ASN 82 ALA 83 LYS 84 LEU 85 LYS 86 PRO 87 VAL 88 TYR 89 ASP 90 SER 91 LEU 92 ASP 93 ALA 94 VAL 95 ARG 96 ARG 97 ALA 98 ALA 99 ALA 100 ILE 101 ASN 102 MET 103 VAL 104 PHE 105 GLN 106 MET 107 GLY 108 GLU 109 THR 110 GLY 111 VAL 112 ALA 113 GLY 114 PHE 115 THR 116 ASN 117 SER 118 LEU 119 ARG 120 MET 121 LEU 122 GLN 123 GLN 124 LYS 125 ARG 126 TRP 127 ASP 128 GLU 129 ALA 130 ALA 131 VAL 132 ASN 133 LEU 134 ALA 135 LYS 136 SER 137 ARG 138 TRP 139 TYR 140 ASN 141 GLN 142 THR 143 PRO 144 ASN 145 ARG 146 ALA 147 LYS 148 ARG 149 VAL 150 ILE 151 THR 152 THR 153 PHE 154 ARG 155 THR 156 GLY 157 THR 158 TRP 159 ASP 160 ALA 161 TYR 162 LYS 163 ASN 164 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $T4_L99A 'T4 Phage' . Viruses . T4 Phage 'T4 Phage Lysozyme L99A' 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 $T4_L99A 'recombinant technology' . Escherichia coli BL21(DE3) pET-29B 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 $T4_L99A 1.5 mM '[U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 25 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 2 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $T4_L99A 1.5 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 25 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 2 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $T4_L99A 1.5 mM '[U-13Ca; U-15N]' D2O 100 % 'natural abundance' NaCl 25 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 2 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $T4_L99A 1.5 mM '[U-13C; U-15N; U-50% 2H]' D2O 100 % 'natural abundance' NaCl 25 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 2 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $T4_L99A 1.5 mM '[ U-15N] 13CH3 Met' D2O 100 % 'natural abundance' NaCl 25 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 2 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_FUDA _Saveframe_category software _Name FuDA _Version . loop_ _Vendor _Address _Electronic_address 'Flemming Hansen' . . stop_ loop_ _Task 'Extract Peak intensities' stop_ _Details . save_ save_CATIA _Saveframe_category software _Name CATIA _Version . loop_ _Vendor _Address _Electronic_address 'Flemming Hansen' . . stop_ loop_ _Task 'CPMG data analysis' stop_ _Details . save_ save_CS-ROSETTA _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Cryo Probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_CT_Trosy_CPMG_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CT Trosy CPMG' _Sample_label $sample_1 save_ save_15N_CT_Trosy_CPMG_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CT Trosy CPMG' _Sample_label $sample_1 save_ save_1H_CT_CPMG_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H CT CPMG' _Sample_label $sample_1 save_ save_1H_CT_CPMG_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H CT CPMG' _Sample_label $sample_1 save_ save_1H_ZQ/DQ_CPMG_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H ZQ/DQ CPMG' _Sample_label $sample_1 save_ save_1H_ZQ/DQ_CPMG_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H ZQ/DQ CPMG' _Sample_label $sample_1 save_ save_13C'_CT_CPMG_7 _Saveframe_category NMR_applied_experiment _Experiment_name "13C' CT CPMG" _Sample_label $sample_2 save_ save_13C'_CT_CPMG_8 _Saveframe_category NMR_applied_experiment _Experiment_name "13C' CT CPMG" _Sample_label $sample_2 save_ save_13Ca_CT_CPMG_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13Ca CT CPMG' _Sample_label $sample_3 save_ save_13Ca_CT_CPMG_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13Ca