data_15726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for La NTD ; _BMRB_accession_number 15726 _BMRB_flat_file_name bmr15726.str _Entry_type original _Submission_date 2008-04-14 _Accession_date 2008-04-14 _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 Conte Maria R. . 2 Sanfelice Domenico . . 3 Kelly Geoff . . 4 Curry Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 323 "13C chemical shifts" 479 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-14 update BMRB 'added PubMed ID' 2008-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15727 'assignment of the N-terminal region of human La protein in complex with RNA' 5719 'Full assignment of the central RRM of La protein' 6044 'Full assignment of La motif of La protein' stop_ save_ ############################# # Citation for this entry # ############################# save_La_NTD_apo_and_with_U4 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the N-terminal region of human La free and in complex with RNA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636881 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Kelly Geoff . . 3 Curry Stephen . . 4 Conte Maria R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107 _Page_last 109 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'La NTD apo' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La NTD' $La_protein 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_La_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common La_protein _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; MAENGDNEKMAALEAKICHQ IEYYFGDFNLPRDKFLKEQI KLDEGWVPLEIMIKFNRLNR LTTDFNVIVEALSKSKAELM EISEDKTKIRRSPSKPLPEV TDEYKNDVKNRSVYIKGFPT DATLDDIKEWLEDKGQVLNI QMRRTLHKAFKGSIFVVFDS IESAKKFVETPGQKYKETDL LILFKDDYFAKKNEVDS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ASN 5 GLY 6 ASP 7 ASN 8 GLU 9 LYS 10 MET 11 ALA 12 ALA 13 LEU 14 GLU 15 ALA 16 LYS 17 ILE 18 CYS 19 HIS 20 GLN 21 ILE 22 GLU 23 TYR 24 TYR 25 PHE 26 GLY 27 ASP 28 PHE 29 ASN 30 LEU 31 PRO 32 ARG 33 ASP 34 LYS 35 PHE 36 LEU 37 LYS 38 GLU 39 GLN 40 ILE 41 LYS 42 LEU 43 ASP 44 GLU 45 GLY 46 TRP 47 VAL 48 PRO 49 LEU 50 GLU 51 ILE 52 MET 53 ILE 54 LYS 55 PHE 56 ASN 57 ARG 58 LEU 59 ASN 60 ARG 61 LEU 62 THR 63 THR 64 ASP 65 PHE 66 ASN 67 VAL 68 ILE 69 VAL 70 GLU 71 ALA 72 LEU 73 SER 74 LYS 75 SER 76 LYS 77 ALA 78 GLU 79 LEU 80 MET 81 GLU 82 ILE 83 SER 84 GLU 85 ASP 86 LYS 87 THR 88 LYS 89 ILE 90 ARG 91 ARG 92 SER 93 PRO 94 SER 95 LYS 96 PRO 97 LEU 98 PRO 99 GLU 100 VAL 101 THR 102 ASP 103 GLU 104 TYR 105 LYS 106 ASN 107 ASP 108 VAL 109 LYS 110 ASN 111 ARG 112 SER 113 VAL 114 TYR 115 ILE 116 LYS 117 GLY 118 PHE 119 PRO 120 THR 121 ASP 122 ALA 123 THR 124 LEU 125 ASP 126 ASP 127 ILE 128 LYS 129 GLU 130 TRP 131 LEU 132 GLU 133 ASP 134 LYS 135 GLY 136 GLN 137 VAL 138 LEU 139 ASN 140 ILE 141 GLN 142 MET 143 ARG 144 ARG 145 THR 146 LEU 147 HIS 148 LYS 149 ALA 150 PHE 151 LYS 152 GLY 153 SER 154 ILE 155 PHE 156 VAL 157 VAL 158 PHE 159 ASP 160 SER 161 ILE 162 GLU 163 SER 164 ALA 165 LYS 166 LYS 167 PHE 168 VAL 169 GLU 170 THR 171 PRO 172 GLY 173 GLN 174 LYS 175 TYR 176 LYS 177 GLU 178 THR 179 ASP 180 LEU 181 LEU 182 ILE 183 LEU 184 PHE 185 LYS 186 ASP 187 ASP 188 TYR 189 PHE 190 ALA 191 LYS 192 LYS 193 ASN 194 GLU 195 VAL 196 ASP 197 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15727 La_protein 100.00 197 100.00 100.00 4.11e-140 BMRB 17878 human_La_protein 96.95 322 100.00 100.00 7.54e-135 PDB 1S7A "Nmr Structure Of The La Motif Of Human La Protein" 52.28 103 100.00 100.00 6.63e-67 PDB 1YTY "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 97.97 194 97.93 97.93 1.08e-132 PDB 1ZH5 "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 97.97 195 97.93 97.93 8.80e-133 PDB 2VOD "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VON "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VOO "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VOP "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" 97.97 193 98.96 98.96 1.38e-135 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 DBJ BAG70042 "autoantigen La [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 DBJ BAG70165 "autoantigen La [Homo sapiens]" 98.48 408 100.00 100.00 1.01e-136 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 98.48 408 100.00 100.00 1.12e-136 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 EMBL CAA31986 "unnamed protein product [Bos taurus]" 98.48 404 96.91 98.45 4.36e-133 GB AAA36577 "ribonucleoprotein La, partial [Homo sapiens]" 71.07 355 100.00 100.00 1.72e-92 GB AAA51885 "La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAI03235 "Sjogren syndrome antigen B (autoantigen La) [Bos taurus]" 98.48 404 97.42 98.45 1.03e-133 REF NP_001267347 "lupus La protein [Pan troglodytes]" 98.48 408 99.48 99.48 1.60e-135 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 REF NP_001281074 "lupus La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 