data_6464 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the hypothetical Arabidopsis thaliana protein At1g16640.1 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson F. C. . 2 Waltner J. L. . 3 Lytle B. L. . 4 Volkman B. F. . stop_ _BMRB_accession_number 6464 _BMRB_flat_file_name bmr6464.str _Entry_type new _Submission_date 2005-01-19 _Accession_date 2005-01-19 _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' 518 '15N chemical shifts' 99 '13C chemical shifts' 370 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Structure of the B3 domain from Arabidopsis thaliana protein At1g16640. ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 16081658 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waltner J. K. . 2 Peterson F. C. . 3 Lytle B. L. . 4 Volkman B. F. . stop_ _Journal_abbreviation "Protein Sci." _Journal_volume 14 _Page_first 2478 _Page_last 2483 _Year 2005 loop_ _Keyword "CESG" "Protein Structure Initiative" "structural genomics" "PSI" "Center for Eukaryotic Structural Genomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_At1g16640 _Saveframe_category molecular_system _Mol_system_name At1g16640 _Abbreviation_common At1g16640 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At1g16640 $At1g16640 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 1YEL ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_At1g16640 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At1g16640 _Name_variant . _Abbreviation_common At1g16640 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSMADTGEVQFMKPFISEKS SKSLEIPLGFNEYFPAPFPI TVDLLDYSGRSWTVRMKKRG EKVFLTVGWENFVKDNNLED GKYLQFIYDRDRTFYVIIYG HNMC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 MET 4 2 ALA 5 3 ASP 6 4 THR 7 5 GLY 8 6 GLU 9 7 VAL 10 8 GLN 11 9 PHE 12 10 MET 13 11 LYS 14 12 PRO 15 13 PHE 16 14 ILE 17 15 SER 18 16 GLU 19 17 LYS 20 18 SER 21 19 SER 22 20 LYS 23 21 SER 24 22 LEU 25 23 GLU 26 24 ILE 27 25 PRO 28 26 LEU 29 27 GLY 30 28 PHE 31 29 ASN 32 30 GLU 33 31 TYR 34 32 PHE 35 33 PRO 36 34 ALA 37 35 PRO 38 36 PHE 39 37 PRO 40 38 ILE 41 39 THR 42 40 VAL 43 41 ASP 44 42 LEU 45 43 LEU 46 44 ASP 47 45 TYR 48 46 SER 49 47 GLY 50 48 ARG 51 49 SER 52 50 TRP 53 51 THR 54 52 VAL 55 53 ARG 56 54 MET 57 55 LYS 58 56 LYS 59 57 ARG 60 58 GLY 61 59 GLU 62 60 LYS 63 61 VAL 64 62 PHE 65 63 LEU 66 64 THR 67 65 VAL 68 66 GLY 69 67 TRP 70 68 GLU 71 69 ASN 72 70 PHE 73 71 VAL 74 72 LYS 75 73 ASP 76 74 ASN 77 75 ASN 78 76 LEU 79 77 GLU 80 78 ASP 81 79 GLY 82 80 LYS 83 81 TYR 84 82 LEU 85 83 GLN 86 84 PHE 87 85 ILE 88 86 TYR 89 87 ASP 90 88 ARG 91 89 ASP 92 90 ARG 93 91 THR 94 92 PHE 95 93 TYR 96 94 VAL 97 95 ILE 98 96 ILE 99 97 TYR 100 98 GLY 101 99 HIS 102 100 ASN 103 101 MET 104 102 CYS stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At1g16640 "Arabidopsis thaliana" 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 $At1g16640 "recombinant technology" "E. coli" ? ? ? ? 