CT CPMG' _Sample_label $sample_3 save_ save_1Ha_CT_CPMG_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1Ha CT CPMG' _Sample_label $sample_4 save_ save_1Ha_CT_CPMG_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1Ha CT CPMG' _Sample_label $sample_4 save_ save_Gly_13Ca_CT_CPMG_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'Gly 13Ca CT CPMG' _Sample_label $sample_4 save_ save_Gly_1Ha_CT_CPMG_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Gly 1Ha CT CPMG' _Sample_label $sample_4 save_ save_Gly_1Ha_CT_CPMG_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'Gly 1Ha CT CPMG' _Sample_label $sample_4 save_ save_1H-15N_ZZ_exchange_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N ZZ exchange' _Sample_label $sample_1 save_ save_1H-13C_Met_ZZ_exchange_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C Met ZZ exchange' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HMQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HMQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label $sample_1 save_ save_3D_HNCO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_MQ_HNCO_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D MQ HNCO' _Sample_label $sample_2 save_ save_3D_MQ_HNCO_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D MQ HNCO' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM sodium phosphate, 25 mM NaCl, 2 mM EDTA, 2 mM NaN3 pH 5.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 85 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 internal indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1.0 water N 15 protons ppm 4.75 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 '15N CT Trosy CPMG' '1H CT CPMG' '1H ZQ/DQ CPMG' "13C' CT CPMG" '13Ca CT CPMG' '1Ha CT CPMG' 'Gly 13Ca CT CPMG' 'Gly 1Ha CT CPMG' '2D 1H-15N HSQC' '2D 1H-15N HMQC' '3D HNCO' '3D MQ HNCO' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name T4_L99A _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 3.7330 0.01 1 2 1 1 MET CA C 53.2940 0.1 1 3 2 2 ASN H H 6.8840 0.01 1 4 2 2 ASN HA H 4.5110 0.01 1 5 2 2 ASN CA C 52.4250 0.1 1 6 2 2 ASN N N 115.7170 0.1 1 7 3 3 ILE H H 8.8910 0.01 1 8 3 3 ILE C C 174.0250 0.1 1 9 3 3 ILE N N 116.5560 0.1 1 10 4 4 PHE H H 7.2950 0.01 1 11 4 4 PHE HA H 4.0780 0.01 1 12 4 4 PHE C C 177.1770 0.1 1 13 4 4 PHE CA C 60.5990 0.1 1 14 4 4 PHE N N 121.6870 0.1 1 15 5 5 GLU H H 7.8860 0.01 1 16 5 5 GLU HA H 3.8410 0.01 1 17 5 5 GLU C C 178.2790 0.1 1 18 5 5 GLU CA C 58.7760 0.1 1 19 5 5 GLU N N 118.2030 0.1 1 20 6 6 MET HA H 3.2430 0.01 1 21 6 6 MET C C 177.1160 0.1 1 22 6 6 MET CA C 58.6520 0.1 1 23 6 6 MET N N 118.1750 0.1 1 24 7 7 LEU H H 8.0290 0.01 1 25 7 7 LEU HA H 3.9540 0.01 1 26 7 7 LEU C C 178.5290 0.1 1 27 7 7 LEU N N 116.1080 0.1 1 28 8 8 ARG H H 8.1210 0.01 1 29 8 8 ARG HA H 3.5630 0.01 1 30 8 8 ARG C C 180.1170 0.1 1 31 8 8 ARG N N 120.6500 0.1 1 32 9 9 ILE H H 7.6190 0.01 1 33 9 9 ILE HA H 3.4870 0.01 1 34 9 9 ILE C C 177.3950 0.1 1 35 9 9 ILE N N 120.8850 0.1 1 36 10 10 ASP H H 8.0120 0.01 1 37 10 10 ASP C C 177.8570 0.1 1 38 10 10 ASP CA C 58.2620 0.1 1 39 10 10 ASP N N 117.6840 0.1 1 40 11 11 GLU H H 8.8370 0.01 1 41 11 11 GLU HA H 4.5480 0.01 1 42 11 11 GLU C C 178.2040 0.1 1 43 11 11 GLU CA C 55.4070 0.1 1 44 11 11 GLU N N 115.1030 0.1 1 45 12 12 GLY C C 170.0410 0.1 1 46 12 12 GLY N N 109.2550 0.1 1 47 13 13 LEU H H 7.7700 0.01 1 48 13 13 LEU C C 175.6090 0.1 1 49 13 13 LEU N N 117.2800 0.1 