data_7007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of At5g39720.1 from Arabidopsis thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Peterson F. C. . 3 Lytle B. L. . stop_ _BMRB_accession_number 7007 _BMRB_flat_file_name bmr7007.str _Entry_type new _Submission_date 2006-02-28 _Accession_date 2006-02-28 _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' 846 '15N chemical shifts' 162 '13C chemical shifts' 660 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of At5g39720.1 from Arabidopsis thaliana ; _Citation_status submitted _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle B. L. . 2 Peterson F. C. . 3 Tyler E. . . 4 Vinarov D. . . 5 Markley J. L. . 6 Volkman B. F. . stop_ _Journal_abbreviation ? _Journal_volume ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "At5g39720.1" "Structural Genomics" "Protein Structure Initiative" "PSI" "Center for Eukaryotic Structural Genomics" "CESG" stop_ save_ ################################## # Molecular system description # ################################## save_system_AT5G39720 _Saveframe_category molecular_system _Mol_system_name "AT5G39720.1" _Abbreviation_common "AT5G39720.1" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "AT5G39720.1 protein" $AT5G39720 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 2G0Q ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_AT5G39720 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AT5G39720 _Name_variant . _Abbreviation_common AT5G39720 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; GHHHHHHLECSSDSLQLHNV FVYGSFQDPDVINVMLDRTP EIVSATLPGFQRFRLKGRLY PCIVPSEKGEVHGKVLMGVT SDELENLDAVEGNEYERVTV GIVREDNSEKMAVKTYMWIN KADPDMFGEWNFEEWKRLHK KKFIETFKKIMECKKKPQGQ GNDDISHVLREDQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 CYS 11 SER 12 SER 13 ASP 14 SER 15 LEU 16 GLN 17 LEU 18 HIS 19 ASN 20 VAL 21 PHE 22 VAL 23 TYR 24 GLY 25 SER 26 PHE 27 GLN 28 ASP 29 PRO 30 ASP 31 VAL 32 ILE 33 ASN 34 VAL 35 MET 36 LEU 37 ASP 38 ARG 39 THR 40 PRO 41 GLU 42 ILE 43 VAL 44 SER 45 ALA 46 THR 47 LEU 48 PRO 49 GLY 50 PHE 51 GLN 52 ARG 53 PHE 54 ARG 55 LEU 56 LYS 57 GLY 58 ARG 59 LEU 60 TYR 61 PRO 62 CYS 63 ILE 64 VAL 65 PRO 66 SER 67 GLU 68 LYS 69 GLY 70 GLU 71 VAL 72 HIS 73 GLY 74 LYS 75 VAL 76 LEU 77 MET 78 GLY 79 VAL 80 THR 81 SER 82 ASP 83 GLU 84 LEU 85 GLU 86 ASN 87 LEU 88 ASP 89 ALA 90 VAL 91 GLU 92 GLY 93 ASN 94 GLU 95 TYR 96 GLU 97 ARG 98 VAL 99 THR 100 VAL 101 GLY 102 ILE 103 VAL 104 ARG 105 GLU 106 ASP 107 ASN 108 SER 109 GLU 110 LYS 111 MET 112 ALA 113 VAL 114 LYS 115 THR 116 TYR 117 MET 118 TRP 119 ILE 120 ASN 121 LYS 122 ALA 123 ASP 124 PRO 125 ASP 126 MET 127 PHE 128 GLY 129 GLU 130 TRP 131 ASN 132 PHE 133 GLU 134 GLU 135 TRP 136 LYS 137 ARG 138 LEU 139 HIS 140 LYS 141 LYS 142 LYS 143 PHE 144 ILE 145 GLU 146 THR 147 PHE 148 LYS 149 LYS 150 ILE 151 MET 152 GLU 153 CYS 154 LYS 155 LYS 156 LYS 157 PRO 158 GLN 159 GLY 160 GLN 161 GLY 162 ASN 163 ASP 164 ASP 165 ILE 166 SER 167 HIS 168 VAL 169 LEU 170 ARG 171 GLU 172 ASP 173 GLN stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT5G39720 "Thale cress" 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $AT5G39720 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AT5G39720 0.9 mM "[U-15N; U-13C]" "deuterated Bis-Tris" 10 mM . NaCl 100 mM . Dithiothreitol 5 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.9.3 loop_ _Task refinement stop_ _Details "SCHWIETERS, C.D.,KUSZEWSKI, J.J.,TJANDRA, N., CLORE, G.M." save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 15N-separated NOESY 3D 13C-separated NOESY 3D 13C-separated NOESY (AROMATIC) ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 298 . K 'ionic strength' 101 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . direct external . . . 1.000000000 DSS C 13 'methyl protons' ppm . indirect external . . . 0.251449530 DSS N 15 'methyl protons' ppm . indirect external . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "AT5G39720.1 protein" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 HIS N N 117.759 0.1 1 2 5 HIS H H 8.647 0.02 1 3 7 HIS CA C 56.695 0.1 1 4 7 HIS HA H 4.602 0.02 1 5 7 HIS CB C 30.747 0.1 1 6 7 HIS HB3 H 3.109 0.02 2 7 7 HIS C C 175.145 0.1 1 8 8 LEU N N 123.596 0.1 1 9 8 LEU H H 8.248 0.02 1 10 8 LEU CA C 55.335 0.1 1 11 8 LEU HA H 4.303 0.02 1 12 8 LEU CB C 42.507 0.1 1 13 8 LEU HB3 H 1.586 0.02 2 14 8 LEU CG C 27.123 0.1 1 15 8 LEU HG H 1.417 0.02 1 16 8 LEU HD1 H 0.808 0.02 2 17 8 LEU HD2 H 0.859 0.02 2 18 8 LEU CD1 C 23.839 0.1 1 19 8 LEU CD2 C 25.466 0.1 1 20 8 LEU C C 177.280 0.1 1 21 9 GLU N N 121.913 0.1 1 22 9 GLU H H 8.462 0.02 1 23 9 GLU CA C 57.169 0.1 1 24 9 GLU HA H 4.274 0.02 1 25 9 GLU CB C 30.470 0.1 1 26 9 GLU HB2 H 2.062 0.02 2 27 9 GLU HB3 H 1.947 0.02 2 28 9 GLU CG C 36.591 0.1 1 29 9 GLU HG3 H 2.283 0.02 2 30 9 GLU C C 176.490 0.1 1 31 10 CYS N N 120.157 0.1 1 32 10 CYS H H 8.375 0.02 1 33 10 CYS CA C 58.556 0.1 1 34 10 CYS HA H 4.554 0.02 1 35 10 CYS CB C 28.711 0.1 1 36 10 CYS HB2 H 3.017 0.02 2 37 10 CYS HB3 H 2.933 0.02 2 38 10 CYS C C 174.760 0.1 1 39 11 SER N N 118.749 0.1 1 40 11 SER H H 8.498 0.02 1 41 11 SER CA C 58.852 0.1 1 42 11 SER HA H 4.491 0.02 1 43 11 SER CB C 64.179 0.1 1 44 11 SER HB3 H 3.926 0.02 2 45 11 SER C C 175.031 0.1 1 46 12 SER H H 8.469 0.02 1 47 12 SER CA C 59.240 0.1 1 48 12 SER HA H 4.459 0.02 1 49 12 SER CB C 64.185 0.1 1 50 12 SER HB2 H 3.957 0.02 2 51 12 SER HB3 H 3.883 0.02 2 52 12 SER C C 174.802 0.1 1 53 13 ASP N N 122.391 0.1 1 54 13 ASP H H 8.339 0.02 1 55 13 ASP CA C 55.269 0.1 1 56 13 ASP HA H 4.625 0.02 1 57 13 ASP CB C 41.384 0.1 1 58 13 ASP HB3 H 2.709 0.02 2 59 13 ASP C C 176.840 0.1 1 60 14 SER N N 115.942 0.1 1 61 14 SER H H 8.188 0.02 1 62 14 SER CA C 59.381 0.1 1 63 14 SER HA H 4.413 0.02 1 64 14 SER CB C 63.879 0.1 1 65 14 SER HB3 H 3.895 0.02 2 66 14 SER C C 174.758 0.1 1 67 15 LEU N N 123.303 0.1 1 68 15 LEU H H 8.079 0.02 1 69 15 LEU CA C 55.587 0.1 1 70 15 LEU HA H 4.348 0.02 1 71 15 LEU CB C 42.534 0.1 1 72 15 LEU HB2 H 1.653 0.02 2 73 15 LEU HB3 H 1.571 0.02 2 74 15 LEU CG C 27.415 0.1 1 75 15 LEU HG H 1.581 0.02 1 76 15 LEU HD1 H 0.834 0.02 2 77 15 LEU HD2 H 0.904 0.02 2 78 15 LEU CD1 C 23.740 0.1 1 79 15 LEU CD2 C 25.415 0.1 1 80 15 LEU C C 176.999 0.1 1 81 16 GLN N N 120.783 0.1 1 82 16 GLN H H 8.081 0.02 1 83 16 GLN CA C 56.025 0.1 1 84 16 GLN HA H 4.233 0.02 1 85 16 GLN CB C 29.566 0.1 1 86 16 GLN HB2 H 1.918 0.02 2 87 16 GLN HB3 H 2.019 0.02 2 88 16 GLN CG C 34.104 0.1 1 89 16 GLN HG3 H 2.224 0.02 2 90 16 GLN C C 174.573 0.1 1 91 17 LEU N N 121.498 0.1 1 92 17 LEU H H 7.674 0.02 1 93 17 LEU CA C 53.707 0.1 1 94 17 LEU HA H 4.680 0.02 1 95 17 LEU CB C 45.166 0.1 1 96 17 LEU HB2 H 1.132 0.02 2 97 17 LEU HB3 H 1.581 0.02 2 98 17 LEU CG C 27.262 0.1 1 99 17 LEU HG H 1.498 0.02 1 100 17 LEU HD1 H 0.830 0.02 2 101 