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 $At1g16640 0.8 mM "[U-15N; U-13C]" PO4 20 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Task collection stop_ _Details "Bruker Biospin" save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Task processing stop_ _Details "Frank Delaglio" save_ save_SPSCAN _Saveframe_category software _Name SPSCAN loop_ _Task "data analysis" stop_ _Details "Ralf Glaser" save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task "data analysis" stop_ save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Task "data analysis" stop_ save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task "structure solution" stop_ _Details "Peter Guntert" save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version NIH loop_ _Task refinement stop_ _Details "G. Marius Clore" save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 13C-separated NOESY 3D 15N-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' 70 . 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 # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD 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 At1g16640 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 3 MET CA C 56.0 0.1 1 2 3 MET HA H 4.50 0.02 1 3 3 MET CB C 32.8 0.1 1 4 3 MET HB2 H 2.11 0.02 2 5 3 MET HB3 H 2.01 0.02 2 6 3 MET CG C 32.5 0.1 1 7 3 MET HG2 H 2.61 0.02 2 8 3 MET HG3 H 2.56 0.02 2 9 3 MET C C 176.2 0.1 1 10 4 ALA N N 124.6 0.1 1 11 4 ALA H H 8.30 0.02 1 12 4 ALA CA C 52.9 0.1 1 13 4 ALA HA H 4.32 0.02 1 14 4 ALA HB H 1.40 0.02 1 15 4 ALA CB C 19.3 0.1 1 16 4 ALA C C 177.6 0.1 1 17 5 ASP N N 119.7 0.1 1 18 5 ASP H H 8.26 0.02 1 19 5 ASP CA C 54.7 0.1 1 20 5 ASP HA H 4.66 0.02 1 21 5 ASP CB C 41.7 0.1 1 22 5 ASP HB2 H 2.70 0.02 1 23 5 ASP HB3 H 2.70 0.02 1 24 5 ASP C C 176.4 0.1 1 25 6 THR N N 112.3 0.1 1 26 6 THR H H 7.99 0.02 1 27 6 THR CA C 61.6 0.1 1 28 6 THR HA H 4.34 0.02 1 29 6 THR CB C 70.0 0.1 1 30 6 THR HB H 4.34 0.02 1 31 6 THR HG2 H 1.19 0.02 1 32 6 THR CG2 C 21.8 0.1 1 33 6 THR C C 175.3 0.1 1 34 7 GLY N N 110.9 0.1 1 35 7 GLY H H 8.34 0.02 1 36 7 GLY CA C 45.5 0.1 1 37 7 GLY HA2 H 4.01 0.02 2 38 7 GLY HA3 H 3.93 0.02 2 39 7 GLY C C 173.7 0.1 1 40 8 GLU N N 120.1 0.1 1 41 8 GLU H H 8.21 0.02 1 42 8 GLU CA C 57.2 0.1 1 43 8 GLU HA H 4.45 0.02 1 44 8 GLU CB C 30.9 0.1 1 45 8 GLU HB2 H 1.93 0.02 1 46 8 GLU HB3 H 1.93 0.02 1 47 8 GLU CG C 36.7 0.1 1 48 8 GLU HG2 H 2.21 0.02 1 49 8 GLU HG3 H 2.21 0.02 1 50 8 GLU C C 176.7 0.1 1 51 9 VAL N N 118.3 0.1 1 52 9 VAL H H 8.30 0.02 1 53 9 VAL CA C 60.6 0.1 1 54 9 VAL HA H 4.50 0.02 1 55 9 VAL CB C 34.2 0.1 1 56 9 VAL HB H 1.89 0.02 1 57 9 VAL HG1 H 0.31 0.02 2 58 9 VAL HG2 H 0.51 0.02 2 59 9 VAL CG1 C 22.1 0.1 1 60 9 VAL CG2 C 19.6 0.1 1 61 9 VAL C C 174.4 0.1 1 62 10 GLN N N 119.2 0.1 1 63 10 GLN H H 8.64 0.02 1 64 10 GLN CA C 54.0 0.1 1 65 10 GLN HA H 6.23 0.02 1 66 10 GLN CB C 32.9 0.1 1 67 10 GLN HB2 H 2.40 0.02 2 68 10 GLN HB3 H 2.26 0.02 2 69 10 GLN CG C 34.4 0.1 1 70 10 GLN HG2 H 2.15 0.02 1 71 10 GLN HG3 H 2.15 0.02 1 72 10 GLN NE2 N 110.9 0.1 1 73 10 GLN HE21 H 7.46 0.02 2 74 10 GLN HE22 H 6.66 0.02 2 75 10 GLN C C 175.4 0.1 1 76 11 PHE N N 115.0 0.1 1 77 11 PHE H H 8.55 0.02 1 78 11 PHE CA C 57.4 0.1 1 79 11 PHE HA H 5.03 0.02 1 80 11 