1 50 14 14 ARG H H 8.2720 0.01 1 51 14 14 ARG HA H 4.6650 0.01 1 52 14 14 ARG C C 175.9000 0.1 1 53 14 14 ARG CA C 54.0910 0.1 1 54 14 14 ARG N N 126.4440 0.1 1 55 15 15 LEU H H 8.8060 0.01 1 56 15 15 LEU C C 173.7230 0.1 1 57 15 15 LEU N N 122.9510 0.1 1 58 16 16 LYS H H 7.1240 0.01 1 59 16 16 LYS HA H 5.4210 0.01 1 60 16 16 LYS C C 176.1040 0.1 1 61 16 16 LYS CA C 53.5880 0.1 1 62 16 16 LYS N N 114.9830 0.1 1 63 17 17 ILE H H 7.5560 0.01 1 64 17 17 ILE HA H 4.1330 0.01 1 65 17 17 ILE C C 174.7730 0.1 1 66 17 17 ILE N N 120.6640 0.1 1 67 18 18 TYR H H 9.3910 0.01 1 68 18 18 TYR HA H 5.1140 0.01 1 69 18 18 TYR C C 172.7090 0.1 1 70 18 18 TYR CA C 55.2880 0.1 1 71 18 18 TYR N N 127.7130 0.1 1 72 19 19 LYS H H 8.3420 0.01 1 73 19 19 LYS HA H 4.5630 0.01 1 74 19 19 LYS C C 176.0600 0.1 1 75 19 19 LYS CA C 55.0250 0.1 1 76 19 19 LYS N N 122.5840 0.1 1 77 20 20 ASP H H 8.5090 0.01 1 78 20 20 ASP HA H 4.5710 0.01 1 79 20 20 ASP C C 178.0880 0.1 1 80 20 20 ASP CA C 52.7200 0.1 1 81 20 20 ASP N N 124.8640 0.1 1 82 21 21 THR H H 7.9750 0.01 1 83 21 21 THR HA H 3.9780 0.01 1 84 21 21 THR C C 175.8470 0.1 1 85 21 21 THR CA C 65.1150 0.1 1 86 21 21 THR N N 110.2530 0.1 1 87 22 22 GLU HA H 4.1600 0.01 1 88 22 22 GLU C C 175.5110 0.1 1 89 22 22 GLU CA C 55.9720 0.1 1 90 22 22 GLU N N 120.0580 0.1 1 91 23 23 GLY H H 7.8310 0.01 1 92 23 23 GLY HA2 H 3.3200 0.01 2 93 23 23 GLY HA3 H 3.9600 0.01 2 94 23 23 GLY C C 173.4980 0.1 1 95 23 23 GLY N N 106.8010 0.1 1 96 24 24 TYR H H 8.1900 0.01 1 97 24 24 TYR HA H 4.9490 0.01 1 98 24 24 TYR C C 177.6460 0.1 1 99 24 24 TYR CA C 54.7050 0.1 1 100 24 24 TYR N N 120.5770 0.1 1 101 25 25 TYR H H 8.7300 0.01 1 102 25 25 TYR HA H 4.8930 0.01 1 103 25 25 TYR C C 175.2250 0.1 1 104 25 25 TYR CA C 59.8310 0.1 1 105 25 25 TYR N N 122.5990 0.1 1 106 26 26 THR H H 9.3940 0.01 1 107 26 26 THR C C 170.7040 0.1 1 108 26 26 THR CA C 60.8480 0.1 1 109 26 26 THR N N 120.5660 0.1 1 110 27 27 ILE H H 8.8420 0.01 1 111 27 27 ILE HA H 4.6350 0.01 1 112 27 27 ILE C C 172.5880 0.1 1 113 27 27 ILE N N 120.4800 0.1 1 114 28 28 GLY H H 8.5850 0.01 1 115 28 28 GLY C C 174.7250 0.1 1 116 28 28 GLY N N 112.0340 0.1 1 117 29 29 ILE H H 10.2690 0.01 1 118 29 29 ILE C C 176.6410 0.1 1 119 29 29 ILE N N 134.3070 0.1 1 120 30 30 GLY H H 8.1590 0.01 1 121 30 30 GLY C C 173.1030 0.1 1 122 30 30 GLY CA C 46.6470 0.1 1 123 30 30 GLY N N 107.6970 0.1 1 124 31 31 HIS H H 8.2740 0.01 1 125 31 31 HIS HA H 4.3440 0.01 1 126 31 31 HIS C C 173.2420 0.1 1 127 31 31 HIS CA C 56.6570 0.1 1 128 31 31 HIS N N 115.5800 0.1 1 129 32 32 LEU H H 7.9160 0.01 1 130 32 32 LEU C C 176.4410 0.1 1 131 32 32 LEU N N 131.9650 0.1 1 132 33 33 LEU H H 9.0780 0.01 1 133 33 33 LEU HA H 4.4970 0.01 1 134 33 33 LEU C C 176.1880 0.1 1 135 33 33 LEU N N 125.8910 0.1 1 136 34 34 THR H H 7.2660 0.01 1 137 34 34 THR HA H 4.4650 0.01 1 138 34 34 THR C C 171.6270 0.1 1 139 34 34 THR CA C 60.0500 0.1 1 140 34 34 THR N N 109.6940 0.1 1 141 35 35 LYS H H 8.5830 0.01 1 142 35 35 LYS C C 176.7300 0.1 1 143 35 35 LYS N N 124.8510 0.1 1 144 36 36 SER H H 8.7480 0.01 1 145 36 36 SER N N 119.4570 0.1 1 146 37 37 PRO HA H 4.8850 0.01 1 147 37 37 PRO C C 177.0510 0.1 1 148 37 37 PRO CA C 63.2290 0.1 1 149 38 38 SER H H 8.2300 0.01 1 150 38 38 SER HA H 4.7300 0.01 1 151 38 38 SER C C 174.4000 0.1 1 152 38 38 SER CA C 56.3150 0.1 1 153 38 38 SER N N 116.3020 0.1 1 154 39 39 LEU H H 8.9610 0.01 1 155 39 39 LEU HA H 3.4440 0.01 1 156 39 39 LEU C C 178.4620 0.1 1 157 