17 LEU HD2 H 0.702 0.02 2 102 17 LEU CD1 C 25.831 0.1 1 103 17 LEU CD2 C 23.642 0.1 1 104 17 LEU C C 176.469 0.1 1 105 18 HIS N N 120.238 0.1 1 106 18 HIS H H 9.376 0.02 1 107 18 HIS CA C 55.390 0.1 1 108 18 HIS HA H 4.648 0.02 1 109 18 HIS CB C 34.468 0.1 1 110 18 HIS HB3 H 2.617 0.02 2 111 18 HIS CD2 C 118.722 0.1 1 112 18 HIS CE1 C 138.375 0.1 1 113 18 HIS HD2 H 6.718 0.02 1 114 18 HIS HE1 H 7.549 0.02 1 115 18 HIS C C 173.780 0.1 1 116 19 ASN N N 121.104 0.1 1 117 19 ASN H H 8.773 0.02 1 118 19 ASN CA C 52.239 0.1 1 119 19 ASN HA H 6.046 0.02 1 120 19 ASN CB C 40.812 0.1 1 121 19 ASN HB2 H 2.476 0.02 2 122 19 ASN HB3 H 2.759 0.02 2 123 19 ASN ND2 N 114.626 0.1 1 124 19 ASN HD21 H 6.880 0.02 2 125 19 ASN HD22 H 7.740 0.02 2 126 19 ASN C C 175.234 0.1 1 127 20 VAL N N 123.888 0.1 1 128 20 VAL H H 8.959 0.02 1 129 20 VAL CA C 60.976 0.1 1 130 20 VAL HA H 4.993 0.02 1 131 20 VAL CB C 36.523 0.1 1 132 20 VAL HB H 1.873 0.02 1 133 20 VAL HG1 H 0.715 0.02 2 134 20 VAL HG2 H 0.767 0.02 2 135 20 VAL CG1 C 21.498 0.1 1 136 20 VAL CG2 C 20.527 0.1 1 137 20 VAL C C 175.135 0.1 1 138 21 PHE N N 128.618 0.1 1 139 21 PHE H H 9.751 0.02 1 140 21 PHE CA C 57.341 0.1 1 141 21 PHE HA H 5.305 0.02 1 142 21 PHE CB C 41.679 0.1 1 143 21 PHE HB2 H 2.784 0.02 2 144 21 PHE HB3 H 2.656 0.02 2 145 21 PHE CD1 C 132.198 0.1 1 146 21 PHE HD1 H 6.970 0.02 1 147 21 PHE CE1 C 130.755 0.1 1 148 21 PHE HE1 H 6.824 0.02 1 149 21 PHE HE2 H 6.824 0.02 1 150 21 PHE HD2 H 6.970 0.02 1 151 21 PHE C C 174.150 0.1 1 152 22 VAL N N 122.449 0.1 1 153 22 VAL H H 9.230 0.02 1 154 22 VAL CA C 59.023 0.1 1 155 22 VAL HA H 4.290 0.02 1 156 22 VAL CB C 35.273 0.1 1 157 22 VAL HB H 1.727 0.02 1 158 22 VAL HG1 H 0.444 0.02 2 159 22 VAL HG2 H 0.730 0.02 2 160 22 VAL CG1 C 17.290 0.1 1 161 22 VAL CG2 C 21.821 0.1 1 162 22 VAL C C 173.637 0.1 1 163 23 TYR N N 113.882 0.1 1 164 23 TYR H H 7.056 0.02 1 165 23 TYR CA C 56.110 0.1 1 166 23 TYR HA H 4.466 0.02 1 167 23 TYR CB C 38.954 0.1 1 168 23 TYR HB2 H 2.150 0.02 2 169 23 TYR HB3 H 3.126 0.02 2 170 23 TYR CD1 C 134.756 0.1 1 171 23 TYR HD1 H 6.655 0.02 1 172 23 TYR CE1 C 118.418 0.1 1 173 23 TYR HE1 H 6.158 0.02 1 174 23 TYR HE2 H 6.158 0.02 1 175 23 TYR HD2 H 6.655 0.02 1 176 23 TYR C C 174.221 0.1 1 177 25 SER C C 175.359 0.1 1 178 26 PHE N N 117.637 0.1 1 179 26 PHE H H 7.888 0.02 1 180 26 PHE CA C 57.920 0.1 1 181 26 PHE HA H 4.262 0.02 1 182 26 PHE CB C 37.026 0.1 1 183 26 PHE HB2 H 2.726 0.02 2 184 26 PHE HB3 H 3.165 0.02 2 185 26 PHE CD1 C 130.008 0.1 1 186 26 PHE HD1 H 6.900 0.02 1 187 26 PHE CE1 C 131.273 0.1 1 188 26 PHE HE1 H 6.792 0.02 1 189 26 PHE HE2 H 6.792 0.02 1 190 26 PHE HD2 H 6.900 0.02 1 191 26 PHE C C 173.128 0.1 1 192 27 GLN N N 110.185 0.1 1 193 27 GLN H H 6.971 0.02 1 194 27 GLN CA C 57.769 0.1 1 195 27 GLN HA H 3.649 0.02 1 196 27 GLN CB C 32.917 0.1 1 197 27 GLN HB2 H 1.607 0.02 1 198 27 GLN HB3 H 1.607 0.02 1 199 27 GLN CG C 36.364 0.1 1 200 27 GLN HG2 H 1.587 0.02 2 201 27 GLN HG3 H 1.898 0.02 2 202 27 GLN NE2 N 106.277 0.1 1 203 27 GLN HE21 H 6.556 0.02 2 204 27 GLN HE22 H 6.405 0.02 2 205 27 GLN C C 175.620 0.1 1 206 28 ASP N N 120.496 0.1 1 207 28 ASP H H 7.909 0.02 1 208 28 ASP CA C 51.902 0.1 1 209 28 ASP HA H 5.065 0.02 1 210 28 ASP CB C 44.457 0.1 1 211 28 ASP HB2 H 2.950 0.02 2 212 28 ASP HB3 H 3.454 0.02 2 213 28 ASP C C 174.794 0.1 1 214 29 PRO CD C 51.578 0.1 1 215 29 PRO CA C 65.255 0.1 1 216 29 PRO HA H 4.222 0.02 1 217 29 PRO CB C 32.958 0.1 1 218 29 PRO HB2 H 2.052 0.02 2 219 29 PRO HB3 H 2.311 0.02 2 220 29 PRO CG C 27.948 0.1 1 221 29 PRO HG2 H 2.034 0.02 2 222 29 PRO HG3 H 2.120 0.02 2 223 29 PRO HD2 H 3.933 0.02 2 224 29 PRO HD3 H 4.139 0.02 2 225 29 PRO C C 178.412 0.1 1 226 30 ASP N N 117.803 0.1 1 227 30 ASP H H 8.548 0.02 1 228 30 ASP CA C 57.822 0.1 1 229 30 ASP HA H 4.514 0.02 1 230 30 ASP CB C 41.287 0.1 1 231 30 ASP HB2 H 2.725 0.02 1 232 30 ASP HB3 H 2.725 0.02 1 233 30 ASP C C 179.039 0.1 1 234 31 VAL N N 121.607 0.1 1 235 31 VAL H H 8.262 0.02 1 236 31 VAL CA C 66.620 0.1 1 237 31 VAL HA H 3.691 0.02 1 238 31 VAL CB C 32.209 0.1 1 239 31 VAL HB H 2.675 0.02 1 240 31 VAL HG1 H 0.884 0.02 2 241 31 VAL HG2 H 1.435 0.02 2 242 31 VAL CG1 C 22.769 0.1 1 243 31 VAL CG2 C 23.136 0.1 1 244 31 VAL C C 178.152 0.1 1 245 32 ILE N N 118.148 0.1 1 246 32 ILE H H 8.176 0.02 1 247 32 ILE CA C 63.131 0.1 1 248 32 ILE HA H 3.778 0.02 1 249 32 ILE CB C 37.927 0.1 1 250 32 ILE HB H 2.014 0.02 1 251 32 ILE HG2 H 1.104 0.02 1 252 32 ILE CG2 C 19.879 0.1 1 253 32 ILE CG1 C 29.876 0.1 1 254 32 ILE HG12 H 1.204 0.02 2 255 32 ILE HG13 H 1.580 0.02 2 256 32 ILE HD1 H 0.694 0.02 1 257 32 ILE CD1 C 14.376 0.1 1 258 32 ILE C C 177.396 0.1 1 259 33 ASN N N 118.673 0.1 1 260 33 ASN H H 7.930 0.02 1 261 33 ASN CA C 57.226 0.1 1 262 33 ASN HA H 4.508 0.02 1 263 33 ASN CB C 40.326 0.1 1 264 33 ASN HB2 H 2.700 0.02 2 265 33 ASN HB3 H 2.944 0.02 2 266 33 ASN ND2 N 112.231 0.1 1 267 33 ASN HD21 H 6.930 0.02 2 268 33 ASN HD22 H 7.417 0.02 2 269 33 ASN C C 178.236 0.1 1 270 34 VAL N N 117.970 0.1 1 271 34 VAL H H 7.548 0.02 1 272 34 VAL CA C 65.692 0.1 1 273 34 VAL HA H 3.878 0.02 1 274 34 VAL CB C 31.875 0.1 1 275 34 VAL HB H 2.429 0.02 1 276 34 VAL HG1 H 1.291 0.02 2 277 34 VAL HG2 H 0.986 0.02 2 278 34 VAL CG1 C 23.740 0.1 1 279 34 VAL CG2 C 22.145 0.1 1 280 34 VAL C C 176.779 0.1 1 281 35 MET N N 116.392 0.1 1 282 35 MET H H 7.355 0.02 1 283 35 MET CA C 57.859 0.1 1 284 35 MET HA H 4.378 0.02 1 285 35 MET CB C 33.775 0.1 1 286 35 MET HB3 H 1.995 0.02 2 287 35 MET CG C 32.300 0.1 1 288 35 MET HG3 H 2.311 0.02 2 289 35 MET HE H 1.490 0.02 1 290 35 MET CE C 17.335 0.1 1 291 35 MET C C 177.083 0.1 1 292 36 LEU N N 114.038 0.1 1 293 36 LEU H H 8.329 0.02 1 294 36 LEU CA C 54.970 0.1 1 295 36 LEU HA H 4.497 0.02 1 296 36 LEU CB C 43.100 0.1 1 297 36 LEU HB2 H 1.655 0.02 2 298 36 LEU HB3 H 1.966 0.02 2 299 36 LEU CG C 27.173 0.1 1 300 36 LEU HG H 1.690 0.02 1 301 36 LEU HD2 H 0.730 0.02 2 302 36 LEU CD2 C 25.200 0.1 1 303 36 LEU C C 177.012 0.1 1 304 37 ASP N N 117.948 0.1 1 305 37 ASP H H 8.469 0.02 1 306 37 ASP CA C 56.252 0.1 1 307 37 ASP HA H 4.483 0.02 1 308 37 ASP CB C 40.644 0.1 1 309 37 ASP HB2 H 2.652 0.02 2 310 37 ASP HB3 H 3.061 0.02 2 311 37 ASP C C 173.983 0.1 1 312 38 ARG N N 111.619 0.1 1 313 38 ARG H H 7.559 0.02 1 314 38 ARG CA C 54.973 0.1 1 315 38 ARG HA H 4.477 0.02 1 316 38 ARG CB C 30.662 0.1 1 317 38 ARG HB2 H 1.709 0.02 2 318 38 ARG HB3 H 1.966 0.02 2 319 38 ARG CG C 26.329 0.1 1 320 38 ARG HG2 H 0.859 0.02 2 321 38 ARG HG3 H 1.403 0.02 2 322 38 ARG CD C 43.162 0.1 1 323 38 ARG HD2 H 3.008 0.02 2 324 38 ARG NE N 87.258 0.1 1 325 38 ARG HE H 9.417 0.02 1 326 38 ARG C C 173.414 0.1 1 327 39 THR N N 114.964 0.1 1 328 39 THR H H 8.631 0.02 1 329 39 THR CA C 59.347 0.1 1 330 39 THR HA H 4.843 0.02 1 331 39 THR CB