PHE CB C 41.5 0.1 1 81 11 PHE HB2 H 3.10 0.02 2 82 11 PHE HB3 H 2.95 0.02 2 83 11 PHE C C 171.9 0.1 1 84 12 MET N N 120.2 0.1 1 85 12 MET H H 8.74 0.02 1 86 12 MET CA C 53.8 0.1 1 87 12 MET HA H 5.84 0.02 1 88 12 MET CB C 36.0 0.1 1 89 12 MET HB2 H 2.13 0.02 1 90 12 MET HB3 H 2.13 0.02 1 91 12 MET CG C 32.5 0.1 1 92 12 MET HG2 H 2.65 0.02 2 93 12 MET HG3 H 2.60 0.02 2 94 12 MET HE H 1.84 0.02 1 95 12 MET CE C 17.3 0.1 1 96 12 MET C C 176.3 0.1 1 97 13 LYS N N 124.4 0.1 1 98 13 LYS H H 9.48 0.02 1 99 13 LYS CA C 53.8 0.1 1 100 13 LYS HA H 5.15 0.02 1 101 13 LYS CB C 37.3 0.1 1 102 13 LYS HB2 H 2.08 0.02 2 103 13 LYS HB3 H 1.86 0.02 2 104 13 LYS HD2 H 1.66 0.02 1 105 13 LYS HD3 H 1.66 0.02 1 106 13 LYS CE C 42.2 0.1 1 107 13 LYS HE2 H 3.00 0.02 1 108 13 LYS HE3 H 3.00 0.02 1 109 14 PRO CD C 51.3 0.1 1 110 14 PRO CA C 62.8 0.1 1 111 14 PRO HA H 4.29 0.02 1 112 14 PRO CB C 32.3 0.1 1 113 14 PRO HB2 H 1.66 0.02 1 114 14 PRO HB3 H 1.66 0.02 1 115 14 PRO CG C 27.3 0.1 1 116 14 PRO HG2 H 2.05 0.02 1 117 14 PRO HG3 H 2.05 0.02 1 118 14 PRO HD2 H 3.89 0.02 1 119 14 PRO HD3 H 3.89 0.02 1 120 14 PRO C C 176.0 0.1 1 121 15 PHE N N 122.3 0.1 1 122 15 PHE H H 8.73 0.02 1 123 15 PHE CA C 59.3 0.1 1 124 15 PHE HA H 4.25 0.02 1 125 15 PHE CB C 39.8 0.1 1 126 15 PHE HB2 H 3.15 0.02 2 127 15 PHE HB3 H 2.57 0.02 2 128 15 PHE C C 172.9 0.1 1 129 16 ILE N N 130.2 0.1 1 130 16 ILE H H 7.26 0.02 1 131 16 ILE CA C 58.9 0.1 1 132 16 ILE HA H 4.36 0.02 1 133 16 ILE CB C 39.0 0.1 1 134 16 ILE HB H 1.75 0.02 1 135 16 ILE HG2 H 0.96 0.02 1 136 16 ILE CG2 C 18.3 0.1 1 137 16 ILE CG1 C 27.0 0.1 1 138 16 ILE HG12 H 1.33 0.02 2 139 16 ILE HG13 H 1.11 0.02 2 140 16 ILE HD1 H 0.83 0.02 1 141 16 ILE CD1 C 12.1 0.1 1 142 16 ILE C C 177.1 0.1 1 143 17 SER N N 128.9 0.1 1 144 17 SER H H 10.10 0.02 1 145 17 SER CA C 59.3 0.1 1 146 17 SER HA H 3.86 0.02 1 147 17 SER CB C 62.9 0.1 1 148 17 SER HB2 H 4.00 0.02 2 149 17 SER HB3 H 3.61 0.02 2 150 17 SER C C 177.3 0.1 1 151 18 GLU N N 119.8 0.1 1 152 18 GLU H H 8.91 0.02 1 153 18 GLU CA C 59.1 0.1 1 154 18 GLU HA H 4.14 0.02 1 155 18 GLU CB C 30.1 0.1 1 156 18 GLU HB2 H 2.10 0.02 2 157 18 GLU HB3 H 1.93 0.02 2 158 18 GLU CG C 36.0 0.1 1 159 18 GLU HG2 H 2.29 0.02 1 160 18 GLU HG3 H 2.29 0.02 1 161 18 GLU C C 177.3 0.1 1 162 19 LYS N N 114.3 0.1 1 163 19 LYS H H 7.06 0.02 1 164 19 LYS CA C 56.6 0.1 1 165 19 LYS HA H 4.57 0.02 1 166 19 LYS CB C 34.9 0.1 1 167 19 LYS HB2 H 1.90 0.02 2 168 19 LYS HB3 H 1.80 0.02 2 169 19 LYS CG C 25.0 0.1 1 170 19 LYS HG2 H 1.37 0.02 2 171 19 LYS HG3 H 1.49 0.02 2 172 19 LYS HD2 H 1.67 0.02 1 173 19 LYS HD3 H 1.67 0.02 1 174 19 LYS HE2 H 2.96 0.02 1 175 19 LYS HE3 H 2.96 0.02 1 176 19 LYS C C 180.2 0.1 1 177 20 SER N N 113.5 0.1 1 178 20 SER H H 8.00 0.02 1 179 20 SER CA C 57.9 0.1 1 180 20 SER HA H 5.99 0.02 1 181 20 SER CB C 64.6 0.1 1 182 20 SER HB2 H 4.52 0.02 2 183 20 SER HB3 H 3.19 0.02 2 184 20 SER C C 174.3 0.1 1 185 21 SER N N 116.4 0.1 1 186 21 SER H H 8.21 0.02 1 187 21 SER CA C 63.2 0.1 1 188 21 SER HA H 4.17 0.02 1 189 21 SER CB C 61.8 0.1 1 190 21 SER HB2 H 4.14 0.02 1 191 21 SER