data_15653 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N NMR Assignments of the Tail Domain of Vinculin ; _BMRB_accession_number 15653 _BMRB_flat_file_name bmr15653.str _Entry_type original _Submission_date 2008-02-04 _Accession_date 2008-02-04 _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 Palmer Sean M. . 2 Campbell Sharon L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 155 "13C chemical shifts" 486 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-05-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 13C, and 15N NMR assignments of the tail domain of vinculin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636928 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Palmer Sean M. . 2 Campbell Sharon L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 71 _Year 2008 _Details . loop_ _Keyword NMR Vinculin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vinculin Tail' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Vinculin Tail' $Vinculin_Tail stop_ _System_molecular_weight 21587 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'actin binding' 'cytoskeltal protein' stop_ _Database_query_date . _Details 'The tail domain of vinculin, comprising residues 879-1066.' save_ ######################## # Monomeric polymers # ######################## save_Vinculin_Tail _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vinculin_Tail _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'cytoskeletal protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; GSHMEEKDEEFPEQKAGEAI NQPMMMAARQLHDEARKWSS KGNDIIAAAKRMALLMAEMS RLVRGGSGNKRALIQCAKDI AKASDEVTRLAKEVAKQCTD KRIRTNLLQVCERIPTISTQ LKILSTVKATMLGRTNISDE ESEQATEMLVHNAQNLMQSV KETVREAEAASIKIRTDAGF TLRWVRKTPWYQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLU 6 GLU 7 LYS 8 ASP 9 GLU 10 GLU 11 PHE 12 PRO 13 GLU 14 GLN 15 LYS 16 ALA 17 GLY 18 GLU 19 ALA 20 ILE 21 ASN 22 GLN 23 PRO 24 MET 25 MET 26 MET 27 ALA 28 ALA 29 ARG 30 GLN 31 LEU 32 HIS 33 ASP 34 GLU 35 ALA 36 ARG 37 LYS 38 TRP 39 SER 40 SER 41 LYS 42 GLY 43 ASN 44 ASP 45 ILE 46 ILE 47 ALA 48 ALA 49 ALA 50 LYS 51 ARG 52 MET 53 ALA 54 LEU 55 LEU 56 MET 57 ALA 58 GLU 59 MET 60 SER 61 ARG 62 LEU 63 VAL 64 ARG 65 GLY 66 GLY 67 SER 68 GLY 69 ASN 70 LYS 71 ARG 72 ALA 73 LEU 74 ILE 75 GLN 76 CYS 77 ALA 78 LYS 79 ASP 80 ILE 81 ALA 82 LYS 83 ALA 84 SER 85 ASP 86 GLU 87 VAL 88 THR 89 ARG 90 LEU 91 ALA 92 LYS 93 GLU 94 VAL 95 ALA 96 LYS 97 GLN 98 CYS 99 THR 100 ASP 101 LYS 102 ARG 103 ILE 104 ARG 105 THR 106 ASN 107 LEU 108 LEU 109 GLN 110 VAL 111 CYS 112 GLU 113 ARG 114 ILE 115 PRO 116 THR 117 ILE 118 SER 119 THR 120 GLN 121 LEU 122 LYS 123 ILE 124 LEU 125 SER 126 THR 127 VAL 128 LYS 129 ALA 130 THR 131 MET 132 LEU 133 GLY 134 ARG 135 THR 136 ASN 137 ILE 138 SER 139 ASP 140 GLU 141 GLU 142 SER 143 GLU 144 GLN 145 ALA 146 THR 147 GLU 148 MET 149 LEU 150 VAL 151 HIS 152 ASN 153 ALA 154 GLN 155 ASN 156 LEU 157 MET 158 GLN 159 SER 160 VAL 161 LYS 162 GLU 163 THR 164 VAL 165 ARG 166 GLU 167 ALA 168 GLU 169 ALA 170 ALA 171 SER 172 ILE 173 LYS 174 ILE 175 ARG 176 THR 177 ASP 178 ALA 179 GLY 180 PHE 181 THR 182 LEU 183 ARG 184 TRP 185 VAL 186 ARG 187 LYS 188 THR 189 PRO 190 TRP 191 TYR 192 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1RKE "Human Vinculin Head (1-258) In Complex With Human Vinculin Tail (879-1066)" 96.35 185 98.92 98.92 5.16e-130 PDB 1ST6 "Crystal Structure Of A Cytoskeletal Protein" 97.92 1069 100.00 100.00 6.61e-124 PDB 3H2U "Human Raver1 Rrm1, Rrm2, And Rrm3 Domains In Complex With Human Vinculin Tail Domain Vt" 97.92 188 98.94 98.94 3.79e-132 PDB 3H2V "Human Raver1 Rrm1 Domain In Complex With Human Vinculin Tail Domain Vt" 97.92 188 98.94 98.94 3.79e-132 PDB 4PR9 "Human Vinculin (residues 891-1066) In Complex With Pip" 91.67 176 98.30 98.30 2.29e-121 DBJ BAC28973 "unnamed protein product [Mus musculus]" 97.92 439 98.94 98.94 2.05e-129 DBJ BAC37033 "unnamed protein product [Mus musculus]" 97.92 1066 98.40 98.40 7.32e-122 DBJ BAG11028 "vinculin [synthetic construct]" 97.92 1066 98.94 98.94 2.12e-122 DBJ BAG54414 "unnamed protein product [Homo sapiens]" 79.69 1006 98.69 98.69 2.62e-93 DBJ BAG59141 "unnamed protein