REF NP_001296114 "Sjogren syndrome antigen B (autoantigen La) [Equus caballus]" 98.48 405 98.45 99.48 6.96e-135 REF NP_003133 "lupus La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 98.48 408 100.00 100.00 1.12e-136 SP P10881 "RecName: Full=Lupus La protein homolog; AltName: Full=La autoantigen homolog; AltName: Full=La ribonucleoprotein" 98.48 404 97.42 98.45 1.03e-133 TPG DAA32804 "TPA: lupus La protein homolog [Bos taurus]" 98.48 404 97.42 98.45 1.03e-133 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $La_protein Human 9606 Eukaryota Metazoa Homo sapiens 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 $La_protein 'recombinant technology' . Escherichia coli BL21 pET3a 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 $La_protein 0.2-0.3 mM '[U-100% 13C; U-100% 15N]' Tris-HCl 20 mM . KCl 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Tris-HCl, 100 mM KCl, 1 mM DTT, pH 7' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7 . pH pressure 1 . atm temperature 293 . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D HN(CO)CA' '3D HNCO' 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 'La NTD' _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 3 3 GLU H H 8.443 0.030 1 2 3 3 GLU C C 176.208 0.030 1 3 3 3 GLU CA C 56.413 0.030 1 4 3 3 GLU CB C 30.094 0.030 1 5 3 3 GLU N N 120.89 0.030 1 6 4 4 ASN H H 8.702 0.030 1 7 4 4 ASN C C 175.825 0.030 1 8 4 4 ASN CA C 53.53 0.030 1 9 4 4 ASN CB C 38.847 0.030 1 10 4 4 ASN N N 119.89 0.030 1 11 5 5 GLY H H 8.519 0.030 1 12 5 5 GLY C C 174.527 0.030 1 13 5 5 GLY CA C 45.678 0.030 1 14 5 5 GLY N N 109.64 0.030 1 15 6 6 ASP H H 8.327 0.030 1 16 6 6 ASP HA H 4.602 0.030 1 17 6 6 ASP C C 177.068 0.030 1 18 6 6 ASP CA C 55.097 0.030 1 19 6 6 ASP CB C 40.792 0.030 1 20 6 6 ASP N N 120.89 0.030 1 21 7 7 ASN H H 8.567 0.030 1 22 7 7 ASN HA H 4.605 0.030 1 23 7 7 ASN C C 176.754 0.030 1 24 7 7 ASN CA C 54.748 0.030 1 25 7 7 ASN CB C 38.43 0.030 1 26 7 7 ASN N N 119.64 0.030 1 27 8 8 GLU H H 8.491 0.030 1 28 8 8 GLU C C 178.457 0.030 1 29 8 8 GLU CA C 58.809 0.030 1 30 8 8 GLU CB C 29.677 0.030 1 31 8 8 GLU N N 121.64 0.030 1 32 9 9 LYS H H 8.197 0.030 1 33 9 9 LYS C C 179.07 0.030 1 34 9 9 LYS CA C 58.857 0.030 1 35 9 9 LYS CB C 32.456 0.030 1 36 9 9 LYS N N 121.14 0.030 1 37 10 10 MET H H 8.231 0.030 1 38 10 10 MET HA H 4.491 0.030 1 39 10 10 MET C C 177.654 0.030 1 40 10 10 MET CA C 56.764 0.030 1 41 10 10 MET CB C 31.831 0.030 1 42 10 10 MET N N 120.39 0.030 1 43 11 11 ALA H H 8.276 0.030 1 44 11 11 ALA HA H 4.281 0.030 1 45 11 11 ALA C C 176.607 0.030 1 46 11 11 ALA CA C 54.864 0.030 1 47 11 11 ALA CB C 17.937 0.030 1 48 11 11 ALA N N 123.14 0.030 1 49 12 12 ALA H H 8.033 0.030 1 50 12 12 ALA HA H 4.244 0.030 1 51 12 12 ALA CA C 57.449 0.030 1 52 12 12 ALA CB C 17.659 0.030 1 53 12 12 ALA N N 121.39 0.030 1 54 13 13 LEU C C 179.004 0.030 1 55 14 14 GLU H H 8.542 0.030 1 56 14 14 GLU HA H 3.773 0.030 1 57 14 14 GLU C C 178.457 0.030 1 58 14 14 GLU CA C 60.213 0.030 1 59 14 14 GLU CB C 29.26 0.030 1 60 14 14 GLU N N 117.14 0.030 1 61 15 15 ALA H H 7.95 0.030 1 62 15 15 ALA HA H 4.178 0.030 1 63 15 15 ALA C C 180.56 0.030 1 64 15 15 ALA CA C 55.136 0.030 1 65 15 15 ALA CB C 18.006 0.030 1 66 15 15 ALA N N 121.14 0.030 1 67 16 16 LYS H H 7.768 0.030 1 68 16 16 LYS HA H 4.125 0.030 1 69 16 16 LYS C C 179.926 0.030 1 70 16 16 LYS CA C 57.854 0.030 1 71 16 16 LYS N N 118.89 0.030 1 72 17 17 ILE H H 8.519 0.030 1 73 17 17 ILE HA H 3.462 0.030 1 74 17 17 ILE CA C 65.963 0.030 1 75 17 17 ILE N N 120.89 0.030 1 76 18 18 CYS C C 176.739 0.030 1 77 18 18 CYS CA C 64.551 0.030 1 78 18 18 CYS CB C 25.579 0.030 1 79 19 19 HIS H H 8.368 0.030 1 80 19 19 HIS CA C 54.386 0.030 1 81 19 19 HIS N N 116.64 0.030 1 82 20 20 GLN HA H 4.032 0.030 1 83 20 20 GLN C C 177.993 0.030 1 84 20 20 GLN CA C 57.674 0.030 1 85 20 20 GLN CB C 28.844 0.030 1 86 21 21 ILE H H 8.377 0.030 1 87 21 21 ILE C C 177.256 0.030 1 88 21 21 ILE CA C 66.548 0.030 1 89 21 21 ILE N N 119.14 0.030 1 90 22 22 GLU H H 8.894 0.030 1 91 22 22 GLU HA H 3.863 0.030 1 92 22 22 GLU C C 178.76 0.030 1 93 22 22 GLU CA C 59.07 0.030 1 94 22 22 GLU N N 117.39 0.030 1 95 23 23 TYR H H 7.708 0.030 1 96 23 23 TYR HA H 4.191 0.030 1 97 23 23 TYR C C 179.306 0.030 1 98 23 23 TYR CA C 61.503 0.030 1 99 23 23 TYR N N 119.39 0.030 1 100 24 24 TYR H H 8.113 0.030 1 101 24 24 TYR HA H 4.178 0.030 1 102 24 24 TYR C C 177.138 0.030 1 103 24 24 TYR CA C 60.467 0.030 1 104 24 24 TYR CB C 37.527 0.030 1 105 24 24 TYR N N 120.89 0.030 1 106 25 25 PHE H H 7.71 0.030 1 107 25 25 PHE HA H 4.456 0.030 1 108 25 25 PHE C C 173.641 0.030 1 109 25 25 PHE CA C 58.663 0.030 1 110 25 25 PHE CB C 39.334 0.030 1 111 25 25 PHE N N 111.64 0.030 1 112 26 26 GLY H H 7.359 0.030 1 113 26 26 GLY HA2 H 4.006 0.030 2 114 26 26 GLY HA3 H 4.006 0.030 2 115 26 26 GLY C C 172.845 0.030 1 116 26 26 GLY CA C 45.291 0.030 1 117 26 26 GLY N N 108.14 