data_15528 save_entry_information _Saveframe_category entry_information _Entry_title "Solution structure of the protease-resistent domain of Xenopus ePABP2" loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song J. . . 2 Markley J. L. . stop_ _BMRB_accession_number 15528 _BMRB_flat_file_name bmr15528.str _Entry_type new _Submission_date 2007-10-16 _Accession_date 2007-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 460 "15N chemical shifts" 124 stop_ save_ save_citations _Saveframe_category entry_citation _Citation_title ? _Citation_status "in preparation" _Citation_type journal _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 McGivern Jered V. . 3 Markley John L. . 4 Sheets Michael D. . stop_ _Journal_abbreviation "To be published" _Journal_volume ? _Journal_issue ? _Journal_CSD ? _Page_first ? _Page_last ? _Year ? save_ save_assembly _Saveframe_category molecular_system _Mol_system_name ePABP2-trp loop_ _Mol_system_component_name _Mol_label "protease-resistent domain, chain 1" $ePABP2-trp "protease-resistent domain, chain 2" $ePABP2-trp stop_ _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no save_ save_ePABP2-trp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ePABP2-trp _Mol_thiol_state "all free" _Residue_count 124 _Mol_residue_sequence ; AIAPCMQTTHSKMTAGAYTE GPPQPLSAEEKKEIDKRSVY VGNVDYGSTAQDLEAHFSSC GSINRITILCDKFSGHPKGY AYIEFAERNSVDAAVAMDET VFRGRTIKVLPKRTNMPGIS STDR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ILE 3 ALA 4 PRO 5 CYS 6 MET 7 GLN 8 THR 9 THR 10 HIS 11 SER 12 LYS 13 MET 14 THR 15 ALA 16 GLY 17 ALA 18 TYR 19 THR 20 GLU 21 GLY 22 PRO 23 PRO 24 GLN 25 PRO 26 LEU 27 SER 28 ALA 29 GLU 30 GLU 31 LYS 32 LYS 33 GLU 34 ILE 35 ASP 36 LYS 37 ARG 38 SER 39 VAL 40 TYR 41 VAL 42 GLY 43 ASN 44 VAL 45 ASP 46 TYR 47 GLY 48 SER 49 THR 50 ALA 51 GLN 52 ASP 53 LEU 54 GLU 55 ALA 56 HIS 57 PHE 58 SER 59 SER 60 CYS 61 GLY 62 SER 63 ILE 64 ASN 65 ARG 66 ILE 67 THR 68 ILE 69 LEU 70 CYS 71 ASP 72 LYS 73 PHE 74 SER 75 GLY 76 HIS 77 PRO 78 LYS 79 GLY 80 TYR 81 ALA 82 TYR 83 ILE 84 GLU 85 PHE 86 ALA 87 GLU 88 ARG 89 ASN 90 SER 91 VAL 92 ASP 93 ALA 94 ALA 95 VAL 96 ALA 97 MET 98 ASP 99 GLU 100 THR 101 VAL 102 PHE 103 ARG 104 GLY 105 ARG 106 THR 107 ILE 108 LYS 109 VAL 110 LEU 111 PRO 112 LYS 113 ARG 114 THR 115 ASN 116 MET 117 PRO 118 GLY 119 ILE 120 SER 121 SER 122 THR 123 ASP 124 ARG stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ePABP2-trp "African clawed frog" 8355 Eukaryota Metazoa Xenopus Laevis stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ePABP2-trp "recombinant technology" ? Escherichia coli ? plasmid "PVP 56K" stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details "10 mM sodium acetate, 100 mM NaCl,90% H2O, 10% D2O,1.0 mM 13,15N-ePABP2-trp" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ePABP2-trp 1 mM "[U-100% 13C; U-100% 15N]" NaCl 100 mM "natural abundance" NaAc 10 mM "natural abundance" stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 10 mM sodium acetate, 100 mM NaCl,90% H2O,10% D2O,0.5 mM 13C,15N-ePABP2-trp, 0.5 mM Unlabeled ePABP2-trp ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ePABP2-trp 0.5 mM "[U-100% 13C; U-100% 15N]" $ePABP2-trp 0.5 mM "natural abundance" NaCl 100 mM "natural abundance" NaAc 10 mM "natural abundance" stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 5% PEG, 10 mM sodium acetate, 100 mM NaCl, 90% H2O, 10% D2O, 0.5 mM 15N-ePABP2-trp ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ePABP2-trp 0.5 mM "[U-100% 15N]" PEG 5 % "natural abundance" NaCl 100 mM "natural abundance" NaAc 10 mM "natural abundance" stop_ save_ save_Xplor-NIH _Saveframe_category software _Name Xplor-NIH _Version 2.17.0 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. ? ? stop_ loop_ _Task refinement stop_ save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker ? ? stop_ loop_ _Task collection stop_ save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 97.027.12.56 loop_ _Vendor _Address _Electronic_address "Delagio,F. et al." ? ? stop_ loop_ _Task processing stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address "Goddard,T.D. and Kneller,D.G." ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address "Bartels,C. et al" ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_Cyana _Saveframe_category software _Name Cyana _Version 2.1 loop_ _Vendor _Address _Electronic_address "Guntert,P. et al" ? ? stop_ loop_ _Task "structural calculation" stop_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 save_ save_1H,15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,15N-HSQC _Sample_label $sample_1 save_ save_1H,13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,13C-HSQC _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HCCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_1 save_ save_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_CCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_1 save_ save_HCCHTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample_1 save_ save_HBACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBACONH _Sample_label $sample_1 save_ save_13C-EDITED_1H,1H-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name "13C-EDITED 1H,1H-NOESY" _Sample_label $sample_1 save_ save_15C-EDITED_1H,1H-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name "15C-EDITED 1H,1H-NOESY" _Sample_label $sample_1 save_ save_13C,15N_filtered,_13C_EDITED_1H,1H-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name "13C,15N filtered, 13C EDITED 1H,1H-NOESY" _Sample_label $sample_2 save_ save_15N_IPAP_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name "15N IPAP HSQC" _Sample_label $sample_3 save_ save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units "ionic strength" 100 ? mM pH 5.0 ? pH pressure 1 ? atm temperature 308 ? K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units "ionic strength" 100 ? mM pH 5.0 ? pH pressure 1 ? atm temperature 302 ? K stop_ save_ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts 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 "protease-resistent domain, chain 1" 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 ALA HA H 4.178 0.05 1 2 1 1 ALA HB H 1.557 0.05 1 3 1 1 ALA C C 173.675 0.15 1 4 1 1 ALA CA C 51.784 0.15 1 5 1 1 ALA CB C 19.590 0.15 1 6 2 2 ILE H H 8.420 0.05 1 7 2 2 ILE HA H 4.219 0.05 1 8 2 2 ILE HB H 1.870 0.05 1 9 2 2 ILE C C 175.424 0.15 1 10 2 2 ILE CA C 61.022 0.15 1 11 2 2 ILE CB C 38.918 0.15 1 12 2 2 ILE N N 120.314 0.15 1 13 3 3 ALA H H 8.374 0.05 1 14 3 3 ALA CA C 50.509 0.15 1 15 3 3 ALA CB C 18.608 0.15 1 16 3 3 ALA N N 129.874 0.15 1 17 4 4 PRO HA H 4.446 0.05 1 18 4 4 PRO HB2 H 1.929 0.05 2 19 4 4 PRO HB3 H 2.349 0.05 2 20 4 4 PRO C C 176.949 0.15 1 21 4 4 PRO CA C 63.456 0.15 1 22 4 4 PRO CB C 32.203 0.15 1 23 5 5 CYS H H 8.347 0.05 1 24 5 5 CYS HA H 4.492 0.05 1 25 5 5 CYS HB2 H 3.000 0.05 1 26 5 5 CYS C C 174.805 0.15 1 27 5 5 CYS CA C 58.495 0.15 1 28 5 5 CYS CB C 27.957 0.15 1 29 5 5 CYS N N 118.477 0.15 1 30 6 6 MET H H 8.421 0.05 1 31 6 6 MET HA H 4.534 0.05 1 32 6 6 MET HB2 H 2.101 0.05 1 33 6 6 MET C C 176.132 0.15 1 34 6 6 MET CA C 55.629 0.15 1 35 6 6 MET CB C 33.048 0.15 1 36 6 6 MET N N 122.952 0.15 1 37 7 7 GLN H H 8.313 0.05 1 38 7 7 GLN HA H 4.435 0.05 1 39 7 7 GLN HB2 H 2.129 0.05 1 40 7 7 GLN C C 176.128 0.15 1 41 7 7 GLN CA C 56.109 0.15 1 42 7 7 GLN CB C 29.591 0.15 1 43 7 7 GLN N N 121.379 0.15 1 44 8 8 THR H H 8.195 0.05 1 45 8 8 THR HA H 4.406 0.05 1 46 8 8 THR HB H 4.264 0.05 1 47 8 8 THR C C 174.739 0.15 1 48 8 8 THR CA C 61.856 0.15 1 49 8 8 THR CB C 69.854 0.15 1 50 8 8 THR N N 115.096 0.15 1 51 9 9 THR H H 8.081 0.05 1 52 9 9 THR HA H 4.335 0.05 1 53 9 9 THR HB H 4.232 0.05 1 54 9 9 THR C C 174.407 0.15 1 55 9 9 THR CA C 61.896 0.15 1 56 9 9 THR CB C 69.811 0.15 1 57 9 9 THR N N 115.837 0.15 1 58 10 10 HIS H H 8.477 0.05 1 59 10 10 HIS HA H 4.788 0.05 2 60 10 10 HIS HB2 H 3.326 0.05 2 61 10 10 HIS HB3 H 3.203 0.05 1 62 10 10 HIS C C 174.571 0.15 1 63 10 10 HIS CA C 55.477 0.15 1 64 10 10 HIS CB C 29.291 0.15 1 65 10 10 HIS N N 120.606 0.15 1 66 11 11 SER H H 8.306 0.05 1 67 11 11 SER HA H 4.448 0.05 1 68 11 11 SER HB2 H 3.902 0.05 1 69 11 11 SER C C 174.512 0.15 1 70 11 11 SER CA C 58.557 0.15 1 71 11 11 SER CB C 63.943 0.15 1 72 11 11 SER N N 117.043 0.15 1 73 12 12 LYS H H 8.402 0.05 1 74 12 12 LYS HA H 4.359 0.05 1 75 12 12 LYS HB2 H 1.847 0.05 1 76 12 12 LYS HG2 H 1.450 0.05 1 77 12 12 LYS C C 176.592 0.15 1 78 12 12 LYS CA C 56.634 0.15 1 79 12 12 LYS CB C 33.127 0.15 1 80 12 12 LYS N N 123.023 0.15 1 81 13 13 MET H H 8.343 0.05 1 82 13 13 MET HA H 4.530 0.05 1 83 13 13 MET HB2 H 2.062 0.05 1 84 13 13 MET HG2 H 2.601 0.05 2 85 13 13 MET HG3 H 2.601 0.05 2 86 13 13 MET C C 176.373 0.15 1 87 13 13 MET CA C 55.680 0.15 1 88 13 13 MET CB C 32.925 0.15 1 89 13 13 MET N N 121.294 0.15 1 90 14 14 THR H H 8.068 0.05 1 91 14 14 THR HA H 4.333 0.05 1 92 14 14 THR HG2 H 1.221 0.05 1 93 14 14 THR C C 174.246 0.15 1 94 14 14 THR CA C 61.770 0.15 1 95 14 14 THR CB C 69.894 0.15 1 96 14 14 THR N N 115.254 0.15 1 97 15 15 ALA H H 8.289 0.05 1 98 15 15 ALA HA H 4.344 0.05 1 99 15 15 ALA HB H 1.450 0.05 1 100 15 15 ALA C C 178.080 0.15 1 101 15 15 ALA CA C 52.779 0.15 1 102 15 15 ALA CB C 19.286 0.15 1 103 15 15 ALA N N 126.372 0.15 1 104 16 16 GLY H H 8.291 0.05 1 105 16 16 GLY HA2 H 3.913 0.05 1 106 16 16 GLY C C 173.788 0.15 1 107 16 16 GLY CA C 45.298 0.15 1 108 16 16 GLY N N 108.095 0.15 1 109 17 17 ALA H H 8.000 0.05 1 110 17 17 ALA HA H 4.292 0.05 1 111 17 17 ALA HB H 1.293 0.05 1 112 17 17 ALA C C 177.366 0.15 1 113 17 17 ALA CA C 52.518 0.15 1 114 17 17 ALA CB C 19.577 0.15 1 115 17 17 ALA N N 123.370 0.15 1 116 18 18 TYR H H 8.135 0.05 1 117 18 18 TYR HA H 4.640 0.05 1 118 18 18 TYR HB2 H 3.059 0.05 2 119 18 18 TYR HB3 H 2.968 0.05 2 120 18 18 TYR HD2 H 7.097 0.05 1 121 18 18 TYR C C 176.031 0.15 1 122 18 18 TYR CA C 57.973 0.15 1 123 18 18 TYR CB C 38.661 0.15 1 124 18 18 TYR N N 119.212 0.15 1 125 19 19 THR H H 7.912 0.05 1 126 19 19 THR HA H 4.267 0.05 1 127 19 19 THR HB H 4.037 0.05 1 128 19 19 THR HG2 H 1.135 0.05 1 129 19 19 THR C C 173.995 0.15 1 130 19 19 THR CA C 61.848 0.15 1 131 19 19 THR CB C 69.756 0.15 1 132 19 19 THR N N 115.764 0.15 1 133 20 20 GLU H H 8.077 0.05 1 134 20 20 GLU HA H 4.301 0.05 1 135 20 20 GLU HB2 H 2.071 0.05 2 136 20 20 GLU HB3 H 1.903 0.05 2 137 20 20 GLU HG2 H 2.259 0.05 1 138 20 20 GLU C C 176.128 0.15 1 139 20 20 GLU CA C 56.312 0.15 1 140 20 20 GLU CB C 30.423 0.15 1 141 20 20 GLU CG C 36.037 0.15 1 142 20 20 GLU N N 122.553 0.15 1 143 21 21 GLY H H 7.966 0.05 1 144 21 21 GLY HA2 H 3.903 0.05 1 145 21 21 GLY CA C 44.257 0.15 1 146 21 21 GLY N N 109.544 0.15 1 147 22 22 PRO HA H 4.232 0.05 2 148 22 22 PRO HB2 H 1.938 0.05 2 149 22 22 PRO HB3 H 1.750 0.05 2 150 22 22 PRO HD2 H 3.084 0.05 2 151 22 22 PRO HD3 H 3.400 0.05 2 152 22 22 PRO HG2 H 1.663 0.05 2 153 22 22 PRO HG3 H 1.878 0.05 1 154 22 22 PRO CA C 61.109 0.15 1 155 22 22 PRO CB C 30.711 0.15 1 156 22 22 PRO CD C 49.305 0.15 1 157 22 22 PRO CG C 27.118 0.15 1 158 23 23 PRO HA H 4.363 0.05 1 159 23 23 PRO HB2 H 1.842 0.05 2 160 23 23 PRO HB3 H 2.193 0.05 2 161 23 23 PRO HD2 H 3.407 0.05 2 162 23 23 PRO HD3 H 3.419 0.05 2 163 23 23 PRO HG2 H 1.879 0.05 1 164 23 23 PRO C C 176.567 0.15 1 165 23 23 PRO CA C 62.733 0.15 1 166 23 23 PRO CB C 32.048 0.15 1 167 23 23 PRO CD C 50.256 0.15 1 168 23 23 PRO CG C 27.293 0.15 1 169 24 