HB3 H 4.14 0.02 1 192 21 SER C C 174.4 0.1 1 193 22 LYS N N 116.8 0.1 1 194 22 LYS H H 8.35 0.02 1 195 22 LYS CA C 56.7 0.1 1 196 22 LYS HA H 4.73 0.02 1 197 22 LYS CB C 35.1 0.1 1 198 22 LYS HB2 H 2.00 0.02 2 199 22 LYS HB3 H 1.78 0.02 2 200 22 LYS HE2 H 3.01 0.02 1 201 22 LYS HE3 H 3.01 0.02 1 202 22 LYS C C 176.1 0.1 1 203 23 SER N N 114.6 0.1 1 204 23 SER H H 8.18 0.02 1 205 23 SER CA C 57.0 0.1 1 206 23 SER HA H 4.96 0.02 1 207 23 SER CB C 66.3 0.1 1 208 23 SER HB2 H 3.90 0.02 2 209 23 SER HB3 H 3.82 0.02 2 210 23 SER C C 171.0 0.1 1 211 24 LEU N N 120.4 0.1 1 212 24 LEU H H 8.08 0.02 1 213 24 LEU CA C 52.5 0.1 1 214 24 LEU HA H 4.52 0.02 1 215 24 LEU CB C 43.8 0.1 1 216 24 LEU HB2 H 0.64 0.02 2 217 24 LEU HB3 H -0.47 0.02 2 218 24 LEU HG H 0.80 0.02 1 219 24 LEU HD1 H 0.25 0.02 2 220 24 LEU HD2 H 0.58 0.02 2 221 24 LEU CD1 C 25.0 0.1 1 222 24 LEU CD2 C 23.1 0.1 1 223 24 LEU C C 174.9 0.1 1 224 25 GLU N N 128.6 0.1 1 225 25 GLU H H 8.46 0.02 1 226 25 GLU CA C 55.5 0.1 1 227 25 GLU HA H 3.52 0.02 1 228 25 GLU CB C 30.9 0.1 1 229 25 GLU HB2 H 1.72 0.02 2 230 25 GLU HB3 H 1.47 0.02 2 231 25 GLU CG C 35.4 0.1 1 232 25 GLU HG2 H 1.53 0.02 2 233 25 GLU HG3 H 1.21 0.02 2 234 25 GLU C C 174.9 0.1 1 235 26 ILE N N 131.9 0.1 1 236 26 ILE H H 8.34 0.02 1 237 26 ILE CA C 57.4 0.1 1 238 26 ILE HA H 3.43 0.02 1 239 26 ILE CB C 37.3 0.1 1 240 26 ILE HB H 1.82 0.02 1 241 26 ILE HG2 H 0.62 0.02 1 242 26 ILE CG2 C 16.3 0.1 1 243 26 ILE CG1 C 27.9 0.1 1 244 26 ILE HG12 H 1.11 0.02 2 245 26 ILE HG13 H 0.82 0.02 2 246 26 ILE HD1 H 0.34 0.02 1 247 26 ILE CD1 C 11.1 0.1 1 248 27 PRO CD C 50.3 0.1 1 249 27 PRO CA C 63.6 0.1 1 250 27 PRO HA H 4.17 0.02 1 251 27 PRO CB C 32.2 0.1 1 252 27 PRO HB2 H 2.24 0.02 2 253 27 PRO HB3 H 1.75 0.02 2 254 27 PRO CG C 28.3 0.1 1 255 27 PRO HG2 H 1.69 0.02 2 256 27 PRO HG3 H 1.51 0.02 2 257 27 PRO HD2 H 2.66 0.02 2 258 27 PRO HD3 H 1.83 0.02 2 259 27 PRO C C 177.1 0.1 1 260 28 LEU N N 124.7 0.1 1 261 28 LEU H H 8.01 0.02 1 262 28 LEU CA C 57.8 0.1 1 263 28 LEU HA H 4.14 0.02 1 264 28 LEU CB C 42.8 0.1 1 265 28 LEU HB2 H 1.60 0.02 1 266 28 LEU HB3 H 1.60 0.02 1 267 28 LEU CG C 27.3 0.1 1 268 28 LEU HG H 1.71 0.02 1 269 28 LEU HD1 H 0.92 0.02 2 270 28 LEU HD2 H 0.90 0.02 2 271 28 LEU CD1 C 25.0 0.1 1 272 28 LEU CD2 C 23.7 0.1 1 273 28 LEU C C 180.0 0.1 1 274 29 GLY N N 106.2 0.1 1 275 29 GLY H H 8.74 0.02 1 276 29 GLY CA C 46.4 0.1 1 277 29 GLY HA2 H 3.93 0.02 2 278 29 GLY HA3 H 3.85 0.02 2 279 29 GLY C C 174.6 0.1 1 280 30 PHE N N 122.0 0.1 1 281 30 PHE H H 8.03 0.02 1 282 30 PHE CA C 58.6 0.1 1 283 30 PHE HA H 4.31 0.02 1 284 30 PHE CB C 41.3 0.1 1 285 30 PHE HB2 H 2.82 0.02 2 286 30 PHE HB3 H 2.77 0.02 2 287 30 PHE C C 175.8 0.1 1 288 31 ASN N N 114.7 0.1 1 289 31 ASN H H 7.56 0.02 1 290 31 ASN CA C 55.8 0.1 1 291 31 ASN HA H 4.40 0.02 1 292 31 ASN CB C 37.5 0.1 1 293 31 ASN HB2 H 2.93 0.02 1 294 31 ASN HB3 H 2.93 0.02 1 295 31 ASN ND2 N 107.3 0.1 1 296 31 ASN HD21 H 7.34 0.02 2 297 31 ASN HD22 H 6.48 0.02 2 298 31 ASN C C 177.7 0.1 1 299 32 GLU N N 116.7 0.1 1 300 32 GLU H H 7.46 0.02 1 301 32 GLU CA C 