0.030 1 118 27 27 ASP H H 8.545 0.030 1 119 27 27 ASP HA H 4.032 0.030 1 120 27 27 ASP C C 176.194 0.030 1 121 27 27 ASP CA C 56.57 0.030 1 122 27 27 ASP CB C 40.376 0.030 1 123 27 27 ASP N N 115.39 0.030 1 124 28 28 PHE H H 7.661 0.030 1 125 28 28 PHE HA H 4.417 0.030 1 126 28 28 PHE CA C 59.593 0.030 1 127 28 28 PHE CB C 39.611 0.030 1 128 28 28 PHE N N 116.39 0.030 1 129 29 29 ASN H H 8.826 0.030 1 130 29 29 ASN HA H 4.006 0.030 1 131 29 29 ASN C C 176.68 0.030 1 132 29 29 ASN CA C 57.539 0.030 1 133 29 29 ASN CB C 41.001 0.030 1 134 29 29 ASN N N 116.39 0.030 1 135 30 30 LEU H H 7.891 0.030 1 136 30 30 LEU HA H 4.165 0.030 1 137 30 30 LEU CA C 60.834 0.030 1 138 30 30 LEU N N 118.89 0.030 1 139 31 31 PRO C C 177.241 0.030 1 140 31 31 PRO CA C 65.037 0.030 1 141 31 31 PRO CB C 31.831 0.030 1 142 32 32 ARG H H 7.174 0.030 1 143 32 32 ARG HA H 4.324 0.030 1 144 32 32 ARG C C 175.264 0.030 1 145 32 32 ARG CA C 55.106 0.030 1 146 32 32 ARG CB C 31.692 0.030 1 147 32 32 ARG N N 113.64 0.030 1 148 33 33 ASP H H 7.496 0.030 1 149 33 33 ASP HA H 4.642 0.030 1 150 33 33 ASP C C 174.718 0.030 1 151 33 33 ASP CA C 53.575 0.030 1 152 33 33 ASP CB C 41.418 0.030 1 153 33 33 ASP N N 124.14 0.030 1 154 34 34 LYS H H 8.517 0.030 1 155 34 34 LYS HA H 3.82 0.030 1 156 34 34 LYS C C 178.191 0.030 1 157 34 34 LYS CA C 59.989 0.030 1 158 34 34 LYS CB C 32.734 0.030 1 159 34 34 LYS N N 125.39 0.030 1 160 35 35 PHE H H 8.196 0.030 1 161 35 35 PHE HA H 4.443 0.030 1 162 35 35 PHE C C 178.229 0.030 1 163 35 35 PHE CA C 60.613 0.030 1 164 35 35 PHE CB C 39.542 0.030 1 165 35 35 PHE N N 118.14 0.030 1 166 36 36 LEU H H 8.616 0.030 1 167 36 36 LEU HA H 3.719 0.030 1 168 36 36 LEU C C 178.583 0.030 1 169 36 36 LEU CA C 57.602 0.030 1 170 36 36 LEU CB C 41.765 0.030 1 171 36 36 LEU N N 121.89 0.030 1 172 37 37 LYS H H 8.733 0.030 1 173 37 37 LYS HA H 3.78 0.030 1 174 37 37 LYS C C 178.746 0.030 1 175 37 37 LYS CA C 60.209 0.030 1 176 37 37 LYS CB C 31.553 0.030 1 177 37 37 LYS N N 117.39 0.030 1 178 38 38 GLU H H 7.18 0.030 1 179 38 38 GLU HA H 4.112 0.030 1 180 38 38 GLU C C 179.601 0.030 1 181 38 38 GLU CA C 58.08 0.030 1 182 38 38 GLU CB C 29.121 0.030 1 183 38 38 GLU N N 115.89 0.030 1 184 39 39 GLN H H 7.76 0.030 1 185 39 39 GLN HA H 3.847 0.030 1 186 39 39 GLN C C 180.708 0.030 1 187 39 39 GLN CA C 57.786 0.030 1 188 39 39 GLN CB C 28.149 0.030 1 189 39 39 GLN N N 118.39 0.030 1 190 40 40 ILE H H 8.277 0.030 1 191 40 40 ILE HA H 4.045 0.030 1 192 40 40 ILE C C 175.559 0.030 1 193 40 40 ILE CA C 64.611 0.030 1 194 40 40 ILE N N 114.14 0.030 1 195 41 41 LYS H H 7.028 0.030 1 196 41 41 LYS HA H 4.271 0.030 1 197 41 41 LYS C C 178.510 0.030 1 198 41 41 LYS CA C 57.162 0.030 1 199 41 41 LYS CB C 33.359 0.030 1 200 41 41 LYS N N 118.14 0.030 1 201 42 42 LEU H H 7.099 0.030 1 202 42 42 LEU HA H 4.112 0.030 1 203 42 42 LEU C C 177.182 0.030 1 204 42 42 LEU CA C 57.492 0.030 1 205 42 42 LEU CB C 42.599 0.030 1 206 42 42 LEU N N 117.89 0.030 1 207 43 43 ASP H H 9.411 0.030 1 208 43 43 ASP HA H 4.894 0.030 1 209 43 43 ASP C C 174.689 0.030 1 210 43 43 ASP CA C 53.196 0.030 1 211 43 43 ASP CB C 41.001 0.030 1 212 43 43 ASP N N 121.14 0.030 1 213 44 44 GLU H H 8.965 0.030 1 214 44 44 GLU HA H 3.807 0.030 1 215 44 44 GLU C C 175.161 0.030 1 216 44 44 GLU CA C 57.125 0.030 1 217 44 44 GLU CB C 28.01 0.030 1 218 44 44 GLU N N 114.14 0.030 1 219 45 45 GLY H H 7.504 0.030 1 220 45 45 GLY HA2 H 3.78 0.030 2 221 45 45 GLY HA3 H 3.78 0.030 2 222 45 45 GLY C C 173.774 0.030 1 223 45 45 GLY CA C 45.705 0.030 1 224 45 45 GLY N N 106.89 0.030 1 225 46 46 TRP H H 7.691 0.030 1 226 46 46 TRP HA H 4.523 0.030 1 227 46 46 TRP C C 177.669 0.030 1 228 46 46 TRP CA C 57.314 0.030 1 229 46 46 TRP CB C 30.302 0.030 1 230 46 46 TRP N N 117.89 0.030 1 231 47 47 VAL H H 10.158 0.030 1 232 47 47 VAL HA H 4.801 0.030 1 233 47 47 VAL CA C 59.438 0.030 1 234 47 47 VAL N N 125.64 0.030 1 235 48 48 PRO C C 178.937 0.030 1 236 49 49 LEU H H 8.892 0.030 1 237 49 49 LEU HA H 3.714 0.030 1 238 49 49 LEU C C 177.89 0.030 1 239 49 49 LEU CA C 58.04 0.030 1 240 49 49 LEU CB C 39.889 0.030 1 241 49 49 LEU N N 127.14 0.030 1 242 50 50 GLU H H 8.825 0.030 1 243 50 50 GLU HA H 4.13 0.030 1 244 50 50 GLU C C 177.477 0.030 1 245 50 50 GLU CA C 59.475 0.030 1 246 50 50 GLU CB C 29.816 0.030 1 247 50 50 GLU N N 116.64 0.030 1 248 51 51 ILE H H 7.107 0.030 1 249 51 51 ILE HA H 3.979 0.030 1 250 51 51 ILE C C 177.993 0.030 1 251 51 51 ILE CA C 62.076 0.030 1 252 51 51 ILE CB C 36.833 0.030 1 253 51 51 ILE N N 116.64 0.030 1 254 52 52 MET H H 7.421 0.030 1 255 52 52 MET HA H 4.375 0.030 1 256 52 52 MET C C 178.5 0.030 1 257 52 52 MET CA C 55.349 0.030 1 258 52 52 MET CB C 28.705 0.030 1 259 52 52 MET N N 117.39 0.030 1 260 53 53 ILE H H 8.088 0.030 1 261 53 53 ILE HA H 4.244 0.030 1 262 53 53 ILE C C 176.253 0.030 1 263 53 53 ILE CA C 62.899 0.030 1 264 53 53 ILE CB C 38.5 0.030 1 265 53 53 ILE N