24 GLN H H 8.286 0.05 1 170 24 24 GLN HA H 4.479 0.05 1 171 24 24 GLN HB2 H 2.053 0.05 2 172 24 24 GLN HB3 H 1.873 0.05 2 173 24 24 GLN HE21 H 7.485 0.05 2 174 24 24 GLN HE22 H 6.787 0.05 2 175 24 24 GLN HG2 H 2.388 0.05 1 176 24 24 GLN CA C 53.763 0.15 1 177 24 24 GLN CB C 28.800 0.15 1 178 24 24 GLN CG C 33.561 0.15 1 179 24 24 GLN N N 121.215 0.15 1 180 24 24 GLN NE2 N 112.460 0.15 1 181 25 25 PRO HA H 4.389 0.05 1 182 25 25 PRO HB2 H 1.831 0.05 2 183 25 25 PRO HB3 H 2.244 0.05 2 184 25 25 PRO HD2 H 3.602 0.05 2 185 25 25 PRO HD3 H 3.733 0.05 2 186 25 25 PRO HG2 H 1.937 0.05 2 187 25 25 PRO HG3 H 1.992 0.05 2 188 25 25 PRO C C 176.707 0.15 1 189 25 25 PRO CA C 62.867 0.15 1 190 25 25 PRO CB C 32.174 0.15 1 191 25 25 PRO CD C 50.542 0.15 1 192 25 25 PRO CG C 27.564 0.15 1 193 26 26 LEU H H 8.244 0.05 1 194 26 26 LEU HA H 4.405 0.05 1 195 26 26 LEU HB2 H 1.465 0.05 2 196 26 26 LEU HB3 H 1.577 0.05 2 197 26 26 LEU HD1 H 0.820 0.05 2 198 26 26 LEU HD2 H 0.794 0.05 2 199 26 26 LEU HG H 1.704 0.05 1 200 26 26 LEU C C 177.517 0.15 1 201 26 26 LEU CA C 54.643 0.15 1 202 26 26 LEU CB C 43.618 0.15 1 203 26 26 LEU CD1 C 25.866 0.15 2 204 26 26 LEU CD2 C 23.511 0.15 2 205 26 26 LEU CG C 27.066 0.15 1 206 26 26 LEU N N 122.745 0.15 1 207 27 27 SER H H 8.758 0.05 1 208 27 27 SER HA H 4.474 0.05 1 209 27 27 SER HB2 H 4.033 0.05 2 210 27 27 SER HB3 H 4.340 0.05 2 211 27 27 SER C C 174.789 0.15 1 212 27 27 SER CA C 57.461 0.15 1 213 27 27 SER CB C 65.280 0.15 1 214 27 27 SER N N 117.967 0.15 1 215 28 28 ALA H H 8.841 0.05 1 216 28 28 ALA HA H 4.037 0.05 1 217 28 28 ALA HB H 1.471 0.05 1 218 28 28 ALA CA C 55.346 0.15 1 219 28 28 ALA CB C 18.347 0.15 1 220 28 28 ALA N N 124.144 0.15 1 221 29 29 GLU H H 8.565 0.05 1 222 29 29 GLU HA H 4.026 0.05 1 223 29 29 GLU HB2 H 2.023 0.05 1 224 29 29 GLU HG2 H 2.321 0.05 2 225 29 29 GLU HG3 H 2.409 0.05 2 226 29 29 GLU C C 178.877 0.15 1 227 29 29 GLU CA C 59.430 0.15 1 228 29 29 GLU CB C 29.244 0.15 1 229 29 29 GLU CG C 36.375 0.15 1 230 29 29 GLU N N 117.527 0.15 1 231 30 30 GLU H H 7.823 0.05 1 232 30 30 GLU HA H 4.054 0.05 1 233 30 30 GLU HB2 H 1.967 0.05 2 234 30 30 GLU HB3 H 2.202 0.05 2 235 30 30 GLU HG2 H 2.319 0.05 2 236 30 30 GLU HG3 H 2.281 0.05 2 237 30 30 GLU C C 179.191 0.15 1 238 30 30 GLU CA C 59.037 0.15 1 239 30 30 GLU CB C 30.102 0.15 1 240 30 30 GLU CG C 36.798 0.15 1 241 30 30 GLU N N 120.773 0.15 1 242 31 31 LYS H H 8.246 0.05 1 243 31 31 LYS HA H 3.844 0.05 1 244 31 31 LYS HB2 H 1.780 0.05 2 245 31 31 LYS HB3 H 1.863 0.05 2 246 31 31 LYS HD3 H 1.601 0.05 1 247 31 31 LYS HE2 H 2.892 0.05 1 248 31 31 LYS HG2 H 1.326 0.05 2 249 31 31 LYS HG3 H 1.512 0.05 2 250 31 31 LYS C C 177.968 0.15 1 251 31 31 LYS CA C 59.889 0.15 1 252 31 31 LYS CB C 32.350 0.15 1 253 31 31 LYS CD C 29.379 0.15 1 254 31 31 LYS CE C 42.083 0.15 1 255 31 31 LYS CG C 25.954 0.15 1 256 31 31 LYS N N 119.315 0.15 1 257 32 32 LYS H H 7.698 0.05 1 258 32 32 LYS HA H 4.043 0.05 1 259 32 32 LYS HB3 H 1.929 0.05 1 260 32 32 LYS HD2 H 1.727 0.05 2 261 32 32 LYS HD3 H 1.600 0.05 2 262 32 32 LYS HE2 H 2.969 0.05 2 263 32 32 LYS HE3 H 2.920 0.05 2 264 32 32 LYS HG2 H 1.610 0.05 2 265 32 32 LYS HG3 H 1.434 0.05 2 266 32 32 LYS C C 178.848 0.15 1 267 32 32 LYS CA C 59.479 0.15 1 268 32 32 LYS CB C 32.459 0.15 1 269 32 32 LYS CD C 29.597 0.15 1 270 32 32 LYS CE C 42.085 0.15 1 271 32 32 LYS CG C 25.292 0.15 1 272 32 32 LYS N N 118.195 0.15 1 273 33 33 GLU H H 7.512 0.05 1 274 33 33 GLU HA H 4.031 0.05 1 275 33 33 GLU HB2 H 2.116 0.05 2 276 33 33 GLU HB3 H 2.196 0.05 2 277 33 33 GLU HG2 H 2.415 0.05 2 278 33 33 GLU HG3 H 2.349 0.05 2 279 33 33 GLU C C 178.989 0.15 1 280 33 33 GLU CA C 59.157 0.15 1 281 33 33 GLU CB C 29.220 0.15 1 282 33 33 GLU CG C 35.981 0.15 1 283 33 33 GLU N N 118.459 0.15 1 284 34 34 ILE H H 7.912 0.05 1 285 34 34 ILE HA H 3.503 0.05 1 286 34 34 ILE HB H 1.796 0.05 1 287 34 34 ILE HD1 H 0.764 0.05 1 288 34 34 ILE HG12 H 1.009 0.05 1 289 34 34 ILE HG13 H 1.653 0.05 1 290 34 34 ILE HG2 H 0.741 0.05 1 291 34 34 ILE C C 180.639 0.15 1 292 34 34 ILE CA C 65.305 0.15 1 293 34 34 ILE CB C 38.540 0.15 1 294 34 34 ILE CD1 C 14.856 0.15 1 295 34 34 ILE CG1 C 29.648 0.15 1 296 34 34 ILE CG2 C 17.571 0.15 1 297 34 34 ILE N N 120.176 0.15 1 298 35 35 ASP H H 8.457 0.05 1 299 35 35 ASP HA H 4.145 0.05 1 300 35 35 ASP HB2 H 2.804 0.05 2 301 35 35 ASP HB3 H 2.428 0.05 2 302 35 35 ASP C C 178.790 0.15 1 303 35 35 ASP CA C 58.322 0.15 1 304 35 35 ASP CB C 39.538 0.15 1 305 35 35 ASP N N 123.589 0.15 1 306 36 36 LYS H H 7.573 0.05 1 307 36 36 LYS HA H 4.187 0.05 1 308 36 36 LYS HB2 H 2.012 0.05 2 309 36 36 LYS HB3 H 1.939 0.05 2 310 36 36 LYS HD2 H 1.733 0.05 1 311 36 36 LYS HE2 H 2.947 0.05 1 312 36 36 LYS HG2 H 1.741 0.05 2 313 36 36 LYS HG3 H 1.553 0.05 2 314 36 36 LYS C C 176.400 0.15 1 315 36 36 LYS CA C 58.656 0.15 1 316 36 36 LYS CB C 32.991 0.15 1 317 36 36 LYS CD C 29.670 0.15 1 318 36 36 LYS CE C 42.069 0.15 1 319 36 36 LYS CG C 25.877 0.15 1 320 36 36 LYS N N 117.506 0.15 1 321 37 37 ARG H H 7.397 0.05 1 322 37 37 ARG HA H 4.658 0.05 1 323 37 37 ARG HB2 H 2.270 0.05 2 324 37 37 ARG HB3 H 1.903 0.05 2 325 37 37 ARG HD2 H 3.172 0.05 1 326 37 37 ARG HG2 H 1.351 0.05 1 327 37 37 ARG HH11 H 6.616 0.05 4 328 37 37 ARG C C 174.361 0.15 1 329 37 37 ARG CA C 55.793 0.15 1 330 37 37 ARG CB C 31.260 0.15 1 331 37 37 ARG CD C 43.770 0.15 1 332 37 37 ARG CG C 29.473 0.15 1 333 37 37 ARG N N 115.182 0.15 1 334 38 38 SER H H 7.416 0.05 1 335 38 38 SER HA H 6.346 0.05 1 336 38 38 SER HB2 H 3.577 0.05 2 337 38 38 SER HB3 H 3.836 0.05 2 338 38 38 SER C C 173.807 0.15 1 339 38 38 SER CA C 57.574 0.15 1 340 38 38 SER CB C 67.003 0.15 1 341 38 38 SER N N 112.872 0.15 1 342 39 39 VAL H H 8.812 