data_17603 ####################### # 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 17603 _BMRB_flat_file_name bmr17603.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/G113A/R119P Structural model' 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" 327 "13C chemical shifts" 474 "15N chemical shifts" 159 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 17604 T4_L99A stop_ _Original_release_date 2011-04-28 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/G113A/R119P _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label T4_L99A/G113A/R119P $T4_L99A_G113A_R119P 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_G113A_R119P _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common T4_L99A/G113A/R119P _Molecular_mass 18540.383 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAAFTNSLPM 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 ALA 114 PHE 115 THR 116 ASN 117 SER 118 LEU 119 PRO 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_G113A_R119P 'T4 Phage' . Viruses . T4 Phage 'Mutant of T4 Phage Lysozyme' 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_G113A_R119P '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_G113A_R119P 1.5 mM '[U-100% 13C; U-100% 15N]' 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_ ############################ # 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 'chemical shift assignment' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_ ############################# # 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_JMOD_C'Cg_7 _Saveframe_category NMR_applied_experiment _Experiment_name "JMOD C'Cg" _Sample_label $sample_1 save_ save_JMDO_NCg_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'JMDO NCg' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 85 . mM pH 5.5 . pH pressure 1 . atm temperature 307 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 85 . mM pH 5.5 . pH pressure 1 . atm temperature 308 . 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 4.687 internal indirect . . . 0.251449530 water H 1 protons ppm 4.687 internal direct . . . 1.0 water N 15 protons ppm 4.687 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 HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name T4_L99A/G113A/R119P _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 3.749 0.001 1 2 1 1 MET C C 170.270 0.01 1 3 1 1 MET CA C 53.689 0.01 1 4 1 1 MET CB C 30.544 0.01 1 5 2 2 ASN H H 6.923 0.001 1 6 2 2 ASN HA H 4.467 0.001 1 7 2 2 ASN C C 174.640 0.01 1 8 2 2 ASN CA C 51.914 0.01 1 9 2 2 ASN CB C 40.244 0.01 1 10 2 2 ASN N N 115.826 0.01 1 11 3 3 ILE H H 8.815 0.001 1 12 3 3 ILE HA H 4.077 0.001 1 13 3 3 ILE C C 174.099 0.01 1 14 3 3 ILE CA C 61.631 0.01 1 15 3 3 ILE CB C 38.192 0.01 1 16 3 3 ILE N N 116.880 0.01 1 17 4 4 PHE H H 7.336 0.001 1 18 4 4 PHE HA H 4.029 0.001 1 19 4 4 PHE C C 177.093 0.01 1 20 4 4 PHE CA C 61.008 0.01 1 21 4 4 PHE CB C 38.160 0.01 1 22 4 4 PHE N N 121.992 0.01 1 23 5 5 GLU H H 7.892 0.001 1 24 5 5 GLU HA H 3.781 0.001 1 25 5 5 GLU C C 178.340 0.01 1 26 5 5 GLU CA C 58.649 0.01 1 27 5 5 GLU CB C 30.356 0.01 1 28 5 5 GLU N N 118.284 0.01 1 29 6 6 MET H H 7.946 0.001 1 30 6 6 MET HA H 3.314 0.001 1 31 6 6 MET C C 177.078 0.01 1 32 6 6 MET CA C 58.988 0.01 1 33 6 6 MET CB C 34.498 0.01 1 34 6 6 MET N N 118.546 0.01 1 35 7 7 LEU H H 7.969 0.001 1 36 7 7 LEU HA H 3.968 0.001 1 37 7 7 LEU C C 178.579 0.01 1 38 7 7 LEU CA C 57.605 0.01 1 39 7 7 LEU CB C 41.894 0.01 1 40 7 7 LEU N N 116.516 0.01 1 41 8 8 ARG H H 8.161 0.001 1 42 8 8 ARG HA H 3.559 0.001 1 43 8 8 ARG C C 180.018 0.01 1 44 8 8 ARG CA C 60.246 0.01 1 45 8 8 ARG CB C 29.518 0.01 1 46 8 8 ARG N N 120.793 0.01 1 47 9 9 ILE H H 7.628 0.001 1 48 9 9 ILE HA H 3.573 0.001 1 49 9 9 ILE C C 177.878 0.01 1 50 9 9 ILE CA C 65.276 0.01 1 51 9 9 ILE CB C 38.273 0.01 1 52 9 9 ILE N N 120.805 0.01 1 53 10 10 ASP H H 7.999 0.001 1 54 10 10 ASP HA H 4.406 0.001 1 55 10 10 ASP C C 178.041 0.01 1 56 10 10 ASP CA C 58.294 0.01 1 57 10 10 ASP CB C 41.871 0.01 1 58 10 10 ASP N N 118.172 0.01 1 59 11 11 GLU H H 8.855 0.001 1 60 11 11 GLU HA H 4.641 0.001 1 61 11 11 GLU C C 178.197 0.01 1 62 11 11 GLU CA C 56.104 0.01 1 63 11 11 GLU CB C 31.095 0.01 1 64 11 11 GLU N N 115.562 0.01 1 65 12 12 GLY H H 7.550 0.001 1 66 12 12 GLY HA2 H 3.995 0.001 2 67 12 12 