product [Homo sapiens]" 97.92 491 98.94 98.94 5.32e-129 GB AAA49136 "vinculin [Gallus gallus]" 97.92 1066 100.00 100.00 7.25e-124 GB AAA61283 "vinculin [Homo sapiens]" 97.92 1066 98.94 98.94 2.12e-122 GB AAB21657 "vinculin, partial [Homo sapiens]" 54.69 130 98.10 98.10 2.27e-66 GB AAB96843 "vinculin [Mus musculus]" 97.92 1066 98.94 98.94 2.07e-122 GB AAH08520 "Vinculin [Mus musculus]" 97.92 1066 98.94 98.94 2.10e-122 PRF 1805212A vinculin 97.92 293 98.94 98.94 1.27e-131 REF NP_001100718 "vinculin [Rattus norvegicus]" 97.92 1066 98.94 98.94 2.26e-122 REF NP_003364 "vinculin isoform VCL [Homo sapiens]" 97.92 1066 98.94 98.94 2.12e-122 REF NP_033528 "vinculin [Mus musculus]" 97.92 1066 98.94 98.94 2.10e-122 REF NP_990772 "vinculin [Gallus gallus]" 97.92 1066 100.00 100.00 7.25e-124 REF NP_999099 "vinculin [Sus scrofa]" 97.92 1067 98.94 98.94 1.92e-122 SP P85972 "RecName: Full=Vinculin; AltName: Full=Metavinculin" 97.92 1066 98.94 98.94 2.26e-122 SP Q64727 "RecName: Full=Vinculin; AltName: Full=Metavinculin" 97.92 1066 98.94 98.94 2.10e-122 TPG DAA14174 "TPA: vinculin isoform 2 [Bos taurus]" 97.92 1066 98.94 98.94 2.10e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Vinculin_Tail chicken 9031 Eukaryota Metazoa Gallus gallus vinculin 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 $Vinculin_Tail 'recombinant technology' . Escherichia coli 'BL21 DE3' 'pET 15b' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Vinculin tail was uniformly 13C, 15N, and 2H labeled. Exchangeable protons were back exchanged to 1H by denaturation in H2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vinculin_Tail 0.3 mM '[U-13C; U-15N; U-2H]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 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 $Vinculin_Tail 0.3 mM '[U-13C; U-15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N isotopic labeling for Leu only. All other amino acids at natural abundance.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vinculin_Tail 0.3 mM [U-15N]-Leu 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '15N isotopic labeling for Met only. All other amino acids at natural abundance.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vinculin_Tail 0.3 mM [U-15N]-Met 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'Uniform 15N isotopic labeling except Lys at natural abundance.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vinculin_Tail 0.3 mM '[U-15N; NA-Lys]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2.01 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe_NMRDraw _Saveframe_category software _Name NMRPipe/NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 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 . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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_3D_HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HN(CA)CB' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Vinculin Tail' _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 6 6 GLU CA C 56.445 0.2 1 2 6 6 GLU CB C 30.248 0.2 1 3 7 7 LYS H H 8.243 0.02 1 4 7 7 LYS C C 176.365 0.2 1 5 7 7 LYS CA C 56.535 0.2 1 6 7 7 LYS CB C 33.051 0.2 1 7 7 7 LYS N N 123.381 0.1 1 8 8 8 ASP H H 8.386 0.02 1 9 8 8 ASP C C 175.989 0.2 1 10 8 8 ASP CA C 55.036 0.2 1 11 8 8 ASP CB C 40.793 0.2 1 12 8 8 ASP N N 121.584 0.1 1 13 9 9 GLU H H 8.145 0.02 1 14 9 9 GLU C C 176.523 0.2 1 15 9 9 GLU CA C 57.020 0.2 1 16 9 9 GLU CB C 30.245 0.2 1 17 9 9 GLU N N 120.177 0.1 1 18 10 10 GLU H H 8.128 0.02 1 19 10 10 GLU C C 175.108 0.2 1 20 10 10 GLU CA C 55.735 0.2 1 21 10 10 GLU CB C 30.389 0.2 1 22 10 10 GLU N N 121.522 0.1 1 23 11 11 PHE H H 8.574 0.02 1 24 11 11 PHE C C 174.315 0.2 1 25 11 11 PHE CA C 56.178 0.2 1 26 11 11 PHE CB C 39.837 0.2 1 27 11 11 PHE N N 126.961 0.1 1 28 12 12 PRO C C 175.423 0.2 1 29 12 12 PRO CA C 62.551 0.2 1 30 12 12 PRO CB C 30.260 0.2 1 31 13 13 GLU H H 7.967 0.02 1 32 13 13 GLU C C 176.236 0.2 1 33 13 13 GLU CA C 56.077 0.2 1 34 13 13 GLU CB C 30.531 0.2 1 35 13 13 GLU N N 124.276 0.1 1 36 14 14 GLN H H 8.588 0.02 1 37 14 14 GLN C C 175.669 0.2 1 38 14 14 GLN CA C 56.258 0.2 1 39 14 14 