39 39 LEU N N 133.0660 0.1 1 158 40 40 ASN H H 8.2820 0.01 1 159 40 40 ASN C C 178.2790 0.1 1 160 40 40 ASN N N 116.7810 0.1 1 161 41 41 ALA H H 7.7460 0.01 1 162 41 41 ALA HA H 4.2130 0.01 1 163 41 41 ALA C C 179.8820 0.1 1 164 41 41 ALA CA C 54.7130 0.1 1 165 41 41 ALA N N 123.9170 0.1 1 166 42 42 ALA H H 7.5930 0.01 1 167 42 42 ALA HA H 3.7410 0.01 1 168 42 42 ALA C C 178.8220 0.1 1 169 42 42 ALA CA C 55.4330 0.1 1 170 42 42 ALA N N 120.9720 0.1 1 171 43 43 LYS H H 8.4000 0.01 1 172 43 43 LYS C C 177.7150 0.1 1 173 43 43 LYS N N 117.1130 0.1 1 174 44 44 SER H H 7.9270 0.01 1 175 44 44 SER C C 177.9550 0.1 1 176 44 44 SER CA C 61.7080 0.1 1 177 44 44 SER N N 113.8250 0.1 1 178 45 45 GLU HA H 4.1210 0.01 1 179 45 45 GLU C C 179.3670 0.1 1 180 45 45 GLU CA C 58.5160 0.1 1 181 45 45 GLU N N 120.1040 0.1 1 182 46 46 LEU H H 8.3040 0.01 1 183 46 46 LEU C C 177.3040 0.1 1 184 46 46 LEU N N 122.7140 0.1 1 185 47 47 ASP H H 8.6510 0.01 1 186 47 47 ASP C C 181.0230 0.1 1 187 47 47 ASP CA C 57.2660 0.1 1 188 47 47 ASP N N 120.2200 0.1 1 189 48 48 LYS H H 7.7940 0.01 1 190 48 48 LYS HA H 4.0100 0.01 1 191 48 48 LYS C C 178.2380 0.1 1 192 48 48 LYS CA C 59.1100 0.1 1 193 48 48 LYS N N 120.8840 0.1 1 194 49 49 ALA H H 7.9260 0.01 1 195 49 49 ALA HA H 4.1660 0.01 1 196 49 49 ALA C C 179.4710 0.1 1 197 49 49 ALA CA C 54.3670 0.1 1 198 49 49 ALA N N 121.0760 0.1 1 199 50 50 ILE H H 8.3790 0.01 1 200 50 50 ILE HA H 4.0770 0.01 1 201 50 50 ILE C C 177.2560 0.1 1 202 50 50 ILE N N 114.8450 0.1 1 203 51 51 GLY H H 8.3800 0.01 1 204 51 51 GLY HA3 H 4.1560 0.01 2 205 51 51 GLY C C 173.7310 0.1 1 206 51 51 GLY N N 109.2060 0.1 1 207 52 52 ARG H H 7.6560 0.01 1 208 52 52 ARG HA H 4.5660 0.01 1 209 52 52 ARG C C 172.3180 0.1 1 210 52 52 ARG N N 115.4890 0.1 1 211 53 53 ASN H H 8.2750 0.01 1 212 53 53 ASN C C 175.4340 0.1 1 213 53 53 ASN N N 115.4220 0.1 1 214 54 54 THR H H 9.0790 0.01 1 215 54 54 THR HA H 4.3030 0.01 1 216 54 54 THR C C 177.3160 0.1 1 217 54 54 THR CA C 63.7420 0.1 1 218 54 54 THR N N 119.6110 0.1 1 219 55 55 ASN H H 9.4770 0.01 1 220 55 55 ASN C C 175.7710 0.1 1 221 55 55 ASN N N 120.1020 0.1 1 222 56 56 GLY H H 8.6880 0.01 1 223 56 56 GLY HA2 H 4.1560 0.01 2 224 56 56 GLY HA3 H 3.3010 0.01 2 225 56 56 GLY C C 172.1230 0.1 1 226 56 56 GLY N N 102.9320 0.1 1 227 57 57 VAL H H 7.4730 0.01 1 228 57 57 VAL HA H 5.1200 0.01 1 229 57 57 VAL C C 174.8870 0.1 1 230 57 57 VAL CA C 60.6650 0.1 1 231 57 57 VAL N N 120.3120 0.1 1 232 58 58 ILE H H 8.5450 0.01 1 233 58 58 ILE HA H 4.8750 0.01 1 234 58 58 ILE C C 175.4100 0.1 1 235 58 58 ILE N N 116.9090 0.1 1 236 59 59 THR H H 8.6940 0.01 1 237 59 59 THR HA H 4.6190 0.01 1 238 59 59 THR C C 176.3790 0.1 1 239 59 59 THR CA C 59.8420 0.1 1 240 59 59 THR N N 109.2100 0.1 1 241 60 60 LYS H H 9.1470 0.01 1 242 60 60 LYS HA H 3.8650 0.01 1 243 60 60 LYS C C 178.0860 0.1 1 244 60 60 LYS CA C 60.8570 0.1 1 245 60 60 LYS N N 121.4660 0.1 1 246 61 61 ASP H H 8.2520 0.01 1 247 61 61 ASP HA H 4.3500 0.01 1 248 61 61 ASP C C 179.6280 0.1 1 249 61 61 ASP CA C 57.1940 0.1 1 250 61 61 ASP N N 117.2430 0.1 1 251 62 62 GLU H H 7.7130 0.01 1 252 62 62 GLU HA H 3.8830 0.01 1 253 62 62 GLU C C 178.7810 0.1 1 254 62 62 GLU N N 121.4730 0.1 1 255 63 63 ALA H H 8.5640 0.01 1 256 63 63 ALA HA H 3.8940 0.01 1 257 63 63 ALA C C 180.8010 0.1 1 258 63 63 ALA CA C 55.1040 0.1 1 259 63 63 ALA N N 121.2130 0.1 1 260 64 64 GLU H H 8.4230 0.01 1 261 64 64 GLU HA H 4.1850 0.01 1 262 64 64 GLU C C 177.8890 