C 70.005 0.1 1 332 39 THR HB H 4.072 0.02 1 333 39 THR HG2 H 1.295 0.02 1 334 39 THR CG2 C 22.145 0.1 1 335 39 THR C C 173.514 0.1 1 336 40 PRO CD C 51.481 0.1 1 337 40 PRO CA C 62.499 0.1 1 338 40 PRO HA H 4.641 0.02 1 339 40 PRO CB C 32.252 0.1 1 340 40 PRO HB3 H 2.165 0.02 2 341 40 PRO CG C 27.087 0.1 1 342 40 PRO HG2 H 1.613 0.02 2 343 40 PRO HG3 H 1.695 0.02 2 344 40 PRO HD2 H 3.619 0.02 2 345 40 PRO HD3 H 3.804 0.02 2 346 40 PRO C C 174.546 0.1 1 347 41 GLU N N 120.686 0.1 1 348 41 GLU H H 8.208 0.02 1 349 41 GLU CA C 57.969 0.1 1 350 41 GLU HA H 4.117 0.02 1 351 41 GLU CB C 30.128 0.1 1 352 41 GLU HB3 H 1.942 0.02 2 353 41 GLU CG C 36.777 0.1 1 354 41 GLU HG2 H 2.299 0.02 2 355 41 GLU HG3 H 2.163 0.02 2 356 41 GLU C C 175.094 0.1 1 357 42 ILE N N 123.977 0.1 1 358 42 ILE H H 7.990 0.02 1 359 42 ILE CA C 60.642 0.1 1 360 42 ILE HA H 5.179 0.02 1 361 42 ILE CB C 41.714 0.1 1 362 42 ILE HB H 1.580 0.02 1 363 42 ILE HG2 H 0.786 0.02 1 364 42 ILE CG2 C 18.932 0.1 1 365 42 ILE CG1 C 27.624 0.1 1 366 42 ILE HG12 H 1.819 0.02 2 367 42 ILE HG13 H 0.778 0.02 2 368 42 ILE HD1 H 0.744 0.02 1 369 42 ILE CD1 C 13.923 0.1 1 370 42 ILE C C 176.635 0.1 1 371 43 VAL N N 125.051 0.1 1 372 43 VAL H H 8.663 0.02 1 373 43 VAL CA C 60.480 0.1 1 374 43 VAL HA H 4.640 0.02 1 375 43 VAL CB C 36.514 0.1 1 376 43 VAL HB H 2.033 0.02 1 377 43 VAL HG1 H 1.002 0.02 2 378 43 VAL HG2 H 0.786 0.02 2 379 43 VAL CG1 C 20.850 0.1 1 380 43 VAL CG2 C 21.076 0.1 1 381 43 VAL C C 175.968 0.1 1 382 44 SER N N 123.596 0.1 1 383 44 SER H H 9.152 0.02 1 384 44 SER CA C 60.804 0.1 1 385 44 SER HA H 4.797 0.02 1 386 44 SER CB C 63.555 0.1 1 387 44 SER HB2 H 4.086 0.02 2 388 44 SER HB3 H 3.920 0.02 2 389 44 SER C C 174.094 0.1 1 390 45 ALA N N 125.566 0.1 1 391 45 ALA H H 8.552 0.02 1 392 45 ALA CA C 52.239 0.1 1 393 45 ALA HA H 5.220 0.02 1 394 45 ALA HB H 1.361 0.02 1 395 45 ALA CB C 26.221 0.1 1 396 45 ALA C C 174.623 0.1 1 397 46 THR N N 115.921 0.1 1 398 46 THR H H 8.812 0.02 1 399 46 THR CA C 61.739 0.1 1 400 46 THR HA H 4.935 0.02 1 401 46 THR CB C 71.300 0.1 1 402 46 THR HB H 3.764 0.02 1 403 46 THR HG2 H 0.778 0.02 1 404 46 THR CG2 C 22.267 0.1 1 405 46 THR C C 171.910 0.1 1 406 47 LEU N N 127.944 0.1 1 407 47 LEU H H 9.128 0.02 1 408 47 LEU CA C 50.931 0.1 1 409 47 LEU HA H 4.825 0.02 1 410 47 LEU CB C 43.486 0.1 1 411 47 LEU HB2 H 1.498 0.02 2 412 47 LEU HB3 H -0.112 0.02 2 413 47 LEU CG C 26.977 0.1 1 414 47 LEU HG H 1.237 0.02 1 415 47 LEU HD1 H -0.233 0.02 2 416 47 LEU HD2 H 0.396 0.02 2 417 47 LEU CD1 C 26.653 0.1 1 418 47 LEU CD2 C 23.092 0.1 1 419 47 LEU C C 173.197 0.1 1 420 48 PRO CD C 51.472 0.1 1 421 48 PRO CA C 62.584 0.1 1 422 48 PRO HA H 4.791 0.02 1 423 48 PRO CB C 32.879 0.1 1 424 48 PRO HB2 H 2.013 0.02 2 425 48 PRO HB3 H 2.448 0.02 2 426 48 PRO CG C 26.944 0.1 1 427 48 PRO HG2 H 2.079 0.02 2 428 48 PRO HG3 H 1.919 0.02 2 429 48 PRO HD2 H 3.940 0.02 2 430 48 PRO HD3 H 4.053 0.02 2 431 48 PRO C C 177.675 0.1 1 432 49 GLY N N 108.746 0.1 1 433 49 GLY H H 8.568 0.02 1 434 49 GLY CA C 46.529 0.1 1 435 49 GLY HA2 H 3.989 0.02 2 436 49 GLY HA3 H 3.823 0.02 2 437 49 GLY C C 174.919 0.1 1 438 50 PHE N N 118.379 0.1 1 439 50 PHE H H 7.286 0.02 1 440 50 PHE CA C 56.613 0.1 1 441 50 PHE HA H 4.920 0.02 1 442 50 PHE CB C 45.037 0.1 1 443 50 PHE HB2 H 2.341 0.02 2 444 50 PHE HB3 H 2.459 0.02 2 445 50 PHE CD1 C 131.710 0.1 1 446 50 PHE HD1 H 6.802 0.02 1 447 50 PHE CE1 C 130.606 0.1 1 448 50 PHE HE1 H 7.231 0.02 1 449 50 PHE HE2 H 7.231 0.02 1 450 50 PHE HD2 H 6.802 0.02 1 451 50 PHE C C 172.228 0.1 1 452 51 GLN N N 115.999 0.1 1 453 51 GLN H H 8.550 0.02 1 454 51 GLN CA C 54.486 0.1 1 455 51 GLN HA H 4.413 0.02 1 456 51 GLN CB C 33.500 0.1 1 457 51 GLN HB2 H 1.756 0.02 2 458 51 GLN HB3 H 1.549 0.02 2 459 51 GLN CG C 34.098 0.1 1 460 51 GLN HG2 H 1.645 0.02 2 461 51 GLN HG3 H 1.908 0.02 2 462 51 GLN NE2 N 112.660 0.1 1 463 51 GLN HE21 H 6.914 0.02 2 464 51 GLN HE22 H 7.406 0.02 2 465 51 GLN C C 172.846 0.1 1 466 52 ARG N N 124.028 0.1 1 467 52 ARG H H 8.489 0.02 1 468 52 ARG CA C 54.168 0.1 1 469 52 ARG HA H 5.372 0.02 1 470 52 ARG CB C 32.480 0.1 1 471 52 ARG HB2 H 1.304 0.02 2 472 52 ARG HB3 H 2.335 0.02 2 473 52 ARG C C 175.195 0.1 1 474 53 PHE N N 128.012 0.1 1 475 53 PHE H H 8.867 0.02 1 476 53 PHE CA C 57.405 0.1 1 477 53 PHE HA H 5.216 0.02 1 478 53 PHE CB C 44.780 0.1 1 479 53 PHE HB2 H 2.311 0.02 2 480 53 PHE HB3 H 3.400 0.02 2 481 53 PHE CD1 C 132.429 0.1 1 482 53 PHE HD1 H 7.135 0.02 1 483 53 PHE CE1 C 131.127 0.1 1 484 53 PHE HE1 H 7.143 0.02 1 485 53 PHE HE2 H 7.143 0.02 1 486 53 PHE HD2 H 7.135 0.02 1 487 53 PHE C C 175.888 0.1 1 488 54 ARG N N 117.461 0.1 1 489 54 ARG H H 7.935 0.02 1 490 54 ARG CA C 55.786 0.1 1 491 54 ARG HA H 4.263 0.02 1 492 54 ARG CB C 31.832 0.1 1 493 54 ARG HB2 H 1.539 0.02 2 494 54 ARG HB3 H 1.727 0.02 2 495 54 ARG CG C 27.948 0.1 1 496 54 ARG HG3 H 1.551 0.02 2 497 54 ARG CD C 44.457 0.1 1 498 54 ARG HD2 H 3.122 0.02 2 499 54 ARG HD3 H 3.337 0.02 2 500 54 ARG C C 174.149 0.1 1 501 58 ARG N N 118.614 0.1 1 502 58 ARG H H 8.176 0.02 1 503 58 ARG CA C 58.951 0.1 1 504 58 ARG HA H 4.263 0.02 1 505 58 ARG CB C 31.568 0.1 1 506 58 ARG CD C 43.486 0.1 1 507 58 ARG HD2 H 2.743 0.02 2 508 58 ARG HD3 H 3.201 0.02 2 509 58 ARG NE N 84.480 0.1 1 510 58 ARG HE H 7.279 0.02 1 511 58 ARG C C 174.084 0.1 1 512 59 LEU N N 122.213 0.1 1 513 59 LEU H H 8.706 0.02 1 514 59 LEU CA C 53.031 0.1 1 515 59 LEU HA H 4.753 0.02 1 516 59 LEU CB C 46.075 0.1 1 517 59 LEU HB2 H 0.922 0.02 2 518 59 LEU HB3 H 1.200 0.02 2 519 59 LEU CG C 26.977 0.1 1 520 59 LEU HG H 0.966 0.02 1 521 59 LEU HD1 H -0.129 0.02 2 522 59 LEU HD2 H 0.102 0.02 2 523 59 LEU CD1 C 26.006 0.1 1 524 59 LEU CD2 C 24.063 0.1 1 525 59 LEU C C 174.288 0.1 1 526 60 TYR N N 124.383 0.1 1 527 60 TYR H H 8.915 0.02 1 528 60 TYR CA C 58.868 0.1 1 529 60 TYR HA H 4.052 0.02 1 530 60 TYR CB C 33.127 0.1 1 531 60 TYR HB3 H 1.695 0.02 2 532 60 TYR CD1 C 135.187 0.1 1 533 60 TYR HD1 H 7.106 0.02 1 534 60 TYR HD2 H 7.106 0.02 1 535 61 PRO CA C 62.009 0.1 1 536 61 PRO HA H 4.971 0.02 1 537 61 PRO C C 175.773 0.1 1 538 62 CYS N N 112.128 0.1 1 539 62 CYS H H 8.589 0.02 1 540 62 CYS CA C 55.925 0.1 1 541 62 CYS HA H 5.587 0.02 1 542 62 CYS CB C 34.506 0.1 1 543 62 CYS HB2 H 2.920 0.02 2 544 62 CYS HB3 H 2.396 0.02 2 545 62 CYS C C 172.084 0.1 1 546 63 ILE N N 107.637 0.1 1 547 63 ILE H H 6.594 0.02 1 548 63 ILE CA C 59.280 0.1 1 549 63 ILE HA H 5.916 0.02 1 550 63 ILE CB C 42.514 0.1 1 551 63 ILE HB H 1.598 0.02 1 552 63 ILE HG2 H 0.270 0.02 1 553 63 ILE CG2 C 14.376 0.1 1 554 63 ILE CG1 C 23.740 0.1 1 555 63 ILE HG12 H 1.480 0.02 2 556 63 ILE HG13 H 1.164 0.02 2 557 63 ILE HD1 H -0.253 0.02 1 558 63 ILE CD1 C 14.700 0.1 1 559 63 ILE C C 174.860 0.1 1 560 64 VAL N N 112.515 0.1 1 561 64 VAL H H 8.326 0.02 1 