GLN CB C 29.057 0.2 1 40 14 14 GLN N N 123.236 0.1 1 41 15 15 LYS H H 8.849 0.02 1 42 15 15 LYS C C 176.804 0.2 1 43 15 15 LYS CA C 55.257 0.2 1 44 15 15 LYS CB C 33.452 0.2 1 45 15 15 LYS N N 127.286 0.1 1 46 16 16 ALA H H 8.413 0.02 1 47 16 16 ALA C C 179.053 0.2 1 48 16 16 ALA CA C 53.870 0.2 1 49 16 16 ALA CB C 17.872 0.2 1 50 16 16 ALA N N 126.210 0.1 1 51 17 17 GLY H H 8.593 0.02 1 52 17 17 GLY C C 174.391 0.2 1 53 17 17 GLY CA C 45.708 0.2 1 54 17 17 GLY N N 111.206 0.1 1 55 18 18 GLU H H 7.595 0.02 1 56 18 18 GLU C C 175.732 0.2 1 57 18 18 GLU CA C 56.556 0.2 1 58 18 18 GLU CB C 31.070 0.2 1 59 18 18 GLU N N 121.345 0.1 1 60 19 19 ALA H H 8.494 0.02 1 61 19 19 ALA C C 175.808 0.2 1 62 19 19 ALA CA C 52.266 0.2 1 63 19 19 ALA CB C 18.386 0.2 1 64 19 19 ALA N N 129.320 0.1 1 65 20 20 ILE H H 7.813 0.02 1 66 20 20 ILE C C 175.489 0.2 1 67 20 20 ILE CA C 59.429 0.2 1 68 20 20 ILE CB C 42.448 0.2 1 69 20 20 ILE N N 117.908 0.1 1 70 21 21 ASN H H 8.343 0.02 1 71 21 21 ASN C C 173.882 0.2 1 72 21 21 ASN CA C 54.436 0.2 1 73 21 21 ASN CB C 39.843 0.2 1 74 21 21 ASN N N 123.336 0.1 1 75 22 22 GLN H H 9.138 0.02 1 76 22 22 GLN CA C 60.708 0.2 1 77 22 22 GLN CB C 25.752 0.2 1 78 22 22 GLN N N 129.547 0.1 1 79 25 25 MET C C 178.364 0.2 1 80 25 25 MET CA C 58.372 0.2 1 81 25 25 MET CB C 31.614 0.2 1 82 26 26 MET H H 8.784 0.02 1 83 26 26 MET C C 178.719 0.2 1 84 26 26 MET CA C 58.396 0.2 1 85 26 26 MET N N 118.760 0.1 1 86 27 27 ALA H H 7.688 0.02 1 87 27 27 ALA C C 179.530 0.2 1 88 27 27 ALA CA C 54.996 0.2 1 89 27 27 ALA CB C 17.710 0.2 1 90 27 27 ALA N N 122.639 0.1 1 91 28 28 ALA H H 8.030 0.02 1 92 28 28 ALA C C 179.349 0.2 1 93 28 28 ALA CA C 55.520 0.2 1 94 28 28 ALA CB C 17.867 0.2 1 95 28 28 ALA N N 122.156 0.1 1 96 29 29 ARG H H 8.608 0.02 1 97 29 29 ARG C C 177.901 0.2 1 98 29 29 ARG CA C 58.943 0.2 1 99 29 29 ARG N N 120.389 0.1 1 100 40 40 SER C C 175.014 0.2 1 101 40 40 SER CA C 59.369 0.2 1 102 40 40 SER CB C 64.550 0.2 1 103 41 41 LYS H H 8.206 0.02 1 104 41 41 LYS C C 177.023 0.2 1 105 41 41 LYS CA C 57.844 0.2 1 106 41 41 LYS CB C 30.621 0.2 1 107 41 41 LYS N N 125.786 0.1 1 108 42 42 GLY H H 8.780 0.02 1 109 42 42 GLY C C 174.655 0.2 1 110 42 42 GLY CA C 46.408 0.2 1 111 42 42 GLY N N 115.005 0.1 1 112 43 43 ASN H H 7.714 0.02 1 113 43 43 ASN C C 173.944 0.2 1 114 43 43 ASN CA C 52.374 0.2 1 115 43 43 ASN CB C 37.272 0.2 1 116 43 43 ASN N N 118.325 0.1 1 117 45 45 ILE C C 176.524 0.2 1 118 45 45 ILE CA C 66.602 0.2 1 119 45 45 ILE CB C 36.939 0.2 1 120 46 46 ILE H H 7.273 0.02 1 121 46 46 ILE C C 176.412 0.2 1 122 46 46 ILE CA C 61.024 0.2 1 123 46 46 ILE CB C 35.069 0.2 1 124 46 46 ILE N N 121.868 0.1 1 125 47 47 ALA H H 7.912 0.02 1 126 47 47 ALA C C 180.653 0.2 1 127 47 47 ALA CA C 55.999 0.2 1 128 47 47 ALA CB C 18.681 0.2 1 129 47 47 ALA N N 121.343 0.1 1 130 48 48 ALA H H 7.762 0.02 1 131 48 48 ALA C C 179.342 0.2 1 132 48 48 ALA CA C 55.405 0.2 1 133 48 48 ALA CB C 18.297 0.2 1 134 48 48 ALA N N 121.213 0.1 1 135 49 49 ALA C C 179.356 0.2 1 136 49 49 ALA CA C 55.683 0.2 1 137 49 49 ALA CB C 18.056 0.2 1 138 50 50 LYS H H 8.319 0.02 1 139 50 50 LYS C C 178.741 0.2 1 140 50 50 LYS CA C 61.067 0.2 1 141 50 50 LYS CB C 32.924 0.2 1 142 50 50 LYS N N 116.989 0.1 1 143 51 51 ARG H H 7.594 0.02 1 144 51 51 ARG C C 178.803 0.2 1 145 51 51 ARG CA C 59.543 0.2 1 146 51 51 ARG CB C 30.267 0.2 1 147 51 51 ARG N N 119.096 0.1 1 148 52 52 MET H H 8.767 0.02 1 149 52 52 MET C C 177.605 0.2 1 150 52 52 MET CA C 59.920 0.2 1 151 52 52 MET CB C 33.681 0.2 1 152 52 52 MET N N 118.147 0.1 1 153 53 53 ALA H H 8.161 0.02 1 154 53 53 ALA C C 179.202 0.2 1 155 53 53 ALA CA C 55.916 0.2 1 156 53 53 ALA CB C 18.389 0.2 1 157 53 53 ALA N N 121.593 0.1 1 158 54 54 LEU H H 7.687 0.02 1 159 54 54 LEU C C 180.904 0.2 1 160 54 54 LEU CA C 58.514 0.2 1 161 54 54 LEU CB C 40.470 0.2 1 162 54 54 LEU N N 118.811 0.1 1 163 55 55 LEU H H 8.400 0.02 1 164 55 55 LEU C C 179.203 0.2 1 165 55 55 LEU CA C 58.105 0.2 1 166 55 55 LEU CB C 42.629 0.2 1 167 55 55 LEU N N 122.485 0.1 1 168 56 56 MET H H 8.491 0.02 1 169 56 56 MET C C 178.104 0.2 1 170 56 56 MET CA C 56.913 0.2 1 171 56 56 MET CB C 