0.1 1 263 64 64 GLU CA C 60.2920 0.1 1 264 64 64 GLU N N 119.8530 0.1 1 265 65 65 LYS H H 7.8930 0.01 1 266 65 65 LYS C C 179.8960 0.1 1 267 65 65 LYS CA C 59.6880 0.1 1 268 65 65 LYS N N 122.1180 0.1 1 269 66 66 LEU H H 7.7050 0.01 1 270 66 66 LEU C C 177.9880 0.1 1 271 66 66 LEU N N 118.2620 0.1 1 272 67 67 PHE H H 8.0600 0.01 1 273 67 67 PHE HA H 5.2680 0.01 1 274 67 67 PHE C C 177.2560 0.1 1 275 67 67 PHE CA C 59.6890 0.1 1 276 67 67 PHE N N 118.8380 0.1 1 277 68 68 ASN H H 8.4730 0.01 1 278 68 68 ASN C C 178.7900 0.1 1 279 68 68 ASN N N 117.6910 0.1 1 280 69 69 GLN H H 7.7880 0.01 1 281 69 69 GLN C C 178.9710 0.1 1 282 69 69 GLN N N 118.4500 0.1 1 283 70 70 ASP H H 8.8570 0.01 1 284 70 70 ASP C C 179.9250 0.1 1 285 70 70 ASP N N 123.1080 0.1 1 286 71 71 VAL H H 9.0170 0.01 1 287 71 71 VAL HA H 3.5910 0.01 1 288 71 71 VAL C C 177.1730 0.1 1 289 71 71 VAL CA C 68.3900 0.1 1 290 71 71 VAL N N 125.6220 0.1 1 291 72 72 ASP H H 7.6050 0.01 1 292 72 72 ASP HA H 4.3530 0.01 1 293 72 72 ASP C C 178.6290 0.1 1 294 72 72 ASP CA C 57.6250 0.1 1 295 72 72 ASP N N 118.8290 0.1 1 296 73 73 ALA H H 8.3440 0.01 1 297 73 73 ALA HA H 4.0280 0.01 1 298 73 73 ALA C C 180.3820 0.1 1 299 73 73 ALA CA C 55.1390 0.1 1 300 73 73 ALA N N 119.8290 0.1 1 301 74 74 ALA H H 7.8770 0.01 1 302 74 74 ALA HA H 4.1670 0.01 1 303 74 74 ALA C C 179.7010 0.1 1 304 74 74 ALA CA C 54.6710 0.1 1 305 74 74 ALA N N 123.0390 0.1 1 306 75 75 VAL H H 8.1800 0.01 1 307 76 76 ARG H H 8.4160 0.01 1 308 76 76 ARG HA H 3.8150 0.01 1 309 76 76 ARG C C 178.8430 0.1 1 310 76 76 ARG N N 117.7520 0.1 1 311 77 77 GLY H H 8.0100 0.01 1 312 77 77 GLY C C 176.1370 0.1 1 313 77 77 GLY CA C 46.0570 0.1 1 314 77 77 GLY N N 105.7820 0.1 1 315 78 78 ILE H H 7.5020 0.01 1 316 78 78 ILE C C 177.1660 0.1 1 317 78 78 ILE N N 121.7650 0.1 1 318 79 79 LEU H H 7.9030 0.01 1 319 79 79 LEU HA H 3.8270 0.01 1 320 79 79 LEU C C 178.8040 0.1 1 321 79 79 LEU N N 115.1660 0.1 1 322 80 80 ARG H H 7.7070 0.01 1 323 80 80 ARG HA H 4.3270 0.01 1 324 80 80 ARG C C 175.1180 0.1 1 325 80 80 ARG N N 114.7340 0.1 1 326 81 81 ASN H H 7.4980 0.01 1 327 81 81 ASN C C 174.5810 0.1 1 328 81 81 ASN N N 120.8090 0.1 1 329 82 82 ALA H H 8.8490 0.01 1 330 82 82 ALA HA H 4.0790 0.01 1 331 82 82 ALA C C 178.9430 0.1 1 332 82 82 ALA CA C 54.8470 0.1 1 333 82 82 ALA N N 127.9020 0.1 1 334 83 83 LYS H H 8.0600 0.01 1 335 83 83 LYS HA H 4.2890 0.01 1 336 83 83 LYS C C 177.9070 0.1 1 337 83 83 LYS CA C 57.3400 0.1 1 338 83 83 LYS N N 114.1660 0.1 1 339 84 84 LEU H H 7.5310 0.01 1 340 84 84 LEU C C 178.3350 0.1 1 341 84 84 LEU N N 116.4120 0.1 1 342 85 85 LYS H H 8.4620 0.01 1 343 85 85 LYS N N 121.0800 0.1 1 344 86 86 PRO C C 179.9590 0.1 1 345 87 87 VAL H H 6.8930 0.01 1 346 87 87 VAL HA H 3.7440 0.01 1 347 87 87 VAL C C 178.5450 0.1 1 348 87 87 VAL CA C 65.5040 0.1 1 349 87 87 VAL N N 115.5660 0.1 1 350 88 88 TYR H H 8.4570 0.01 1 351 88 88 TYR HA H 3.8990 0.01 1 352 88 88 TYR C C 177.7220 0.1 1 353 88 88 TYR CA C 62.8610 0.1 1 354 88 88 TYR N N 122.5440 0.1 1 355 89 89 ASP H H 9.1030 0.01 1 356 89 89 ASP HA H 4.3210 0.01 1 357 89 89 ASP C C 177.8490 0.1 1 358 89 89 ASP N N 117.2170 0.1 1 359 90 90 SER H H 7.3650 0.01 1 360 90 90 SER HA H 4.4240 0.01 1 361 90 90 SER C C 174.3620 0.1 1 362 90 90 SER CA C 59.6550 0.1 1 363 90 90 SER N N 113.2790 0.1 1 364 91 91 LEU H H 7.4580 0.01 1 365 91 91 LEU HA H 4.4240 0.01 1 366 91 91 LEU C C 176.2680 0.1 1 367 91 91 LEU N N 123.3950 0.1 1 368 92 92 ASP H H 