GLY HA3 H 3.734 0.001 2 68 12 12 GLY C C 170.049 0.01 1 69 12 12 GLY CA C 44.694 0.01 1 70 12 12 GLY N N 109.971 0.01 1 71 13 13 LEU H H 7.755 0.001 1 72 13 13 LEU HA H 4.458 0.001 1 73 13 13 LEU C C 175.566 0.01 1 74 13 13 LEU CA C 54.572 0.01 1 75 13 13 LEU CB C 43.867 0.01 1 76 13 13 LEU N N 117.547 0.01 1 77 14 14 ARG H H 8.214 0.001 1 78 14 14 ARG HA H 4.685 0.001 1 79 14 14 ARG C C 175.979 0.01 1 80 14 14 ARG CA C 54.263 0.01 1 81 14 14 ARG CB C 32.818 0.01 1 82 14 14 ARG N N 126.722 0.01 1 83 15 15 LEU H H 8.823 0.001 1 84 15 15 LEU HA H 4.345 0.001 1 85 15 15 LEU C C 173.808 0.01 1 86 15 15 LEU CA C 54.773 0.01 1 87 15 15 LEU CB C 39.772 0.01 1 88 15 15 LEU N N 123.112 0.01 1 89 16 16 LYS H H 7.124 0.001 1 90 16 16 LYS HA H 5.356 0.001 1 91 16 16 LYS C C 176.072 0.01 1 92 16 16 LYS CA C 53.873 0.01 1 93 16 16 LYS CB C 35.961 0.01 1 94 16 16 LYS N N 115.048 0.01 1 95 17 17 ILE H H 7.555 0.001 1 96 17 17 ILE HA H 4.108 0.001 1 97 17 17 ILE C C 174.826 0.01 1 98 17 17 ILE CA C 63.946 0.01 1 99 17 17 ILE CB C 38.482 0.01 1 100 17 17 ILE N N 120.916 0.01 1 101 18 18 TYR H H 9.340 0.001 1 102 18 18 TYR HA H 5.076 0.001 1 103 18 18 TYR C C 172.698 0.01 1 104 18 18 TYR CA C 55.606 0.01 1 105 18 18 TYR CB C 41.514 0.01 1 106 18 18 TYR N N 128.021 0.01 1 107 19 19 LYS H H 8.260 0.001 1 108 19 19 LYS HA H 4.533 0.001 1 109 19 19 LYS C C 175.823 0.01 1 110 19 19 LYS CA C 55.106 0.01 1 111 19 19 LYS CB C 34.220 0.01 1 112 19 19 LYS N N 122.578 0.01 1 113 20 20 ASP H H 8.517 0.001 1 114 20 20 ASP HA H 4.591 0.001 1 115 20 20 ASP C C 178.065 0.01 1 116 20 20 ASP CA C 52.784 0.01 1 117 20 20 ASP CB C 40.920 0.01 1 118 20 20 ASP N N 125.695 0.01 1 119 21 21 THR H H 7.953 0.001 1 120 21 21 THR HA H 3.982 0.001 1 121 21 21 THR C C 175.854 0.01 1 122 21 21 THR CA C 65.025 0.01 1 123 21 21 THR CB C 68.796 0.01 1 124 21 21 THR N N 110.206 0.01 1 125 22 22 GLU H H 8.013 0.001 1 126 22 22 GLU HA H 4.173 0.001 1 127 22 22 GLU C C 175.597 0.01 1 128 22 22 GLU CA C 56.298 0.01 1 129 22 22 GLU CB C 30.353 0.01 1 130 22 22 GLU N N 120.359 0.01 1 131 23 23 GLY H H 7.841 0.001 1 132 23 23 GLY HA2 H 3.291 0.001 2 133 23 23 GLY HA3 H 3.991 0.001 2 134 23 23 GLY C C 173.526 0.01 1 135 23 23 GLY CA C 44.966 0.01 1 136 23 23 GLY N N 106.729 0.01 1 137 24 24 TYR H H 8.116 0.001 1 138 24 24 TYR HA H 4.875 0.001 1 139 24 24 TYR C C 177.535 0.01 1 140 24 24 TYR CA C 55.243 0.01 1 141 24 24 TYR CB C 38.301 0.01 1 142 24 24 TYR N N 120.577 0.01 1 143 25 25 TYR H H 8.679 0.001 1 144 25 25 TYR HA H 4.935 0.001 1 145 25 25 TYR C C 175.310 0.01 1 146 25 25 TYR CA C 59.794 0.01 1 147 25 25 TYR CB C 39.893 0.01 1 148 25 25 TYR N N 122.385 0.01 1 149 26 26 THR H H 9.362 0.001 1 150 26 26 THR HA H 5.179 0.001 1 151 26 26 THR C C 180.259 0.01 1 152 26 26 THR CA C 61.015 0.01 1 153 26 26 THR CB C 72.424 0.01 1 154 26 26 THR N N 120.628 0.01 1 155 27 27 ILE H H 8.814 0.001 1 156 27 27 ILE HA H 4.546 0.001 1 157 27 27 ILE C C 172.440 0.01 1 158 27 27 ILE CA C 60.507 0.01 1 159 27 27 ILE CB C 43.183 0.01 1 160 27 27 ILE N N 120.468 0.01 1 161 28 28 GLY H H 8.553 0.001 1 162 28 28 GLY HA2 H 4.199 0.001 2 163 28 28 GLY HA3 H 3.507 0.001 2 164 28 28 GLY C C 174.772 0.01 1 165 28 28 GLY CA C 45.997 0.01 1 166 28 28 GLY N N 112.172 0.01 1 167 29 29 ILE H H 10.142 0.001 1 168 29 29 ILE HA H 4.826 0.001 1 169 29 29 ILE C C 176.677 0.01 1 170 29 29 ILE CA C 59.212 0.01 1 171 29 29 ILE CB C 35.861 0.01 1 172 29 29 ILE N N 133.320 0.01 1 173 30 30 GLY H H 8.121 0.001 1 174 30 30 GLY HA2 H 4.066 0.001 2 175 30 30 GLY HA3 H 3.685 0.001 2 176 30 30 GLY C C 173.131 0.01 1 177 30 30 GLY CA C 47.191 0.01 1 178 30 30 GLY N N 108.192 0.01 1 179 31 31 HIS H H 8.266 0.001 1 180 31 31 HIS HA H 4.301 0.001 1 181 31 31 HIS C C 173.495 0.01 1 182 31 31 HIS CA C 56.674 0.01 1 183 31 31 HIS CB C 27.571 0.01 1 184 31 31 HIS N N 115.740 0.01 1 185 32 32 LEU H H 7.873 0.001 1 186 32 32 LEU HA H 4.089 0.001 1 187 32 32 LEU C C 176.486 0.01 1 188 32 32 LEU CA C 55.840 0.01 1 189 32 32 LEU CB C 41.934 0.01 1 190 32 32 LEU N N 132.140 0.01 1 191 33 33 LEU H H 9.060 0.001 1 192 33 33 LEU HA H 4.436 0.001 1 193 33 33 LEU C C 176.139 0.01 1 194 33 33 LEU CA C 55.682 0.01 1 195 33 33 LEU CB C 43.449 0.01 1 196 33 33 LEU N N 125.594 0.01 1 197 34 34 THR H H 7.266 0.001 1 198 34 34 THR HA H 4.485 0.001 1 