30.546 0.2 1 172 56 56 MET N N 120.726 0.1 1 173 57 57 ALA H H 8.026 0.02 1 174 57 57 ALA C C 180.682 0.2 1 175 57 57 ALA CA C 55.215 0.2 1 176 57 57 ALA CB C 17.924 0.2 1 177 57 57 ALA N N 124.267 0.1 1 178 58 58 GLU H H 7.592 0.02 1 179 58 58 GLU C C 179.610 0.2 1 180 58 58 GLU CA C 59.244 0.2 1 181 58 58 GLU CB C 28.117 0.2 1 182 58 58 GLU N N 121.131 0.1 1 183 59 59 MET H H 8.865 0.02 1 184 59 59 MET C C 177.479 0.2 1 185 59 59 MET CA C 60.700 0.2 1 186 59 59 MET CB C 32.449 0.2 1 187 59 59 MET N N 123.795 0.1 1 188 60 60 SER H H 8.014 0.02 1 189 60 60 SER C C 175.221 0.2 1 190 60 60 SER CA C 62.343 0.2 1 191 60 60 SER CB C 63.030 0.2 1 192 60 60 SER N N 113.871 0.1 1 193 61 61 ARG H H 7.233 0.02 1 194 61 61 ARG C C 179.380 0.2 1 195 61 61 ARG CA C 58.244 0.2 1 196 61 61 ARG CB C 30.919 0.2 1 197 61 61 ARG N N 120.533 0.1 1 198 62 62 LEU H H 8.356 0.02 1 199 62 62 LEU C C 180.310 0.2 1 200 62 62 LEU CA C 57.487 0.2 1 201 62 62 LEU CB C 43.980 0.2 1 202 62 62 LEU N N 121.590 0.1 1 203 63 63 VAL H H 7.919 0.02 1 204 63 63 VAL C C 175.223 0.2 1 205 63 63 VAL CA C 64.156 0.2 1 206 63 63 VAL CB C 31.580 0.2 1 207 63 63 VAL N N 110.299 0.1 1 208 64 64 ARG H H 7.172 0.02 1 209 64 64 ARG C C 176.401 0.2 1 210 64 64 ARG CA C 54.508 0.2 1 211 64 64 ARG CB C 29.282 0.2 1 212 64 64 ARG N N 118.565 0.1 1 213 65 65 GLY H H 7.426 0.02 1 214 65 65 GLY C C 173.064 0.2 1 215 65 65 GLY CA C 44.889 0.2 1 216 65 65 GLY N N 107.408 0.1 1 217 66 66 GLY H H 8.002 0.02 1 218 66 66 GLY C C 175.176 0.2 1 219 66 66 GLY CA C 44.472 0.2 1 220 66 66 GLY N N 106.150 0.1 1 221 67 67 SER H H 8.657 0.02 1 222 67 67 SER C C 176.751 0.2 1 223 67 67 SER CA C 61.224 0.2 1 224 67 67 SER CB C 63.043 0.2 1 225 67 67 SER N N 115.471 0.1 1 226 68 68 GLY H H 8.815 0.02 1 227 68 68 GLY C C 174.998 0.2 1 228 68 68 GLY CA C 46.312 0.2 1 229 68 68 GLY N N 111.012 0.1 1 230 69 69 ASN H H 7.989 0.02 1 231 69 69 ASN C C 174.975 0.2 1 232 69 69 ASN CA C 53.174 0.2 1 233 69 69 ASN CB C 39.193 0.2 1 234 69 69 ASN N N 118.556 0.1 1 235 70 70 LYS H H 7.478 0.02 1 236 70 70 LYS C C 176.861 0.2 1 237 70 70 LYS CA C 61.358 0.2 1 238 70 70 LYS CB C 32.507 0.2 1 239 70 70 LYS N N 121.827 0.1 1 240 71 71 ARG H H 8.185 0.02 1 241 71 71 ARG C C 179.193 0.2 1 242 71 71 ARG CA C 59.525 0.2 1 243 71 71 ARG CB C 29.069 0.2 1 244 71 71 ARG N N 117.731 0.1 1 245 72 72 ALA H H 8.269 0.02 1 246 72 72 ALA C C 180.147 0.2 1 247 72 72 ALA CA C 54.762 0.2 1 248 72 72 ALA CB C 18.632 0.2 1 249 72 72 ALA N N 122.672 0.1 1 250 73 73 LEU H H 8.282 0.02 1 251 73 73 LEU C C 177.588 0.2 1 252 73 73 LEU CA C 58.899 0.2 1 253 73 73 LEU CB C 41.232 0.2 1 254 73 73 LEU N N 121.574 0.1 1 255 74 74 ILE H H 7.380 0.02 1 256 74 74 ILE C C 178.546 0.2 1 257 74 74 ILE CA C 65.442 0.2 1 258 74 74 ILE CB C 37.957 0.2 1 259 74 74 ILE N N 119.178 0.1 1 260 75 75 GLN H H 8.187 0.02 1 261 75 75 GLN C C 176.999 0.2 1 262 75 75 GLN CA C 58.527 0.2 1 263 75 75 GLN CB C 28.194 0.2 1 264 75 75 GLN N N 119.905 0.1 1 265 76 76 CYS H H 8.300 0.02 1 266 76 76 CYS C C 176.765 0.2 1 267 76 76 CYS CA C 63.070 0.2 1 268 76 76 CYS CB C 26.910 0.2 1 269 76 76 CYS N N 120.416 0.1 1 270 77 77 ALA H H 7.672 0.02 1 271 77 77 ALA C C 179.831 0.2 1 272 77 77 ALA CA C 55.710 0.2 1 273 77 77 ALA CB C 18.319 0.2 1 274 77 77 ALA N N 119.884 0.1 1 275 78 78 LYS H H 7.963 0.02 1 276 78 78 LYS C C 179.597 0.2 1 277 78 78 LYS CA C 60.647 0.2 1 278 78 78 LYS CB C 31.862 0.2 1 279 78 78 LYS N N 119.354 0.1 1 280 79 79 ASP H H 8.651 0.02 1 281 79 79 ASP C C 180.311 0.2 1 282 79 79 ASP CA C 58.047 0.2 1 283 79 79 ASP CB C 40.456 0.2 1 284 79 79 ASP N N 123.662 0.1 1 285 80 80 ILE H H 8.836 0.02 1 286 80 80 ILE C C 178.157 0.2 1 287 80 80 ILE CA C 66.654 0.2 1 288 80 80 ILE CB C 37.516 0.2 1 289 80 80 ILE N N 125.481 0.1 1 290 81 81 ALA H H 8.295 0.02 1 291 81 81 ALA C C 179.683 0.2 1 292 81 81 ALA CA C 55.339 0.2 1 293 81 81 ALA CB C 17.421 0.2 1 294 81 81 ALA N N 125.252 0.1 1 295 82 82 LYS H H 8.035 0.02 1 296 82 82 LYS C C 179.424 0.2 1 297 82 82 LYS CA C 59.735 0.2 1 298 82 82 LYS CB C 32.053 0.2 1 299 82 82 LYS N N 120.735 0.1 1 300 83 83 ALA H H 7.674 0.02 1 301 83 83 ALA C C 179.667 0.2 