N 109.64 0.030 1 266 54 54 LYS H H 7.662 0.030 1 267 54 54 LYS HA H 4.231 0.030 1 268 54 54 LYS C C 174.881 0.030 1 269 54 54 LYS CA C 56.47 0.030 1 270 54 54 LYS CB C 27.385 0.030 1 271 54 54 LYS N N 120.39 0.030 1 272 55 55 PHE H H 7.901 0.030 1 273 55 55 PHE CA C 56.694 0.030 1 274 55 55 PHE N N 120.14 0.030 1 275 57 57 ARG C C 177.447 0.030 1 276 58 58 LEU H H 7.532 0.030 1 277 58 58 LEU C C 177.3 0.030 1 278 58 58 LEU CA C 56.233 0.030 1 279 58 58 LEU CB C 43.71 0.030 1 280 58 58 LEU N N 115.64 0.030 1 281 59 59 ASN H H 8.561 0.030 1 282 59 59 ASN HA H 4.589 0.030 1 283 59 59 ASN C C 176.961 0.030 1 284 59 59 ASN CA C 55.557 0.030 1 285 59 59 ASN N N 116.89 0.030 1 286 60 60 ARG H H 7.661 0.030 1 287 60 60 ARG HA H 4.218 0.030 1 288 60 60 ARG C C 177.064 0.030 1 289 60 60 ARG CA C 57.179 0.030 1 290 60 60 ARG CB C 29.955 0.030 1 291 60 60 ARG N N 115.64 0.030 1 292 61 61 LEU H H 7.962 0.030 1 293 61 61 LEU HA H 4.35 0.030 1 294 61 61 LEU CA C 56.156 0.030 1 295 61 61 LEU CB C 42.112 0.030 1 296 61 61 LEU N N 120.14 0.030 1 297 62 62 THR H H 7.882 0.030 1 298 62 62 THR HA H 4.549 0.030 1 299 62 62 THR C C 170.278 0.030 1 300 62 62 THR CA C 61.851 0.030 1 301 62 62 THR CB C 67.608 0.030 1 302 62 62 THR N N 111.64 0.030 1 303 63 63 THR H H 7.912 0.030 1 304 63 63 THR HA H 4.549 0.030 1 305 63 63 THR C C 173.125 0.030 1 306 63 63 THR CA C 60.327 0.030 1 307 63 63 THR CB C 69.136 0.030 1 308 63 63 THR N N 110.64 0.030 1 309 64 64 ASP H H 8.729 0.030 1 310 64 64 ASP HA H 4.576 0.030 1 311 64 64 ASP C C 176.916 0.030 1 312 64 64 ASP CA C 53.51 0.030 1 313 64 64 ASP CB C 42.182 0.030 1 314 64 64 ASP N N 124.89 0.030 1 315 65 65 PHE H H 8.98 0.030 1 316 65 65 PHE HA H 4.284 0.030 1 317 65 65 PHE C C 177.949 0.030 1 318 65 65 PHE CA C 58.578 0.030 1 319 65 65 PHE CB C 37.597 0.030 1 320 65 65 PHE N N 126.64 0.030 1 321 66 66 ASN H H 8.495 0.030 1 322 66 66 ASN HA H 4.47 0.030 1 323 66 66 ASN C C 178.023 0.030 1 324 66 66 ASN CA C 56.515 0.030 1 325 66 66 ASN CB C 38.222 0.030 1 326 66 66 ASN N N 115.89 0.030 1 327 67 67 VAL H H 7.521 0.030 1 328 67 67 VAL HA H 3.701 0.030 1 329 67 67 VAL C C 178.318 0.030 1 330 67 67 VAL CA C 65.753 0.030 1 331 67 67 VAL CB C 31.831 0.030 1 332 67 67 VAL N N 121.64 0.030 1 333 68 68 ILE H H 7.694 0.030 1 334 68 68 ILE HA H 3.582 0.030 1 335 68 68 ILE C C 177.02 0.030 1 336 68 68 ILE CA C 66.425 0.030 1 337 68 68 ILE CB C 37.875 0.030 1 338 68 68 ILE N N 118.64 0.030 1 339 69 69 VAL H H 8.322 0.030 1 340 69 69 VAL HA H 3.582 0.030 1 341 69 69 VAL C C 176.063 0.030 1 342 69 69 VAL CB C 31.30 0.030 1 343 69 69 VAL N N 116.64 0.030 1 344 70 70 GLU H H 8.258 0.030 1 345 70 70 GLU CA C 59.609 0.030 1 346 70 70 GLU N N 122.39 0.030 1 347 71 71 ALA HA H 3.833 0.030 1 348 71 71 ALA C C 180.073 0.030 1 349 71 71 ALA CA C 55.798 0.030 1 350 71 71 ALA CB C 18.979 0.030 1 351 72 72 LEU H H 8.264 0.030 1 352 72 72 LEU HA H 4.032 0.030 1 353 72 72 LEU C C 180.339 0.030 1 354 72 72 LEU CA C 57.134 0.030 1 355 72 72 LEU CB C 42.738 0.030 1 356 72 72 LEU N N 115.89 0.030 1 357 73 73 SER H H 8.404 0.030 1 358 73 73 SER HA H 4.284 0.030 1 359 73 73 SER C C 174.925 0.030 1 360 73 73 SER CA C 61.233 0.030 1 361 73 73 SER CB C 63.092 0.030 1 362 73 73 SER N N 115.89 0.030 1 363 74 74 LYS H H 7.213 0.030 1 364 74 74 LYS HA H 4.417 0.030 1 365 74 74 LYS C C 176.725 0.030 1 366 74 74 LYS CA C 55.977 0.030 1 367 74 74 LYS CB C 33.429 0.030 1 368 74 74 LYS N N 119.14 0.030 1 369 75 75 SER H H 7.252 0.030 1 370 75 75 SER HA H 4.801 0.030 1 371 75 75 SER C C 177.211 0.030 1 372 75 75 SER CA C 58.443 0.030 1 373 75 75 SER CB C 63.717 0.030 1 374 75 75 SER N N 113.89 0.030 1 375 76 76 LYS H H 9.207 0.030 1 376 76 76 LYS HA H 4.509 0.030 1 377 76 76 LYS C C 177.329 0.030 1 378 76 76 LYS CA C 55.977 0.030 1 379 76 76 LYS CB C 31.97 0.030 1 380 76 76 LYS N N 127.39 0.030 1 381 77 77 ALA H H 8.42 0.030 1 382 77 77 ALA HA H 4.112 0.030 1 383 77 77 ALA C C 177.846 0.030 1 384 77 77 ALA CA C 53.959 0.030 1 385 77 77 ALA CB C 18.701 0.030 1 386 77 77 ALA N N 122.39 0.030 1 387 78 78 GLU H H 7.982 0.030 1 388 78 78 GLU HA H 3.955 0.030 1 389 78 78 GLU CA C 56.548 0.030 1 390 78 78 GLU CB C 27.43 0.030 1 391 78 78 GLU N N 111.14 0.030 1 392 79 79 LEU HA H 4.324 0.030 1 393 79 79 LEU C C 175.692 0.030 1 394 80 80 MET H H 8.063 0.030 1 395 80 80 MET HA H 5.252 0.030 1 396 80 80 MET C C 177.171 0.030 1 397 80 80 MET CA C 51.403 0.030 1 398 80 80 MET CB C 30.58 0.030 1 399 80 80 MET N N 112.14 0.030 1 400 81 81 GLU H H 9.407 0.030 1 401 81 81 GLU HA H 4.629 0.030 1 402 81 81 GLU C C 174.6 0.030 1 403 81 81 GLU CA C 54.452 0.030 1 404 81 81 GLU CB C 33.568 0.030 1 405 81 81 GLU N N 121.14 0.030 1 406 82 82 ILE H H 8.701 0.030 1 407 82 82 ILE HA H 4.807 0.030 1 408 82 82 ILE C C 177.197 0.030 1 409 82 82 ILE CA C 60.192 0.030 1 410 82 82 ILE CB C 40.792 0.030 1 411 82 82 ILE N N 121.89 0.030 1 412 83 83 SER H H 8.593 0.030 1 413 83 