199 34 34 THR C C 171.666 0.01 1 200 34 34 THR CA C 60.278 0.01 1 201 34 34 THR CB C 67.479 0.01 1 202 34 34 THR N N 109.512 0.01 1 203 35 35 LYS H H 8.556 0.001 1 204 35 35 LYS HA H 4.294 0.001 1 205 35 35 LYS C C 176.714 0.01 1 206 35 35 LYS CA C 56.355 0.01 1 207 35 35 LYS CB C 32.386 0.01 1 208 35 35 LYS N N 125.041 0.01 1 209 36 36 SER H H 8.671 0.001 1 210 36 36 SER CA C 57.016 0.01 1 211 36 36 SER CB C 64.053 0.01 1 212 36 36 SER N N 119.417 0.01 1 213 37 37 PRO HA H 4.834 0.001 1 214 37 37 PRO C C 177.182 0.01 1 215 37 37 PRO CA C 63.717 0.01 1 216 37 37 PRO CB C 30.652 0.01 1 217 38 38 SER H H 8.189 0.001 1 218 38 38 SER HA H 4.703 0.001 1 219 38 38 SER C C 174.405 0.01 1 220 38 38 SER CA C 56.494 0.01 1 221 38 38 SER CB C 63.608 0.01 1 222 38 38 SER N N 116.310 0.01 1 223 39 39 LEU H H 8.916 0.001 1 224 39 39 LEU HA H 3.355 0.001 1 225 39 39 LEU C C 178.441 0.01 1 226 39 39 LEU CA C 57.258 0.01 1 227 39 39 LEU CB C 41.485 0.01 1 228 39 39 LEU N N 132.784 0.01 1 229 40 40 ASN H H 8.255 0.001 1 230 40 40 ASN HA H 4.263 0.001 1 231 40 40 ASN C C 178.226 0.01 1 232 40 40 ASN CA C 56.338 0.01 1 233 40 40 ASN CB C 37.723 0.01 1 234 40 40 ASN N N 116.840 0.01 1 235 41 41 ALA H H 7.710 0.001 1 236 41 41 ALA HA H 4.194 0.001 1 237 41 41 ALA C C 179.835 0.01 1 238 41 41 ALA CA C 54.868 0.01 1 239 41 41 ALA CB C 17.872 0.01 1 240 41 41 ALA N N 123.964 0.01 1 241 42 42 ALA H H 7.571 0.001 1 242 42 42 ALA HA H 3.750 0.001 1 243 42 42 ALA C C 178.838 0.01 1 244 42 42 ALA CA C 55.533 0.01 1 245 42 42 ALA CB C 18.576 0.01 1 246 42 42 ALA N N 121.099 0.01 1 247 43 43 LYS H H 8.377 0.001 1 248 43 43 LYS HA H 3.654 0.001 1 249 43 43 LYS C C 177.511 0.01 1 250 43 43 LYS CA C 60.659 0.01 1 251 43 43 LYS CB C 32.427 0.01 1 252 43 43 LYS N N 117.308 0.01 1 253 44 44 SER H H 7.895 0.001 1 254 44 44 SER HA H 4.256 0.001 1 255 44 44 SER C C 177.894 0.01 1 256 44 44 SER CA C 61.764 0.01 1 257 44 44 SER CB C 62.722 0.01 1 258 44 44 SER N N 114.066 0.01 1 259 45 45 GLU H H 7.988 0.001 1 260 45 45 GLU HA H 4.107 0.001 1 261 45 45 GLU C C 179.336 0.01 1 262 45 45 GLU CA C 58.426 0.01 1 263 45 45 GLU CB C 29.348 0.01 1 264 45 45 GLU N N 120.349 0.01 1 265 46 46 LEU H H 8.286 0.001 1 266 46 46 LEU HA H 3.938 0.001 1 267 46 46 LEU C C 177.291 0.01 1 268 46 46 LEU CA C 57.649 0.01 1 269 46 46 LEU CB C 41.616 0.01 1 270 46 46 LEU N N 122.887 0.01 1 271 47 47 ASP H H 8.553 0.001 1 272 47 47 ASP HA H 4.760 0.001 1 273 47 47 ASP C C 180.926 0.01 1 274 47 47 ASP CA C 57.318 0.01 1 275 47 47 ASP CB C 40.029 0.01 1 276 47 47 ASP N N 120.418 0.01 1 277 48 48 LYS H H 7.747 0.001 1 278 48 48 LYS HA H 4.003 0.001 1 279 48 48 LYS C C 178.198 0.01 1 280 48 48 LYS CA C 59.181 0.01 1 281 48 48 LYS CB C 32.704 0.01 1 282 48 48 LYS N N 120.743 0.01 1 283 49 49 ALA H H 7.925 0.001 1 284 49 49 ALA HA H 4.156 0.001 1 285 49 49 ALA C C 179.386 0.01 1 286 49 49 ALA CA C 54.472 0.01 1 287 49 49 ALA CB C 18.234 0.01 1 288 49 49 ALA N N 121.258 0.01 1 289 50 50 ILE H H 8.323 0.001 1 290 50 50 ILE HA H 4.078 0.001 1 291 50 50 ILE C C 177.205 0.01 1 292 50 50 ILE CA C 59.102 0.01 1 293 50 50 ILE CB C 37.294 0.01 1 294 50 50 ILE N N 114.806 0.01 1 295 51 51 GLY H H 8.340 0.001 1 296 51 51 GLY HA2 H 4.143 0.001 2 297 51 51 GLY HA3 H 3.761 0.001 2 298 51 51 GLY C C 173.771 0.01 1 299 51 51 GLY CA C 45.922 0.01 1 300 51 51 GLY N N 109.238 0.01 1 301 52 52 ARG H H 7.656 0.001 1 302 52 52 ARG HA H 4.557 0.001 1 303 52 52 ARG C C 172.391 0.01 1 304 52 52 ARG CA C 54.080 0.01 1 305 52 52 ARG CB C 32.207 0.01 1 306 52 52 ARG N N 115.526 0.01 1 307 53 53 ASN H H 8.241 0.001 1 308 53 53 ASN HA H 4.696 0.001 1 309 53 53 ASN C C 175.491 0.01 1 310 53 53 ASN CA C 53.151 0.01 1 311 53 53 ASN CB C 37.677 0.01 1 312 53 53 ASN N N 115.684 0.01 1 313 54 54 THR H H 9.034 0.001 1 314 54 54 THR HA H 4.300 0.001 1 315 54 54 THR C C 177.264 0.01 1 316 54 54 THR CA C 63.701 0.01 1 317 54 54 THR CB C 70.615 0.01 1 318 54 54 THR N N 119.609 0.01 1 319 55 55 ASN H H 9.426 0.001 1 320 55 55 ASN HA H 4.384 0.001 1 321 55 55 ASN C C 175.774 0.01 1 322 55 55 ASN CA C 54.426 0.01 1 323 55 55 ASN CB C 38.645 0.01 1 324 55 55 ASN N N 120.027 0.01 1 325 56 56 GLY H H 8.662 0.001 1 326 56 56 GLY HA2 H 3.281 0.001 2 327 56 56 GLY HA3 H 4.150 0.001 2 328 56 56 GLY C C 172.072 0.01 1 329 56 56 GLY CA C 46.186 