0.05 1 343 39 39 VAL HA H 5.117 0.05 1 344 39 39 VAL HB H 2.284 0.05 1 345 39 39 VAL HG1 H 0.994 0.05 2 346 39 39 VAL HG2 H 0.644 0.05 2 347 39 39 VAL C C 174.519 0.15 1 348 39 39 VAL CA C 59.085 0.15 1 349 39 39 VAL CB C 34.476 0.15 1 350 39 39 VAL CG1 C 24.145 0.15 2 351 39 39 VAL CG2 C 18.799 0.15 2 352 39 39 VAL N N 111.961 0.15 1 353 40 40 TYR H H 9.366 0.05 1 354 40 40 TYR HA H 5.108 0.05 1 355 40 40 TYR HB2 H 2.761 0.05 2 356 40 40 TYR HB3 H 3.047 0.05 2 357 40 40 TYR HD1 H 6.870 0.05 1 358 40 40 TYR HD2 H 6.870 0.05 1 359 40 40 TYR HE1 H 6.401 0.05 1 360 40 40 TYR HE2 H 6.401 0.05 1 361 40 40 TYR C C 172.976 0.15 1 362 40 40 TYR CA C 56.633 0.15 1 363 40 40 TYR CB C 41.058 0.15 1 364 40 40 TYR CD2 C 133.308 0.15 1 365 40 40 TYR CE2 C 117.769 0.15 1 366 40 40 TYR N N 123.743 0.15 1 367 41 41 VAL H H 8.734 0.05 1 368 41 41 VAL HA H 4.876 0.05 1 369 41 41 VAL HB H 1.636 0.05 1 370 41 41 VAL HG1 H 0.767 0.05 2 371 41 41 VAL HG2 H 0.520 0.05 2 372 41 41 VAL C C 174.651 0.15 1 373 41 41 VAL CA C 59.798 0.15 1 374 41 41 VAL CB C 33.329 0.15 1 375 41 41 VAL CG1 C 22.463 0.15 2 376 41 41 VAL CG2 C 21.266 0.15 2 377 41 41 VAL N N 127.436 0.15 1 378 42 42 GLY H H 9.669 0.05 1 379 42 42 GLY HA2 H 3.612 0.05 2 380 42 42 GLY HA3 H 4.392 0.05 2 381 42 42 GLY C C 173.639 0.15 1 382 42 42 GLY CA C 44.169 0.15 1 383 42 42 GLY N N 113.263 0.15 1 384 43 43 ASN H H 8.412 0.05 1 385 43 43 ASN HA H 4.510 0.05 1 386 43 43 ASN HB2 H 3.779 0.05 2 387 43 43 ASN HB3 H 2.650 0.05 2 388 43 43 ASN HD21 H 7.964 0.05 2 389 43 43 ASN HD22 H 6.941 0.05 2 390 43 43 ASN C C 174.364 0.15 1 391 43 43 ASN CA C 53.557 0.15 1 392 43 43 ASN CB C 37.283 0.15 1 393 43 43 ASN N N 115.451 0.15 1 394 43 43 ASN ND2 N 111.465 0.15 1 395 44 44 VAL H H 7.083 0.05 1 396 44 44 VAL HA H 3.975 0.05 1 397 44 44 VAL HB H 1.658 0.05 1 398 44 44 VAL HG1 H 0.622 0.05 2 399 44 44 VAL HG2 H 0.846 0.05 2 400 44 44 VAL C C 175.885 0.15 1 401 44 44 VAL CA C 61.614 0.15 1 402 44 44 VAL CB C 32.914 0.15 1 403 44 44 VAL CG1 C 21.851 0.15 2 404 44 44 VAL CG2 C 21.649 0.15 2 405 44 44 VAL N N 115.399 0.15 1 406 45 45 ASP H H 8.305 0.05 1 407 45 45 ASP HA H 4.467 0.05 1 408 45 45 ASP HB2 H 2.860 0.05 2 409 45 45 ASP HB3 H 2.394 0.05 2 410 45 45 ASP C C 177.205 0.15 1 411 45 45 ASP CA C 54.613 0.15 1 412 45 45 ASP CB C 43.657 0.15 1 413 45 45 ASP N N 124.440 0.15 1 414 46 46 TYR H H 8.715 0.05 1 415 46 46 TYR HA H 4.483 0.05 1 416 46 46 TYR HB2 H 3.154 0.05 2 417 46 46 TYR HB3 H 2.955 0.05 2 418 46 46 TYR HD1 H 7.030 0.05 1 419 46 46 TYR HD2 H 7.030 0.05 1 420 46 46 TYR HE1 H 6.677 0.05 1 421 46 46 TYR HE2 H 6.677 0.05 1 422 46 46 TYR C C 175.453 0.15 1 423 46 46 TYR CA C 59.464 0.15 1 424 46 46 TYR CB C 38.753 0.15 1 425 46 46 TYR CD2 C 132.946 0.15 1 426 46 46 TYR N N 125.588 0.15 1 427 47 47 GLY H H 8.387 0.05 1 428 47 47 GLY HA2 H 3.561 0.05 2 429 47 47 GLY HA3 H 4.348 0.05 2 430 47 47 GLY C C 173.578 0.15 1 431 47 47 GLY CA C 44.965 0.15 1 432 47 47 GLY N N 106.974 0.15 1 433 48 48 SER H H 7.417 0.05 1 434 48 48 SER HA H 4.428 0.05 1 435 48 48 SER HB2 H 3.752 0.05 1 436 48 48 SER C C 173.220 0.15 1 437 48 48 SER CA C 59.892 0.15 1 438 48 48 SER CB C 64.519 0.15 1 439 48 48 SER N N 115.423 0.15 1 440 49 49 THR H H 8.474 0.05 1 441 49 49 THR HA H 4.660 0.05 1 442 49 49 THR HB H 4.305 0.05 1 443 49 49 THR HG2 H 1.079 0.05 1 444 49 49 THR C C 175.940 0.15 1 445 49 49 THR CA C 58.831 0.15 1 446 49 49 THR CB C 72.585 0.15 1 447 49 49 THR CG2 C 22.904 0.15 1 448 49 49 THR N N 112.103 0.15 1 449 50 50 ALA H H 9.723 0.05 1 450 50 50 ALA HA H 3.923 0.05 1 451 50 50 ALA HB H 1.292 0.05 1 452 50 50 ALA C C 179.045 0.15 1 453 50 50 ALA CA C 55.643 0.15 1 454 50 50 ALA CB C 18.259 0.15 1 455 50 50 ALA N N 123.988 0.15 1 456 51 51 GLN H H 7.730 0.05 1 457 51 51 GLN HA H 3.940 0.05 1 458 51 51 GLN HB2 H 1.883 0.05 2 459 51 51 GLN HB3 H 1.554 0.05 2 460 51 51 GLN HE21 H 6.710 0.05 2 461 51 51 GLN HE22 H 7.395 0.05 2 462 51 51 GLN HG2 H 2.344 0.05 2 463 51 51 GLN HG3 H 2.280 0.05 2 464 51 51 GLN C C 178.215 0.15 1 465 51 51 GLN CA C 59.096 0.15 1 466 51 51 GLN CB C 28.508 0.15 1 467 51 51 GLN CG C 33.610 0.15 1 468 51 51 GLN N N 116.375 0.15 1 469 52 52 ASP H H 8.273 0.05 1 470 52 52 ASP HA H 4.587 0.05 1 471 52 52 ASP C C 179.837 0.15 1 472 52 52 ASP CA C 57.556 0.15 1 473 52 52 ASP CB C 41.057 0.15 1 474 52 52 ASP N N 120.755 0.15 1 475 53 53 LEU H H 7.855 0.05 1 476 53 53 LEU HA H 3.933 0.05 1 477 53 53 LEU HB2 H 1.302 0.05 2 478 53 53 LEU HB3 H 1.884 0.05 2 479 53 53 LEU HD1 H 0.592 0.05 2 480 53 53 LEU HD2 H 0.455 0.05 2 481 53 53 LEU HG H 1.646 0.05 1 482 53 53 LEU C C 178.463 0.15 1 483 53 53 LEU CA C 58.367 0.15 1 484 53 53 LEU CB C 42.646 0.15 1 485 53 53 LEU CD1 C 25.897 0.15 2 486 53 53 LEU CD2 C 24.231 0.15 2 487 53 53 LEU CG C 27.665 0.15 1 488 53 53 LEU N N 122.035 0.15 1 489 54 54 GLU H H 8.804 0.05 1 490 54 54 GLU HA H 3.745 0.05 1 491 54 54 GLU HB2 H 2.228 0.05 2 492 54 54 GLU HB3 H 2.084 0.05 2 493 54 54 GLU HG2 H 2.216 0.05 1 494 54 54 GLU C C 178.467 0.15 1 495 54 54 GLU CA C 59.833 0.15 1 496 54 54 GLU CB C 29.238 0.15 1 497 54 54 GLU CG C 36.291 0.15 1 498 54 54 GLU N N 120.472 0.15 1 499 55 55 ALA H H 8.098 0.05 1 500 55 55 ALA HA H 4.249 0.05 1 501 55 55 ALA HB H 1.655 0.05 1 502 55 55 ALA C C 180.711 0.15 1 503 55 55 ALA CA C 55.077 0.15 1 504 55 55 ALA CB C 18.164 0.15 1 505 55 55 ALA N N 119.302 0.15 1 506 56 56 HIS H H 7.927 0.05 1 507 56 56 HIS HA H 4.281 0.05 1 508 56 56 HIS HB2 H 2.875 0.05 2 509 56 56 HIS HB3 H 3.136 0.05 2 510 56 56 HIS HD2 H 5.328 0.05 1 511 56 56 HIS C C 176.342 0.15 1 512 56 56 HIS CA C 59.362 0.15 1 513 56 56 HIS CB C 31.200 0.15 1 514 56 56 HIS N N 117.016 0.15 1 515 57 57 PHE H H 7.811 0.05 1 516 57 57 PHE