83 SER HA H 3.712 0.030 1 414 83 83 SER C C 176.474 0.030 1 415 83 83 SER CA C 60.062 0.030 1 416 83 83 SER CB C 63.092 0.030 1 417 83 83 SER N N 124.39 0.030 1 418 84 84 GLU H H 8.866 0.030 1 419 84 84 GLU HA H 3.992 0.030 1 420 84 84 GLU C C 177.831 0.030 1 421 84 84 GLU CA C 59.789 0.030 1 422 84 84 GLU CB C 29.26 0.030 1 423 84 84 GLU N N 123.89 0.030 1 424 85 85 ASP H H 8.058 0.030 1 425 85 85 ASP HA H 4.43 0.030 1 426 85 85 ASP C C 175.53 0.030 1 427 85 85 ASP CA C 52.927 0.030 1 428 85 85 ASP CB C 39.959 0.030 1 429 85 85 ASP N N 114.14 0.030 1 430 86 86 LYS H H 8.018 0.030 1 431 86 86 LYS HA H 3.582 0.030 1 432 86 86 LYS C C 175.131 0.030 1 433 86 86 LYS CA C 57.546 0.030 1 434 86 86 LYS CB C 29.26 0.030 1 435 86 86 LYS N N 112.89 0.030 1 436 87 87 THR H H 7.569 0.030 1 437 87 87 THR HA H 4.205 0.030 1 438 87 87 THR CA C 61.896 0.030 1 439 87 87 THR CB C 71.081 0.030 1 440 87 87 THR N N 102.89 0.030 1 441 88 88 LYS H H 7.919 0.030 1 442 88 88 LYS HA H 5.079 0.030 1 443 88 88 LYS C C 173.523 0.030 1 444 88 88 LYS CA C 54.856 0.030 1 445 88 88 LYS CB C 36.833 0.030 1 446 88 88 LYS N N 121.14 0.030 1 447 89 89 ILE H H 8.437 0.030 1 448 89 89 ILE HA H 5.782 0.030 1 449 89 89 ILE C C 173.919 0.030 1 450 89 89 ILE CA C 58.802 0.030 1 451 89 89 ILE CB C 42.738 0.030 1 452 89 89 ILE N N 112.14 0.030 1 453 90 90 ARG H H 8.504 0.030 1 454 90 90 ARG HA H 4.403 0.030 1 455 90 90 ARG C C 173.7 0.030 1 456 90 90 ARG CA C 54.138 0.030 1 457 90 90 ARG CB C 34.262 0.030 1 458 90 90 ARG N N 115.64 0.030 1 459 91 91 ARG H H 9.24 0.030 1 460 91 91 ARG HA H 4.483 0.030 1 461 91 91 ARG C C 176.238 0.030 1 462 91 91 ARG CA C 56.022 0.030 1 463 91 91 ARG N N 124.39 0.030 1 464 92 92 SER H H 9.277 0.030 1 465 92 92 SER HA H 4.814 0.030 1 466 92 92 SER CA C 56.246 0.030 1 467 92 92 SER N N 122.64 0.030 1 468 93 93 PRO CA C 63.959 0.030 1 469 93 93 PRO CB C 31.831 0.030 1 470 94 94 SER H H 7.807 0.030 1 471 94 94 SER HA H 4.337 0.030 1 472 94 94 SER C C 173.332 0.030 1 473 94 94 SER CA C 59.071 0.030 1 474 94 94 SER CB C 63.023 0.030 1 475 94 94 SER N N 110.936 0.030 1 476 95 95 LYS H H 7.615 0.030 1 477 95 95 LYS HA H 4.867 0.030 1 478 95 95 LYS CA C 52.524 0.030 1 479 96 96 PRO C C 177.211 0.030 1 480 96 96 PRO CA C 62.928 0.030 1 481 96 96 PRO CB C 32.387 0.030 1 482 97 97 LEU H H 8.603 0.030 1 483 97 97 LEU HA H 4.377 0.030 1 484 97 97 LEU CA C 53.286 0.030 1 485 97 97 LEU CB C 41.765 0.030 1 486 97 97 LEU N N 124.39 0.030 1 487 98 98 PRO C C 176.517 0.030 1 488 98 98 PRO CA C 62.838 0.030 1 489 99 99 GLU H H 8.433 0.030 1 490 99 99 GLU HA H 4.218 0.030 1 491 99 99 GLU C C 176.666 0.030 1 492 99 99 GLU CA C 56.425 0.030 1 493 99 99 GLU CB C 30.233 0.030 1 494 99 99 GLU N N 121.14 0.030 1 495 100 100 VAL H H 8.284 0.030 1 496 100 100 VAL HA H 4.205 0.030 1 497 100 100 VAL C C 176.179 0.030 1 498 100 100 VAL CA C 62.21 0.030 1 499 100 100 VAL CB C 32.664 0.030 1 500 100 100 VAL N N 121.64 0.030 1 501 101 101 THR H H 8.176 0.030 1 502 101 101 THR HA H 4.39 0.030 1 503 101 101 THR C C 174.527 0.030 1 504 101 101 THR CA C 61.368 0.030 1 505 101 101 THR CB C 70.248 0.030 1 506 101 101 THR N N 117.39 0.030 1 507 102 102 ASP H H 8.459 0.030 1 508 102 102 ASP HA H 4.496 0.030 1 509 102 102 ASP C C 174.836 0.030 1 510 102 102 ASP CA C 55.016 0.030 1 511 102 102 ASP CB C 41.001 0.030 1 512 102 102 ASP N N 122.39 0.030 1 513 103 103 GLU H H 8.436 0.030 1 514 103 103 GLU HA H 4.112 0.030 1 515 103 103 GLU C C 177.211 0.030 1 516 103 103 GLU CA C 62.921 0.030 1 517 103 103 GLU CB C 32.387 0.030 1 518 103 103 GLU N N 120.89 0.030 1 519 104 104 TYR H H 8.599 0.030 1 520 104 104 TYR HA H 4.417 0.030 1 521 104 104 TYR C C 175.854 0.030 1 522 104 104 TYR CA C 60.079 0.030 1 523 104 104 TYR N N 124.14 0.030 1 524 105 105 LYS H H 8.399 0.030 1 525 105 105 LYS C C 176.474 0.030 1 526 105 105 LYS CA C 54.49 0.030 1 527 105 105 LYS CB C 38.361 0.030 1 528 105 105 LYS N N 123.89 0.030 1 529 106 106 ASN H H 8.541 0.030 1 530 106 106 ASN HA H 4.7 0.030 1 531 106 106 ASN CA C 58.911 0.030 1 532 106 106 ASN N N 121.64 0.030 1 533 107 107 ASP H H 8.218 0.030 1 534 107 107 ASP HA H 4.536 0.030 1 535 107 107 ASP C C 177.477 0.030 1 536 107 107 ASP CA C 55.252 0.030 1 537 107 107 ASP CB C 41.487 0.030 1 538 107 107 ASP N N 121.14 0.030 1 539 108 108 VAL H H 8.137 0.030 1 540 108 108 VAL HA H 3.847 0.030 1 541 108 108 VAL C C 175.987 0.030 1 542 108 108 VAL CA C 64.836 0.030 1 543 108 108 VAL CB C 31.9 0.030 1 544 108 108 VAL N N 121.14 0.030 1 545 109 109 LYS H H 8.622 0.030 1 546 109 109 LYS C C 178.495 0.030 1 547 109 109 LYS CA C 59.328 0.030 1 548 109 109 LYS CB C 31.761 0.030 1 549 109 109 LYS N N 124.39 0.030 1 550 110 110 ASN H H 7.918 0.030 1 551 110 110 ASN HA H 4.615 0.030 1 552 110 110 ASN C C 174.01 0.030 1 553 110 110 ASN CA C 54.481 0.030 1 554 110 110 ASN CB C 38.639 0.030 1 555 110 110 ASN N N 115.64 0.030 1 556 111 111 ARG H H 7.669 0.030 1 557 