0.01 1 330 56 56 GLY N N 103.056 0.01 1 331 57 57 VAL H H 7.444 0.001 1 332 57 57 VAL HA H 5.129 0.001 1 333 57 57 VAL C C 174.971 0.01 1 334 57 57 VAL CA C 61.021 0.01 1 335 57 57 VAL CB C 35.171 0.01 1 336 57 57 VAL N N 119.999 0.01 1 337 58 58 ILE H H 8.562 0.001 1 338 58 58 ILE HA H 4.846 0.001 1 339 58 58 ILE C C 175.376 0.01 1 340 58 58 ILE CA C 58.639 0.01 1 341 58 58 ILE CB C 41.872 0.01 1 342 58 58 ILE N N 116.746 0.01 1 343 59 59 THR H H 8.682 0.001 1 344 59 59 THR HA H 4.632 0.001 1 345 59 59 THR C C 176.431 0.01 1 346 59 59 THR CA C 59.899 0.01 1 347 59 59 THR CB C 71.419 0.01 1 348 59 59 THR N N 109.208 0.01 1 349 60 60 LYS H H 9.097 0.001 1 350 60 60 LYS HA H 3.839 0.001 1 351 60 60 LYS C C 178.238 0.01 1 352 60 60 LYS CA C 60.763 0.01 1 353 60 60 LYS CB C 32.016 0.01 1 354 60 60 LYS N N 121.442 0.01 1 355 61 61 ASP H H 8.234 0.001 1 356 61 61 ASP HA H 4.367 0.001 1 357 61 61 ASP C C 179.613 0.01 1 358 61 61 ASP CA C 57.355 0.01 1 359 61 61 ASP CB C 40.521 0.01 1 360 61 61 ASP N N 117.513 0.01 1 361 62 62 GLU H H 7.725 0.001 1 362 62 62 GLU HA H 3.889 0.001 1 363 62 62 GLU C C 178.900 0.01 1 364 62 62 GLU CA C 59.050 0.01 1 365 62 62 GLU CB C 29.483 0.01 1 366 62 62 GLU N N 121.613 0.01 1 367 63 63 ALA H H 8.500 0.001 1 368 63 63 ALA HA H 3.884 0.001 1 369 63 63 ALA C C 180.712 0.01 1 370 63 63 ALA CA C 55.102 0.01 1 371 63 63 ALA CB C 18.491 0.01 1 372 63 63 ALA N N 121.265 0.01 1 373 64 64 GLU H H 8.412 0.001 1 374 64 64 GLU HA H 4.094 0.001 1 375 64 64 GLU C C 177.848 0.01 1 376 64 64 GLU CA C 59.757 0.01 1 377 64 64 GLU CB C 29.113 0.01 1 378 64 64 GLU N N 120.135 0.01 1 379 65 65 LYS H H 7.853 0.001 1 380 65 65 LYS HA H 4.152 0.001 1 381 65 65 LYS C C 179.601 0.01 1 382 65 65 LYS CA C 60.118 0.01 1 383 65 65 LYS CB C 32.320 0.01 1 384 65 65 LYS N N 122.023 0.01 1 385 66 66 LEU H H 7.822 0.001 1 386 66 66 LEU HA H 3.933 0.001 1 387 66 66 LEU C C 177.920 0.01 1 388 66 66 LEU CA C 57.502 0.01 1 389 66 66 LEU CB C 42.380 0.01 1 390 66 66 LEU N N 118.739 0.01 1 391 67 67 PHE H H 8.075 0.001 1 392 67 67 PHE HA H 5.195 0.001 1 393 67 67 PHE C C 177.421 0.01 1 394 67 67 PHE CA C 59.933 0.01 1 395 67 67 PHE CB C 39.975 0.01 1 396 67 67 PHE N N 119.050 0.01 1 397 68 68 ASN H H 8.505 0.001 1 398 68 68 ASN HA H 4.249 0.001 1 399 68 68 ASN C C 178.777 0.01 1 400 68 68 ASN CA C 57.058 0.01 1 401 68 68 ASN CB C 38.491 0.01 1 402 68 68 ASN N N 118.041 0.01 1 403 69 69 GLN H H 7.763 0.001 1 404 69 69 GLN HA H 4.179 0.001 1 405 69 69 GLN C C 178.938 0.01 1 406 69 69 GLN CA C 58.889 0.01 1 407 69 69 GLN CB C 28.552 0.01 1 408 69 69 GLN N N 118.812 0.01 1 409 70 70 ASP H H 8.757 0.001 1 410 70 70 ASP HA H 4.499 0.001 1 411 70 70 ASP C C 180.101 0.01 1 412 70 70 ASP CA C 57.042 0.01 1 413 70 70 ASP CB C 40.440 0.01 1 414 70 70 ASP N N 123.281 0.01 1 415 71 71 VAL H H 9.015 0.001 1 416 71 71 VAL HA H 3.596 0.001 1 417 71 71 VAL C C 177.160 0.01 1 418 71 71 VAL CA C 68.009 0.01 1 419 71 71 VAL CB C 31.583 0.01 1 420 71 71 VAL N N 125.532 0.01 1 421 72 72 ASP H H 7.599 0.001 1 422 72 72 ASP HA H 4.362 0.001 1 423 72 72 ASP C C 178.561 0.01 1 424 72 72 ASP CA C 57.323 0.01 1 425 72 72 ASP CB C 41.083 0.01 1 426 72 72 ASP N N 119.221 0.01 1 427 73 73 ALA H H 8.276 0.001 1 428 73 73 ALA HA H 3.999 0.001 1 429 73 73 ALA C C 180.491 0.01 1 430 73 73 ALA CA C 55.086 0.01 1 431 73 73 ALA CB C 18.522 0.01 1 432 73 73 ALA N N 120.038 0.01 1 433 74 74 ALA H H 7.925 0.001 1 434 74 74 ALA HA H 4.163 0.001 1 435 74 74 ALA C C 178.997 0.01 1 436 74 74 ALA CA C 54.827 0.01 1 437 74 74 ALA CB C 18.430 0.01 1 438 74 74 ALA N N 123.435 0.01 1 439 75 75 VAL H H 8.141 0.001 1 440 75 75 VAL HA H 3.231 0.001 1 441 75 75 VAL C C 178.108 0.01 1 442 75 75 VAL CA C 67.042 0.01 1 443 75 75 VAL CB C 31.838 0.01 1 444 75 75 VAL N N 118.091 0.01 1 445 76 76 ARG H H 8.358 0.001 1 446 76 76 ARG HA H 3.801 0.001 1 447 76 76 ARG C C 178.816 0.01 1 448 76 76 ARG CA C 59.912 0.01 1 449 76 76 ARG CB C 30.226 0.01 1 450 76 76 ARG N N 117.779 0.01 1 451 77 77 GLY H H 7.999 0.001 1 452 77 77 GLY HA2 H 3.714 0.001 2 453 77 77 GLY HA3 H 3.867 0.001 2 454 77 77 GLY C C 176.097 0.01 1 455 77 77 GLY CA C 46.674 0.01 1 456 77 77 GLY N N 105.669 0.01 1 457 78 78 ILE H H 7.579 0.001 1 458 78 78 ILE HA H 3.643 0.001 1 459 78 78 ILE C C 177.194 0.01 1 460 78 78 ILE CA C 