562 64 VAL CA C 59.671 0.1 1 563 64 VAL HA H 5.025 0.02 1 564 64 VAL CB C 34.746 0.1 1 565 64 VAL HB H 2.500 0.02 1 566 64 VAL HG1 H 1.337 0.02 2 567 64 VAL HG2 H 1.055 0.02 2 568 64 VAL CG1 C 25.358 0.1 1 569 64 VAL CG2 C 18.261 0.1 1 570 64 VAL C C 173.974 0.1 1 571 65 PRO CD C 51.511 0.1 1 572 65 PRO CA C 63.403 0.1 1 573 65 PRO HA H 3.724 0.02 1 574 65 PRO CB C 32.245 0.1 1 575 65 PRO HB2 H 1.640 0.02 2 576 65 PRO HB3 H 1.905 0.02 2 577 65 PRO CG C 27.948 0.1 1 578 65 PRO HG2 H 2.053 0.02 2 579 65 PRO HG3 H 1.777 0.02 2 580 65 PRO HD2 H 3.717 0.02 2 581 65 PRO HD3 H 4.052 0.02 2 582 65 PRO C C 176.173 0.1 1 583 66 SER N N 117.377 0.1 1 584 66 SER H H 8.134 0.02 1 585 66 SER CA C 57.290 0.1 1 586 66 SER HA H 4.405 0.02 1 587 66 SER CB C 65.351 0.1 1 588 66 SER HB2 H 3.730 0.02 2 589 66 SER HB3 H 3.172 0.02 2 590 66 SER HG H 4.807 0.02 1 591 66 SER C C 174.191 0.1 1 592 67 GLU N N 127.761 0.1 1 593 67 GLU H H 8.854 0.02 1 594 67 GLU CA C 59.881 0.1 1 595 67 GLU HA H 3.976 0.02 1 596 67 GLU CB C 29.505 0.1 1 597 67 GLU HB3 H 2.055 0.02 2 598 67 GLU CG C 36.520 0.1 1 599 67 GLU HG3 H 2.307 0.02 2 600 67 GLU C C 177.330 0.1 1 601 68 LYS N N 115.813 0.1 1 602 68 LYS H H 8.300 0.02 1 603 68 LYS CA C 55.929 0.1 1 604 68 LYS HA H 4.493 0.02 1 605 68 LYS CB C 33.192 0.1 1 606 68 LYS HB2 H 2.001 0.02 2 607 68 LYS HB3 H 1.722 0.02 2 608 68 LYS CG C 25.381 0.1 1 609 68 LYS HG3 H 1.379 0.02 2 610 68 LYS CD C 29.243 0.1 1 611 68 LYS HD3 H 1.685 0.02 2 612 68 LYS CE C 42.363 0.1 1 613 68 LYS HE3 H 2.993 0.02 2 614 68 LYS C C 176.661 0.1 1 615 69 GLY N N 108.538 0.1 1 616 69 GLY H H 7.883 0.02 1 617 69 GLY CA C 45.464 0.1 1 618 69 GLY HA2 H 4.213 0.02 2 619 69 GLY HA3 H 3.530 0.02 2 620 69 GLY C C 173.278 0.1 1 621 70 GLU N N 117.266 0.1 1 622 70 GLU H H 8.103 0.02 1 623 70 GLU CA C 56.573 0.1 1 624 70 GLU HA H 5.210 0.02 1 625 70 GLU CB C 33.775 0.1 1 626 70 GLU HB2 H 2.003 0.02 2 627 70 GLU HB3 H 1.653 0.02 2 628 70 GLU CG C 35.544 0.1 1 629 70 GLU HG2 H 2.174 0.02 2 630 70 GLU HG3 H 1.937 0.02 2 631 70 GLU C C 175.534 0.1 1 632 71 VAL N N 120.671 0.1 1 633 71 VAL H H 8.319 0.02 1 634 71 VAL CA C 61.304 0.1 1 635 71 VAL HA H 4.419 0.02 1 636 71 VAL CB C 35.480 0.1 1 637 71 VAL HB H 2.023 0.02 1 638 71 VAL HG1 H 0.955 0.02 2 639 71 VAL HG2 H 0.791 0.02 2 640 71 VAL CG1 C 21.821 0.1 1 641 71 VAL CG2 C 21.498 0.1 1 642 71 VAL C C 175.107 0.1 1 643 72 HIS N N 128.682 0.1 1 644 72 HIS H H 9.233 0.02 1 645 72 HIS CA C 56.259 0.1 1 646 72 HIS HA H 5.144 0.02 1 647 72 HIS CB C 29.749 0.1 1 648 72 HIS HB2 H 3.483 0.02 2 649 72 HIS HB3 H 3.304 0.02 2 650 72 HIS CD2 C 119.989 0.1 1 651 72 HIS CE1 C 137.632 0.1 1 652 72 HIS HD2 H 7.343 0.02 1 653 72 HIS HE1 H 8.318 0.02 1 654 72 HIS C C 174.499 0.1 1 655 73 GLY N N 111.645 0.1 1 656 73 GLY H H 8.789 0.02 1 657 73 GLY CA C 45.598 0.1 1 658 73 GLY HA2 H 3.428 0.02 2 659 73 GLY HA3 H 4.570 0.02 2 660 73 GLY C C 173.188 0.1 1 661 74 LYS N N 120.404 0.1 1 662 74 LYS H H 8.134 0.02 1 663 74 LYS CA C 53.295 0.1 1 664 74 LYS HA H 5.327 0.02 1 665 74 LYS CB C 37.366 0.1 1 666 74 LYS HB2 H 1.629 0.02 2 667 74 LYS HB3 H 1.303 0.02 2 668 74 LYS CG C 24.711 0.1 1 669 74 LYS HG2 H 1.494 0.02 2 670 74 LYS HG3 H 1.375 0.02 2 671 74 LYS CD C 29.514 0.1 1 672 74 LYS HD2 H 1.344 0.02 2 673 74 LYS HD3 H 1.828 0.02 2 674 74 LYS CE C 42.659 0.1 1 675 74 LYS HE2 H 2.961 0.02 2 676 74 LYS HE3 H 2.911 0.02 2 677 74 LYS C C 174.139 0.1 1 678 75 VAL N N 120.744 0.1 1 679 75 VAL H H 9.774 0.02 1 680 75 VAL CA C 60.611 0.1 1 681 75 VAL HA H 4.828 0.02 1 682 75 VAL CB C 34.039 0.1 1 683 75 VAL HB H 1.979 0.02 1 684 75 VAL HG1 H 0.748 0.02 2 685 75 VAL HG2 H 0.941 0.02 2 686 75 VAL CG1 C 23.416 0.1 1 687 75 VAL CG2 C 23.639 0.1 1 688 75 VAL C C 175.094 0.1 1 689 76 LEU N N 126.425 0.1 1 690 76 LEU H H 9.339 0.02 1 691 76 LEU CA C 53.505 0.1 1 692 76 LEU HA H 4.616 0.02 1 693 76 LEU CB C 42.331 0.1 1 694 76 LEU HB2 H 0.955 0.02 2 695 76 LEU HB3 H 1.940 0.02 2 696 76 LEU CG C 26.496 0.1 1 697 76 LEU HG H 1.744 0.02 1 698 76 LEU HD2 H 0.716 0.02 2 699 76 LEU CD2 C 23.836 0.1 1 700 76 LEU C C 175.769 0.1 1 701 77 MET N N 123.182 0.1 1 702 77 MET H H 8.593 0.02 1 703 77 MET CA C 53.998 0.1 1 704 77 MET HA H 5.144 0.02 1 705 77 MET CB C 32.896 0.1 1 706 77 MET HB2 H 2.027 0.02 2 707 77 MET HB3 H 1.918 0.02 2 708 77 MET CG C 32.509 0.1 1 709 77 MET HG2 H 2.313 0.02 2 710 77 MET HG3 H 2.443 0.02 2 711 77 MET HE H 1.994 0.02 1 712 77 MET CE C 16.966 0.1 1 713 77 MET C C 177.589 0.1 1 714 78 GLY N N 111.148 0.1 1 715 78 GLY H H 8.361 0.02 1 716 78 GLY CA C 48.765 0.1 1 717 78 GLY HA2 H 3.842 0.02 2 718 78 GLY HA3 H 3.664 0.02 2 719 78 GLY C C 174.574 0.1 1 720 79 VAL N N 122.582 0.1 1 721 79 VAL H H 9.161 0.02 1 722 79 VAL CA C 62.418 0.1 1 723 79 VAL HA H 4.097 0.02 1 724 79 VAL CB C 33.007 0.1 1 725 79 VAL HB H 2.080 0.02 1 726 79 VAL HG1 H 0.976 0.02 2 727 79 VAL HG2 H 0.748 0.02 2 728 79 VAL CG1 C 21.766 0.1 1 729 79 VAL CG2 C 22.166 0.1 1 730 79 VAL C C 176.954 0.1 1 731 80 THR N N 119.143 0.1 1 732 80 THR H H 9.451 0.02 1 733 80 THR CA C 61.838 0.1 1 734 80 THR HA H 4.867 0.02 1 735 80 THR CB C 71.180 0.1 1 736 80 THR HB H 4.880 0.02 1 737 80 THR HG2 H 1.289 0.02 1 738 80 THR CG2 C 21.821 0.1 1 739 80 THR C C 176.763 0.1 1 740 81 SER N N 116.603 0.1 1 741 81 SER H H 9.182 0.02 1 742 81 SER CA C 63.007 0.1 1 743 81 SER HA H 4.093 0.02 1 744 81 SER C C 176.502 0.1 1 745 82 ASP N N 121.192 0.1 1 746 82 ASP H H 8.367 0.02 1 747 82 ASP CA C 57.589 0.1 1 748 82 ASP HA H 4.381 0.02 1 749 82 ASP CB C 41.013 0.1 1 750 82 ASP HB2 H 2.637 0.02 2 751 82 ASP HB3 H 2.527 0.02 2 752 82 ASP C C 178.818 0.1 1 753 83 GLU N N 121.389 0.1 1 754 83 GLU H H 7.617 0.02 1 755 83 GLU CA C 59.259 0.1 1 756 83 GLU HA H 3.870 0.02 1 757 83 GLU CB C 30.480 0.1 1 758 83 GLU HB2 H 1.604 0.02 2 759 83 GLU HB3 H 2.520 0.02 2 760 83 GLU CG C 38.090 0.1 1 761 83 GLU HG2 H 2.334 0.02 2 762 83 GLU HG3 H 2.458 0.02 2 763 83 GLU C C 179.333 0.1 1 764 84 LEU N N 121.060 0.1 1 765 84 LEU H H 8.669 0.02 1 766 84 LEU CA C 57.936 0.1 1 767 84 LEU HA H 3.823 0.02 1 768 84 LEU CB C 42.350 0.1 1 769 84 LEU HB2 H 1.709 0.02 2 770 84 LEU HB3 H 1.131 0.02 2 771 84 LEU CG C 26.176 0.1 1 772 84 LEU HG H 1.445 0.02 1 773 84 LEU HD1 H 0.029 0.02 2 774 84 LEU HD2 H 0.528 0.02 2 775 84 LEU CD1 C 24.780 0.1 1 776 84 LEU CD2 C 24.387 0.1 1 777 84 LEU C C 177.809 0.1 1 778 85 GLU N N 116.986 0.1 1 779 85 GLU H H 7.609 0.02 1 780 85 GLU CA C 59.725 0.1 1 781 85 GLU HA H 4.036 0.02 1 782 85 GLU CB C 29.521 0.1 1 783 85 GLU HB3 H 2.113 0.02 2 784 85 GLU CG C 37.051 0.1 1 785 85 GLU HG2 H 2.257 0.02 2 786 85 GLU HG3 H 2.508 0.02 2 787 85 GLU C C 179.782 0.1 1 788 86 ASN N N 119.148 0.1 1 789 86 ASN H H 7.418 0.02 1 790 86 ASN CA C 56.265 0.1 1 791 86 ASN HA H 4.484 0.02 1 792 86 ASN CB C 37.917 0.1 1 793 86 ASN HB2 H 