HA H 4.554 0.05 1 517 57 57 PHE HB2 H 2.761 0.05 2 518 57 57 PHE HB3 H 3.653 0.05 2 519 57 57 PHE HD1 H 7.674 0.05 1 520 57 57 PHE HD2 H 7.677 0.05 1 521 57 57 PHE HE1 H 7.066 0.05 1 522 57 57 PHE HZ H 6.936 0.05 1 523 57 57 PHE C C 177.301 0.15 1 524 57 57 PHE CA C 59.480 0.15 1 525 57 57 PHE CB C 40.432 0.15 1 526 57 57 PHE CD1 C 132.606 0.15 1 527 57 57 PHE CE1 C 130.450 0.15 1 528 57 57 PHE CZ C 128.535 0.15 1 529 57 57 PHE N N 111.423 0.15 1 530 58 58 SER H H 8.126 0.05 1 531 58 58 SER HA H 4.468 0.05 1 532 58 58 SER HB2 H 4.180 0.05 1 533 58 58 SER C C 176.676 0.15 1 534 58 58 SER CA C 62.159 0.15 1 535 58 58 SER N N 118.439 0.15 1 536 59 59 SER H H 8.422 0.05 1 537 59 59 SER HA H 4.291 0.05 1 538 59 59 SER HB2 H 3.941 0.05 1 539 59 59 SER C C 175.955 0.15 1 540 59 59 SER CA C 60.277 0.15 1 541 59 59 SER CB C 62.444 0.15 1 542 59 59 SER N N 116.618 0.15 1 543 60 60 CYS H H 8.226 0.05 1 544 60 60 CYS HA H 4.067 0.05 1 545 60 60 CYS HB2 H 2.734 0.05 2 546 60 60 CYS HB3 H 3.322 0.05 2 547 60 60 CYS C C 174.682 0.15 1 548 60 60 CYS CA C 60.683 0.15 1 549 60 60 CYS CB C 28.894 0.15 1 550 60 60 CYS N N 118.900 0.15 1 551 61 61 GLY H H 7.414 0.05 1 552 61 61 GLY HA2 H 3.887 0.05 2 553 61 61 GLY HA3 H 4.489 0.05 2 554 61 61 GLY C C 171.619 0.15 1 555 61 61 GLY CA C 44.000 0.15 1 556 61 61 GLY N N 106.320 0.15 1 557 62 62 SER H H 8.182 0.05 1 558 62 62 SER HA H 4.420 0.05 1 559 62 62 SER HB2 H 3.912 0.05 2 560 62 62 SER HB3 H 3.826 0.05 2 561 62 62 SER C C 175.295 0.15 1 562 62 62 SER CA C 59.839 0.15 1 563 62 62 SER CB C 63.617 0.15 1 564 62 62 SER N N 112.485 0.15 1 565 63 63 ILE H H 8.857 0.05 1 566 63 63 ILE HA H 4.007 0.05 1 567 63 63 ILE HB H 1.569 0.05 1 568 63 63 ILE HD1 H 0.816 0.05 1 569 63 63 ILE HG12 H 1.973 0.05 1 570 63 63 ILE HG13 H 0.316 0.05 1 571 63 63 ILE HG2 H 0.529 0.05 1 572 63 63 ILE C C 175.045 0.15 1 573 63 63 ILE CA C 61.979 0.15 1 574 63 63 ILE CB C 41.048 0.15 1 575 63 63 ILE CD1 C 14.912 0.15 1 576 63 63 ILE CG1 C 29.470 0.15 1 577 63 63 ILE CG2 C 18.135 0.15 1 578 63 63 ILE N N 127.966 0.15 1 579 64 64 ASN H H 8.897 0.05 1 580 64 64 ASN HA H 4.667 0.05 1 581 64 64 ASN HB2 H 2.247 0.05 2 582 64 64 ASN HB3 H 2.450 0.05 2 583 64 64 ASN HD21 H 7.440 0.05 2 584 64 64 ASN HD22 H 7.153 0.05 2 585 64 64 ASN C C 174.686 0.15 1 586 64 64 ASN CA C 53.627 0.15 1 587 64 64 ASN CB C 40.062 0.15 1 588 64 64 ASN N N 124.997 0.15 1 589 64 64 ASN ND2 N 109.159 0.15 1 590 65 65 ARG H H 7.419 0.05 1 591 65 65 ARG HA H 5.155 0.05 1 592 65 65 ARG HB2 H 1.809 0.05 2 593 65 65 ARG HB3 H 1.845 0.05 2 594 65 65 ARG HD2 H 3.250 0.05 2 595 65 65 ARG HD3 H 3.157 0.05 2 596 65 65 ARG HE H 7.686 0.05 1 597 65 65 ARG HG2 H 1.605 0.05 2 598 65 65 ARG HG3 H 1.750 0.05 2 599 65 65 ARG C C 173.788 0.15 1 600 65 65 ARG CA C 55.703 0.15 1 601 65 65 ARG CB C 35.408 0.15 1 602 65 65 ARG CD C 43.909 0.15 1 603 65 65 ARG CG C 28.510 0.15 1 604 65 65 ARG N N 116.737 0.15 1 605 65 65 ARG NE N 85.344 0.15 1 606 66 66 ILE H H 8.681 0.05 1 607 66 66 ILE HA H 4.574 0.05 1 608 66 66 ILE HB H 1.442 0.05 1 609 66 66 ILE HD1 H 0.844 0.05 1 610 66 66 ILE HG12 H 0.848 0.05 1 611 66 66 ILE HG13 H 1.547 0.05 1 612 66 66 ILE HG2 H 0.782 0.05 1 613 66 66 ILE C C 173.717 0.15 1 614 66 66 ILE CA C 61.049 0.15 1 615 66 66 ILE CB C 42.988 0.15 1 616 66 66 ILE CD1 C 14.849 0.15 1 617 66 66 ILE CG1 C 29.035 0.15 1 618 66 66 ILE CG2 C 17.785 0.15 1 619 66 66 ILE N N 123.359 0.15 1 620 67 67 THR H H 8.861 0.05 1 621 67 67 THR HA H 5.378 0.05 1 622 67 67 THR HB H 4.087 0.05 1 623 67 67 THR HG2 H 1.157 0.05 1 624 67 67 THR C C 173.526 0.15 1 625 67 67 THR CA C 61.112 0.15 1 626 67 67 THR CB C 70.857 0.15 1 627 67 67 THR CG2 C 21.315 0.15 1 628 67 67 THR N N 124.375 0.15 1 629 68 68 ILE H H 9.768 0.05 1 630 68 68 ILE HA H 4.333 0.05 1 631 68 68 ILE HB H 1.600 0.05 1 632 68 68 ILE HD1 H 0.588 0.05 1 633 68 68 ILE HG12 H 1.432 0.05 1 634 68 68 ILE HG13 H 0.542 0.05 1 635 68 68 ILE HG2 H 0.780 0.05 1 636 68 68 ILE C C 173.743 0.15 1 637 68 68 ILE CA C 61.237 0.15 1 638 68 68 ILE CB C 40.908 0.15 1 639 68 68 ILE CD1 C 13.413 0.15 1 640 68 68 ILE CG1 C 28.423 0.15 1 641 68 68 ILE CG2 C 17.597 0.15 1 642 68 68 ILE N N 127.340 0.15 1 643 69 69 LEU H H 9.045 0.05 1 644 69 69 LEU HA H 5.074 0.05 1 645 69 69 LEU HB2 H 1.140 0.05 2 646 69 69 LEU HB3 H 0.566 0.05 2 647 69 69 LEU HD1 H 0.855 0.05 1 648 69 69 LEU HD2 H 0.661 0.05 1 649 69 69 LEU HG H 1.521 0.05 1 650 69 69 LEU C C 175.502 0.15 1 651 69 69 LEU CA C 55.186 0.15 1 652 69 69 LEU CB C 42.702 0.15 1 653 69 69 LEU CD1 C 26.370 0.15 2 654 69 69 LEU CD2 C 26.268 0.15 2 655 69 69 LEU CG C 28.502 0.15 1 656 69 69 LEU N N 128.686 0.15 1 657 70 70 CYS H H 8.767 0.05 1 658 70 70 CYS HA H 5.237 0.05 1 659 70 70 CYS HB2 H 2.554 0.05 1 660 70 70 CYS C C 173.558 0.15 1 661 70 70 CYS CA C 57.609 0.15 1 662 70 70 CYS CB C 29.830 0.15 1 663 70 70 CYS N N 120.856 0.15 1 664 71 71 ASP H H 9.109 0.05 1 665 71 71 ASP HA H 5.193 0.05 1 666 71 71 ASP HB2 H 2.695 0.05 2 667 71 71 ASP HB3 H 2.823 0.05 2 668 71 71 ASP C C 175.440 0.15 1 669 71 71 ASP CA C 53.705 0.15 1 670 71 71 ASP CB C 44.774 0.15 1 671 71 71 ASP N N 124.936 0.15 1 672 72 72 LYS H H 8.262 0.05 1 673 72 72 LYS HA H 4.553 0.05 1 674 72 72 LYS HB2 H 1.904 0.05 2 675 72 72 LYS HB3 H 1.586 0.05 2 676 72 72 LYS HD2 H 1.552 0.05 1 677 72 72 LYS HE2 H 2.761 0.05 1 678 72 72 LYS HG2 H 1.050 0.05 2 679 72 72 LYS HG3 H 1.351 0.05 2 680 72 72 LYS C C 177.732 0.15 1 681 72 72 LYS CA C 55.608 0.15 1 682 72 72 LYS CB C 32.469 0.15 1 683 72 72 LYS CE C 41.294 0.15 1 684 72 72 LYS CG C 24.975 0.15 1 685 72 72 LYS N N 120.339 0.15 1 686 73 73 PHE H H 8.663 0.05 1 687 73 73 PHE HA H 4.357 0.05 1 688 73 73 PHE HB2 H 3.240 0.05 2 689 73 73 PHE HB3 H 3.032 