65.222 0.01 1 461 78 78 ILE CB C 37.962 0.01 1 462 78 78 ILE N N 122.001 0.01 1 463 79 79 LEU H H 7.929 0.001 1 464 79 79 LEU HA H 3.760 0.001 1 465 79 79 LEU C C 178.673 0.01 1 466 79 79 LEU CA C 57.217 0.01 1 467 79 79 LEU CB C 41.444 0.01 1 468 79 79 LEU N N 115.459 0.01 1 469 80 80 ARG H H 7.680 0.001 1 470 80 80 ARG HA H 4.256 0.001 1 471 80 80 ARG C C 175.076 0.01 1 472 80 80 ARG CA C 56.029 0.01 1 473 80 80 ARG CB C 30.375 0.01 1 474 80 80 ARG N N 114.830 0.01 1 475 81 81 ASN H H 7.516 0.001 1 476 81 81 ASN HA H 4.759 0.001 1 477 81 81 ASN C C 174.612 0.01 1 478 81 81 ASN CA C 52.514 0.01 1 479 81 81 ASN CB C 39.799 0.01 1 480 81 81 ASN N N 120.935 0.01 1 481 82 82 ALA H H 8.784 0.001 1 482 82 82 ALA HA H 4.072 0.001 1 483 82 82 ALA C C 178.837 0.01 1 484 82 82 ALA CA C 54.885 0.01 1 485 82 82 ALA CB C 18.977 0.01 1 486 82 82 ALA N N 128.007 0.01 1 487 83 83 LYS H H 8.075 0.001 1 488 83 83 LYS HA H 4.231 0.001 1 489 83 83 LYS C C 177.362 0.01 1 490 83 83 LYS CA C 57.565 0.01 1 491 83 83 LYS CB C 32.803 0.01 1 492 83 83 LYS N N 114.232 0.01 1 493 84 84 LEU H H 7.422 0.001 1 494 84 84 LEU HA H 4.179 0.001 1 495 84 84 LEU C C 178.322 0.01 1 496 84 84 LEU CA C 56.631 0.01 1 497 84 84 LEU CB C 42.933 0.01 1 498 84 84 LEU N N 115.899 0.01 1 499 85 85 LYS H H 8.407 0.001 1 500 85 85 LYS CA C 62.536 0.01 1 501 85 85 LYS CB C 29.963 0.01 1 502 85 85 LYS N N 120.723 0.01 1 503 86 86 PRO HA H 4.461 0.001 1 504 86 86 PRO C C 180.075 0.01 1 505 86 86 PRO CA C 65.844 0.01 1 506 86 86 PRO CB C 30.807 0.01 1 507 87 87 VAL H H 6.903 0.001 1 508 87 87 VAL HA H 3.790 0.001 1 509 87 87 VAL C C 178.477 0.01 1 510 87 87 VAL CA C 65.433 0.01 1 511 87 87 VAL CB C 31.496 0.01 1 512 87 87 VAL N N 116.002 0.01 1 513 88 88 TYR H H 8.454 0.001 1 514 88 88 TYR HA H 3.937 0.001 1 515 88 88 TYR C C 177.346 0.01 1 516 88 88 TYR CA C 63.012 0.01 1 517 88 88 TYR CB C 39.695 0.01 1 518 88 88 TYR N N 123.146 0.01 1 519 89 89 ASP H H 9.057 0.001 1 520 89 89 ASP HA H 4.308 0.001 1 521 89 89 ASP C C 178.136 0.01 1 522 89 89 ASP CA C 56.625 0.01 1 523 89 89 ASP CB C 40.586 0.01 1 524 89 89 ASP N N 117.059 0.01 1 525 90 90 SER H H 7.385 0.001 1 526 90 90 SER HA H 4.435 0.001 1 527 90 90 SER C C 174.464 0.01 1 528 90 90 SER CA C 59.549 0.01 1 529 90 90 SER CB C 64.598 0.01 1 530 90 90 SER N N 113.398 0.01 1 531 91 91 LEU H H 7.477 0.001 1 532 91 91 LEU HA H 4.413 0.001 1 533 91 91 LEU C C 176.375 0.01 1 534 91 91 LEU CA C 55.070 0.01 1 535 91 91 LEU CB C 42.810 0.01 1 536 91 91 LEU N N 123.580 0.01 1 537 92 92 ASP H H 7.440 0.001 1 538 92 92 ASP HA H 4.566 0.001 1 539 92 92 ASP C C 175.360 0.01 1 540 92 92 ASP CA C 52.587 0.01 1 541 92 92 ASP CB C 42.840 0.01 1 542 92 92 ASP N N 116.218 0.01 1 543 93 93 ALA H H 8.682 0.001 1 544 93 93 ALA HA H 3.740 0.001 1 545 93 93 ALA C C 179.894 0.01 1 546 93 93 ALA CA C 56.229 0.01 1 547 93 93 ALA CB C 19.309 0.01 1 548 93 93 ALA N N 119.801 0.01 1 549 94 94 VAL H H 7.580 0.001 1 550 94 94 VAL HA H 3.028 0.001 1 551 94 94 VAL C C 177.116 0.01 1 552 94 94 VAL CA C 65.718 0.01 1 553 94 94 VAL CB C 30.940 0.01 1 554 94 94 VAL N N 118.735 0.01 1 555 95 95 ARG H H 7.729 0.001 1 556 95 95 ARG HA H 3.280 0.001 1 557 95 95 ARG C C 178.366 0.01 1 558 95 95 ARG CA C 60.414 0.01 1 559 95 95 ARG CB C 30.423 0.01 1 560 95 95 ARG N N 119.108 0.01 1 561 96 96 ARG H H 8.638 0.001 1 562 96 96 ARG HA H 3.654 0.001 1 563 96 96 ARG C C 177.841 0.01 1 564 96 96 ARG CA C 60.658 0.01 1 565 96 96 ARG CB C 30.511 0.01 1 566 96 96 ARG N N 118.307 0.01 1 567 97 97 ALA H H 7.019 0.001 1 568 97 97 ALA HA H 3.987 0.001 1 569 97 97 ALA C C 178.768 0.01 1 570 97 97 ALA CA C 55.234 0.01 1 571 97 97 ALA CB C 18.254 0.01 1 572 97 97 ALA N N 120.196 0.01 1 573 98 98 ALA H H 7.097 0.001 1 574 98 98 ALA HA H 3.572 0.001 1 575 98 98 ALA C C 177.328 0.01 1 576 98 98 ALA CA C 55.437 0.01 1 577 98 98 ALA CB C 15.893 0.01 1 578 98 98 ALA N N 119.143 0.01 1 579 99 99 ALA H H 7.665 0.001 1 580 99 99 ALA HA H 3.596 0.001 1 581 99 99 ALA C C 178.026 0.01 1 582 99 99 ALA CA C 55.384 0.01 1 583 99 99 ALA CB C 18.417 0.01 1 584 99 99 ALA N N 119.971 0.01 1 585 100 100 ILE H H 8.110 0.001 1 586 100 100 ILE HA H 3.332 0.001 1 587 100 100 ILE C C 177.103 0.01 1 588 100 100 ILE CA C 64.658 0.01 1 589 100 100 ILE CB C 37.011 0.01 1 590 100 100 ILE N N 116.372 0.01 1 591 101 