7.4010 0.01 1 369 92 92 ASP HA H 4.6230 0.01 1 370 92 92 ASP C C 175.5600 0.1 1 371 92 92 ASP CA C 52.1760 0.1 1 372 92 92 ASP N N 115.4560 0.1 1 373 93 93 ALA H H 8.6870 0.01 1 374 93 93 ALA HA H 3.7970 0.01 1 375 93 93 ALA C C 179.8960 0.1 1 376 93 93 ALA N N 119.7610 0.1 1 377 94 94 VAL H H 7.8220 0.01 1 378 94 94 VAL C C 177.3070 0.1 1 379 94 94 VAL CA C 65.9450 0.1 1 380 94 94 VAL N N 118.7850 0.1 1 381 95 95 ARG H H 7.7660 0.01 1 382 95 95 ARG HA H 3.5790 0.01 1 383 95 95 ARG C C 178.4240 0.1 1 384 95 95 ARG N N 119.0460 0.1 1 385 96 96 ARG H H 8.6290 0.01 1 386 96 96 ARG C C 177.9300 0.1 1 387 96 96 ARG N N 118.0340 0.1 1 388 97 97 ALA H H 7.0280 0.01 1 389 97 97 ALA HA H 4.0680 0.01 1 390 97 97 ALA C C 178.7020 0.1 1 391 97 97 ALA CA C 55.3680 0.1 1 392 97 97 ALA N N 119.9490 0.1 1 393 98 98 ALA H H 7.2000 0.01 1 394 98 98 ALA C C 177.5250 0.1 1 395 98 98 ALA CA C 55.3220 0.1 1 396 98 98 ALA N N 118.8520 0.1 1 397 99 99 ALA H H 7.7950 0.01 1 398 99 99 ALA HA H 3.5340 0.01 1 399 99 99 ALA CA C 55.5960 0.1 1 400 99 99 ALA N N 119.7280 0.1 1 401 100 100 ILE H H 8.0930 0.01 1 402 100 100 ILE HA H 3.4510 0.01 1 403 100 100 ILE C C 176.9940 0.1 1 404 100 100 ILE N N 116.2430 0.1 1 405 101 101 ASN H H 8.0970 0.01 1 406 101 101 ASN HA H 4.2580 0.01 1 407 101 101 ASN C C 177.4490 0.1 1 408 101 101 ASN CA C 56.8260 0.1 1 409 101 101 ASN N N 116.4330 0.1 1 410 102 102 MET H H 7.7190 0.01 1 411 102 102 MET HA H 3.6570 0.01 1 412 102 102 MET CA C 61.0500 0.1 1 413 102 102 MET N N 113.9360 0.1 1 414 103 103 VAL H H 7.3200 0.01 1 415 103 103 VAL C C 175.5100 0.1 1 416 103 103 VAL CA C 61.6650 0.1 1 417 103 103 VAL N N 105.5070 0.1 1 418 104 104 PHE H H 7.8770 0.01 1 419 104 104 PHE C C 176.9390 0.1 1 420 104 104 PHE N N 126.4660 0.1 1 421 105 105 GLN H H 8.5400 0.01 1 422 105 105 GLN C C 174.9430 0.1 1 423 105 105 GLN N N 119.9200 0.1 1 424 106 106 MET H H 8.8690 0.01 1 425 106 106 MET HA H 4.1460 0.01 1 426 106 106 MET C C 177.1260 0.1 1 427 106 106 MET CA C 54.7860 0.1 1 428 106 106 MET N N 117.2420 0.1 1 429 107 107 GLY H H 7.8190 0.01 1 430 107 107 GLY HA2 H 3.9520 0.01 2 431 107 107 GLY HA3 H 3.9980 0.01 2 432 107 107 GLY C C 174.8580 0.1 1 433 107 107 GLY CA C 46.0980 0.1 1 434 107 107 GLY N N 107.9630 0.1 1 435 108 108 GLU H H 8.7780 0.01 1 436 108 108 GLU C C 179.5000 0.1 1 437 108 108 GLU N N 122.9880 0.1 1 438 109 109 THR H H 8.6170 0.01 1 439 109 109 THR HA H 4.1930 0.01 1 440 109 109 THR C C 178.1490 0.1 1 441 109 109 THR CA C 65.0180 0.1 1 442 109 109 THR N N 112.0240 0.1 1 443 110 110 GLY H H 8.6310 0.01 1 444 110 110 GLY HA2 H 4.4470 0.01 2 445 110 110 GLY C C 175.7270 0.1 1 446 110 110 GLY N N 116.1550 0.1 1 447 111 111 VAL H H 8.0730 0.01 1 448 111 111 VAL HA H 3.6360 0.01 1 449 111 111 VAL C C 179.0550 0.1 1 450 111 111 VAL CA C 67.1280 0.1 1 451 111 111 VAL N N 120.4280 0.1 1 452 112 112 ALA H H 8.2970 0.01 1 453 112 112 ALA HA H 4.2150 0.01 1 454 112 112 ALA C C 180.0590 0.1 1 455 112 112 ALA CA C 55.4200 0.1 1 456 112 112 ALA N N 124.0500 0.1 1 457 113 113 GLY H H 8.2180 0.01 1 458 113 113 GLY C C 175.6560 0.1 1 459 113 113 GLY CA C 47.0180 0.1 1 460 113 113 GLY N N 105.8200 0.1 1 461 114 114 PHE H H 8.1110 0.01 1 462 114 114 PHE HA H 4.2080 0.01 1 463 114 114 PHE C C 177.3160 0.1 1 464 114 114 PHE CA C 59.8740 0.1 1 465 114 114 PHE N N 122.4410 0.1 1 466 115 115 THR H H 8.3780 0.01 1 467 115 115 THR C C 176.6110 0.1 1 468 115 115 THR CA C 66.6360 0.1 1 469 115 115 THR N N 114.6020 0.1 1 