0.05 2 690 73 73 PHE HD1 H 7.301 0.05 1 691 73 73 PHE HD2 H 7.301 0.05 1 692 73 73 PHE C C 177.148 0.15 1 693 73 73 PHE CA C 60.214 0.15 1 694 73 73 PHE CB C 39.157 0.15 1 695 73 73 PHE CD2 C 131.621 0.15 1 696 73 73 PHE N N 121.961 0.15 1 697 74 74 SER H H 8.780 0.05 1 698 74 74 SER HA H 4.353 0.05 1 699 74 74 SER HB2 H 3.976 0.05 1 700 74 74 SER C C 174.810 0.15 1 701 74 74 SER CA C 58.965 0.15 1 702 74 74 SER CB C 63.650 0.15 1 703 74 74 SER N N 114.021 0.15 1 704 75 75 GLY H H 8.004 0.05 1 705 75 75 GLY HA2 H 3.635 0.05 2 706 75 75 GLY HA3 H 4.221 0.05 2 707 75 75 GLY C C 173.254 0.15 1 708 75 75 GLY CA C 45.162 0.15 1 709 75 75 GLY N N 108.714 0.15 1 710 76 76 HIS H H 7.670 0.05 1 711 76 76 HIS HA H 5.020 0.05 1 712 76 76 HIS HB2 H 3.038 0.05 2 713 76 76 HIS HB3 H 3.216 0.05 2 714 76 76 HIS HD2 H 7.204 0.05 1 715 76 76 HIS CA C 52.522 0.15 1 716 76 76 HIS CB C 29.410 0.15 1 717 76 76 HIS N N 118.164 0.15 1 718 77 77 PRO HA H 4.551 0.05 1 719 77 77 PRO HB2 H 1.451 0.05 1 720 77 77 PRO HD2 H 3.677 0.05 2 721 77 77 PRO HD3 H 3.566 0.05 2 722 77 77 PRO HG2 H 1.803 0.05 2 723 77 77 PRO HG3 H 1.517 0.05 2 724 77 77 PRO C C 176.458 0.15 1 725 77 77 PRO CA C 63.263 0.15 1 726 77 77 PRO CB C 32.077 0.15 1 727 77 77 PRO CD C 50.551 0.15 1 728 77 77 PRO CG C 27.626 0.15 1 729 78 78 LYS H H 8.846 0.05 1 730 78 78 LYS HA H 4.772 0.05 1 731 78 78 LYS HB2 H 1.943 0.05 2 732 78 78 LYS HB3 H 2.029 0.05 2 733 78 78 LYS HD2 H 1.785 0.05 1 734 78 78 LYS HE2 H 3.032 0.05 1 735 78 78 LYS HG2 H 1.551 0.05 1 736 78 78 LYS CA C 55.964 0.15 1 737 78 78 LYS CB C 35.816 0.15 1 738 78 78 LYS CE C 42.160 0.15 1 739 78 78 LYS N N 124.197 0.15 1 740 79 79 GLY H H 8.352 0.05 1 741 79 79 GLY HA2 H 3.871 0.05 2 742 79 79 GLY HA3 H 5.451 0.05 2 743 79 79 GLY C C 173.400 0.15 1 744 79 79 GLY CA C 45.189 0.15 1 745 79 79 GLY N N 109.568 0.15 1 746 80 80 TYR H H 8.856 0.05 1 747 80 80 TYR HA H 4.940 0.05 1 748 80 80 TYR HB2 H 3.336 0.05 2 749 80 80 TYR HB3 H 2.948 0.05 2 750 80 80 TYR HD1 H 6.823 0.05 1 751 80 80 TYR HD2 H 6.823 0.05 1 752 80 80 TYR HE1 H 6.800 0.05 1 753 80 80 TYR HE2 H 6.800 0.05 1 754 80 80 TYR C C 171.720 0.15 1 755 80 80 TYR CA C 56.267 0.15 1 756 80 80 TYR CB C 40.003 0.15 1 757 80 80 TYR CE2 C 118.245 0.15 1 758 80 80 TYR N N 120.052 0.15 1 759 81 81 ALA H H 9.215 0.05 1 760 81 81 ALA HA H 5.386 0.05 1 761 81 81 ALA HB H 1.065 0.05 1 762 81 81 ALA C C 175.357 0.15 1 763 81 81 ALA CA C 50.089 0.15 1 764 81 81 ALA CB C 24.030 0.15 1 765 81 81 ALA N N 120.138 0.15 1 766 82 82 TYR H H 8.974 0.05 1 767 82 82 TYR HA H 5.885 0.05 1 768 82 82 TYR HB2 H 3.061 0.05 2 769 82 82 TYR HB3 H 2.684 0.05 2 770 82 82 TYR HD1 H 7.083 0.05 4 771 82 82 TYR HD2 H 7.083 0.05 4 772 82 82 TYR HE1 H 6.987 0.05 4 773 82 82 TYR HE2 H 6.987 0.05 4 774 82 82 TYR C C 176.232 0.15 1 775 82 82 TYR CA C 55.626 0.15 1 776 82 82 TYR CB C 41.536 0.15 1 777 82 82 TYR N N 114.621 0.15 1 778 83 83 ILE H H 8.644 0.05 1 779 83 83 ILE HA H 4.275 0.05 1 780 83 83 ILE HB H 1.175 0.05 1 781 83 83 ILE HD1 H 0.022 0.05 1 782 83 83 ILE HG12 H 0.924 0.05 1 783 83 83 ILE HG13 H 0.624 0.05 1 784 83 83 ILE HG2 H -0.181 0.05 1 785 83 83 ILE C C 173.516 0.15 1 786 83 83 ILE CA C 60.345 0.15 1 787 83 83 ILE CB C 39.535 0.15 1 788 83 83 ILE CD1 C 13.863 0.15 1 789 83 83 ILE CG1 C 26.737 0.15 1 790 83 83 ILE CG2 C 17.227 0.15 1 791 83 83 ILE N N 122.447 0.15 1 792 84 84 GLU H H 8.612 0.05 1 793 84 84 GLU HA H 4.801 0.05 1 794 84 84 GLU HB2 H 1.982 0.05 2 795 84 84 GLU HB3 H 1.764 0.05 2 796 84 84 GLU C C 176.111 0.15 1 797 84 84 GLU CA C 54.496 0.15 1 798 84 84 GLU CB C 31.499 0.15 1 799 84 84 GLU N N 127.346 0.15 1 800 85 85 PHE H H 9.087 0.05 1 801 85 85 PHE HA H 4.817 0.05 1 802 85 85 PHE HB2 H 3.103 0.05 2 803 85 85 PHE HB3 H 3.577 0.05 2 804 85 85 PHE HD1 H 7.153 0.05 4 805 85 85 PHE HD2 H 7.153 0.05 4 806 85 85 PHE HE1 H 7.040 0.05 4 807 85 85 PHE HE2 H 7.040 0.05 4 808 85 85 PHE HZ H 6.927 0.05 4 809 85 85 PHE C C 174.422 0.15 1 810 85 85 PHE CA C 59.072 0.15 1 811 85 85 PHE CB C 40.765 0.15 1 812 85 85 PHE N N 128.049 0.15 1 813 86 86 ALA H H 8.192 0.05 1 814 86 86 ALA HA H 4.239 0.05 1 815 86 86 ALA HB H 1.450 0.05 1 816 86 86 ALA C C 178.143 0.15 1 817 86 86 ALA CA C 54.524 0.15 1 818 86 86 ALA CB C 19.510 0.15 1 819 86 86 ALA N N 120.669 0.15 1 820 87 87 GLU H H 8.455 0.05 1 821 87 87 GLU HA H 4.765 0.05 1 822 87 87 GLU HB2 H 1.994 0.05 2 823 87 87 GLU HB3 H 2.291 0.05 2 824 87 87 GLU HG2 H 2.347 0.05 1 825 87 87 GLU C C 176.472 0.15 1 826 87 87 GLU CA C 54.353 0.15 1 827 87 87 GLU CB C 32.624 0.15 1 828 87 87 GLU CG C 35.662 0.15 1 829 87 87 GLU N N 114.204 0.15 1 830 88 88 ARG H H 8.917 0.05 1 831 88 88 ARG HA H 3.961 0.05 1 832 88 88 ARG HB2 H 1.964 0.05 2 833 88 88 ARG HB3 H 1.905 0.05 2 834 88 88 ARG HD2 H 3.299 0.05 2 835 88 88 ARG HD3 H 3.200 0.05 2 836 88 88 ARG HG2 H 1.791 0.05 1 837 88 88 ARG C C 178.900 0.15 1 838 88 88 ARG CA C 59.548 0.15 1 839 88 88 ARG CB C 30.073 0.15 1 840 88 88 ARG CD C 43.606 0.15 1 841 88 88 ARG CG C 27.016 0.15 1 842 88 88 ARG N N 121.592 0.15 1 843 89 89 ASN H H 8.845 0.05 1 844 89 89 ASN HA H 4.497 0.05 1 845 89 89 ASN HB2 H 2.880 0.05 1 846 89 89 ASN HD21 H 6.872 0.05 2 847 89 89 ASN HD22 H 7.628 0.05 2 848 89 89 ASN C C 177.179 0.15 1 849 89 89 ASN CA C 55.861 0.15 1 850 89 89 ASN CB C 37.330 0.15 1 851 89 89 ASN N N 116.555 0.15 1 852 89 89 ASN ND2 N 112.193 0.15 1 853 90 90 SER H H 7.513 0.05 1 854 90 90 SER HA H 4.006 0.05 1 855 90 90 SER HB2 H 2.450 0.05 2 856 90 90 SER HB3 H 3.347 0.05 2 857 90 90 SER C C 174.511 0.15 1 858 90 90 SER CA C 61.395 0.15 1 859 90 90 SER CB C 63.424 0.15 1 860 90 90 SER N N 116.007 0.15 1 861 91 91 VAL H H 7.653 0.05 1 862 91 91 VAL HA H 3.201 0.05 1 863 91 91 VAL HB H 