101 ASN H H 8.098 0.001 1 592 101 101 ASN HA H 3.887 0.001 1 593 101 101 ASN C C 177.350 0.01 1 594 101 101 ASN CA C 57.096 0.01 1 595 101 101 ASN CB C 38.922 0.01 1 596 101 101 ASN N N 116.550 0.01 1 597 102 102 MET H H 7.647 0.001 1 598 102 102 MET HA H 3.746 0.001 1 599 102 102 MET C C 177.507 0.01 1 600 102 102 MET CA C 60.473 0.01 1 601 102 102 MET CB C 33.218 0.01 1 602 102 102 MET N N 114.177 0.01 1 603 103 103 VAL H H 7.332 0.001 1 604 103 103 VAL HA H 4.198 0.001 1 605 103 103 VAL C C 175.893 0.01 1 606 103 103 VAL CA C 60.939 0.01 1 607 103 103 VAL CB C 31.098 0.01 1 608 103 103 VAL N N 107.836 0.01 1 609 104 104 PHE H H 7.978 0.001 1 610 104 104 PHE HA H 4.107 0.001 1 611 104 104 PHE C C 176.884 0.01 1 612 104 104 PHE CA C 60.915 0.01 1 613 104 104 PHE CB C 39.768 0.01 1 614 104 104 PHE N N 125.985 0.01 1 615 105 105 GLN H H 8.448 0.001 1 616 105 105 GLN HA H 3.510 0.001 1 617 105 105 GLN C C 174.976 0.01 1 618 105 105 GLN CA C 57.730 0.01 1 619 105 105 GLN CB C 27.304 0.01 1 620 105 105 GLN N N 120.302 0.01 1 621 106 106 MET H H 8.987 0.001 1 622 106 106 MET HA H 4.184 0.001 1 623 106 106 MET C C 176.961 0.01 1 624 106 106 MET CA C 54.873 0.01 1 625 106 106 MET CB C 30.057 0.01 1 626 106 106 MET N N 117.189 0.01 1 627 107 107 GLY H H 7.777 0.001 1 628 107 107 GLY HA3 H 3.978 0.001 1 629 107 107 GLY C C 174.999 0.01 1 630 107 107 GLY CA C 46.219 0.01 1 631 107 107 GLY N N 107.787 0.01 1 632 108 108 GLU H H 8.779 0.001 1 633 108 108 GLU HA H 3.984 0.001 1 634 108 108 GLU C C 179.574 0.01 1 635 108 108 GLU CA C 59.944 0.01 1 636 108 108 GLU CB C 29.939 0.01 1 637 108 108 GLU N N 123.604 0.01 1 638 109 109 THR H H 8.576 0.001 1 639 109 109 THR HA H 4.176 0.001 1 640 109 109 THR C C 178.459 0.01 1 641 109 109 THR CA C 65.535 0.01 1 642 109 109 THR CB C 67.945 0.01 1 643 109 109 THR N N 111.822 0.01 1 644 110 110 GLY H H 8.521 0.001 1 645 110 110 GLY HA2 H 3.105 0.001 2 646 110 110 GLY HA3 H 3.801 0.001 2 647 110 110 GLY C C 175.653 0.01 1 648 110 110 GLY CA C 47.217 0.01 1 649 110 110 GLY N N 115.113 0.01 1 650 111 111 VAL H H 8.048 0.001 1 651 111 111 VAL HA H 3.521 0.001 1 652 111 111 VAL C C 179.689 0.01 1 653 111 111 VAL CA C 67.054 0.01 1 654 111 111 VAL CB C 31.832 0.01 1 655 111 111 VAL N N 120.852 0.01 1 656 112 112 ALA H H 8.255 0.001 1 657 112 112 ALA HA H 4.142 0.001 1 658 112 112 ALA C C 179.412 0.01 1 659 112 112 ALA CA C 55.423 0.01 1 660 112 112 ALA CB C 18.258 0.01 1 661 112 112 ALA N N 124.525 0.01 1 662 113 113 ALA H H 7.861 0.001 1 663 113 113 ALA HA H 4.182 0.001 1 664 113 113 ALA C C 179.965 0.01 1 665 113 113 ALA CA C 54.970 0.01 1 666 113 113 ALA CB C 18.063 0.01 1 667 113 113 ALA N N 120.490 0.01 1 668 114 114 PHE H H 8.126 0.001 1 669 114 114 PHE HA H 4.057 0.001 1 670 114 114 PHE C C 177.765 0.01 1 671 114 114 PHE CA C 59.933 0.01 1 672 114 114 PHE CB C 39.124 0.01 1 673 114 114 PHE N N 120.157 0.01 1 674 115 115 THR H H 8.504 0.001 1 675 115 115 THR HA H 3.470 0.001 1 676 115 115 THR C C 176.924 0.01 1 677 115 115 THR CA C 67.000 0.01 1 678 115 115 THR CB C 68.320 0.01 1 679 115 115 THR N N 114.478 0.01 1 680 116 116 ASN H H 8.337 0.001 1 681 116 116 ASN HA H 4.500 0.001 1 682 116 116 ASN C C 176.009 0.01 1 683 116 116 ASN CA C 57.243 0.01 1 684 116 116 ASN CB C 38.600 0.01 1 685 116 116 ASN N N 119.632 0.01 1 686 117 117 SER H H 7.424 0.001 1 687 117 117 SER HA H 4.590 0.001 1 688 117 117 SER C C 174.808 0.01 1 689 117 117 SER CA C 59.470 0.01 1 690 117 117 SER CB C 64.474 0.01 1 691 117 117 SER N N 112.765 0.01 1 692 118 118 LEU H H 7.195 0.001 1 693 118 118 LEU CB C 39.650 0.01 1 694 118 118 LEU N N 122.210 0.01 1 695 119 119 PRO HA H 4.282 0.001 1 696 119 119 PRO C C 179.207 0.01 1 697 119 119 PRO CA C 66.239 0.01 1 698 119 119 PRO CB C 30.970 0.01 1 699 120 120 MET H H 7.126 0.001 1 700 120 120 MET HA H 4.005 0.001 1 701 120 120 MET C C 178.137 0.01 1 702 120 120 MET CA C 58.747 0.01 1 703 120 120 MET CB C 32.510 0.01 1 704 120 120 MET N N 112.465 0.01 1 705 121 121 LEU H H 7.695 0.001 1 706 121 121 LEU HA H 3.841 0.001 1 707 121 121 LEU C C 180.140 0.01 1 708 121 121 LEU CA C 57.379 0.01 1 709 121 121 LEU CB C 42.137 0.01 1 710 121 121 LEU N N 118.534 0.01 1 711 122 122 GLN H H 8.845 0.001 1 712 122 122 GLN HA H 3.862 0.001 1 713 122 122 GLN C C 176.722 0.01 1 714 122 122 GLN CA