57.9 0.1 1 302 32 GLU HA H 4.12 0.02 1 303 32 GLU CB C 29.5 0.1 1 304 32 GLU HB2 H 1.71 0.02 1 305 32 GLU HB3 H 1.71 0.02 1 306 32 GLU C C 176.5 0.1 1 307 33 TYR N N 116.8 0.1 1 308 33 TYR H H 7.48 0.02 1 309 33 TYR CA C 57.9 0.1 1 310 33 TYR HA H 4.46 0.02 1 311 33 TYR CB C 38.5 0.1 1 312 33 TYR HB2 H 2.83 0.02 2 313 33 TYR HB3 H 1.94 0.02 2 314 33 TYR C C 176.6 0.1 1 315 34 PHE N N 118.4 0.1 1 316 34 PHE H H 7.15 0.02 1 317 34 PHE CA C 57.1 0.1 1 318 34 PHE HA H 5.22 0.02 1 319 34 PHE CB C 38.6 0.1 1 320 34 PHE HB2 H 3.07 0.02 1 321 34 PHE HB3 H 3.07 0.02 1 322 35 PRO CD C 51.2 0.1 1 323 35 PRO CA C 63.6 0.1 1 324 35 PRO HA H 4.37 0.02 1 325 35 PRO CB C 32.2 0.1 1 326 35 PRO HB2 H 2.34 0.02 2 327 35 PRO HB3 H 1.86 0.02 2 328 35 PRO CG C 27.6 0.1 1 329 35 PRO HG2 H 2.03 0.02 2 330 35 PRO HG3 H 1.88 0.02 2 331 35 PRO HD2 H 4.23 0.02 2 332 35 PRO HD3 H 3.68 0.02 2 333 35 PRO C C 175.2 0.1 1 334 36 ALA N N 119.6 0.1 1 335 36 ALA H H 7.99 0.02 1 336 36 ALA CA C 49.0 0.1 1 337 36 ALA HA H 4.74 0.02 1 338 36 ALA HB H 1.35 0.02 1 339 36 ALA CB C 20.9 0.1 1 340 37 PRO CD C 50.3 0.1 1 341 37 PRO HD2 H 3.74 0.02 2 342 37 PRO HD3 H 2.59 0.02 2 343 37 PRO C C 175.5 0.1 1 344 38 PHE N N 124.0 0.1 1 345 38 PHE H H 8.43 0.02 1 346 39 PRO CD C 50.3 0.1 1 347 39 PRO CA C 62.9 0.1 1 348 39 PRO HA H 4.69 0.02 1 349 39 PRO CB C 34.4 0.1 1 350 39 PRO HB2 H 2.44 0.02 2 351 39 PRO HB3 H 2.10 0.02 2 352 39 PRO CG C 25.4 0.1 1 353 39 PRO HG2 H 1.94 0.02 1 354 39 PRO HG3 H 1.94 0.02 1 355 39 PRO HD2 H 3.63 0.02 2 356 39 PRO HD3 H 3.53 0.02 2 357 39 PRO C C 173.8 0.1 1 358 40 ILE N N 119.6 0.1 1 359 40 ILE H H 8.19 0.02 1 360 40 ILE CA C 62.9 0.1 1 361 40 ILE HA H 4.35 0.02 1 362 40 ILE CB C 38.6 0.1 1 363 40 ILE HB H 2.04 0.02 1 364 40 ILE HG2 H 1.13 0.02 1 365 40 ILE CG2 C 18.3 0.1 1 366 40 ILE CG1 C 27.9 0.1 1 367 40 ILE HG12 H 1.73 0.02 2 368 40 ILE HG13 H 1.43 0.02 2 369 40 ILE HD1 H 1.00 0.02 1 370 40 ILE CD1 C 13.1 0.1 1 371 40 ILE C C 177.7 0.1 1 372 41 THR N N 108.0 0.1 1 373 41 THR H H 7.49 0.02 1 374 41 THR CA C 59.1 0.1 1 375 41 THR HA H 5.26 0.02 1 376 41 THR CB C 72.8 0.1 1 377 41 THR HB H 4.13 0.02 1 378 41 THR HG2 H 1.19 0.02 1 379 41 THR CG2 C 22.1 0.1 1 380 41 THR C C 173.4 0.1 1 381 42 VAL N N 112.6 0.1 1 382 42 VAL H H 9.11 0.02 1 383 42 VAL CA C 59.2 0.1 1 384 42 VAL HA H 5.11 0.02 1 385 42 VAL CB C 36.0 0.1 1 386 42 VAL HB H 2.28 0.02 1 387 42 VAL HG1 H 0.99 0.02 2 388 42 VAL HG2 H 0.85 0.02 2 389 42 VAL CG1 C 22.8 0.1 1 390 42 VAL CG2 C 18.6 0.1 1 391 42 VAL C C 173.9 0.1 1 392 43 ASP N N 120.2 0.1 1 393 43 ASP H H 8.93 0.02 1 394 43 ASP CA C 53.3 0.1 1 395 43 ASP HA H 5.76 0.02 1 396 43 ASP CB C 43.1 0.1 1 397 43 ASP HB2 H 2.63 0.02 2 398 43 ASP HB3 H 2.54 0.02 2 399 43 ASP C C 174.5 0.1 1 400 44 LEU N N 122.3 0.1 1 401 44 LEU H H 9.57 0.02 1 402 44 LEU CA C 53.5 0.1 1 403 44 LEU HA H 5.38 0.02 1 404 44 LEU CB C 42.5 0.1 1 405 44 LEU HB2 H 2.20 0.02 2 406 44 LEU HB3 H 1.22 0.02 2 407 44 LEU CG C 28.3 0.1 1 408 44 LEU HG H 1.81 0.02 1 409 44 LEU HD1 H 0.63 0.02 2 410 44 LEU HD2 H 0.66 0.02 2 411 44 LEU CD1 C 26.3 0.1 1 412 44 