1 302 83 83 ALA CA C 55.249 0.2 1 303 83 83 ALA CB C 17.290 0.2 1 304 83 83 ALA N N 122.879 0.1 1 305 84 84 SER H H 8.643 0.02 1 306 84 84 SER C C 176.510 0.2 1 307 84 84 SER CA C 62.970 0.2 1 308 84 84 SER CB C 62.581 0.2 1 309 84 84 SER N N 116.639 0.1 1 310 85 85 ASP H H 8.114 0.02 1 311 85 85 ASP C C 178.481 0.2 1 312 85 85 ASP CA C 57.651 0.2 1 313 85 85 ASP CB C 40.764 0.2 1 314 85 85 ASP N N 126.135 0.1 1 315 86 86 GLU H H 7.507 0.02 1 316 86 86 GLU C C 178.339 0.2 1 317 86 86 GLU CA C 59.575 0.2 1 318 86 86 GLU CB C 29.201 0.2 1 319 86 86 GLU N N 121.592 0.1 1 320 87 87 VAL H H 7.981 0.02 1 321 87 87 VAL C C 177.129 0.2 1 322 87 87 VAL CA C 67.726 0.2 1 323 87 87 VAL CB C 31.454 0.2 1 324 87 87 VAL N N 118.013 0.1 1 325 88 88 THR H H 8.079 0.02 1 326 88 88 THR C C 175.813 0.2 1 327 88 88 THR CA C 67.894 0.2 1 328 88 88 THR CB C 68.782 0.2 1 329 88 88 THR N N 114.701 0.1 1 330 89 89 ARG H H 8.073 0.02 1 331 89 89 ARG C C 179.711 0.2 1 332 89 89 ARG CA C 60.124 0.2 1 333 89 89 ARG CB C 30.015 0.2 1 334 89 89 ARG N N 121.538 0.1 1 335 90 90 LEU H H 7.927 0.02 1 336 90 90 LEU C C 179.132 0.2 1 337 90 90 LEU CA C 57.732 0.2 1 338 90 90 LEU CB C 42.500 0.2 1 339 90 90 LEU N N 119.342 0.1 1 340 91 91 ALA H H 8.712 0.02 1 341 91 91 ALA C C 179.407 0.2 1 342 91 91 ALA CA C 55.741 0.2 1 343 91 91 ALA CB C 18.847 0.2 1 344 91 91 ALA N N 122.560 0.1 1 345 92 92 LYS H H 8.159 0.02 1 346 92 92 LYS C C 179.297 0.2 1 347 92 92 LYS CA C 60.509 0.2 1 348 92 92 LYS CB C 32.026 0.2 1 349 92 92 LYS N N 118.050 0.1 1 350 93 93 GLU H H 7.346 0.02 1 351 93 93 GLU C C 179.360 0.2 1 352 93 93 GLU CA C 59.139 0.2 1 353 93 93 GLU CB C 28.705 0.2 1 354 93 93 GLU N N 120.175 0.1 1 355 94 94 VAL H H 7.953 0.02 1 356 94 94 VAL C C 178.732 0.2 1 357 94 94 VAL CA C 66.384 0.2 1 358 94 94 VAL CB C 31.243 0.2 1 359 94 94 VAL N N 120.541 0.1 1 360 95 95 ALA H H 8.316 0.02 1 361 95 95 ALA C C 179.307 0.2 1 362 95 95 ALA CA C 55.984 0.2 1 363 95 95 ALA CB C 17.781 0.2 1 364 95 95 ALA N N 121.657 0.1 1 365 96 96 LYS H H 7.581 0.02 1 366 96 96 LYS C C 178.163 0.2 1 367 96 96 LYS CA C 59.240 0.2 1 368 96 96 LYS CB C 32.361 0.2 1 369 96 96 LYS N N 115.132 0.1 1 370 97 97 GLN H H 7.295 0.02 1 371 97 97 GLN C C 174.844 0.2 1 372 97 97 GLN CA C 55.209 0.2 1 373 97 97 GLN CB C 29.360 0.2 1 374 97 97 GLN N N 115.263 0.1 1 375 98 98 CYS H H 7.530 0.02 1 376 98 98 CYS C C 176.000 0.2 1 377 98 98 CYS CA C 59.262 0.2 1 378 98 98 CYS CB C 28.076 0.2 1 379 98 98 CYS N N 120.802 0.1 1 380 99 99 THR H H 8.751 0.02 1 381 99 99 THR C C 173.928 0.2 1 382 99 99 THR CA C 63.232 0.2 1 383 99 99 THR CB C 69.194 0.2 1 384 99 99 THR N N 120.588 0.1 1 385 100 100 ASP H H 7.653 0.02 1 386 100 100 ASP C C 175.431 0.2 1 387 100 100 ASP CA C 53.762 0.2 1 388 100 100 ASP CB C 43.723 0.2 1 389 100 100 ASP N N 125.040 0.1 1 390 101 101 LYS H H 8.778 0.02 1 391 101 101 LYS C C 178.300 0.2 1 392 101 101 LYS CA C 60.199 0.2 1 393 101 101 LYS CB C 32.405 0.2 1 394 101 101 LYS N N 128.118 0.1 1 395 102 102 ARG H H 8.114 0.02 1 396 102 102 ARG C C 178.340 0.2 1 397 102 102 ARG CA C 59.651 0.2 1 398 102 102 ARG CB C 29.876 0.2 1 399 102 102 ARG N N 122.417 0.1 1 400 103 103 ILE H H 7.894 0.02 1 401 103 103 ILE C C 178.102 0.2 1 402 103 103 ILE CA C 64.901 0.2 1 403 103 103 ILE CB C 37.854 0.2 1 404 103 103 ILE N N 120.976 0.1 1 405 104 104 ARG H H 8.343 0.02 1 406 104 104 ARG C C 177.400 0.2 1 407 104 104 ARG CA C 60.751 0.2 1 408 104 104 ARG CB C 30.787 0.2 1 409 104 104 ARG N N 119.793 0.1 1 410 105 105 THR H H 7.892 0.02 1 411 105 105 THR C C 176.351 0.2 1 412 105 105 THR CA C 67.013 0.2 1 413 105 105 THR CB C 69.043 0.2 1 414 105 105 THR N N 114.065 0.1 1 415 106 106 ASN H H 8.003 0.02 1 416 106 106 ASN C C 177.838 0.2 1 417 106 106 ASN CA C 56.435 0.2 1 418 106 106 ASN CB C 37.888 0.2 1 419 106 106 ASN N N 122.132 0.1 1 420 107 107 LEU H H 8.467 0.02 1 421 107 107 LEU C C 177.802 0.2 1 422 107 107 LEU CA C 57.944 0.2 1 423 107 107 LEU CB C 41.634 0.2 1 424 107 107 LEU N N 121.369 0.1 1 425 108 108 LEU H H 8.214 0.02 1 426 108 108 LEU C C 179.331 0.2 1 427 108 108 LEU CA C 58.367 0.2 1 428 108 108 LEU CB C 40.905 0.2 1 429 108 108 LEU