C 58.840 0.01 1 715 122 122 GLN CB C 28.791 0.01 1 716 122 122 GLN N N 119.537 0.01 1 717 123 123 GLN H H 6.862 0.001 1 718 123 123 GLN HA H 4.154 0.001 1 719 123 123 GLN C C 174.075 0.01 1 720 123 123 GLN CA C 55.009 0.01 1 721 123 123 GLN CB C 29.733 0.01 1 722 123 123 GLN N N 113.333 0.01 1 723 124 124 LYS H H 7.238 0.001 1 724 124 124 LYS HA H 4.455 0.001 1 725 124 124 LYS C C 174.727 0.01 1 726 124 124 LYS CA C 56.449 0.01 1 727 124 124 LYS CB C 28.383 0.01 1 728 124 124 LYS N N 114.431 0.01 1 729 125 125 ARG H H 7.651 0.001 1 730 125 125 ARG HA H 4.260 0.001 1 731 125 125 ARG C C 177.251 0.01 1 732 125 125 ARG CA C 53.573 0.01 1 733 125 125 ARG CB C 28.211 0.01 1 734 125 125 ARG N N 119.411 0.01 1 735 126 126 TRP H H 6.865 0.001 1 736 126 126 TRP HA H 4.322 0.001 1 737 126 126 TRP C C 178.830 0.01 1 738 126 126 TRP CA C 58.824 0.01 1 739 126 126 TRP CB C 31.461 0.01 1 740 126 126 TRP N N 119.823 0.01 1 741 127 127 ASP H H 8.598 0.001 1 742 127 127 ASP HA H 4.400 0.001 1 743 127 127 ASP C C 178.748 0.01 1 744 127 127 ASP CA C 57.685 0.01 1 745 127 127 ASP CB C 40.047 0.01 1 746 127 127 ASP N N 116.894 0.01 1 747 128 128 GLU H H 8.191 0.001 1 748 128 128 GLU HA H 3.974 0.001 1 749 128 128 GLU C C 180.057 0.01 1 750 128 128 GLU CA C 59.526 0.01 1 751 128 128 GLU CB C 29.871 0.01 1 752 128 128 GLU N N 120.788 0.01 1 753 129 129 ALA H H 8.587 0.001 1 754 129 129 ALA HA H 3.970 0.001 1 755 129 129 ALA C C 178.495 0.01 1 756 129 129 ALA CA C 55.043 0.01 1 757 129 129 ALA CB C 17.771 0.01 1 758 129 129 ALA N N 122.103 0.01 1 759 130 130 ALA H H 8.235 0.001 1 760 130 130 ALA HA H 4.043 0.001 1 761 130 130 ALA C C 179.804 0.01 1 762 130 130 ALA CA C 55.818 0.01 1 763 130 130 ALA CB C 18.896 0.01 1 764 130 130 ALA N N 119.336 0.01 1 765 131 131 VAL H H 7.697 0.001 1 766 131 131 VAL HA H 3.579 0.001 1 767 131 131 VAL C C 178.078 0.01 1 768 131 131 VAL CA C 66.319 0.01 1 769 131 131 VAL CB C 32.135 0.01 1 770 131 131 VAL N N 118.685 0.01 1 771 132 132 ASN H H 7.569 0.001 1 772 132 132 ASN HA H 4.261 0.001 1 773 132 132 ASN C C 178.965 0.01 1 774 132 132 ASN CA C 57.172 0.01 1 775 132 132 ASN CB C 39.798 0.01 1 776 132 132 ASN N N 118.648 0.01 1 777 133 133 LEU H H 8.903 0.001 1 778 133 133 LEU HA H 4.226 0.001 1 779 133 133 LEU C C 179.956 0.01 1 780 133 133 LEU CA C 58.077 0.01 1 781 133 133 LEU CB C 44.013 0.01 1 782 133 133 LEU N N 120.750 0.01 1 783 134 134 ALA H H 7.681 0.001 1 784 134 134 ALA HA H 3.652 0.001 1 785 134 134 ALA C C 176.582 0.01 1 786 134 134 ALA CA C 53.195 0.01 1 787 134 134 ALA CB C 17.536 0.01 1 788 134 134 ALA N N 121.339 0.01 1 789 135 135 LYS H H 7.168 0.001 1 790 135 135 LYS HA H 4.370 0.001 1 791 135 135 LYS C C 176.573 0.01 1 792 135 135 LYS CA C 55.564 0.01 1 793 135 135 LYS CB C 32.696 0.01 1 794 135 135 LYS N N 116.197 0.01 1 795 136 136 SER H H 7.546 0.001 1 796 136 136 SER HA H 4.503 0.001 1 797 136 136 SER C C 174.968 0.01 1 798 136 136 SER CA C 58.565 0.01 1 799 136 136 SER CB C 66.690 0.01 1 800 136 136 SER N N 115.115 0.01 1 801 137 137 ARG H H 8.786 0.001 1 802 137 137 ARG HA H 4.197 0.001 1 803 137 137 ARG C C 178.570 0.01 1 804 137 137 ARG CA C 59.338 0.01 1 805 137 137 ARG CB C 29.792 0.01 1 806 137 137 ARG N N 122.827 0.01 1 807 138 138 TRP H H 8.256 0.001 1 808 138 138 TRP HA H 4.078 0.001 1 809 138 138 TRP C C 176.101 0.01 1 810 138 138 TRP CA C 61.807 0.01 1 811 138 138 TRP CB C 28.775 0.01 1 812 138 138 TRP N N 119.297 0.01 1 813 139 139 TYR H H 7.786 0.001 1 814 139 139 TYR HA H 3.116 0.001 1 815 139 139 TYR C C 175.615 0.01 1 816 139 139 TYR CA C 60.801 0.01 1 817 139 139 TYR CB C 38.816 0.01 1 818 139 139 TYR N N 117.950 0.01 1 819 140 140 ASN H H 7.115 0.001 1 820 140 140 ASN HA H 4.251 0.001 1 821 140 140 ASN C C 176.804 0.01 1 822 140 140 ASN CA C 55.359 0.01 1 823 140 140 ASN CB C 39.590 0.01 1 824 140 140 ASN N N 111.511 0.01 1 825 141 141 GLN H H 7.855 0.001 1 826 141 141 GLN HA H 4.113 0.001 1 827 141 141 GLN CA C 57.729 0.01 1 828 141 141 GLN CB C 29.647 0.01 1 829 141 141 GLN N N 117.466 0.01 1 830 142 142 THR H H 6.964 0.001 1 831 142 142 THR CA C 56.326 0.01 1 832 142 142 THR CB C 69.490 0.01 1 833 142 142 THR N N 110.630 0.01 1 834 143 143 PRO HA H 3.661 0.001 1 835 143 143 PRO C C 178.494 0.01 1 836 143 143 PRO CA C 65.612 0.01 1 837 143 143 PRO CB C 31.872 0.01 