111 111 ARG HA H 4.764 0.030 1 558 111 111 ARG C C 174.321 0.030 1 559 111 111 ARG CA C 54.738 0.030 1 560 111 111 ARG CB C 30.789 0.030 1 561 111 111 ARG N N 114.39 0.030 1 562 112 112 SER H H 7.602 0.030 1 563 112 112 SER HA H 5.861 0.030 1 564 112 112 SER C C 173.435 0.030 1 565 112 112 SER CA C 58.263 0.030 1 566 112 112 SER N N 115.39 0.030 1 567 113 113 VAL H H 9.705 0.030 1 568 113 113 VAL HA H 4.746 0.030 1 569 113 113 VAL C C 173.155 0.030 1 570 113 113 VAL CA C 61.605 0.030 1 571 113 113 VAL N N 124.64 0.030 1 572 114 114 TYR H H 9.874 0.030 1 573 114 114 TYR HA H 5.437 0.030 1 574 114 114 TYR C C 173.287 0.030 1 575 114 114 TYR CA C 56.023 0.030 1 576 114 114 TYR N N 128.64 0.030 1 577 115 115 ILE H H 8.075 0.030 1 578 115 115 ILE HA H 5 0.030 1 579 115 115 ILE C C 173.73 0.030 1 580 115 115 ILE CA C 59.732 0.030 1 581 115 115 ILE N N 124.14 0.030 1 582 116 116 LYS H H 9.054 0.030 1 583 116 116 LYS HA H 4.483 0.030 1 584 116 116 LYS CA C 54.738 0.030 1 585 116 116 LYS N N 126.64 0.030 1 586 119 119 PRO C C 178.111 0.030 1 587 120 120 THR H H 8.593 0.030 1 588 120 120 THR C C 174.6 0.030 1 589 120 120 THR CA C 64.773 0.030 1 590 120 120 THR N N 111.64 0.030 1 591 121 121 ASP H H 8.244 0.030 1 592 121 121 ASP CA C 52.62 0.030 1 593 121 121 ASP N N 117.39 0.030 1 594 122 122 ALA H H 7.701 0.030 1 595 122 122 ALA HA H 4.47 0.030 1 596 122 122 ALA C C 176.459 0.030 1 597 122 122 ALA CA C 52.772 0.030 1 598 122 122 ALA CB C 18.77 0.030 1 599 122 122 ALA N N 124.14 0.030 1 600 123 123 THR H H 8.533 0.030 1 601 123 123 THR HA H 4.337 0.030 1 602 123 123 THR C C 175.19 0.030 1 603 123 123 THR CA C 59.116 0.030 1 604 123 123 THR CB C 71.915 0.030 1 605 123 123 THR N N 111.14 0.030 1 606 124 124 LEU H H 8.631 0.030 1 607 124 124 LEU C C 178.48 0.030 1 608 124 124 LEU CA C 58.085 0.030 1 609 124 124 LEU CB C 40.306 0.030 1 610 124 124 LEU N N 121.39 0.030 1 611 125 125 ASP H H 7.861 0.030 1 612 125 125 ASP HA H 4.311 0.030 1 613 125 125 ASP C C 178.554 0.030 1 614 125 125 ASP CA C 57.855 0.030 1 615 125 125 ASP CB C 40.376 0.030 1 616 125 125 ASP N N 116.14 0.030 1 617 126 126 ASP H H 7.745 0.030 1 618 126 126 ASP HA H 4.364 0.030 1 619 126 126 ASP C C 179.424 0.030 1 620 126 126 ASP CA C 57.626 0.030 1 621 126 126 ASP CB C 40.167 0.030 1 622 126 126 ASP N N 121.39 0.030 1 623 127 127 ILE H H 7.824 0.030 1 624 127 127 ILE C C 177.58 0.030 1 625 127 127 ILE CA C 65.422 0.030 1 626 127 127 ILE CB C 37.805 0.030 1 627 127 127 ILE N N 122.64 0.030 1 628 128 128 LYS H H 9.036 0.030 1 629 128 128 LYS HA H 3.754 0.030 1 630 128 128 LYS C C 179.439 0.030 1 631 128 128 LYS CA C 60.645 0.030 1 632 128 128 LYS CB C 32.664 0.030 1 633 128 128 LYS N N 120.39 0.030 1 634 129 129 GLU H H 8.058 0.030 1 635 129 129 GLU HA H 4.112 0.030 1 636 129 129 GLU C C 178.878 0.030 1 637 129 129 GLU CA C 59.328 0.030 1 638 129 129 GLU CB C 29.538 0.030 1 639 129 129 GLU N N 118.39 0.030 1 640 130 130 TRP H H 7.932 0.030 1 641 130 130 TRP HA H 4.337 0.030 1 642 130 130 TRP C C 177.713 0.030 1 643 130 130 TRP CA C 61.935 0.030 1 644 130 130 TRP N N 121.39 0.030 1 645 131 131 LEU H H 8.263 0.030 1 646 131 131 LEU HA H 3.767 0.030 1 647 131 131 LEU C C 178.524 0.030 1 648 131 131 LEU CA C 56.501 0.030 1 649 131 131 LEU CB C 43.224 0.030 1 650 131 131 LEU N N 116.64 0.030 1 651 132 132 GLU H H 7.544 0.030 1 652 132 132 GLU HA H 4.059 0.030 1 653 132 132 GLU C C 177.211 0.030 1 654 132 132 GLU CA C 59.769 0.030 1 655 132 132 GLU CB C 29.816 0.030 1 656 132 132 GLU N N 119.39 0.030 1 657 133 133 ASP H H 7.798 0.030 1 658 133 133 ASP HA H 4.682 0.030 1 659 133 133 ASP C C 176.828 0.030 1 660 133 133 ASP CA C 53.747 0.030 1 661 133 133 ASP CB C 40.306 0.030 1 662 133 133 ASP N N 114.39 0.030 1 663 134 134 LYS H H 7.913 0.030 1 664 134 134 LYS HA H 4.39 0.030 1 665 134 134 LYS C C 175.598 0.030 1 666 134 134 LYS CA C 55.142 0.030 1 667 134 134 LYS CB C 31.9 0.030 1 668 134 134 LYS N N 117.89 0.030 1 669 135 135 GLY H H 7.628 0.030 1 670 135 135 GLY HA2 H 3.807 0.030 2 671 135 135 GLY HA3 H 3.807 0.030 2 672 135 135 GLY C C 171.613 0.030 1 673 135 135 GLY CA C 44.126 0.030 1 674 135 135 GLY N N 106.14 0.030 1 675 136 136 GLN H H 8.572 0.030 1 676 136 136 GLN HA H 4.377 0.030 1 677 136 136 GLN C C 174.335 0.030 1 678 136 136 GLN CA C 55.986 0.030 1 679 136 136 GLN CB C 28.079 0.030 1 680 136 136 GLN N N 119.64 0.030 1 681 137 137 VAL H H 8.011 0.030 1 682 137 137 VAL HA H 3.926 0.030 1 683 137 137 VAL C C 176.223 0.030 1 684 137 137 VAL CA C 61.788 0.030 1 685 137 137 VAL N N 124.64 0.030 1 686 138 138 LEU H H 8.995 0.030 1 687 138 138 LEU HA H 4.39 0.030 1 688 138 138 LEU C C 176.887 0.030 1 689 138 138 LEU CA C 54.922 0.030 1 690 138 138 LEU CB C 43.224 0.030 1 691 138 138 LEU N N 125.14 0.030 1 692 139 139 ASN H H 7.216 0.030 1 693 139 139 ASN HA H 4.775 0.030 1 694 139 139 ASN C C 172.432 0.030 1 695 139 139 ASN CA C 53.71 0.030 1 696 139 139 ASN CB