LEU CD2 C 25.0 0.1 1 413 44 LEU C C 175.3 0.1 1 414 45 LEU N N 124.6 0.1 1 415 45 LEU H H 9.28 0.02 1 416 45 LEU CA C 54.0 0.1 1 417 45 LEU HA H 5.63 0.02 1 418 45 LEU CB C 45.8 0.1 1 419 45 LEU HB2 H 1.67 0.02 2 420 45 LEU HB3 H 1.16 0.02 2 421 45 LEU CG C 28.6 0.1 1 422 45 LEU HG H 1.62 0.02 1 423 45 LEU HD1 H 0.75 0.02 2 424 45 LEU HD2 H 0.86 0.02 2 425 45 LEU CD1 C 25.7 0.1 1 426 45 LEU CD2 C 25.0 0.1 1 427 45 LEU C C 177.0 0.1 1 428 46 ASP N N 117.8 0.1 1 429 46 ASP H H 8.00 0.02 1 430 47 TYR C C 176.6 0.1 1 431 48 SER N N 117.2 0.1 1 432 48 SER H H 8.48 0.02 1 433 48 SER C C 175.2 0.1 1 434 49 GLY N N 111.0 0.1 1 435 49 GLY H H 8.42 0.02 1 436 49 GLY CA C 45.6 0.1 1 437 49 GLY HA2 H 4.38 0.02 2 438 49 GLY HA3 H 3.74 0.02 2 439 49 GLY C C 174.5 0.1 1 440 50 ARG N N 120.9 0.1 1 441 50 ARG H H 8.13 0.02 1 442 50 ARG CA C 56.9 0.1 1 443 50 ARG HA H 4.07 0.02 1 444 50 ARG CB C 32.3 0.1 1 445 50 ARG HB2 H 1.73 0.02 2 446 50 ARG HB3 H 0.95 0.02 2 447 50 ARG CG C 27.3 0.1 1 448 50 ARG HG2 H 1.48 0.02 2 449 50 ARG HG3 H 1.16 0.02 2 450 50 ARG CD C 43.8 0.1 1 451 50 ARG HD2 H 3.15 0.02 2 452 50 ARG HD3 H 2.97 0.02 2 453 50 ARG C C 174.4 0.1 1 454 51 SER N N 112.2 0.1 1 455 51 SER H H 7.26 0.02 1 456 51 SER CA C 56.6 0.1 1 457 51 SER HA H 5.70 0.02 1 458 51 SER CB C 67.0 0.1 1 459 51 SER HB2 H 3.53 0.02 1 460 51 SER HB3 H 3.53 0.02 1 461 51 SER C C 173.9 0.1 1 462 52 TRP N N 126.3 0.1 1 463 52 TRP H H 9.70 0.02 1 464 52 TRP CA C 59.2 0.1 1 465 52 TRP HA H 4.82 0.02 1 466 52 TRP CB C 33.1 0.1 1 467 52 TRP HB2 H 3.44 0.02 2 468 52 TRP HB3 H 3.33 0.02 2 469 52 TRP NE1 N 132.2 0.1 1 470 52 TRP HE1 H 11.64 0.02 1 471 52 TRP C C 175.3 0.1 1 472 53 THR N N 122.1 0.1 1 473 53 THR H H 9.01 0.02 1 474 53 THR CA C 63.6 0.1 1 475 53 THR HA H 5.45 0.02 1 476 53 THR CB C 70.4 0.1 1 477 53 THR HB H 3.96 0.02 1 478 53 THR HG2 H 1.30 0.02 1 479 53 THR CG2 C 22.5 0.1 1 480 53 THR C C 175.5 0.1 1 481 54 VAL N N 126.7 0.1 1 482 54 VAL H H 9.64 0.02 1 483 54 VAL CA C 59.9 0.1 1 484 54 VAL HA H 5.28 0.02 1 485 54 VAL CB C 35.6 0.1 1 486 54 VAL HB H 2.04 0.02 1 487 54 VAL HG1 H 1.08 0.02 2 488 54 VAL HG2 H 0.95 0.02 2 489 54 VAL CG1 C 23.4 0.1 1 490 54 VAL CG2 C 22.1 0.1 1 491 54 VAL C C 174.4 0.1 1 492 55 ARG N N 125.0 0.1 1 493 55 ARG H H 8.78 0.02 1 494 55 ARG CA C 56.5 0.1 1 495 55 ARG HA H 4.73 0.02 1 496 55 ARG CB C 32.2 0.1 1 497 55 ARG HB2 H 2.03 0.02 2 498 55 ARG HB3 H 1.95 0.02 2 499 55 ARG CG C 28.3 0.1 1 500 55 ARG HG2 H 1.81 0.02 2 501 55 ARG HG3 H 1.78 0.02 2 502 55 ARG CD C 43.5 0.1 1 503 55 ARG HD2 H 3.31 0.02 1 504 55 ARG HD3 H 3.31 0.02 1 505 55 ARG C C 174.9 0.1 1 506 56 MET N N 124.3 0.1 1 507 56 MET H H 8.07 0.02 1 508 56 MET CA C 55.0 0.1 1 509 56 MET HA H 5.44 0.02 1 510 56 MET CB C 37.1 0.1 1 511 56 MET HB2 H 1.86 0.02 1 512 56 MET HB3 H 1.86 0.02 1 513 56 MET CG C 32.5 0.1 1 514 56 MET HG2 H 2.09 0.02 2 515 56 MET HG3 H 2.02 0.02 2 516 56 MET HE H 1.20 0.02 1 517 56 MET CE C 17.3 0.1 1 518 56 MET C C 175.6 0.1 1 519 57 LYS N N 125.0 0.1 1 520 57 LYS H H 9.26 0.02 1 521 57 LYS CA C 54.9 0.1 1 522 57 LYS HA H 4.76 0.02 1 523 57 