1 838 144 144 ASN H H 7.971 0.001 1 839 144 144 ASN HA H 4.315 0.001 1 840 144 144 ASN C C 177.341 0.01 1 841 144 144 ASN CA C 56.668 0.01 1 842 144 144 ASN CB C 37.666 0.01 1 843 144 144 ASN N N 116.334 0.01 1 844 145 145 ARG H H 7.750 0.001 1 845 145 145 ARG HA H 3.930 0.001 1 846 145 145 ARG C C 177.087 0.01 1 847 145 145 ARG CA C 58.135 0.01 1 848 145 145 ARG CB C 31.455 0.01 1 849 145 145 ARG N N 121.642 0.01 1 850 146 146 ALA H H 8.429 0.001 1 851 146 146 ALA HA H 3.858 0.001 1 852 146 146 ALA C C 179.664 0.01 1 853 146 146 ALA CA C 55.541 0.01 1 854 146 146 ALA CB C 20.015 0.01 1 855 146 146 ALA N N 119.316 0.01 1 856 147 147 LYS H H 8.253 0.001 1 857 147 147 LYS HA H 4.041 0.001 1 858 147 147 LYS C C 179.974 0.01 1 859 147 147 LYS CA C 60.729 0.01 1 860 147 147 LYS CB C 32.788 0.01 1 861 147 147 LYS N N 116.714 0.01 1 862 148 148 ARG H H 7.279 0.001 1 863 148 148 ARG HA H 3.833 0.001 1 864 148 148 ARG C C 180.146 0.01 1 865 148 148 ARG CA C 60.793 0.01 1 866 148 148 ARG CB C 30.238 0.01 1 867 148 148 ARG N N 119.234 0.01 1 868 149 149 VAL H H 8.816 0.001 1 869 149 149 VAL HA H 3.457 0.001 1 870 149 149 VAL C C 178.460 0.01 1 871 149 149 VAL CA C 68.168 0.01 1 872 149 149 VAL CB C 32.455 0.01 1 873 149 149 VAL N N 125.307 0.01 1 874 150 150 ILE H H 9.547 0.001 1 875 150 150 ILE HA H 3.886 0.001 1 876 150 150 ILE C C 178.378 0.01 1 877 150 150 ILE CA C 67.368 0.01 1 878 150 150 ILE CB C 37.699 0.01 1 879 150 150 ILE N N 121.097 0.01 1 880 151 151 THR H H 8.444 0.001 1 881 151 151 THR HA H 3.933 0.001 1 882 151 151 THR C C 176.283 0.01 1 883 151 151 THR CA C 67.403 0.01 1 884 151 151 THR CB C 68.172 0.01 1 885 151 151 THR N N 117.959 0.01 1 886 152 152 THR H H 7.964 0.001 1 887 152 152 THR HA H 3.944 0.001 1 888 152 152 THR C C 176.671 0.01 1 889 152 152 THR CA C 67.498 0.01 1 890 152 152 THR N N 122.010 0.01 1 891 153 153 PHE H H 8.375 0.001 1 892 153 153 PHE HA H 3.953 0.001 1 893 153 153 PHE C C 178.321 0.01 1 894 153 153 PHE CA C 62.709 0.01 1 895 153 153 PHE CB C 39.340 0.01 1 896 153 153 PHE N N 120.387 0.01 1 897 154 154 ARG H H 8.795 0.001 1 898 154 154 ARG HA H 4.070 0.001 1 899 154 154 ARG C C 178.076 0.01 1 900 154 154 ARG CA C 60.362 0.01 1 901 154 154 ARG CB C 31.546 0.01 1 902 154 154 ARG N N 118.015 0.01 1 903 155 155 THR H H 8.169 0.001 1 904 155 155 THR HA H 4.252 0.001 1 905 155 155 THR C C 176.765 0.01 1 906 155 155 THR CA C 62.470 0.01 1 907 155 155 THR CB C 71.330 0.01 1 908 155 155 THR N N 104.622 0.01 1 909 156 156 GLY H H 8.491 0.001 1 910 156 156 GLY HA2 H 3.648 0.001 2 911 156 156 GLY HA3 H 3.061 0.001 2 912 156 156 GLY C C 172.933 0.01 1 913 156 156 GLY CA C 46.167 0.01 1 914 156 156 GLY N N 111.689 0.01 1 915 157 157 THR H H 7.603 0.001 1 916 157 157 THR HA H 4.637 0.001 1 917 157 157 THR C C 174.086 0.01 1 918 157 157 THR CA C 58.748 0.01 1 919 157 157 THR CB C 72.418 0.01 1 920 157 157 THR N N 108.301 0.01 1 921 158 158 TRP H H 8.602 0.001 1 922 158 158 TRP HA H 5.064 0.001 1 923 158 158 TRP C C 177.922 0.01 1 924 158 158 TRP CA C 56.346 0.01 1 925 158 158 TRP CB C 29.779 0.01 1 926 158 158 TRP N N 118.038 0.01 1 927 159 159 ASP H H 7.909 0.001 1 928 159 159 ASP HA H 4.193 0.001 1 929 159 159 ASP C C 177.407 0.01 1 930 159 159 ASP CA C 58.779 0.01 1 931 159 159 ASP CB C 40.674 0.01 1 932 159 159 ASP N N 119.620 0.01 1 933 160 160 ALA H H 9.187 0.001 1 934 160 160 ALA HA H 4.201 0.001 1 935 160 160 ALA C C 177.362 0.01 1 936 160 160 ALA CA C 53.729 0.01 1 937 160 160 ALA CB C 18.618 0.01 1 938 160 160 ALA N N 119.985 0.01 1 939 161 161 TYR H H 8.061 0.001 1 940 161 161 TYR HA H 4.247 0.001 1 941 161 161 TYR C C 175.125 0.01 1 942 161 161 TYR CA C 58.909 0.01 1 943 161 161 TYR CB C 39.856 0.01 1 944 161 161 TYR N N 113.735 0.01 1 945 162 162 LYS H H 7.262 0.001 1 946 162 162 LYS HA H 4.149 0.001 1 947 162 162 LYS C C 176.030 0.01 1 948 162 162 LYS CA C 57.458 0.01 1 949 162 162 LYS CB C 29.128 0.01 1 950 162 162 LYS N N 119.491 0.01 1 951 163 163 ASN H H 8.457 0.001 1 952 163 163 ASN HA H 4.590 0.001 1 953 163 163 ASN C C 173.691 0.01 1 954 163 163 ASN CA C 53.884 0.01 1 955 163 163 ASN CB C 38.142 0.01 1 956 163 163 ASN N N 117.131 0.01 1 957 164 164 LEU H H 7.401 0.001 1 958 164 164 LEU CA C 56.418 0.01 1 959 164 164 LEU CB C 43.449 0.01 1 960 164 164 LEU N N 125.990 0.01 1 stop_ save_