2.687 0.02 2 794 86 ASN HB3 H 3.015 0.02 2 795 86 ASN ND2 N 111.271 0.1 1 796 86 ASN HD21 H 6.813 0.02 2 797 86 ASN HD22 H 7.449 0.02 2 798 86 ASN C C 177.215 0.1 1 799 87 LEU N N 121.949 0.1 1 800 87 LEU H H 7.871 0.02 1 801 87 LEU CA C 58.796 0.1 1 802 87 LEU HA H 3.758 0.02 1 803 87 LEU CB C 41.054 0.1 1 804 87 LEU HB2 H 1.901 0.02 2 805 87 LEU HB3 H 1.494 0.02 2 806 87 LEU CG C 26.977 0.1 1 807 87 LEU HG H 1.524 0.02 1 808 87 LEU HD1 H 0.307 0.02 2 809 87 LEU HD2 H 0.521 0.02 2 810 87 LEU CD1 C 23.740 0.1 1 811 87 LEU CD2 C 25.007 0.1 1 812 87 LEU C C 178.772 0.1 1 813 88 ASP N N 118.528 0.1 1 814 88 ASP H H 8.780 0.02 1 815 88 ASP CA C 57.477 0.1 1 816 88 ASP HA H 4.151 0.02 1 817 88 ASP CB C 40.852 0.1 1 818 88 ASP HB2 H 2.631 0.02 2 819 88 ASP HB3 H 2.964 0.02 2 820 88 ASP C C 179.517 0.1 1 821 89 ALA N N 121.179 0.1 1 822 89 ALA H H 7.547 0.02 1 823 89 ALA CA C 54.711 0.1 1 824 89 ALA HA H 4.102 0.02 1 825 89 ALA HB H 1.532 0.02 1 826 89 ALA CB C 18.521 0.1 1 827 89 ALA C C 179.620 0.1 1 828 90 VAL N N 117.383 0.1 1 829 90 VAL H H 7.619 0.02 1 830 90 VAL CA C 65.473 0.1 1 831 90 VAL HA H 3.742 0.02 1 832 90 VAL CB C 32.480 0.1 1 833 90 VAL HB H 2.031 0.02 1 834 90 VAL HG1 H 0.772 0.02 2 835 90 VAL HG2 H 0.997 0.02 2 836 90 VAL CG1 C 21.821 0.1 1 837 90 VAL CG2 C 23.092 0.1 1 838 91 GLU N N 118.871 0.1 1 839 91 GLU H H 7.899 0.02 1 840 91 GLU CA C 58.052 0.1 1 841 91 GLU HA H 4.105 0.02 1 842 91 GLU CB C 28.595 0.1 1 843 91 GLU HB2 H 1.400 0.02 1 844 91 GLU HB3 H 1.400 0.02 1 845 91 GLU CG C 32.156 0.1 1 846 91 GLU HG2 H 0.205 0.02 2 847 91 GLU HG3 H 1.568 0.02 2 848 91 GLU C C 178.339 0.1 1 849 92 GLY N N 101.825 0.1 1 850 92 GLY H H 7.440 0.02 1 851 92 GLY CA C 45.834 0.1 1 852 92 GLY HA2 H 3.878 0.02 2 853 92 GLY HA3 H 4.242 0.02 2 854 92 GLY C C 175.526 0.1 1 855 93 ASN N N 114.464 0.1 1 856 93 ASN H H 8.256 0.02 1 857 93 ASN CA C 54.926 0.1 1 858 93 ASN HA H 4.669 0.02 1 859 93 ASN CB C 39.052 0.1 1 860 93 ASN HB2 H 2.864 0.02 2 861 93 ASN HB3 H 2.955 0.02 2 862 93 ASN ND2 N 111.675 0.1 1 863 93 ASN HD21 H 6.868 0.02 2 864 93 ASN HD22 H 7.573 0.02 2 865 93 ASN C C 177.055 0.1 1 866 94 GLU N N 117.675 0.1 1 867 94 GLU H H 8.659 0.02 1 868 94 GLU CA C 57.829 0.1 1 869 94 GLU HA H 3.768 0.02 1 870 94 GLU CB C 31.185 0.1 1 871 94 GLU HB2 H 0.734 0.02 2 872 94 GLU HB3 H 1.604 0.02 2 873 94 GLU CG C 37.983 0.1 1 874 94 GLU HG2 H 1.823 0.02 2 875 94 GLU HG3 H 2.194 0.02 2 876 94 GLU C C 175.037 0.1 1 877 95 TYR N N 114.288 0.1 1 878 95 TYR H H 7.404 0.02 1 879 95 TYR CA C 56.635 0.1 1 880 95 TYR HA H 5.378 0.02 1 881 95 TYR CB C 43.486 0.1 1 882 95 TYR HB2 H 3.037 0.02 2 883 95 TYR HB3 H 2.844 0.02 2 884 95 TYR CD1 C 134.201 0.1 1 885 95 TYR HD1 H 6.996 0.02 1 886 95 TYR CE1 C 118.678 0.1 1 887 95 TYR HE1 H 7.079 0.02 1 888 95 TYR HE2 H 7.079 0.02 1 889 95 TYR HD2 H 6.996 0.02 1 890 95 TYR C C 174.941 0.1 1 891 96 GLU N N 118.266 0.1 1 892 96 GLU H H 9.449 0.02 1 893 96 GLU CA C 54.031 0.1 1 894 96 GLU HA H 4.854 0.02 1 895 96 GLU CB C 32.918 0.1 1 896 96 GLU HB2 H 1.953 0.02 2 897 96 GLU HB3 H 1.853 0.02 2 898 96 GLU CG C 35.969 0.1 1 899 96 GLU HG3 H 2.190 0.02 2 900 96 GLU C C 174.926 0.1 1 901 97 ARG N N 127.022 0.1 1 902 97 ARG H H 8.915 0.02 1 903 97 ARG CA C 55.618 0.1 1 904 97 ARG HA H 4.893 0.02 1 905 97 ARG CB C 30.344 0.1 1 906 97 ARG HB2 H 1.387 0.02 2 907 97 ARG HB3 H 1.648 0.02 2 908 97 ARG CG C 27.003 0.1 1 909 97 ARG HG2 H 0.929 0.02 2 910 97 ARG HG3 H 1.254 0.02 2 911 97 ARG CD C 43.439 0.1 1 912 97 ARG HD2 H 2.825 0.02 2 913 97 ARG HD3 H 2.758 0.02 2 914 97 ARG C C 176.156 0.1 1 915 98 VAL N N 122.265 0.1 1 916 98 VAL H H 8.734 0.02 1 917 98 VAL CA C 59.522 0.1 1 918 98 VAL HA H 4.739 0.02 1 919 98 VAL CB C 36.112 0.1 1 920 98 VAL HB H 2.184 0.02 1 921 98 VAL HG1 H 0.915 0.02 2 922 98 VAL HG2 H 0.749 0.02 2 923 98 VAL CG1 C 21.676 0.1 1 924 98 VAL CG2 C 19.105 0.1 1 925 98 VAL C C 174.400 0.1 1 926 99 THR N N 118.766 0.1 1 927 99 THR H H 8.374 0.02 1 928 99 THR CA C 62.762 0.1 1 929 99 THR HA H 5.194 0.02 1 930 99 THR CB C 69.886 0.1 1 931 99 THR HB H 3.938 0.02 1 932 99 THR HG2 H 1.126 0.02 1 933 99 THR CG2 C 21.892 0.1 1 934 99 THR C C 174.710 0.1 1 935 100 VAL N N 120.607 0.1 1 936 100 VAL H H 9.308 0.02 1 937 100 VAL CA C 59.204 0.1 1 938 100 VAL HA H 4.677 0.02 1 939 100 VAL CB C 36.497 0.1 1 940 100 VAL HB H 1.963 0.02 1 941 100 VAL HG1 H 0.261 0.02 2 942 100 VAL HG2 H 0.555 0.02 2 943 100 VAL CG1 C 19.041 0.1 1 944 100 VAL CG2 C 23.112 0.1 1 945 100 VAL C C 174.091 0.1 1 946 101 GLY N N 108.224 0.1 1 947 101 GLY H H 8.336 0.02 1 948 101 GLY CA C 45.495 0.1 1 949 101 GLY HA2 H 4.957 0.02 2 950 101 GLY HA3 H 3.391 0.02 2 951 101 GLY C C 174.078 0.1 1 952 102 ILE N N 114.651 0.1 1 953 102 ILE H H 8.657 0.02 1 954 102 ILE CA C 57.266 0.1 1 955 102 ILE HA H 4.878 0.02 1 956 102 ILE CB C 42.802 0.1 1 957 102 ILE HB H 1.713 0.02 1 958 102 ILE HG2 H 0.176 0.02 1 959 102 ILE CG2 C 22.997 0.1 1 960 102 ILE CG1 C 27.948 0.1 1 961 102 ILE HG12 H 0.825 0.02 2 962 102 ILE HG13 H 1.473 0.02 2 963 102 ILE HD1 H 0.750 0.02 1 964 102 ILE CD1 C 16.318 0.1 1 965 102 ILE C C 176.258 0.1 1 966 103 VAL N N 120.716 0.1 1 967 103 VAL H H 8.869 0.02 1 968 103 VAL CA C 61.725 0.1 1 969 103 VAL HA H 4.451 0.02 1 970 103 VAL CB C 34.260 0.1 1 971 103 VAL HB H 1.871 0.02 1 972 103 VAL HG2 H 0.797 0.02 2 973 103 VAL CG2 C 20.874 0.1 1 974 103 VAL C C 177.016 0.1 1 975 104 ARG N N 129.455 0.1 1 976 104 ARG H H 9.096 0.02 1 977 104 ARG CA C 57.728 0.1 1 978 104 ARG HA H 4.199 0.02 1 979 104 ARG CB C 32.144 0.1 1 980 104 ARG HB2 H 2.526 0.02 2 981 104 ARG HB3 H 2.130 0.02 2 982 104 ARG CG C 28.919 0.1 1 983 104 ARG HG2 H 1.375 0.02 2 984 104 ARG HG3 H 1.713 0.02 2 985 104 ARG CD C 44.133 0.1 1 986 104 ARG HD3 H 3.420 0.02 2 987 104 ARG NE N 85.407 0.1 1 988 104 ARG HE H 8.838 0.02 1 989 104 ARG C C 178.087 0.1 1 990 105 GLU N N 122.470 0.1 1 991 105 GLU H H 8.519 0.02 1 992 105 GLU CA C 58.613 0.1 1 993 105 GLU HA H 4.156 0.02 1 994 105 GLU CB C 30.343 0.1 1 995 105 GLU HB2 H 1.745 0.02 2 996 105 GLU HB3 H 2.076 0.02 2 997 105 GLU CG C 37.366 0.1 1 998 105 GLU HG3 H 2.277 0.02 2 999 105 GLU C C 177.495 0.1 1 1000 106 ASP N N 116.972 0.1 1 1001 106 ASP H H 8.691 0.02 1 1002 106 ASP CA C 56.050 0.1 1 1003 106 ASP HA H 4.372 0.02 1 1004 106 ASP CB C 39.343 0.1 1 1005 106 ASP HB2 H 2.757 0.02 2 1006 106 ASP HB3 H 2.874 0.02 2 1007 106 ASP C C 178.547 0.1 1 1008 107 ASN N N 117.482 0.1 1 1009 107 ASN H H 8.318 0.02 1 1010 107 ASN CA C 52.107 0.1 1 1011 107 ASN HA H 4.802 0.02 1 1012 107 ASN CB C 39.154 0.1 1 1013 107 ASN HB2 H 3.209 0.02 2 1014 107 ASN HB3 H 2.602 0.02 2 1015 107 ASN ND2 N 107.160 0.1 1 1016 107 ASN HD21 H 7.223 0.02 2 1017 107 ASN HD22 H 6.391 0.02 2 1018 107 ASN C C 176.532 0.1 1 1019 108 SER N N 110.815 0.1 1 1020 108 SER H H 7.650 0.02 