2.288 0.05 1 864 91 91 VAL HG1 H 1.145 0.05 2 865 91 91 VAL HG2 H 0.956 0.05 2 866 91 91 VAL C C 176.991 0.15 1 867 91 91 VAL CA C 66.851 0.15 1 868 91 91 VAL CB C 31.599 0.15 1 869 91 91 VAL CG1 C 23.419 0.15 2 870 91 91 VAL CG2 C 20.358 0.15 2 871 91 91 VAL N N 119.934 0.15 1 872 92 92 ASP H H 7.192 0.05 1 873 92 92 ASP HA H 4.321 0.05 1 874 92 92 ASP HB2 H 2.682 0.05 1 875 92 92 ASP C C 178.585 0.15 1 876 92 92 ASP CA C 57.401 0.15 1 877 92 92 ASP CB C 40.078 0.15 1 878 92 92 ASP N N 117.084 0.15 1 879 93 93 ALA H H 6.946 0.05 1 880 93 93 ALA HA H 4.186 0.05 1 881 93 93 ALA HB H 1.502 0.05 1 882 93 93 ALA C C 179.272 0.15 1 883 93 93 ALA CA C 54.445 0.15 1 884 93 93 ALA CB C 18.164 0.15 1 885 93 93 ALA N N 121.045 0.15 1 886 94 94 ALA H H 8.033 0.05 1 887 94 94 ALA HA H 4.545 0.05 1 888 94 94 ALA HB H 1.639 0.05 1 889 94 94 ALA C C 180.529 0.15 1 890 94 94 ALA CA C 55.518 0.15 1 891 94 94 ALA CB C 19.455 0.15 1 892 94 94 ALA N N 122.191 0.15 1 893 95 95 VAL H H 8.565 0.05 1 894 95 95 VAL HA H 3.741 0.05 1 895 95 95 VAL HB H 2.337 0.05 1 896 95 95 VAL HG1 H 1.084 0.05 2 897 95 95 VAL HG2 H 1.094 0.05 2 898 95 95 VAL C C 178.767 0.15 1 899 95 95 VAL CA C 65.820 0.15 1 900 95 95 VAL CB C 31.501 0.15 1 901 95 95 VAL CG1 C 22.591 0.15 2 902 95 95 VAL CG2 C 21.697 0.15 2 903 95 95 VAL N N 117.405 0.15 1 904 96 96 ALA H H 7.354 0.05 1 905 96 96 ALA HA H 4.403 0.05 1 906 96 96 ALA HB H 1.571 0.05 1 907 96 96 ALA C C 178.242 0.15 1 908 96 96 ALA CA C 53.916 0.15 1 909 96 96 ALA CB C 17.841 0.15 1 910 96 96 ALA N N 122.769 0.15 1 911 97 97 MET H H 7.980 0.05 1 912 97 97 MET HA H 4.471 0.05 1 913 97 97 MET HB2 H 2.491 0.05 2 914 97 97 MET HB3 H 2.141 0.05 2 915 97 97 MET HE H 1.571 0.05 1 916 97 97 MET HG2 H 2.418 0.05 2 917 97 97 MET HG3 H 2.534 0.05 2 918 97 97 MET C C 175.959 0.15 1 919 97 97 MET CA C 55.150 0.15 1 920 97 97 MET CB C 31.663 0.15 1 921 97 97 MET CE C 17.176 0.15 1 922 97 97 MET CG C 32.439 0.15 1 923 97 97 MET N N 115.573 0.15 1 924 98 98 ASP H H 7.852 0.05 1 925 98 98 ASP HA H 4.422 0.05 1 926 98 98 ASP HB2 H 2.702 0.05 2 927 98 98 ASP HB3 H 3.484 0.05 2 928 98 98 ASP C C 175.976 0.15 1 929 98 98 ASP CA C 57.476 0.15 1 930 98 98 ASP CB C 42.008 0.15 1 931 98 98 ASP N N 121.576 0.15 1 932 99 99 GLU H H 8.643 0.05 1 933 99 99 GLU HA H 4.154 0.05 1 934 99 99 GLU HB2 H 2.327 0.05 2 935 99 99 GLU HB3 H 2.272 0.05 2 936 99 99 GLU HG2 H 2.449 0.05 2 937 99 99 GLU HG3 H 2.252 0.05 2 938 99 99 GLU C C 176.369 0.15 1 939 99 99 GLU CA C 58.403 0.15 1 940 99 99 GLU CB C 26.214 0.15 1 941 99 99 GLU CG C 36.160 0.15 1 942 99 99 GLU N N 119.455 0.15 1 943 100 100 THR H H 7.416 0.05 1 944 100 100 THR HA H 4.498 0.05 1 945 100 100 THR HB H 4.514 0.05 1 946 100 100 THR HG2 H 1.324 0.05 1 947 100 100 THR C C 172.876 0.15 1 948 100 100 THR CA C 61.065 0.15 1 949 100 100 THR CB C 72.140 0.15 1 950 100 100 THR CG2 C 22.672 0.15 1 951 100 100 THR N N 107.670 0.15 1 952 101 101 VAL H H 8.252 0.05 1 953 101 101 VAL HA H 4.638 0.05 1 954 101 101 VAL HB H 1.901 0.05 1 955 101 101 VAL HG1 H 0.890 0.05 2 956 101 101 VAL HG2 H 0.731 0.05 2 957 101 101 VAL C C 176.138 0.15 1 958 101 101 VAL CA C 62.299 0.15 1 959 101 101 VAL CB C 32.215 0.15 1 960 101 101 VAL CG1 C 21.743 0.15 2 961 101 101 VAL CG2 C 21.163 0.15 2 962 101 101 VAL N N 118.227 0.15 1 963 102 102 PHE H H 9.300 0.05 1 964 102 102 PHE HA H 4.671 0.05 1 965 102 102 PHE HB2 H 2.104 0.05 2 966 102 102 PHE HB3 H 2.703 0.05 2 967 102 102 PHE HD1 H 6.967 0.05 4 968 102 102 PHE HD2 H 6.967 0.05 4 969 102 102 PHE HE1 H 7.054 0.05 4 970 102 102 PHE HE2 H 7.054 0.05 4 971 102 102 PHE C C 174.216 0.15 1 972 102 102 PHE CA C 56.205 0.15 1 973 102 102 PHE CB C 41.707 0.15 1 974 102 102 PHE N N 128.863 0.15 1 975 103 103 ARG H H 9.167 0.05 1 976 103 103 ARG HA H 3.389 0.05 1 977 103 103 ARG HB2 H 1.709 0.05 2 978 103 103 ARG HB3 H 0.946 0.05 2 979 103 103 ARG HD2 H 2.717 0.05 2 980 103 103 ARG HD3 H 3.040 0.05 2 981 103 103 ARG HE H 7.515 0.05 1 982 103 103 ARG HG2 H 0.879 0.05 2 983 103 103 ARG HG3 H 0.198 0.05 2 984 103 103 ARG HH11 H 6.555 0.05 4 985 103 103 ARG C C 176.014 0.15 1 986 103 103 ARG CA C 57.215 0.15 1 987 103 103 ARG CB C 27.382 0.15 1 988 103 103 ARG CD C 42.874 0.15 1 989 103 103 ARG CG C 26.890 0.15 1 990 103 103 ARG N N 128.268 0.15 1 991 103 103 ARG NE N 83.161 0.15 1 992 104 104 GLY H H 8.005 0.05 1 993 104 104 GLY HA2 H 4.006 0.05 2 994 104 104 GLY HA3 H 3.455 0.05 2 995 104 104 GLY C C 173.766 0.15 1 996 104 104 GLY CA C 45.598 0.15 1 997 104 104 GLY N N 101.324 0.15 1 998 105 105 ARG H H 7.681 0.05 1 999 105 105 ARG HA H 4.735 0.05 1 1000 105 105 ARG HB2 H 1.950 0.05 2 1001 105 105 ARG HB3 H 1.803 0.05 2 1002 105 105 ARG HD2 H 3.075 0.05 2 1003 105 105 ARG HD3 H 3.163 0.05 2 1004 105 105 ARG HE H 7.171 0.05 1 1005 105 105 ARG HG2 H 1.624 0.05 2 1006 105 105 ARG HG3 H 1.590 0.05 2 1007 105 105 ARG C C 174.543 0.15 1 1008 105 105 ARG CA C 54.071 0.15 1 1009 105 105 ARG CB C 33.159 0.15 1 1010 105 105 ARG CD C 43.265 0.15 1 1011 105 105 ARG CG C 27.272 0.15 1 1012 105 105 ARG N N 119.837 0.15 1 1013 105 105 ARG NE N 84.791 0.15 1 1014 106 106 THR H H 8.604 0.05 1 1015 106 106 THR HA H 4.593 0.05 1 1016 106 106 THR HB H 4.016 0.05 1 1017 106 106 THR HG2 H 1.123 0.05 1 1018 106 106 THR C C 175.643 0.15 1 1019 106 106 THR CA C 62.821 0.15 1 1020 106 106 THR CB C 68.784 0.15 1 1021 106 106 THR CG2 C 21.971 0.15 1 1022 106 106 THR N N 118.251 0.15 1 1023 107 107 ILE H H 8.756 0.05 1 1024 107 107 ILE HA H 4.884 0.05 1 1025 107 107 ILE HB H 2.003 0.05 1 1026 107 107 ILE HD1 H 0.651 0.05 1 1027 107 107 ILE HG12 H 1.531 0.05 1 1028 107 107 ILE HG13 H 1.401 0.05 1 1029 107 107 ILE HG2 H 1.007 0.05 1 1030 107 107 ILE C C 174.877 0.15 1 1031 107 