C 42.39 0.030 1 697 139 139 ASN N N 114.39 0.030 1 698 140 140 ILE H H 8.248 0.030 1 699 140 140 ILE HA H 4.443 0.030 1 700 140 140 ILE C C 174.128 0.030 1 701 140 140 ILE CA C 60.87 0.030 1 702 140 140 ILE CB C 41.487 0.030 1 703 140 140 ILE N N 123.14 0.030 1 704 141 141 GLN H H 9.175 0.030 1 705 141 141 GLN C C 175.5 0.030 1 706 141 141 GLN CA C 53.93 0.030 1 707 141 141 GLN CB C 31.136 0.030 1 708 141 141 GLN N N 126.64 0.030 1 709 142 142 MET H H 9.051 0.030 1 710 142 142 MET C C 175.338 0.030 1 711 142 142 MET CA C 55.95 0.030 1 712 142 142 MET N N 125.14 0.030 1 713 143 143 ARG H H 8.309 0.030 1 714 143 143 ARG C C 176.105 0.030 1 715 143 143 ARG CA C 57.529 0.030 1 716 143 143 ARG N N 125.14 0.030 1 717 144 144 ARG H H 8.796 0.030 1 718 144 144 ARG CA C 54.371 0.030 1 719 144 144 ARG N N 122.14 0.030 1 720 147 147 HIS C C 173.742 0.030 1 721 148 148 LYS H H 8.065 0.030 1 722 148 148 LYS HA H 3.595 0.030 1 723 148 148 LYS C C 175.102 0.030 1 724 148 148 LYS CA C 57.989 0.030 1 725 148 148 LYS N N 112.89 0.030 1 726 149 149 ALA H H 8.155 0.030 1 727 149 149 ALA HA H 4.47 0.030 1 728 149 149 ALA CA C 54.026 0.030 1 729 149 149 ALA CB C 19.326 0.030 1 730 149 149 ALA N N 123.64 0.030 1 731 153 153 SER H H 6.835 0.030 1 732 153 153 SER C C 172.682 0.030 1 733 153 153 SER CA C 54.183 0.030 1 734 153 153 SER N N 111.64 0.030 1 735 154 154 ILE H H 8.719 0.030 1 736 154 154 ILE HA H 5.278 0.030 1 737 154 154 ILE C C 173.936 0.030 1 738 154 154 ILE CA C 58.41 0.030 1 739 154 154 ILE CB C 41.001 0.030 1 740 154 154 ILE N N 111.39 0.030 1 741 155 155 PHE H H 8.469 0.030 1 742 155 155 PHE HA H 6.127 0.030 1 743 155 155 PHE C C 176.076 0.030 1 744 155 155 PHE CA C 55.472 0.030 1 745 155 155 PHE N N 114.89 0.030 1 746 156 156 VAL H H 9.638 0.030 1 747 156 156 VAL HA H 5 0.030 1 748 156 156 VAL C C 173.818 0.030 1 749 156 156 VAL CA C 59.548 0.030 1 750 156 156 VAL CB C 35.096 0.030 1 751 156 156 VAL N N 120.14 0.030 1 752 157 157 VAL H H 8.134 0.030 1 753 157 157 VAL HA H 4.735 0.030 1 754 157 157 VAL C C 176.415 0.030 1 755 157 157 VAL CA C 61.421 0.030 1 756 157 157 VAL N N 124.64 0.030 1 757 158 158 PHE H H 8.889 0.030 1 758 158 158 PHE HA H 4.987 0.030 1 759 158 158 PHE C C 175.485 0.030 1 760 158 158 PHE CA C 58.667 0.030 1 761 158 158 PHE CB C 40.167 0.030 1 762 158 158 PHE N N 125.89 0.030 1 763 159 159 ASP H H 8.735 0.030 1 764 159 159 ASP HA H 4.244 0.030 1 765 159 159 ASP CA C 56.133 0.030 1 766 159 159 ASP CB C 40.653 0.030 1 767 159 159 ASP N N 118.39 0.030 1 768 160 160 SER C C 174.29 0.030 1 769 160 160 SER N N 118.39 0.030 1 770 161 161 ILE H H 9.099 0.030 1 771 161 161 ILE HA H 3.9 0.030 1 772 161 161 ILE C C 177.462 0.030 1 773 161 161 ILE CA C 64.836 0.030 1 774 161 161 ILE CB C 37.875 0.030 1 775 161 161 ILE N N 123.39 0.030 1 776 162 162 GLU H H 8.779 0.030 1 777 162 162 GLU HA H 3.979 0.030 1 778 162 162 GLU C C 179.528 0.030 1 779 162 162 GLU CA C 60.613 0.030 1 780 162 162 GLU CB C 28.774 0.030 1 781 162 162 GLU N N 120.39 0.030 1 782 163 163 SER H H 8.204 0.030 1 783 163 163 SER HA H 4.138 0.030 1 784 163 163 SER C C 176.607 0.030 1 785 163 163 SER CA C 61.201 0.030 1 786 163 163 SER CB C 62.814 0.030 1 787 163 163 SER N N 116.64 0.030 1 788 164 164 ALA H H 7.657 0.030 1 789 164 164 ALA HA H 3.038 0.030 1 790 164 164 ALA C C 177.743 0.030 1 791 164 164 ALA CA C 55.142 0.030 1 792 164 164 ALA CB C 18.84 0.030 1 793 164 164 ALA N N 124.89 0.030 1 794 165 165 LYS H H 8.825 0.030 1 795 165 165 LYS HA H 3.985 0.030 1 796 165 165 LYS C C 177.743 0.030 1 797 165 165 LYS CA C 60.283 0.030 1 798 165 165 LYS CB C 33.012 0.030 1 799 165 165 LYS N N 117.64 0.030 1 800 166 166 LYS H H 7.771 0.030 1 801 166 166 LYS HA H 3.992 0.030 1 802 166 166 LYS C C 178.613 0.030 1 803 166 166 LYS CA C 58.998 0.030 1 804 166 166 LYS CB C 32.387 0.030 1 805 166 166 LYS N N 117.14 0.030 1 806 167 167 PHE H H 7.414 0.030 1 807 167 167 PHE HA H 4.178 0.030 1 808 167 167 PHE C C 177.049 0.030 1 809 167 167 PHE CA C 61.495 0.030 1 810 167 167 PHE CB C 39.82 0.030 1 811 167 167 PHE N N 119.39 0.030 1 812 168 168 VAL H H 8.322 0.030 1 813 168 168 VAL HA H 3.21 0.030 1 814 168 168 VAL C C 178.875 0.030 1 815 168 168 VAL CA C 65.901 0.030 1 816 168 168 VAL CB C 31.831 0.030 1 817 168 168 VAL N N 118.39 0.030 1 818 169 169 GLU H H 8.067 0.030 1 819 169 169 GLU HA H 4.138 0.030 1 820 169 169 GLU C C 176.68 0.030 1 821 169 169 GLU CA C 56.647 0.030 1 822 169 169 GLU CB C 29.121 0.030 1 823 169 169 GLU N N 115.39 0.030 1 824 170 170 THR H H 7.234 0.030 1 825 170 170 THR HA H 4.47 0.030 1 826 170 170 THR CA C 61.458 0.030 1 827 170 170 THR CB C 69.483 0.030 1 828 170 170 THR N N 120.39 0.030 1 829 171 171 PRO HA H 4.655 0.030 1 830 171 171 PRO C C 177.669 0.030 1 831 171 171 PRO CA C 62.467 0.030 1 832 171 171 PRO CB C 32.664 0.030 1 833 172 172 GLY H H 8.68 0.030 1 834 172 172 GLY HA2 H 3.78 0.030 2 835 172 172 GLY HA3 H 3.78 0.030 2 836 