N N 119.168 0.1 1 430 109 109 GLN H H 8.034 0.02 1 431 109 109 GLN C C 179.242 0.2 1 432 109 109 GLN CA C 59.314 0.2 1 433 109 109 GLN CB C 28.396 0.2 1 434 109 109 GLN N N 117.795 0.1 1 435 110 110 VAL H H 7.720 0.02 1 436 110 110 VAL C C 178.179 0.2 1 437 110 110 VAL CA C 65.352 0.2 1 438 110 110 VAL CB C 31.605 0.2 1 439 110 110 VAL N N 117.269 0.1 1 440 111 111 CYS H H 8.142 0.02 1 441 111 111 CYS C C 176.841 0.2 1 442 111 111 CYS CA C 62.036 0.2 1 443 111 111 CYS CB C 27.469 0.2 1 444 111 111 CYS N N 118.078 0.1 1 445 112 112 GLU H H 7.779 0.02 1 446 112 112 GLU C C 178.001 0.2 1 447 112 112 GLU CA C 58.610 0.2 1 448 112 112 GLU CB C 29.357 0.2 1 449 112 112 GLU N N 119.840 0.1 1 450 113 113 ARG H H 7.400 0.02 1 451 113 113 ARG C C 177.966 0.2 1 452 113 113 ARG CA C 57.769 0.2 1 453 113 113 ARG CB C 30.896 0.2 1 454 113 113 ARG N N 116.933 0.1 1 455 114 114 ILE H H 7.563 0.02 1 456 114 114 ILE C C 174.868 0.2 1 457 114 114 ILE CA C 68.461 0.2 1 458 114 114 ILE CB C 35.185 0.2 1 459 114 114 ILE N N 119.118 0.1 1 460 115 115 PRO C C 179.482 0.2 1 461 115 115 PRO CA C 66.248 0.2 1 462 115 115 PRO CB C 30.875 0.2 1 463 116 116 THR H H 7.111 0.02 1 464 116 116 THR C C 176.425 0.2 1 465 116 116 THR CA C 66.404 0.2 1 466 116 116 THR CB C 68.837 0.2 1 467 116 116 THR N N 114.362 0.1 1 468 117 117 ILE H H 7.892 0.02 1 469 117 117 ILE C C 179.316 0.2 1 470 117 117 ILE CA C 65.409 0.2 1 471 117 117 ILE CB C 38.079 0.2 1 472 117 117 ILE N N 122.935 0.1 1 473 118 118 SER H H 8.867 0.02 1 474 118 118 SER C C 176.942 0.2 1 475 118 118 SER CA C 62.558 0.2 1 476 118 118 SER N N 116.640 0.1 1 477 119 119 THR H H 8.162 0.02 1 478 119 119 THR CA C 67.727 0.2 1 479 119 119 THR CB C 68.343 0.2 1 480 119 119 THR N N 121.182 0.1 1 481 121 121 LEU C C 180.157 0.2 1 482 121 121 LEU CA C 58.985 0.2 1 483 121 121 LEU CB C 40.777 0.2 1 484 122 122 LYS H H 7.877 0.02 1 485 122 122 LYS C C 179.309 0.2 1 486 122 122 LYS CA C 61.210 0.2 1 487 122 122 LYS CB C 31.611 0.2 1 488 122 122 LYS N N 121.865 0.1 1 489 123 123 ILE H H 7.866 0.02 1 490 123 123 ILE C C 179.089 0.2 1 491 123 123 ILE CA C 65.495 0.2 1 492 123 123 ILE CB C 38.370 0.2 1 493 123 123 ILE N N 122.180 0.1 1 494 124 124 LEU H H 8.833 0.02 1 495 124 124 LEU C C 180.093 0.2 1 496 124 124 LEU CA C 57.465 0.2 1 497 124 124 LEU CB C 41.905 0.2 1 498 124 124 LEU N N 120.169 0.1 1 499 125 125 SER H H 8.631 0.02 1 500 125 125 SER CA C 63.630 0.2 1 501 125 125 SER CB C 62.782 0.2 1 502 125 125 SER N N 118.179 0.1 1 503 128 128 LYS C C 177.941 0.2 1 504 128 128 LYS CA C 57.856 0.2 1 505 128 128 LYS CB C 31.059 0.2 1 506 129 129 ALA H H 8.439 0.02 1 507 129 129 ALA C C 179.283 0.2 1 508 129 129 ALA CA C 55.354 0.2 1 509 129 129 ALA CB C 18.753 0.2 1 510 129 129 ALA N N 120.670 0.1 1 511 130 130 THR H H 7.664 0.02 1 512 130 130 THR C C 175.369 0.2 1 513 130 130 THR CA C 65.017 0.2 1 514 130 130 THR CB C 69.743 0.2 1 515 130 130 THR N N 109.543 0.1 1 516 131 131 MET H H 7.635 0.02 1 517 131 131 MET C C 176.974 0.2 1 518 131 131 MET CA C 57.243 0.2 1 519 131 131 MET CB C 33.414 0.2 1 520 131 131 MET N N 119.913 0.1 1 521 132 132 LEU H H 7.278 0.02 1 522 132 132 LEU C C 178.303 0.2 1 523 132 132 LEU CA C 56.678 0.2 1 524 132 132 LEU CB C 41.433 0.2 1 525 132 132 LEU N N 120.610 0.1 1 526 133 133 GLY H H 8.601 0.02 1 527 133 133 GLY C C 174.206 0.2 1 528 133 133 GLY CA C 45.791 0.2 1 529 133 133 GLY N N 109.347 0.1 1 530 134 134 ARG H H 7.674 0.02 1 531 134 134 ARG C C 176.876 0.2 1 532 134 134 ARG CA C 56.228 0.2 1 533 134 134 ARG CB C 30.590 0.2 1 534 134 134 ARG N N 120.831 0.1 1 535 135 135 THR H H 8.294 0.02 1 536 135 135 THR C C 174.628 0.2 1 537 135 135 THR CA C 62.277 0.2 1 538 135 135 THR CB C 69.722 0.2 1 539 135 135 THR N N 114.361 0.1 1 540 136 136 ASN H H 8.313 0.02 1 541 136 136 ASN C C 174.802 0.2 1 542 136 136 ASN CA C 53.561 0.2 1 543 136 136 ASN CB C 37.955 0.2 1 544 136 136 ASN N N 119.850 0.1 1 545 137 137 ILE H H 7.565 0.02 1 546 137 137 ILE C C 175.855 0.2 1 547 137 137 ILE CA C 60.348 0.2 1 548 137 137 ILE CB C 38.744 0.2 1 549 137 137 ILE N N 120.206 0.1 1 550 138 138 SER H H 8.495 0.02 1 551 138 138 SER C C 174.819 0.2 1 552 