470 116 116 ASN H H 8.2760 0.01 1 471 116 116 ASN N N 119.0710 0.1 1 472 117 117 SER C C 174.8330 0.1 1 473 118 118 LEU H H 7.3360 0.01 1 474 118 118 LEU HA H 4.1720 0.01 1 475 118 118 LEU C C 177.9540 0.1 1 476 118 118 LEU N N 121.1140 0.1 1 477 119 119 ARG H H 8.3290 0.01 1 478 119 119 ARG HA H 4.0510 0.01 1 479 119 119 ARG C C 178.7200 0.1 1 480 119 119 ARG CA C 58.6210 0.1 1 481 119 119 ARG N N 117.3150 0.1 1 482 120 120 MET H H 7.4080 0.01 1 483 120 120 MET HA H 3.9690 0.01 1 484 120 120 MET C C 178.1610 0.1 1 485 120 120 MET CA C 59.0290 0.1 1 486 120 120 MET N N 115.5070 0.1 1 487 121 121 LEU H H 7.6810 0.01 1 488 121 121 LEU HA H 3.8530 0.01 1 489 121 121 LEU C C 179.8520 0.1 1 490 121 121 LEU N N 117.6390 0.1 1 491 122 122 GLN H H 8.6890 0.01 1 492 122 122 GLN HA H 3.9450 0.01 1 493 122 122 GLN C C 176.9760 0.1 1 494 122 122 GLN CA C 59.3900 0.1 1 495 122 122 GLN N N 120.4230 0.1 1 496 123 123 GLN H H 7.2510 0.01 1 497 123 123 GLN HA H 4.0720 0.01 1 498 123 123 GLN C C 174.4550 0.1 1 499 123 123 GLN CA C 55.1800 0.1 1 500 123 123 GLN N N 113.6310 0.1 1 501 124 124 LYS H H 7.2910 0.01 1 502 124 124 LYS C C 174.9100 0.1 1 503 124 124 LYS N N 114.7450 0.1 1 504 125 125 ARG H H 7.7150 0.01 1 505 125 125 ARG HA H 4.2370 0.01 1 506 125 125 ARG C C 177.1820 0.1 1 507 125 125 ARG CA C 54.1860 0.1 1 508 125 125 ARG N N 119.5330 0.1 1 509 126 126 TRP H H 6.8880 0.01 1 510 126 126 TRP C C 178.8910 0.1 1 511 126 126 TRP N N 119.2320 0.1 1 512 127 127 ASP H H 8.5480 0.01 1 513 127 127 ASP HA H 4.4160 0.01 1 514 127 127 ASP C C 178.8540 0.1 1 515 127 127 ASP CA C 57.6900 0.1 1 516 127 127 ASP N N 116.4810 0.1 1 517 128 128 GLU H H 8.3110 0.01 1 518 128 128 GLU HA H 3.9530 0.01 1 519 128 128 GLU C C 179.9450 0.1 1 520 128 128 GLU CA C 59.5560 0.1 1 521 128 128 GLU N N 120.5650 0.1 1 522 129 129 ALA H H 8.6300 0.01 1 523 129 129 ALA HA H 4.0080 0.01 1 524 129 129 ALA C C 178.6730 0.1 1 525 129 129 ALA N N 122.2620 0.1 1 526 130 130 ALA H H 8.2630 0.01 1 527 130 130 ALA C C 179.7890 0.1 1 528 130 130 ALA CA C 55.6910 0.1 1 529 130 130 ALA N N 119.5150 0.1 1 530 131 131 VAL H H 7.8830 0.01 1 531 131 131 VAL HA H 3.5790 0.01 1 532 131 131 VAL C C 178.3410 0.1 1 533 131 131 VAL CA C 66.1220 0.1 1 534 131 131 VAL N N 117.5840 0.1 1 535 132 132 ASN HA H 4.3280 0.01 1 536 132 132 ASN C C 178.9690 0.1 1 537 132 132 ASN CA C 56.8250 0.1 1 538 132 132 ASN N N 118.2670 0.1 1 539 133 133 LEU H H 8.8680 0.01 1 540 133 133 LEU C C 179.6580 0.1 1 541 133 133 LEU N N 121.1570 0.1 1 542 134 134 ALA H H 7.7200 0.01 1 543 134 134 ALA C C 177.0270 0.1 1 544 134 134 ALA N N 121.5510 0.1 1 545 135 135 LYS H H 7.2760 0.01 1 546 135 135 LYS HA H 4.4070 0.01 1 547 135 135 LYS C C 176.8090 0.1 1 548 135 135 LYS CA C 55.9120 0.1 1 549 135 135 LYS N N 115.1440 0.1 1 550 136 136 SER H H 7.5500 0.01 1 551 136 136 SER HA H 4.4270 0.01 1 552 136 136 SER C C 174.3510 0.1 1 553 136 136 SER CA C 58.9220 0.1 1 554 136 136 SER N N 115.6940 0.1 1 555 137 137 ARG H H 8.6940 0.01 1 556 137 137 ARG HA H 4.2480 0.01 1 557 137 137 ARG C C 178.4620 0.1 1 558 137 137 ARG CA C 58.5670 0.1 1 559 137 137 ARG N N 122.4100 0.1 1 560 138 138 TRP H H 8.4760 0.01 1 561 138 138 TRP HA H 4.1820 0.01 1 562 138 138 TRP C C 175.7100 0.1 1 563 138 138 TRP CA C 62.1000 0.1 1 564 138 138 TRP N N 119.8840 0.1 1 565 139 139 TYR H H 7.8510 0.01 1 566 139 139 TYR HA H 3.0000 0.01 1 567 139 139 TYR C C 175.7010 0.1 1 568 139 139 TYR CA C 60.1960 0.1 1 569 139 139 TYR N N 