1 1021 108 SER CA C 60.629 0.1 1 1022 108 SER HA H 4.320 0.02 1 1023 108 SER CB C 62.504 0.1 1 1024 108 SER HB3 H 4.095 0.02 2 1025 108 SER C C 173.306 0.1 1 1026 109 GLU N N 120.372 0.1 1 1027 109 GLU H H 8.051 0.02 1 1028 109 GLU CA C 56.935 0.1 1 1029 109 GLU HA H 4.242 0.02 1 1030 109 GLU CB C 31.159 0.1 1 1031 109 GLU HB2 H 1.891 0.02 2 1032 109 GLU HB3 H 1.972 0.02 2 1033 109 GLU CG C 36.734 0.1 1 1034 109 GLU HG2 H 2.157 0.02 2 1035 109 GLU HG3 H 1.904 0.02 2 1036 109 GLU C C 176.246 0.1 1 1037 110 LYS N N 122.692 0.1 1 1038 110 LYS H H 8.497 0.02 1 1039 110 LYS CA C 55.727 0.1 1 1040 110 LYS HA H 5.194 0.02 1 1041 110 LYS CB C 33.377 0.1 1 1042 110 LYS HB2 H 1.676 0.02 2 1043 110 LYS HB3 H 1.838 0.02 2 1044 110 LYS CG C 25.682 0.1 1 1045 110 LYS HG2 H 1.359 0.02 2 1046 110 LYS HG3 H 1.565 0.02 2 1047 110 LYS CD C 29.510 0.1 1 1048 110 LYS HD3 H 1.660 0.02 2 1049 110 LYS CE C 42.403 0.1 1 1050 110 LYS HE3 H 2.932 0.02 2 1051 110 LYS C C 177.606 0.1 1 1052 111 MET N N 119.933 0.1 1 1053 111 MET H H 8.315 0.02 1 1054 111 MET CA C 55.355 0.1 1 1055 111 MET HA H 4.625 0.02 1 1056 111 MET CB C 38.525 0.1 1 1057 111 MET HB2 H 1.681 0.02 2 1058 111 MET HB3 H 2.032 0.02 2 1059 111 MET CG C 31.280 0.1 1 1060 111 MET HG2 H 2.215 0.02 2 1061 111 MET HG3 H 2.492 0.02 2 1062 111 MET HE H 1.893 0.02 1 1063 111 MET CE C 16.990 0.1 1 1064 111 MET C C 173.573 0.1 1 1065 112 ALA N N 127.404 0.1 1 1066 112 ALA H H 8.606 0.02 1 1067 112 ALA CA C 51.550 0.1 1 1068 112 ALA HA H 5.196 0.02 1 1069 112 ALA HB H 1.264 0.02 1 1070 112 ALA CB C 19.100 0.1 1 1071 112 ALA C C 177.694 0.1 1 1072 113 VAL N N 117.177 0.1 1 1073 113 VAL H H 9.341 0.02 1 1074 113 VAL CA C 58.989 0.1 1 1075 113 VAL HA H 4.965 0.02 1 1076 113 VAL CB C 35.863 0.1 1 1077 113 VAL HB H 2.226 0.02 1 1078 113 VAL HG1 H 0.684 0.02 2 1079 113 VAL HG2 H 0.828 0.02 2 1080 113 VAL CG1 C 21.665 0.1 1 1081 113 VAL CG2 C 23.416 0.1 1 1082 113 VAL C C 173.966 0.1 1 1083 114 LYS N N 117.366 0.1 1 1084 114 LYS H H 8.463 0.02 1 1085 114 LYS CA C 54.949 0.1 1 1086 114 LYS HA H 5.444 0.02 1 1087 114 LYS CB C 35.299 0.1 1 1088 114 LYS HB2 H 1.395 0.02 2 1089 114 LYS HB3 H 1.625 0.02 2 1090 114 LYS CD C 29.890 0.1 1 1091 114 LYS HD2 H 1.396 0.02 2 1092 114 LYS HD3 H 1.596 0.02 2 1093 114 LYS CE C 42.446 0.1 1 1094 114 LYS HE3 H 2.897 0.02 2 1095 114 LYS C C 176.530 0.1 1 1096 115 THR N N 114.911 0.1 1 1097 115 THR H H 9.021 0.02 1 1098 115 THR CA C 62.178 0.1 1 1099 115 THR HA H 4.493 0.02 1 1100 115 THR CB C 70.344 0.1 1 1101 115 THR HB H 4.106 0.02 1 1102 115 THR HG2 H 0.675 0.02 1 1103 115 THR HG1 H 5.345 0.02 1 1104 115 THR CG2 C 19.232 0.1 1 1105 115 THR C C 170.540 0.1 1 1106 116 TYR N N 121.567 0.1 1 1107 116 TYR H H 8.233 0.02 1 1108 116 TYR CA C 58.517 0.1 1 1109 116 TYR HA H 4.992 0.02 1 1110 116 TYR CB C 39.601 0.1 1 1111 116 TYR HB3 H 2.507 0.02 2 1112 116 TYR CD1 C 132.814 0.1 1 1113 116 TYR HD1 H 6.848 0.02 1 1114 116 TYR CE1 C 116.917 0.1 1 1115 116 TYR HE1 H 6.573 0.02 1 1116 116 TYR HE2 H 6.573 0.02 1 1117 116 TYR HD2 H 6.848 0.02 1 1118 116 TYR C C 175.117 0.1 1 1119 117 MET N N 126.163 0.1 1 1120 117 MET H H 9.774 0.02 1 1121 117 MET CA C 53.988 0.1 1 1122 117 MET HA H 5.242 0.02 1 1123 117 MET CB C 37.170 0.1 1 1124 117 MET HB3 H 2.158 0.02 2 1125 117 MET CG C 31.361 0.1 1 1126 117 MET HG2 H 2.687 0.02 2 1127 117 MET HG3 H 2.939 0.02 2 1128 117 MET HE H 2.117 0.02 1 1129 117 MET CE C 17.937 0.1 1 1130 117 MET C C 174.577 0.1 1 1131 118 TRP N N 128.349 0.1 1 1132 118 TRP H H 8.795 0.02 1 1133 118 TRP CA C 57.405 0.1 1 1134 118 TRP HA H 4.754 0.02 1 1135 118 TRP CB C 33.451 0.1 1 1136 118 TRP HB2 H 2.962 0.02 2 1137 118 TRP HB3 H 3.334 0.02 2 1138 118 TRP CD1 C 128.574 0.1 1 1139 118 TRP CE3 C 119.545 0.1 1 1140 118 TRP NE1 N 130.452 0.1 1 1141 118 TRP HD1 H 7.519 0.02 1 1142 118 TRP HE3 H 6.994 0.02 1 1143 118 TRP CZ3 C 123.099 0.1 1 1144 118 TRP CZ2 C 115.035 0.1 1 1145 118 TRP HE1 H 11.209 0.02 1 1146 118 TRP HZ3 H 6.488 0.02 1 1147 118 TRP CH2 C 125.733 0.1 1 1148 118 TRP HZ2 H 7.300 0.02 1 1149 118 TRP HH2 H 6.981 0.02 1 1150 118 TRP C C 177.074 0.1 1 1151 119 ILE N N 125.303 0.1 1 1152 119 ILE H H 7.606 0.02 1 1153 119 ILE CA C 65.150 0.1 1 1154 119 ILE HA H 3.674 0.02 1 1155 119 ILE CB C 38.630 0.1 1 1156 119 ILE HB H 1.281 0.02 1 1157 119 ILE HG2 H 0.731 0.02 1 1158 119 ILE CG2 C 17.290 0.1 1 1159 119 ILE CG1 C 30.537 0.1 1 1160 119 ILE HG12 H 1.336 0.02 2 1161 119 ILE HG13 H 0.830 0.02 2 1162 119 ILE HD1 H 0.672 0.02 1 1163 119 ILE CD1 C 14.053 0.1 1 1164 119 ILE C C 177.060 0.1 1 1165 120 ASN N N 115.918 0.1 1 1166 120 ASN H H 7.282 0.02 1 1167 120 ASN CA C 52.038 0.1 1 1168 120 ASN HA H 4.758 0.02 1 1169 120 ASN CB C 37.487 0.1 1 1170 120 ASN HB2 H 2.546 0.02 2 1171 120 ASN HB3 H 3.016 0.02 2 1172 120 ASN ND2 N 110.284 0.1 1 1173 120 ASN HD21 H 7.065 0.02 2 1174 120 ASN HD22 H 7.722 0.02 2 1175 120 ASN C C 175.408 0.1 1 1176 121 LYS N N 123.276 0.1 1 1177 121 LYS H H 8.249 0.02 1 1178 121 LYS CA C 58.208 0.1 1 1179 121 LYS HA H 4.112 0.02 1 1180 121 LYS CB C 31.705 0.1 1 1181 121 LYS HB2 H 1.875 0.02 2 1182 121 LYS HB3 H 2.065 0.02 2 1183 121 LYS CG C 25.035 0.1 1 1184 121 LYS HG3 H 1.665 0.02 2 1185 121 LYS CD C 29.031 0.1 1 1186 121 LYS HD3 H 1.833 0.02 2 1187 121 LYS CE C 42.560 0.1 1 1188 121 LYS HE2 H 3.160 0.02 2 1189 121 LYS HE3 H 3.227 0.02 2 1190 121 LYS C C 175.510 0.1 1 1191 122 ALA N N 120.916 0.1 1 1192 122 ALA H H 7.858 0.02 1 1193 122 ALA CA C 50.802 0.1 1 1194 122 ALA HA H 4.580 0.02 1 1195 122 ALA HB H 1.367 0.02 1 1196 122 ALA CB C 19.169 0.1 1 1197 122 ALA C C 176.848 0.1 1 1198 123 ASP N N 122.303 0.1 1 1199 123 ASP H H 7.166 0.02 1 1200 123 ASP CA C 53.197 0.1 1 1201 123 ASP HA H 4.523 0.02 1 1202 123 ASP CB C 42.838 0.1 1 1203 123 ASP HB3 H 3.097 0.02 2 1204 123 ASP C C 176.298 0.1 1 1205 124 PRO CD C 51.578 0.1 1 1206 124 PRO CA C 64.280 0.1 1 1207 124 PRO HA H 4.475 0.02 1 1208 124 PRO CB C 32.230 0.1 1 1209 124 PRO HB2 H 2.071 0.02 2 1210 124 PRO HB3 H 2.319 0.02 2 1211 124 PRO CG C 27.320 0.1 1 1212 124 PRO HG3 H 2.051 0.02 2 1213 124 PRO HD3 H 4.030 0.02 2 1214 124 PRO C C 177.232 0.1 1 1215 125 ASP N N 118.949 0.1 1 1216 125 ASP H H 8.811 0.02 1 1217 125 ASP CA C 55.364 0.1 1 1218 125 ASP HA H 4.528 0.02 1 1219 125 ASP CB C 40.977 0.1 1 1220 125 ASP HB2 H 2.687 0.02 2 1221 125 ASP HB3 H 2.840 0.02 2 1222 125 ASP C C 176.714 0.1 1 1223 126 MET N N 120.095 0.1 1 1224 126 MET H H 7.303 0.02 1 1225 126 MET CA C 55.980 0.1 1 1226 126 MET HA H 4.747 0.02 1 1227 126 MET CB C 33.775 0.1 1 1228 126 MET HB2 H 1.321 0.02 2 1229 126 MET HB3 H 1.639 0.02 2 1230 126 MET CG C 31.832 0.1 1 1231 126 MET HG2 H 1.696 0.02 2 1232 126 MET HG3 H 2.032 0.02 2 1233 126 MET HE H 1.915 0.02 1 1234 126 MET CE C 16.990 0.1 1 1235 126 MET C C 175.435 0.1 1 1236 127 PHE H H 7.142 0.02 1 