LYS CB C 37.7 0.1 1 524 57 LYS HB2 H 1.76 0.02 2 525 57 LYS HB3 H 1.68 0.02 2 526 57 LYS CG C 24.7 0.1 1 527 57 LYS HG2 H 1.36 0.02 1 528 57 LYS HG3 H 1.36 0.02 1 529 57 LYS CD C 29.2 0.1 1 530 57 LYS HD2 H 1.79 0.02 2 531 57 LYS HD3 H 1.70 0.02 2 532 57 LYS CE C 42.5 0.1 1 533 57 LYS HE2 H 2.96 0.02 1 534 57 LYS HE3 H 2.96 0.02 1 535 57 LYS C C 174.2 0.1 1 536 58 LYS N N 126.1 0.1 1 537 58 LYS H H 8.71 0.02 1 538 58 LYS CA C 55.8 0.1 1 539 58 LYS HA H 5.08 0.02 1 540 58 LYS CB C 34.0 0.1 1 541 58 LYS HB2 H 1.65 0.02 2 542 58 LYS HB3 H 1.23 0.02 2 543 58 LYS CG C 25.4 0.1 1 544 58 LYS HG2 H 1.05 0.02 2 545 58 LYS HG3 H 0.96 0.02 2 546 58 LYS CD C 29.6 0.1 1 547 58 LYS HD2 H 1.29 0.02 2 548 58 LYS HD3 H 1.18 0.02 2 549 58 LYS CE C 41.9 0.1 1 550 58 LYS HE2 H 2.57 0.02 2 551 58 LYS HE3 H 2.38 0.02 2 552 59 ARG N N 127.8 0.1 1 553 59 ARG H H 9.23 0.02 1 554 59 ARG C C 176.6 0.1 1 555 60 GLY N N 127.8 0.1 1 556 60 GLY H H 9.23 0.02 1 557 60 GLY CA C 47.2 0.1 1 558 60 GLY HA2 H 4.02 0.02 2 559 60 GLY HA3 H 3.64 0.02 2 560 60 GLY C C 174.6 0.1 1 561 61 GLU N N 126.1 0.1 1 562 61 GLU H H 9.11 0.02 1 563 61 GLU CA C 56.7 0.1 1 564 61 GLU HA H 4.25 0.02 1 565 61 GLU CB C 30.6 0.1 1 566 61 GLU HB2 H 2.16 0.02 2 567 61 GLU HB3 H 1.89 0.02 2 568 61 GLU CG C 36.4 0.1 1 569 61 GLU HG2 H 2.32 0.02 1 570 61 GLU HG3 H 2.32 0.02 1 571 61 GLU C C 175.7 0.1 1 572 62 LYS N N 118.1 0.1 1 573 62 LYS H H 7.49 0.02 1 574 62 LYS CA C 56.3 0.1 1 575 62 LYS HA H 4.49 0.02 1 576 62 LYS CB C 36.7 0.1 1 577 62 LYS HB2 H 1.93 0.02 2 578 62 LYS HB3 H 1.41 0.02 2 579 62 LYS CG C 26.3 0.1 1 580 62 LYS HG2 H 1.34 0.02 1 581 62 LYS HG3 H 1.34 0.02 1 582 62 LYS CD C 28.3 0.1 1 583 62 LYS HD2 H 1.70 0.02 1 584 62 LYS HD3 H 1.70 0.02 1 585 62 LYS CE C 43.2 0.1 1 586 62 LYS HE2 H 3.04 0.02 2 587 62 LYS HE3 H 2.96 0.02 2 588 62 LYS C C 174.6 0.1 1 589 63 VAL N N 123.5 0.1 1 590 63 VAL H H 9.36 0.02 1 591 63 VAL CA C 62.2 0.1 1 592 63 VAL HA H 4.47 0.02 1 593 63 VAL CB C 33.0 0.1 1 594 63 VAL HB H 1.76 0.02 1 595 63 VAL HG1 H 0.74 0.02 2 596 63 VAL HG2 H 0.80 0.02 2 597 63 VAL CG1 C 23.4 0.1 1 598 63 VAL CG2 C 22.5 0.1 1 599 63 VAL C C 173.5 0.1 1 600 64 PHE N N 122.2 0.1 1 601 64 PHE H H 8.87 0.02 1 602 64 PHE CA C 55.5 0.1 1 603 64 PHE HA H 5.28 0.02 1 604 64 PHE CB C 43.4 0.1 1 605 64 PHE HB2 H 2.52 0.02 1 606 64 PHE HB3 H 2.52 0.02 1 607 64 PHE C C 175.9 0.1 1 608 65 LEU N N 120.5 0.1 1 609 65 LEU H H 8.90 0.02 1 610 65 LEU CA C 54.3 0.1 1 611 65 LEU HA H 5.02 0.02 1 612 65 LEU CB C 40.4 0.1 1 613 65 LEU HB2 H 1.45 0.02 2 614 65 LEU HB3 H 1.29 0.02 2 615 65 LEU CG C 26.7 0.1 1 616 65 LEU HG H 1.34 0.02 1 617 65 LEU HD1 H 0.33 0.02 2 618 65 LEU HD2 H 0.57 0.02 2 619 65 LEU CD1 C 26.0 0.1 1 620 65 LEU CD2 C 23.1 0.1 1 621 65 LEU C C 177.7 0.1 1 622 66 THR N N 114.4 0.1 1 623 66 THR H H 8.76 0.02 1 624 66 THR CA C 59.4 0.1 1 625 66 THR HA H 4.78 0.02 1 626 66 THR CB C 69.1 0.1 1 627 66 THR HB H 4.45 0.02 1 628 66 THR HG2 H 0.99 0.02 1 629 66 THR CG2 C 23.4 0.1 1 630 66 THR C C 174.7 0.1 1 631 67 VAL N N 125.6 0.1 1 632 67 VAL H H 8.93 0.02 1 633 67 VAL CA C 65.7 