118.7150 0.1 1 570 140 140 ASN C C 176.5210 0.1 1 571 140 140 ASN N N 111.8110 0.1 1 572 141 141 GLN H H 7.7790 0.01 1 573 141 141 GLN C C 176.5980 0.1 1 574 141 141 GLN N N 117.4210 0.1 1 575 142 142 THR H H 7.0460 0.01 1 576 142 142 THR N N 111.4220 0.1 1 577 143 143 PRO HA H 3.9440 0.01 1 578 143 143 PRO C C 178.4630 0.1 1 579 144 144 ASN H H 8.1940 0.01 1 580 144 144 ASN C C 177.4800 0.1 1 581 144 144 ASN CA C 56.1040 0.1 1 582 144 144 ASN N N 116.4890 0.1 1 583 145 145 ARG H H 7.8540 0.01 1 584 145 145 ARG HA H 3.9020 0.01 1 585 145 145 ARG C C 176.9370 0.1 1 586 145 145 ARG CA C 57.5610 0.1 1 587 145 145 ARG N N 121.9000 0.1 1 588 146 146 ALA H H 8.4390 0.01 1 589 146 146 ALA HA H 3.9850 0.01 1 590 146 146 ALA C C 179.3670 0.1 1 591 146 146 ALA CA C 55.2860 0.1 1 592 146 146 ALA N N 119.1190 0.1 1 593 147 147 LYS H H 8.0660 0.01 1 594 147 147 LYS C C 180.0520 0.1 1 595 147 147 LYS CA C 60.6440 0.1 1 596 147 147 LYS N N 116.6000 0.1 1 597 148 148 ARG H H 7.4890 0.01 1 598 148 148 ARG HA H 3.7740 0.01 1 599 148 148 ARG C C 180.2110 0.1 1 600 148 148 ARG CA C 60.4160 0.1 1 601 148 148 ARG N N 119.3270 0.1 1 602 149 149 VAL H H 8.8760 0.01 1 603 149 149 VAL HA H 3.3890 0.01 1 604 149 149 VAL C C 178.5230 0.1 1 605 149 149 VAL CA C 68.2950 0.1 1 606 149 149 VAL N N 125.2040 0.1 1 607 150 150 ILE H H 9.3220 0.01 1 608 150 150 ILE HA H 3.8930 0.01 1 609 150 150 ILE C C 178.5410 0.1 1 610 150 150 ILE N N 121.0360 0.1 1 611 151 151 THR H H 8.3820 0.01 1 612 151 151 THR C C 176.4180 0.1 1 613 151 151 THR CA C 67.4950 0.1 1 614 151 151 THR N N 117.9320 0.1 1 615 152 152 THR H H 7.9820 0.01 1 616 152 152 THR HA H 4.1170 0.01 1 617 152 152 THR C C 176.3280 0.1 1 618 152 152 THR CA C 67.6460 0.1 1 619 152 152 THR N N 121.7690 0.1 1 620 153 153 PHE H H 8.4100 0.01 1 621 153 153 PHE C C 177.8480 0.1 1 622 153 153 PHE N N 120.5090 0.1 1 623 154 154 ARG H H 8.7330 0.01 1 624 154 154 ARG C C 178.3890 0.1 1 625 154 154 ARG CA C 59.7720 0.1 1 626 154 154 ARG N N 117.9470 0.1 1 627 155 155 THR H H 8.2190 0.01 1 628 155 155 THR HA H 4.2350 0.01 1 629 155 155 THR C C 176.7050 0.1 1 630 155 155 THR CA C 62.2250 0.1 1 631 155 155 THR N N 105.0550 0.1 1 632 156 156 GLY H H 8.5000 0.01 1 633 156 156 GLY HA3 H 3.2320 0.01 2 634 156 156 GLY C C 172.9010 0.1 1 635 156 156 GLY N N 111.7120 0.1 1 636 157 157 THR H H 7.5680 0.01 1 637 157 157 THR HA H 4.6460 0.01 1 638 157 157 THR C C 174.0420 0.1 1 639 157 157 THR CA C 58.7450 0.1 1 640 157 157 THR N N 108.3670 0.1 1 641 158 158 TRP H H 8.5120 0.01 1 642 158 158 TRP HA H 5.0240 0.01 1 643 158 158 TRP C C 178.0880 0.1 1 644 158 158 TRP CA C 56.1380 0.1 1 645 158 158 TRP N N 117.8640 0.1 1 646 159 159 ASP H H 7.9720 0.01 1 647 159 159 ASP HA H 4.1960 0.01 1 648 159 159 ASP C C 177.4300 0.1 1 649 159 159 ASP CA C 58.6580 0.1 1 650 159 159 ASP N N 119.5220 0.1 1 651 160 160 ALA H H 9.1430 0.01 1 652 160 160 ALA HA H 4.1730 0.01 1 653 160 160 ALA C C 177.2930 0.1 1 654 160 160 ALA CA C 53.5800 0.1 1 655 160 160 ALA N N 119.9390 0.1 1 656 161 161 TYR H H 8.0710 0.01 1 657 161 161 TYR C C 175.0780 0.1 1 658 161 161 TYR N N 113.6130 0.1 1 659 162 162 LYS H H 7.2660 0.01 1 660 162 162 LYS C C 176.1240 0.1 1 661 162 162 LYS N N 119.5590 0.1 1 662 163 163 ASN H H 8.6290 0.01 1 663 163 163 ASN HA H 4.5270 0.01 1 664 163 163 ASN C C 173.6710 0.1 1 665 163 163 ASN CA C 54.0410 0.1 1 666 163 163 ASN N N 116.6630 0.1 1 667 164 164 LEU H H 7.4350 0.01 1 668 164 164 LEU N N 125.8240 0.1 1 stop_ save_