1237 127 PHE CA C 58.010 0.1 1 1238 127 PHE HA H 4.740 0.02 1 1239 127 PHE CB C 41.167 0.1 1 1240 127 PHE HB3 H 3.069 0.02 2 1241 127 PHE CD1 C 132.309 0.1 1 1242 127 PHE HD1 H 7.166 0.02 1 1243 127 PHE HD2 H 7.166 0.02 1 1244 127 PHE C C 174.074 0.1 1 1245 128 GLY N N 108.957 0.1 1 1246 128 GLY H H 8.602 0.02 1 1247 128 GLY CA C 45.104 0.1 1 1248 128 GLY HA2 H 3.931 0.02 1 1249 128 GLY HA3 H 3.931 0.02 1 1250 128 GLY C C 172.725 0.1 1 1251 129 GLU N N 118.259 0.1 1 1252 129 GLU H H 8.189 0.02 1 1253 129 GLU CA C 55.960 0.1 1 1254 129 GLU HA H 4.622 0.02 1 1255 129 GLU CB C 32.027 0.1 1 1256 129 GLU HB3 H 2.026 0.02 2 1257 129 GLU CG C 36.559 0.1 1 1258 129 GLU HG3 H 2.338 0.02 2 1259 129 GLU C C 175.862 0.1 1 1260 130 TRP N N 127.210 0.1 1 1261 130 TRP H H 9.306 0.02 1 1262 130 TRP CA C 58.836 0.1 1 1263 130 TRP HA H 4.587 0.02 1 1264 130 TRP CB C 31.509 0.1 1 1265 130 TRP HB2 H 2.722 0.02 2 1266 130 TRP HB3 H 3.086 0.02 2 1267 130 TRP CD1 C 128.001 0.1 1 1268 130 TRP NE1 N 131.115 0.1 1 1269 130 TRP HD1 H 7.228 0.02 1 1270 130 TRP CZ3 C 123.033 0.1 1 1271 130 TRP CZ2 C 114.834 0.1 1 1272 130 TRP HE1 H 10.332 0.02 1 1273 130 TRP HZ3 H 6.374 0.02 1 1274 130 TRP HZ2 H 6.863 0.02 1 1275 130 TRP HH2 H 6.384 0.02 1 1276 130 TRP C C 174.077 0.1 1 1277 131 ASN N N 125.433 0.1 1 1278 131 ASN H H 7.874 0.02 1 1279 131 ASN HB2 H 2.632 0.02 2 1280 131 ASN HB3 H 2.744 0.02 2 1281 131 ASN ND2 N 113.764 0.1 1 1282 131 ASN HD21 H 7.127 0.02 2 1283 131 ASN HD22 H 7.775 0.02 2 1284 132 PHE H H 6.924 0.02 1 1285 132 PHE CA C 60.320 0.1 1 1286 132 PHE HA H 3.707 0.02 1 1287 132 PHE CB C 40.088 0.1 1 1288 132 PHE HB2 H 3.127 0.02 2 1289 132 PHE HB3 H 3.386 0.02 2 1290 132 PHE CD1 C 131.856 0.1 1 1291 132 PHE HD1 H 7.345 0.02 1 1292 132 PHE HD2 H 7.345 0.02 1 1293 132 PHE C C 176.258 0.1 1 1294 133 GLU N N 118.928 0.1 1 1295 133 GLU H H 8.326 0.02 1 1296 133 GLU CA C 60.357 0.1 1 1297 133 GLU HA H 3.738 0.02 1 1298 133 GLU CB C 28.595 0.1 1 1299 133 GLU HB2 H 2.179 0.02 2 1300 133 GLU HB3 H 2.050 0.02 2 1301 133 GLU CG C 36.868 0.1 1 1302 133 GLU HG2 H 2.420 0.02 2 1303 133 GLU HG3 H 2.443 0.02 2 1304 133 GLU C C 179.659 0.1 1 1305 134 GLU N N 121.273 0.1 1 1306 134 GLU H H 7.958 0.02 1 1307 134 GLU CA C 59.023 0.1 1 1308 134 GLU HA H 3.929 0.02 1 1309 134 GLU CB C 30.383 0.1 1 1310 134 GLU HB3 H 1.897 0.02 2 1311 134 GLU CG C 36.688 0.1 1 1312 134 GLU HG2 H 2.048 0.02 2 1313 134 GLU HG3 H 2.161 0.02 2 1314 134 GLU C C 177.527 0.1 1 1315 135 TRP N N 120.291 0.1 1 1316 135 TRP H H 7.631 0.02 1 1317 135 TRP CA C 62.908 0.1 1 1318 135 TRP HA H 3.908 0.02 1 1319 135 TRP CB C 28.272 0.1 1 1320 135 TRP HB2 H 2.874 0.02 2 1321 135 TRP HB3 H 3.224 0.02 2 1322 135 TRP CD1 C 126.927 0.1 1 1323 135 TRP CE3 C 119.042 0.1 1 1324 135 TRP HD1 H 7.307 0.02 1 1325 135 TRP HE3 H 7.082 0.02 1 1326 135 TRP CZ2 C 113.194 0.1 1 1327 135 TRP CH2 C 123.630 0.1 1 1328 135 TRP HZ2 H 6.864 0.02 1 1329 135 TRP HH2 H 7.001 0.02 1 1330 135 TRP C C 178.130 0.1 1 1331 136 LYS N N 119.386 0.1 1 1332 136 LYS H H 8.391 0.02 1 1333 136 LYS CB C 32.579 0.1 1 1334 136 LYS HB3 H 1.578 0.02 2 1335 136 LYS HG3 H 1.213 0.02 2 1336 136 LYS CE C 41.771 0.1 1 1337 136 LYS HE3 H 2.693 0.02 2 1338 136 LYS C C 178.036 0.1 1 1339 137 ARG N N 117.342 0.1 1 1340 137 ARG H H 7.475 0.02 1 1341 137 ARG CA C 59.215 0.1 1 1342 137 ARG HA H 3.890 0.02 1 1343 137 ARG CB C 31.651 0.1 1 1344 137 ARG HB3 H 1.759 0.02 2 1345 137 ARG CG C 28.038 0.1 1 1346 137 ARG HG2 H 1.593 0.02 2 1347 137 ARG HG3 H 1.430 0.02 2 1348 137 ARG CD C 43.486 0.1 1 1349 137 ARG HD2 H 3.120 0.02 2 1350 137 ARG HD3 H 3.211 0.02 2 1351 137 ARG C C 177.974 0.1 1 1352 138 LEU N N 115.043 0.1 1 1353 138 LEU H H 7.751 0.02 1 1354 138 LEU CA C 56.723 0.1 1 1355 138 LEU HA H 4.103 0.02 1 1356 138 LEU CB C 42.984 0.1 1 1357 138 LEU HB2 H 0.894 0.02 2 1358 138 LEU HB3 H 0.405 0.02 2 1359 138 LEU CG C 26.977 0.1 1 1360 138 LEU HG H 1.395 0.02 1 1361 138 LEU HD1 H 0.683 0.02 2 1362 138 LEU HD2 H 0.733 0.02 2 1363 138 LEU CD1 C 22.302 0.1 1 1364 138 LEU CD2 C 25.682 0.1 1 1365 138 LEU C C 179.280 0.1 1 1366 139 HIS N N 115.622 0.1 1 1367 139 HIS H H 8.025 0.02 1 1368 139 HIS CA C 56.750 0.1 1 1369 139 HIS HA H 5.009 0.02 1 1370 139 HIS CB C 34.174 0.1 1 1371 139 HIS HB2 H 2.261 0.02 2 1372 139 HIS HB3 H 3.187 0.02 2 1373 139 HIS C C 175.926 0.1 1 1374 140 LYS N N 122.165 0.1 1 1375 140 LYS H H 6.613 0.02 1 1376 140 LYS CA C 60.642 0.1 1 1377 140 LYS HA H 3.304 0.02 1 1378 140 LYS CB C 33.127 0.1 1 1379 140 LYS HB3 H 1.590 0.02 2 1380 140 LYS HG3 H 1.425 0.02 2 1381 140 LYS HD3 H 1.972 0.02 2 1382 140 LYS HE3 H 2.992 0.02 2 1383 140 LYS C C 176.857 0.1 1 1384 141 LYS N N 117.989 0.1 1 1385 141 LYS H H 8.179 0.02 1 1386 141 LYS CA C 60.751 0.1 1 1387 141 LYS HA H 3.907 0.02 1 1388 141 LYS CB C 32.217 0.1 1 1389 141 LYS HB3 H 1.768 0.02 2 1390 141 LYS CG C 25.483 0.1 1 1391 141 LYS HG3 H 1.337 0.02 2 1392 141 LYS CD C 29.691 0.1 1 1393 141 LYS HD2 H 1.644 0.02 2 1394 141 LYS HD3 H 1.686 0.02 2 1395 141 LYS CE C 42.467 0.1 1 1396 141 LYS HE3 H 2.997 0.02 2 1397 141 LYS C C 179.005 0.1 1 1398 142 LYS N N 119.210 0.1 1 1399 142 LYS H H 7.951 0.02 1 1400 142 LYS CA C 58.798 0.1 1 1401 142 LYS HA H 4.218 0.02 1 1402 142 LYS CB C 32.294 0.1 1 1403 142 LYS HB3 H 2.058 0.02 2 1404 142 LYS CG C 25.043 0.1 1 1405 142 LYS HG3 H 1.524 0.02 2 1406 142 LYS CE C 42.498 0.1 1 1407 142 LYS HE3 H 3.046 0.02 2 1408 142 LYS C C 179.693 0.1 1 1409 143 PHE N N 122.602 0.1 1 1410 143 PHE H H 8.643 0.02 1 1411 143 PHE CA C 62.908 0.1 1 1412 143 PHE HA H 4.107 0.02 1 1413 143 PHE CB C 39.419 0.1 1 1414 143 PHE HB2 H 3.089 0.02 2 1415 143 PHE HB3 H 3.718 0.02 2 1416 143 PHE CD1 C 132.405 0.1 1 1417 143 PHE HD1 H 7.654 0.02 1 1418 143 PHE HD2 H 7.654 0.02 1 1419 143 PHE C C 177.195 0.1 1 1420 144 ILE N N 119.207 0.1 1 1421 144 ILE H H 8.740 0.02 1 1422 144 ILE CA C 66.880 0.1 1 1423 144 ILE HA H 3.682 0.02 1 1424 144 ILE CB C 37.623 0.1 1 1425 144 ILE HB H 2.113 0.02 1 1426 144 ILE HG2 H 1.007 0.02 1 1427 144 ILE CG2 C 17.290 0.1 1 1428 144 ILE CG1 C 31.185 0.1 1 1429 144 ILE HG12 H 1.223 0.02 2 1430 144 ILE HG13 H 2.005 0.02 2 1431 144 ILE HD1 H 0.903 0.02 1 1432 144 ILE CD1 C 14.053 0.1 1 1433 144 ILE C C 177.619 0.1 1 1434 145 GLU N N 118.181 0.1 1 1435 145 GLU H H 8.063 0.02 1 1436 145 GLU CA C 60.005 0.1 1 1437 145 GLU HA H 4.018 0.02 1 1438 145 GLU CB C 29.700 0.1 1 1439 145 GLU HB3 H 2.143 0.02 2 1440 145 GLU CG C 36.591 0.1 1 1441 145 GLU HG2 H 2.332 0.02 2 1442 145 GLU HG3 H 2.490 0.02 2 1443 145 GLU C C 179.678 0.1 1 1444 146 THR N N 115.598 0.1 1 1445 146 THR H H 8.058 0.02 1 1446 146 THR CA C 66.650 0.1 1 1447 146 THR HA H 3.998 0.02 1 1448 146 THR CB C 69.358 0.1 1 1449 146 THR HB H 4.193 0.02 1 1450 146 THR HG2 H 1.192 0.02 1 1451 146 THR CG2 C 21.434 0.1 1 1452 146 THR C C 