138 138 SER CA C 58.244 0.2 1 553 138 138 SER CB C 64.204 0.2 1 554 138 138 SER N N 121.817 0.1 1 555 139 139 ASP H H 8.572 0.02 1 556 139 139 ASP C C 177.724 0.2 1 557 139 139 ASP CA C 56.621 0.2 1 558 139 139 ASP CB C 40.749 0.2 1 559 139 139 ASP N N 124.726 0.1 1 560 140 140 GLU H H 8.649 0.02 1 561 140 140 GLU C C 178.977 0.2 1 562 140 140 GLU CA C 59.888 0.2 1 563 140 140 GLU CB C 29.128 0.2 1 564 140 140 GLU N N 120.714 0.1 1 565 141 141 GLU H H 7.889 0.02 1 566 141 141 GLU C C 178.547 0.2 1 567 141 141 GLU CA C 59.739 0.2 1 568 141 141 GLU CB C 29.543 0.2 1 569 141 141 GLU N N 120.605 0.1 1 570 142 142 SER H H 8.031 0.02 1 571 142 142 SER C C 178.368 0.2 1 572 142 142 SER CA C 61.022 0.2 1 573 142 142 SER CB C 63.225 0.2 1 574 142 142 SER N N 114.936 0.1 1 575 143 143 GLU H H 8.523 0.02 1 576 143 143 GLU C C 179.362 0.2 1 577 143 143 GLU CA C 59.188 0.2 1 578 143 143 GLU CB C 28.970 0.2 1 579 143 143 GLU N N 121.922 0.1 1 580 144 144 GLN H H 8.144 0.02 1 581 144 144 GLN CA C 58.778 0.2 1 582 144 144 GLN CB C 28.165 0.2 1 583 144 144 GLN N N 119.771 0.1 1 584 148 148 MET C C 179.437 0.2 1 585 148 148 MET CA C 59.381 0.2 1 586 148 148 MET CB C 33.942 0.2 1 587 149 149 LEU H H 7.742 0.02 1 588 149 149 LEU C C 177.869 0.2 1 589 149 149 LEU CA C 59.259 0.2 1 590 149 149 LEU CB C 42.006 0.2 1 591 149 149 LEU N N 123.470 0.1 1 592 150 150 VAL H H 8.798 0.02 1 593 150 150 VAL C C 178.127 0.2 1 594 150 150 VAL CA C 67.255 0.2 1 595 150 150 VAL CB C 31.408 0.2 1 596 150 150 VAL N N 120.985 0.1 1 597 151 151 HIS H H 8.246 0.02 1 598 151 151 HIS C C 177.855 0.2 1 599 151 151 HIS CA C 58.666 0.2 1 600 151 151 HIS CB C 28.638 0.2 1 601 151 151 HIS N N 117.385 0.1 1 602 152 152 ASN H H 7.774 0.02 1 603 152 152 ASN C C 176.551 0.2 1 604 152 152 ASN CA C 57.923 0.2 1 605 152 152 ASN CB C 40.356 0.2 1 606 152 152 ASN N N 119.055 0.1 1 607 153 153 ALA H H 8.828 0.02 1 608 153 153 ALA C C 179.903 0.2 1 609 153 153 ALA CA C 56.314 0.2 1 610 153 153 ALA CB C 18.993 0.2 1 611 153 153 ALA N N 123.550 0.1 1 612 154 154 GLN H H 8.663 0.02 1 613 154 154 GLN C C 178.851 0.2 1 614 154 154 GLN CA C 59.879 0.2 1 615 154 154 GLN CB C 28.521 0.2 1 616 154 154 GLN N N 116.914 0.1 1 617 155 155 ASN H H 7.966 0.02 1 618 155 155 ASN C C 178.647 0.2 1 619 155 155 ASN CA C 55.927 0.2 1 620 155 155 ASN CB C 37.972 0.2 1 621 155 155 ASN N N 119.257 0.1 1 622 156 156 LEU H H 8.895 0.02 1 623 156 156 LEU C C 178.165 0.2 1 624 156 156 LEU CA C 58.666 0.2 1 625 156 156 LEU CB C 40.944 0.2 1 626 156 156 LEU N N 124.134 0.1 1 627 157 157 MET H H 8.271 0.02 1 628 157 157 MET C C 178.382 0.2 1 629 157 157 MET CA C 59.018 0.2 1 630 157 157 MET CB C 34.498 0.2 1 631 157 157 MET N N 116.811 0.1 1 632 158 158 GLN H H 8.202 0.02 1 633 158 158 GLN C C 178.746 0.2 1 634 158 158 GLN CA C 59.262 0.2 1 635 158 158 GLN CB C 27.885 0.2 1 636 158 158 GLN N N 119.022 0.1 1 637 159 159 SER H H 8.257 0.02 1 638 159 159 SER C C 177.353 0.2 1 639 159 159 SER CA C 63.139 0.2 1 640 159 159 SER N N 116.491 0.1 1 641 160 160 VAL H H 8.523 0.02 1 642 160 160 VAL C C 176.900 0.2 1 643 160 160 VAL CA C 67.622 0.2 1 644 160 160 VAL CB C 30.842 0.2 1 645 160 160 VAL N N 125.293 0.1 1 646 161 161 LYS H H 8.402 0.02 1 647 161 161 LYS C C 178.107 0.2 1 648 161 161 LYS CA C 61.439 0.2 1 649 161 161 LYS CB C 31.861 0.2 1 650 161 161 LYS N N 123.405 0.1 1 651 162 162 GLU C C 178.496 0.2 1 652 162 162 GLU CA C 59.271 0.2 1 653 162 162 GLU CB C 29.176 0.2 1 654 163 163 THR H H 7.856 0.02 1 655 163 163 THR C C 175.824 0.2 1 656 163 163 THR CA C 68.550 0.2 1 657 163 163 THR CB C 67.529 0.2 1 658 163 163 THR N N 118.354 0.1 1 659 164 164 VAL H H 8.226 0.02 1 660 164 164 VAL C C 176.705 0.2 1 661 164 164 VAL CA C 68.098 0.2 1 662 164 164 VAL CB C 31.123 0.2 1 663 164 164 VAL N N 121.801 0.1 1 664 165 165 ARG H H 7.476 0.02 1 665 165 165 ARG C C 180.219 0.2 1 666 165 165 ARG CA C 59.573 0.2 1 667 165 165 ARG CB C 30.065 0.2 1 668 165 165 ARG N N 117.294 0.1 1 669 166 166 GLU H H 8.525 0.02 1 670 166 166 GLU C C 178.206 0.2 1 671 166 166 GLU CA C 58.131 0.2 1 672 166 166 GLU CB C 28.966 0.2 1 673 166 166 GLU N N 119.531 0.1 1 674 167 167 ALA H H 8.880 