107 ILE CA C 60.834 0.15 1 1032 107 107 ILE CB C 40.644 0.15 1 1033 107 107 ILE CD1 C 14.901 0.15 1 1034 107 107 ILE CG1 C 24.838 0.15 1 1035 107 107 ILE CG2 C 19.019 0.15 1 1036 107 107 ILE N N 123.422 0.15 1 1037 108 108 LYS H H 7.412 0.05 1 1038 108 108 LYS HA H 5.524 0.05 1 1039 108 108 LYS HB3 H 1.737 0.05 1 1040 108 108 LYS HD2 H 1.984 0.05 1 1041 108 108 LYS HE2 H 3.022 0.05 2 1042 108 108 LYS HE3 H 3.140 0.05 2 1043 108 108 LYS HG2 H 1.663 0.05 2 1044 108 108 LYS HG3 H 1.502 0.05 2 1045 108 108 LYS C C 175.839 0.15 1 1046 108 108 LYS CA C 52.172 0.15 1 1047 108 108 LYS CB C 33.947 0.15 1 1048 108 108 LYS CD C 27.532 0.15 1 1049 108 108 LYS CE C 41.253 0.15 1 1050 108 108 LYS CG C 23.845 0.15 1 1051 108 108 LYS N N 121.402 0.15 1 1052 109 109 VAL H H 9.467 0.05 1 1053 109 109 VAL HA H 5.410 0.05 1 1054 109 109 VAL HB H 1.987 0.05 1 1055 109 109 VAL HG1 H 1.105 0.05 2 1056 109 109 VAL HG2 H 0.919 0.05 2 1057 109 109 VAL C C 174.514 0.15 1 1058 109 109 VAL CA C 61.258 0.15 1 1059 109 109 VAL CB C 34.289 0.15 1 1060 109 109 VAL CG1 C 21.772 0.15 1 1061 109 109 VAL CG2 C 21.945 0.15 1 1062 109 109 VAL N N 125.530 0.15 1 1063 110 110 LEU H H 9.081 0.05 1 1064 110 110 LEU HA H 5.109 0.05 1 1065 110 110 LEU HB2 H 1.596 0.05 1 1066 110 110 LEU HD1 H 0.899 0.05 2 1067 110 110 LEU HD2 H 1.074 0.05 2 1068 110 110 LEU HG H 1.684 0.05 1 1069 110 110 LEU CA C 51.660 0.15 1 1070 110 110 LEU CB C 46.037 0.15 1 1071 110 110 LEU CD1 C 25.911 0.15 2 1072 110 110 LEU CD2 C 24.298 0.15 2 1073 110 110 LEU CG C 27.097 0.15 1 1074 110 110 LEU N N 125.323 0.15 1 1075 111 111 PRO HA H 4.539 0.05 1 1076 111 111 PRO HB2 H 2.424 0.05 2 1077 111 111 PRO HB3 H 1.957 0.05 2 1078 111 111 PRO HD2 H 3.825 0.05 2 1079 111 111 PRO HD3 H 3.687 0.05 2 1080 111 111 PRO HG2 H 1.965 0.05 2 1081 111 111 PRO HG3 H 2.210 0.05 2 1082 111 111 PRO C C 176.222 0.15 1 1083 111 111 PRO CA C 63.390 0.15 1 1084 111 111 PRO CB C 31.697 0.15 1 1085 111 111 PRO CD C 50.411 0.15 1 1086 111 111 PRO CG C 28.033 0.15 1 1087 112 112 LYS H H 8.121 0.05 1 1088 112 112 LYS HA H 4.113 0.05 1 1089 112 112 LYS HB2 H 1.328 0.05 2 1090 112 112 LYS HB3 H 1.975 0.05 2 1091 112 112 LYS HE2 H 2.243 0.05 2 1092 112 112 LYS HE3 H 1.962 0.05 2 1093 112 112 LYS HG2 H 1.265 0.05 2 1094 112 112 LYS HG3 H 1.299 0.05 2 1095 112 112 LYS C C 175.830 0.15 1 1096 112 112 LYS CA C 58.405 0.15 1 1097 112 112 LYS CB C 33.746 0.15 1 1098 112 112 LYS CE C 41.236 0.15 1 1099 112 112 LYS CG C 26.027 0.15 1 1100 112 112 LYS N N 124.317 0.15 1 1101 113 113 ARG H H 8.228 0.05 1 1102 113 113 ARG HA H 4.451 0.05 1 1103 113 113 ARG HB2 H 1.701 0.05 2 1104 113 113 ARG HB3 H 1.831 0.05 2 1105 113 113 ARG HD2 H 3.195 0.05 1 1106 113 113 ARG HG2 H 1.591 0.05 1 1107 113 113 ARG C C 175.758 0.15 1 1108 113 113 ARG CA C 55.468 0.15 1 1109 113 113 ARG CB C 31.550 0.15 1 1110 113 113 ARG CD C 43.493 0.15 1 1111 113 113 ARG N N 121.228 0.15 1 1112 114 114 THR H H 8.138 0.05 1 1113 114 114 THR HA H 4.264 0.05 1 1114 114 114 THR HB H 4.134 0.05 1 1115 114 114 THR HG2 H 1.185 0.05 1 1116 114 114 THR C C 174.043 0.15 1 1117 114 114 THR CA C 62.229 0.15 1 1118 114 114 THR CB C 69.682 0.15 1 1119 114 114 THR CG2 C 21.761 0.15 1 1120 114 114 THR N N 116.384 0.15 1 1121 115 115 ASN H H 8.406 0.05 1 1122 115 115 ASN HA H 4.682 0.05 1 1123 115 115 ASN HB2 H 2.760 0.05 1 1124 115 115 ASN HB3 H 2.703 0.05 1 1125 115 115 ASN HD21 H 7.489 0.05 2 1126 115 115 ASN HD22 H 6.807 0.05 2 1127 115 115 ASN C C 174.513 0.15 1 1128 115 115 ASN CA C 53.242 0.15 1 1129 115 115 ASN CB C 38.888 0.15 1 1130 115 115 ASN N N 120.871 0.15 1 1131 115 115 ASN ND2 N 112.287 0.15 1 1132 116 116 MET H H 8.138 0.05 1 1133 116 116 MET CA C 53.400 0.15 1 1134 116 116 MET CB C 32.829 0.15 1 1135 116 116 MET N N 121.611 0.15 1 1136 117 117 PRO HA H 4.428 0.05 1 1137 117 117 PRO HB2 H 1.921 0.05 2 1138 117 117 PRO HB3 H 2.261 0.05 2 1139 117 117 PRO C C 175.935 1.0 1 1140 117 117 PRO CA C 63.489 0.15 1 1141 117 117 PRO CB C 32.105 0.15 1 1142 118 118 GLY H H 8.411 0.05 1 1143 118 118 GLY HA2 H 3.927 0.05 2 1144 118 118 GLY HA3 H 4.389 0.05 2 1145 118 118 GLY C C 174.117 0.15 1 1146 118 118 GLY CA C 45.470 0.15 1 1147 118 118 GLY N N 109.241 0.15 1 1148 119 119 ILE H H 7.825 0.05 1 1149 119 119 ILE HA H 4.234 0.05 1 1150 119 119 ILE HB H 1.870 0.05 1 1151 119 119 ILE HD1 H 0.807 0.05 1 1152 119 119 ILE HG12 H 1.144 0.05 1 1153 119 119 ILE HG13 H 1.394 0.05 1 1154 119 119 ILE HG2 H 0.877 0.05 1 1155 119 119 ILE C C 176.261 0.15 1 1156 119 119 ILE CA C 61.029 0.15 1 1157 119 119 ILE CB C 38.878 0.15 1 1158 119 119 ILE CD1 C 13.099 0.15 1 1159 119 119 ILE CG2 C 17.684 0.15 1 1160 119 119 ILE N N 119.504 0.15 1 1161 120 120 SER H H 8.397 0.05 1 1162 120 120 SER HA H 4.534 0.05 1 1163 120 120 SER HB2 H 3.876 0.05 1 1164 120 120 SER C C 174.692 0.15 1 1165 120 120 SER CA C 58.150 0.15 1 1166 120 120 SER CB C 63.997 0.15 1 1167 120 120 SER N N 119.359 0.15 1 1168 121 121 SER H H 8.371 0.05 1 1169 121 121 SER HA H 4.360 0.05 1 1170 121 121 SER C C 174.809 0.15 1 1171 121 121 SER CA C 58.656 0.15 1 1172 121 121 SER CB C 63.795 0.15 1 1173 121 121 SER N N 118.036 0.15 1 1174 122 122 THR H H 8.100 0.05 1 1175 122 122 THR C C 174.254 0.15 1 1176 122 122 THR CA C 61.829 0.15 1 1177 122 122 THR CB C 69.537 0.15 1 1178 122 122 THR N N 114.163 0.15 1 1179 123 123 ASP H H 8.197 0.05 1 1180 123 123 ASP HA H 4.641 0.05 1 1181 123 123 ASP HB2 H 2.706 0.05 1 1182 123 123 ASP C C 174.975 0.15 1 1183 123 123 ASP CA C 54.542 0.15 1 1184 123 123 ASP CB C 41.144 0.15 1 1185 123 123 ASP N N 122.772 0.15 1 1186 124 124 ARG H H 7.768 0.05 1 1187 124 124 ARG CA C 57.468 0.15 1 1188 124 124 ARG CB C 31.658 0.15 1 1189 124 124 ARG N N 125.385 0.15 1 stop_ save_