172 172 GLY C C 175.618 0.030 1 837 172 172 GLY CA C 47.137 0.030 1 838 172 172 GLY N N 107.39 0.030 1 839 173 173 GLN H H 8.566 0.030 1 840 173 173 GLN HA H 4.417 0.030 1 841 173 173 GLN C C 175.928 0.030 1 842 173 173 GLN CA C 57.565 0.030 1 843 173 173 GLN CB C 30.094 0.030 1 844 173 173 GLN N N 119.14 0.030 1 845 174 174 LYS H H 8.673 0.030 1 846 174 174 LYS HA H 4.987 0.030 1 847 174 174 LYS CA C 55.179 0.030 1 848 174 174 LYS CB C 38.014 0.030 1 849 174 174 LYS N N 122.14 0.030 1 850 175 175 TYR H H 8.229 0.030 1 851 175 175 TYR HA H 4.43 0.030 1 852 175 175 TYR C C 174.497 0.030 1 853 175 175 TYR CA C 57.015 0.030 1 854 175 175 TYR CB C 40.306 0.030 1 855 175 175 TYR N N 121.39 0.030 1 856 176 176 LYS H H 9.241 0.030 1 857 176 176 LYS HA H 3.582 0.030 1 858 176 176 LYS C C 176.151 0.030 1 859 176 176 LYS CA C 58.447 0.030 1 860 176 176 LYS CB C 29.608 0.030 1 861 176 176 LYS N N 127.14 0.030 1 862 177 177 GLU H H 8.417 0.030 1 863 177 177 GLU HA H 4.098 0.030 1 864 177 177 GLU C C 176.105 0.030 1 865 177 177 GLU CA C 57.224 0.030 1 866 177 177 GLU CB C 28.844 0.030 1 867 177 177 GLU N N 115.14 0.030 1 868 178 178 THR H H 8.371 0.030 1 869 178 178 THR HA H 4.364 0.030 1 870 178 178 THR C C 173.376 0.030 1 871 178 178 THR CA C 62.633 0.030 1 872 178 178 THR CB C 70.248 0.030 1 873 178 178 THR N N 119.64 0.030 1 874 179 179 ASP H H 8.525 0.030 1 875 179 179 ASP HA H 4.443 0.030 1 876 179 179 ASP C C 175.058 0.030 1 877 179 179 ASP CA C 55.766 0.030 1 878 179 179 ASP CB C 41.348 0.030 1 879 179 179 ASP N N 126.14 0.030 1 880 180 180 LEU H H 7.623 0.030 1 881 180 180 LEU HA H 4.629 0.030 1 882 180 180 LEU C C 176.164 0.030 1 883 180 180 LEU CA C 53.122 0.030 1 884 180 180 LEU CB C 43.988 0.030 1 885 180 180 LEU N N 120.89 0.030 1 886 181 181 LEU H H 8.445 0.030 1 887 181 181 LEU HA H 4.629 0.030 1 888 181 181 LEU C C 174.453 0.030 1 889 181 181 LEU CA C 54.408 0.030 1 890 181 181 LEU CB C 43.641 0.030 1 891 181 181 LEU N N 125.39 0.030 1 892 182 182 ILE H H 8.437 0.030 1 893 182 182 ILE HA H 5.079 0.030 1 894 182 182 ILE C C 174.866 0.030 1 895 182 182 ILE CA C 60.577 0.030 1 896 182 182 ILE CB C 39.889 0.030 1 897 182 182 ILE N N 127.39 0.030 1 898 183 183 LEU H H 9.213 0.030 1 899 183 183 LEU HA H 5.053 0.030 1 900 183 183 LEU C C 177.3 0.030 1 901 183 183 LEU CA C 53.086 0.030 1 902 183 183 LEU N N 125.89 0.030 1 903 184 184 PHE H H 9.783 0.030 1 904 184 184 PHE C C 178.038 0.030 1 905 184 184 PHE CA C 62.266 0.030 1 906 184 184 PHE N N 121.14 0.030 1 907 185 185 LYS H H 9.099 0.030 1 908 185 185 LYS C C 177.3 0.030 1 909 185 185 LYS CA C 61.384 0.030 1 910 185 185 LYS CB C 33.359 0.030 1 911 185 185 LYS N N 124.89 0.030 1 912 186 186 ASP H H 9.54 0.030 1 913 186 186 ASP C C 178.628 0.030 1 914 186 186 ASP CA C 57.455 0.030 1 915 186 186 ASP CB C 41.557 0.030 1 916 186 186 ASP N N 116.64 0.030 1 917 187 187 ASP H H 7.28 0.030 1 918 187 187 ASP HA H 4.642 0.030 1 919 187 187 ASP C C 177.905 0.030 1 920 187 187 ASP CA C 56.611 0.030 1 921 187 187 ASP CB C 41.487 0.030 1 922 187 187 ASP N N 119.89 0.030 1 923 188 188 TYR H H 8.069 0.030 1 924 188 188 TYR HA H 3.86 0.030 1 925 188 188 TYR C C 176.607 0.030 1 926 188 188 TYR CA C 60.944 0.030 1 927 188 188 TYR CB C 39.959 0.030 1 928 188 188 TYR N N 120.64 0.030 1 929 189 189 PHE H H 7.924 0.030 1 930 189 189 PHE HA H 3.82 0.030 1 931 189 189 PHE C C 177.743 0.030 1 932 189 189 PHE CA C 60.737 0.030 1 933 189 189 PHE CB C 41.348 0.030 1 934 189 189 PHE N N 116.64 0.030 1 935 190 190 ALA H H 7.605 0.030 1 936 190 190 ALA HA H 4.191 0.030 1 937 190 190 ALA C C 170.805 0.030 1 938 190 190 ALA CA C 54.025 0.030 1 939 190 190 ALA CB C 18.562 0.030 1 940 190 190 ALA N N 120.64 0.030 1 941 191 191 LYS H H 7.541 0.030 1 942 191 191 LYS C C 177.152 0.030 1 943 191 191 LYS CA C 55.879 0.030 1 944 191 191 LYS CB C 33.081 0.030 1 945 191 191 LYS N N 117.39 0.030 1 946 192 192 LYS H H 7.438 0.030 1 947 192 192 LYS CA C 58.658 0.030 1 948 192 192 LYS CB C 32.526 0.030 1 949 192 192 LYS N N 121.89 0.030 1 950 193 193 ASN H H 8.37 0.030 1 951 193 193 ASN HA H 4.523 0.030 1 952 193 193 ASN C C 175.766 0.030 1 953 193 193 ASN CA C 54.427 0.030 1 954 193 193 ASN CB C 38.361 0.030 1 955 193 193 ASN N N 116.64 0.030 1 956 194 194 GLU H H 8.066 0.030 1 957 194 194 GLU HA H 4.297 0.030 1 958 194 194 GLU C C 177.241 0.030 1 959 194 194 GLU CA C 57.179 0.030 1 960 194 194 GLU CB C 30.65 0.030 1 961 194 194 GLU N N 119.14 0.030 1 962 195 195 VAL H H 7.889 0.030 1 963 195 195 VAL C C 176.076 0.030 1 964 195 195 VAL CA C 62.854 0.030 1 965 195 195 VAL CB C 32.942 0.030 1 966 195 195 VAL N N 116.89 0.030 1 967 196 196 ASP H H 8.269 0.030 1 968 196 196 ASP C C 175.264 0.030 1 969 196 196 ASP CA C 54.16 0.030 1 970 196 196 ASP CB C 41.487 0.030 1 971 196 196 ASP N N 122.39 0.030 1 972 197 197 SER H H 7.76 0.030 1 973 197 197 SER CA C 60.062 0.030 1 974 197 197 SER N N 121.14 0.030 1 stop_ save_