0.02 1 675 167 167 ALA C C 179.333 0.2 1 676 167 167 ALA CA C 55.137 0.2 1 677 167 167 ALA CB C 16.886 0.2 1 678 167 167 ALA N N 122.554 0.1 1 679 168 168 GLU H H 7.311 0.02 1 680 168 168 GLU C C 178.759 0.2 1 681 168 168 GLU CA C 59.766 0.2 1 682 168 168 GLU CB C 26.153 0.2 1 683 168 168 GLU N N 122.725 0.1 1 684 169 169 ALA H H 7.108 0.02 1 685 169 169 ALA C C 180.211 0.2 1 686 169 169 ALA CA C 54.987 0.2 1 687 169 169 ALA CB C 17.603 0.2 1 688 169 169 ALA N N 122.747 0.1 1 689 170 170 ALA H H 8.158 0.02 1 690 170 170 ALA C C 179.132 0.2 1 691 170 170 ALA CA C 54.026 0.2 1 692 170 170 ALA CB C 19.508 0.2 1 693 170 170 ALA N N 118.657 0.1 1 694 171 171 SER H H 7.374 0.02 1 695 171 171 SER C C 174.988 0.2 1 696 171 171 SER CA C 61.562 0.2 1 697 171 171 SER CB C 63.550 0.2 1 698 171 171 SER N N 112.921 0.1 1 699 172 172 ILE H H 7.004 0.02 1 700 172 172 ILE C C 176.837 0.2 1 701 172 172 ILE CA C 62.651 0.2 1 702 172 172 ILE CB C 37.720 0.2 1 703 172 172 ILE N N 119.412 0.1 1 704 173 173 LYS H H 7.580 0.02 1 705 173 173 LYS C C 175.274 0.2 1 706 173 173 LYS CA C 54.593 0.2 1 707 173 173 LYS CB C 31.909 0.2 1 708 173 173 LYS N N 121.804 0.1 1 709 174 174 ILE H H 7.277 0.02 1 710 174 174 ILE C C 176.767 0.2 1 711 174 174 ILE CA C 60.773 0.2 1 712 174 174 ILE CB C 39.759 0.2 1 713 174 174 ILE N N 120.223 0.1 1 714 175 175 ARG H H 8.417 0.02 1 715 175 175 ARG C C 177.176 0.2 1 716 175 175 ARG CA C 56.781 0.2 1 717 175 175 ARG CB C 31.021 0.2 1 718 175 175 ARG N N 125.870 0.1 1 719 176 176 THR H H 8.240 0.02 1 720 176 176 THR C C 174.671 0.2 1 721 176 176 THR CA C 63.464 0.2 1 722 176 176 THR CB C 69.368 0.2 1 723 176 176 THR N N 115.430 0.1 1 724 177 177 ASP H H 8.312 0.02 1 725 177 177 ASP C C 175.970 0.2 1 726 177 177 ASP CA C 53.966 0.2 1 727 177 177 ASP CB C 40.140 0.2 1 728 177 177 ASP N N 121.132 0.1 1 729 178 178 ALA H H 7.575 0.02 1 730 178 178 ALA C C 178.276 0.2 1 731 178 178 ALA CA C 53.250 0.2 1 732 178 178 ALA CB C 19.430 0.2 1 733 178 178 ALA N N 122.707 0.1 1 734 179 179 GLY H H 8.171 0.02 1 735 179 179 GLY C C 173.485 0.2 1 736 179 179 GLY CA C 45.640 0.2 1 737 179 179 GLY N N 108.095 0.1 1 738 180 180 PHE H H 7.598 0.02 1 739 180 180 PHE C C 174.646 0.2 1 740 180 180 PHE CA C 58.046 0.2 1 741 180 180 PHE CB C 40.279 0.2 1 742 180 180 PHE N N 120.872 0.1 1 743 181 181 THR H H 7.744 0.02 1 744 181 181 THR C C 172.866 0.2 1 745 181 181 THR CA C 61.001 0.2 1 746 181 181 THR CB C 71.095 0.2 1 747 181 181 THR N N 118.358 0.1 1 748 182 182 LEU H H 7.863 0.02 1 749 182 182 LEU C C 175.163 0.2 1 750 182 182 LEU CA C 54.440 0.2 1 751 182 182 LEU CB C 43.624 0.2 1 752 182 182 LEU N N 123.186 0.1 1 753 183 183 ARG H H 7.281 0.02 1 754 183 183 ARG C C 176.031 0.2 1 755 183 183 ARG CA C 55.265 0.2 1 756 183 183 ARG CB C 31.360 0.2 1 757 183 183 ARG N N 121.549 0.1 1 758 184 184 TRP C C 174.913 0.2 1 759 184 184 TRP CA C 55.504 0.2 1 760 184 184 TRP CB C 26.647 0.2 1 761 185 185 VAL H H 8.470 0.02 1 762 185 185 VAL C C 176.215 0.2 1 763 185 185 VAL CA C 56.876 0.2 1 764 185 185 VAL CB C 30.215 0.2 1 765 185 185 VAL N N 123.105 0.1 1 766 186 186 ARG H H 8.361 0.02 1 767 186 186 ARG C C 176.266 0.2 1 768 186 186 ARG CA C 56.721 0.2 1 769 186 186 ARG CB C 30.224 0.2 1 770 186 186 ARG N N 122.857 0.1 1 771 187 187 LYS H H 8.295 0.02 1 772 187 187 LYS C C 176.385 0.2 1 773 187 187 LYS CA C 56.470 0.2 1 774 187 187 LYS CB C 32.670 0.2 1 775 187 187 LYS N N 122.756 0.1 1 776 188 188 THR H H 7.957 0.02 1 777 188 188 THR C C 172.959 0.2 1 778 188 188 THR CA C 59.436 0.2 1 779 188 188 THR CB C 69.676 0.2 1 780 188 188 THR N N 117.319 0.1 1 781 189 189 PRO C C 174.967 0.2 1 782 190 190 TRP H H 10.037 0.02 1 783 190 190 TRP C C 175.359 0.2 1 784 190 190 TRP CA C 57.393 0.2 1 785 190 190 TRP CB C 29.471 0.2 1 786 190 190 TRP N N 130.270 0.1 1 787 191 191 TYR H H 7.387 0.02 1 788 191 191 TYR C C 174.137 0.2 1 789 191 191 TYR CA C 57.607 0.2 1 790 191 191 TYR CB C 38.660 0.2 1 791 191 191 TYR N N 122.089 0.1 1 792 192 192 GLN H H 7.455 0.02 1 793 192 192 GLN C C 180.065 0.2 1 794 192 192 GLN CA C 57.575 0.2 1 795 192 192 GLN CB C 30.458 0.2 1 796 192 192 GLN N N 126.913 0.1 1 stop_ save_