176.393 0.1 1 1453 147 PHE N N 122.988 0.1 1 1454 147 PHE H H 8.888 0.02 1 1455 147 PHE CA C 59.879 0.1 1 1456 147 PHE HA H 4.364 0.02 1 1457 147 PHE CB C 38.650 0.1 1 1458 147 PHE HB2 H 2.965 0.02 2 1459 147 PHE HB3 H 2.867 0.02 2 1460 147 PHE CD1 C 130.893 0.1 1 1461 147 PHE HD1 H 6.961 0.02 1 1462 147 PHE CE1 C 130.901 0.1 1 1463 147 PHE HE1 H 7.297 0.02 1 1464 147 PHE CZ C 130.171 0.1 1 1465 147 PHE HZ H 6.954 0.02 1 1466 147 PHE HE2 H 7.297 0.02 1 1467 147 PHE HD2 H 6.961 0.02 1 1468 147 PHE C C 177.939 0.1 1 1469 148 LYS N N 119.723 0.1 1 1470 148 LYS H H 8.681 0.02 1 1471 148 LYS CA C 60.471 0.1 1 1472 148 LYS HA H 3.852 0.02 1 1473 148 LYS CB C 32.807 0.1 1 1474 148 LYS HB3 H 1.908 0.02 2 1475 148 LYS CG C 26.488 0.1 1 1476 148 LYS HG3 H 1.495 0.02 2 1477 148 LYS CD C 30.172 0.1 1 1478 148 LYS HD3 H 1.706 0.02 2 1479 148 LYS CE C 42.346 0.1 1 1480 148 LYS HE3 H 3.013 0.02 2 1481 148 LYS C C 179.043 0.1 1 1482 149 LYS N N 118.844 0.1 1 1483 149 LYS H H 7.376 0.02 1 1484 149 LYS C C 179.372 0.1 1 1485 150 ILE N N 120.783 0.1 1 1486 150 ILE H H 7.971 0.02 1 1487 150 ILE CA C 65.630 0.1 1 1488 150 ILE HA H 3.791 0.02 1 1489 150 ILE CB C 38.573 0.1 1 1490 150 ILE HB H 1.935 0.02 1 1491 150 ILE HG2 H 0.886 0.02 1 1492 150 ILE CG2 C 17.127 0.1 1 1493 150 ILE CG1 C 29.243 0.1 1 1494 150 ILE HG12 H 1.175 0.02 2 1495 150 ILE HG13 H 1.807 0.02 2 1496 150 ILE HD1 H 0.872 0.02 1 1497 150 ILE CD1 C 13.810 0.1 1 1498 150 ILE C C 178.956 0.1 1 1499 151 MET N N 117.876 0.1 1 1500 151 MET H H 8.216 0.02 1 1501 151 MET CA C 56.716 0.1 1 1502 151 MET HA H 4.375 0.02 1 1503 151 MET CB C 31.398 0.1 1 1504 151 MET HB3 H 2.038 0.02 2 1505 151 MET CG C 32.306 0.1 1 1506 151 MET HG2 H 2.312 0.02 2 1507 151 MET HG3 H 2.617 0.02 2 1508 151 MET C C 179.250 0.1 1 1509 152 GLU N N 120.657 0.1 1 1510 152 GLU H H 8.117 0.02 1 1511 152 GLU CA C 59.311 0.1 1 1512 152 GLU HA H 4.095 0.02 1 1513 152 GLU CB C 29.505 0.1 1 1514 152 GLU HB3 H 2.188 0.02 2 1515 152 GLU CG C 36.635 0.1 1 1516 152 GLU HG2 H 2.301 0.02 2 1517 152 GLU HG3 H 2.477 0.02 2 1518 152 GLU C C 178.895 0.1 1 1519 153 CYS N N 116.765 0.1 1 1520 153 CYS H H 7.888 0.02 1 1521 153 CYS CA C 61.674 0.1 1 1522 153 CYS HA H 4.318 0.02 1 1523 153 CYS CB C 27.504 0.1 1 1524 153 CYS HB3 H 3.048 0.02 2 1525 153 CYS C C 175.979 0.1 1 1526 154 LYS N N 120.025 0.1 1 1527 154 LYS H H 7.838 0.02 1 1528 154 LYS CA C 58.143 0.1 1 1529 154 LYS HA H 4.214 0.02 1 1530 154 LYS CB C 32.770 0.1 1 1531 154 LYS HB3 H 1.925 0.02 2 1532 154 LYS CG C 25.282 0.1 1 1533 154 LYS HG3 H 1.537 0.02 2 1534 154 LYS CD C 29.409 0.1 1 1535 154 LYS HD3 H 1.693 0.02 2 1536 154 LYS CE C 42.439 0.1 1 1537 154 LYS HE3 H 2.979 0.02 2 1538 154 LYS C C 177.337 0.1 1 1539 155 LYS N N 118.388 0.1 1 1540 155 LYS H H 7.737 0.02 1 1541 155 LYS CA C 57.187 0.1 1 1542 155 LYS HA H 4.266 0.02 1 1543 155 LYS CB C 33.317 0.1 1 1544 155 LYS HB2 H 1.792 0.02 2 1545 155 LYS HB3 H 1.897 0.02 2 1546 155 LYS CG C 25.837 0.1 1 1547 155 LYS HG3 H 1.459 0.02 2 1548 155 LYS CD C 29.688 0.1 1 1549 155 LYS HD3 H 1.664 0.02 2 1550 155 LYS CE C 42.376 0.1 1 1551 155 LYS HE3 H 2.977 0.02 2 1552 155 LYS C C 176.633 0.1 1 1553 156 LYS N N 122.006 0.1 1 1554 156 LYS H H 7.899 0.02 1 1555 156 LYS C C 174.174 0.1 1 1556 157 PRO CD C 50.828 0.1 1 1557 157 PRO CA C 63.985 0.1 1 1558 157 PRO HA H 4.451 0.02 1 1559 157 PRO CB C 32.297 0.1 1 1560 157 PRO HB2 H 1.921 0.02 2 1561 157 PRO HB3 H 2.318 0.02 2 1562 157 PRO CG C 28.080 0.1 1 1563 157 PRO HG3 H 2.033 0.02 2 1564 157 PRO HD2 H 3.759 0.02 2 1565 157 PRO HD3 H 3.625 0.02 2 1566 157 PRO C C 177.438 0.1 1 1567 158 GLN N N 120.496 0.1 1 1568 158 GLN H H 8.577 0.02 1 1569 158 GLN CA C 56.501 0.1 1 1570 158 GLN HA H 4.367 0.02 1 1571 158 GLN CB C 29.812 0.1 1 1572 158 GLN HB2 H 2.036 0.02 2 1573 158 GLN HB3 H 2.154 0.02 2 1574 158 GLN CG C 34.230 0.1 1 1575 158 GLN HG2 H 2.227 0.02 2 1576 158 GLN HG3 H 2.433 0.02 2 1577 158 GLN C C 176.726 0.1 1 1578 159 GLY N N 110.270 0.1 1 1579 159 GLY H H 8.481 0.02 1 1580 159 GLY CA C 45.637 0.1 1 1581 159 GLY HA2 H 4.004 0.02 2 1582 159 GLY HA3 H 3.804 0.02 2 1583 159 GLY C C 174.304 0.1 1 1584 160 GLN N N 119.855 0.1 1 1585 160 GLN H H 8.374 0.02 1 1586 160 GLN CA C 56.276 0.1 1 1587 160 GLN HA H 4.394 0.02 1 1588 160 GLN CB C 29.904 0.1 1 1589 160 GLN HB2 H 2.004 0.02 2 1590 160 GLN HB3 H 2.179 0.02 2 1591 160 GLN CG C 34.286 0.1 1 1592 160 GLN HG2 H 2.359 0.02 2 1593 160 GLN HG3 H 2.378 0.02 2 1594 160 GLN C C 176.547 0.1 1 1595 161 GLY N N 110.177 0.1 1 1596 161 GLY H H 8.537 0.02 1 1597 161 GLY CA C 45.878 0.1 1 1598 161 GLY HA3 H 3.974 0.02 2 1599 161 GLY C C 173.989 0.1 1 1600 162 ASN N N 118.851 0.1 1 1601 162 ASN H H 8.368 0.02 1 1602 162 ASN CA C 53.638 0.1 1 1603 162 ASN HA H 4.714 0.02 1 1604 162 ASN CB C 39.401 0.1 1 1605 162 ASN HB3 H 2.690 0.02 2 1606 162 ASN C C 174.991 0.1 1 1607 163 ASP N N 120.695 0.1 1 1608 163 ASP H H 8.368 0.02 1 1609 163 ASP CA C 54.741 0.1 1 1610 163 ASP HA H 4.656 0.02 1 1611 163 ASP CB C 41.774 0.1 1 1612 163 ASP HB3 H 2.625 0.02 2 1613 163 ASP C C 175.490 0.1 1 1614 164 ASP N N 119.610 0.1 1 1615 164 ASP H H 8.239 0.02 1 1616 164 ASP C C 177.166 0.1 1 1617 165 ILE HA H 4.073 0.02 1 1618 165 ILE CB C 38.630 0.1 1 1619 165 ILE HB H 1.866 0.02 1 1620 165 ILE HG2 H 0.904 0.02 1 1621 165 ILE CG2 C 18.261 0.1 1 1622 165 ILE HD1 H 0.642 0.02 1 1623 165 ILE CD1 C 13.729 0.1 1 1624 167 HIS HA H 4.705 0.02 1 1625 167 HIS CB C 30.537 0.1 1 1626 167 HIS HB2 H 3.164 0.02 2 1627 167 HIS HB3 H 3.304 0.02 2 1628 167 HIS CD2 C 120.201 0.1 1 1629 167 HIS CE1 C 139.106 0.1 1 1630 167 HIS HD2 H 7.189 0.02 1 1631 167 HIS HE1 H 7.771 0.02 1 1632 168 VAL N N 117.637 0.1 1 1633 168 VAL H H 7.867 0.02 1 1634 168 VAL CA C 63.321 0.1 1 1635 168 VAL HA H 4.208 0.02 1 1636 168 VAL CB C 33.302 0.1 1 1637 168 VAL HB H 2.072 0.02 1 1638 168 VAL HG2 H 0.941 0.02 2 1639 168 VAL CG2 C 21.174 0.1 1 1640 169 LEU N N 124.012 0.1 1 1641 169 LEU H H 8.432 0.02 1 1642 169 LEU CA C 54.815 0.1 1 1643 169 LEU HA H 4.492 0.02 1 1644 169 LEU CB C 41.220 0.1 1 1645 169 LEU HB2 H 1.506 0.02 2 1646 169 LEU HB3 H 1.896 0.02 2 1647 169 LEU HD2 H 0.677 0.02 2 1648 169 LEU CD2 C 23.416 0.1 1 1649 170 ARG N N 119.167 0.1 1 1650 170 ARG H H 7.973 0.02 1 1651 171 GLU CA C 56.699 0.1 1 1652 171 GLU HA H 4.295 0.02 1 1653 171 GLU CB C 30.788 0.1 1 1654 171 GLU HB2 H 2.039 0.02 2 1655 171 GLU HB3 H 1.867 0.02 2 1656 171 GLU CG C 36.541 0.1 1 1657 171 GLU HG3 H 2.201 0.02 2 1658 171 GLU C C 176.142 0.1 1 1659 172 ASP N N 121.640 0.1 1 1660 172 ASP H H 8.532 0.02 1 1661 172 ASP CA C 54.756 0.1 1 1662 172 ASP HA H 4.636 0.02 1 1663 172 ASP CB C 41.399 0.1 1 1664 172 ASP HB3 H 2.730 0.02 2 1665 172 ASP C C 175.329 0.1 1 1666 173 GLN N N 124.957 0.1 1 1667 173 GLN H H 7.875 0.02 1 1668 173 GLN C C 180.626 0.1 1 stop_ save_