0.1 1 634 67 VAL HA H 3.89 0.02 1 635 67 VAL CB C 32.2 0.1 1 636 67 VAL HB H 1.98 0.02 1 637 67 VAL HG1 H 1.23 0.02 2 638 67 VAL HG2 H 1.14 0.02 2 639 67 VAL CG1 C 21.8 0.1 1 640 67 VAL CG2 C 21.2 0.1 1 641 67 VAL C C 176.7 0.1 1 642 68 GLY N N 117.8 0.1 1 643 68 GLY H H 9.37 0.02 1 644 68 GLY CA C 45.7 0.1 1 645 68 GLY HA2 H 5.08 0.02 2 646 68 GLY HA3 H 4.03 0.02 2 647 68 GLY C C 177.2 0.1 1 648 69 TRP N N 127.3 0.1 1 649 69 TRP H H 9.50 0.02 1 650 69 TRP CA C 60.1 0.1 1 651 69 TRP HA H 4.44 0.02 1 652 69 TRP CB C 30.1 0.1 1 653 69 TRP HB2 H 3.45 0.02 2 654 69 TRP HB3 H 3.12 0.02 2 655 69 TRP NE1 N 130.2 0.1 1 656 69 TRP HE1 H 10.45 0.02 1 657 69 TRP C C 177.2 0.1 1 658 70 GLU N N 117.6 0.1 1 659 70 GLU H H 9.41 0.02 1 660 70 GLU CA C 59.3 0.1 1 661 70 GLU HA H 3.85 0.02 1 662 70 GLU CB C 29.1 0.1 1 663 70 GLU HB2 H 2.20 0.02 1 664 70 GLU HB3 H 2.20 0.02 1 665 70 GLU CG C 36.4 0.1 1 666 70 GLU HG2 H 2.50 0.02 2 667 70 GLU HG3 H 2.38 0.02 2 668 70 GLU C C 178.1 0.1 1 669 71 ASN N N 117.3 0.1 1 670 71 ASN H H 7.37 0.02 1 671 71 ASN CA C 56.3 0.1 1 672 71 ASN HA H 4.48 0.02 1 673 71 ASN CB C 38.2 0.1 1 674 71 ASN HB2 H 3.21 0.02 2 675 71 ASN HB3 H 3.02 0.02 2 676 71 ASN ND2 N 113.0 0.1 1 677 71 ASN HD21 H 8.00 0.02 2 678 71 ASN HD22 H 7.10 0.02 2 679 71 ASN C C 175.9 0.1 1 680 72 PHE N N 121.4 0.1 1 681 72 PHE H H 6.97 0.02 1 682 72 PHE CA C 62.3 0.1 1 683 72 PHE HA H 2.44 0.02 1 684 72 PHE CB C 38.7 0.1 1 685 72 PHE HB2 H 1.89 0.02 1 686 72 PHE HB3 H 1.89 0.02 1 687 72 PHE C C 177.7 0.1 1 688 73 VAL N N 119.5 0.1 1 689 73 VAL H H 7.45 0.02 1 690 73 VAL CA C 66.1 0.1 1 691 73 VAL HA H 2.62 0.02 1 692 73 VAL CB C 32.2 0.1 1 693 73 VAL HB H 1.92 0.02 1 694 73 VAL HG1 H 0.33 0.02 2 695 73 VAL HG2 H 0.76 0.02 2 696 73 VAL CG1 C 22.8 0.1 1 697 73 VAL CG2 C 21.8 0.1 1 698 73 VAL C C 177.7 0.1 1 699 74 LYS N N 118.2 0.1 1 700 74 LYS H H 7.72 0.02 1 701 74 LYS CA C 59.1 0.1 1 702 74 LYS HA H 4.00 0.02 1 703 74 LYS CB C 32.7 0.1 1 704 74 LYS HB2 H 1.87 0.02 1 705 74 LYS HB3 H 1.87 0.02 1 706 74 LYS CG C 25.0 0.1 1 707 74 LYS HG2 H 1.56 0.02 2 708 74 LYS HG3 H 1.46 0.02 2 709 74 LYS CE C 42.2 0.1 1 710 74 LYS HE2 H 3.00 0.02 1 711 74 LYS HE3 H 3.00 0.02 1 712 74 LYS C C 180.7 0.1 1 713 75 ASP N N 119.6 0.1 1 714 75 ASP H H 8.55 0.02 1 715 75 ASP CA C 57.0 0.1 1 716 75 ASP HA H 4.33 0.02 1 717 75 ASP CB C 41.1 0.1 1 718 75 ASP HB2 H 2.79 0.02 2 719 75 ASP HB3 H 2.66 0.02 2 720 75 ASP C C 177.4 0.1 1 721 76 ASN N N 112.7 0.1 1 722 76 ASN H H 6.74 0.02 1 723 76 ASN CA C 53.4 0.1 1 724 76 ASN HA H 4.48 0.02 1 725 76 ASN CB C 39.1 0.1 1 726 76 ASN HB2 H 2.14 0.02 2 727 76 ASN HB3 H 1.44 0.02 2 728 76 ASN C C 172.6 0.1 1 729 77 ASN N N 118.0 0.1 1 730 77 ASN H H 7.67 0.02 1 731 77 ASN CA C 54.1 0.1 1 732 77 ASN HA H 4.26 0.02 1 733 77 ASN CB C 37.7 0.1 1 734 77 ASN HB2 H 2.87 0.02 2 735 77 ASN HB3 H 2.54 0.02 2 736 77 ASN ND2 N 113.0 0.1 1 737 77 ASN HD21 H 7.44 0.02 2 738 77 ASN HD22 H 6.71 0.02 2 739 77 ASN C C 174.8 0.1 1 740 78 LEU N N 115.8 0.1 1 741 78 LEU H H 7.47 0.02 1 742 78 LEU CA C 56.7 0.1 1 743 78 LEU HA H 3.52 0.02 1 744 78 LEU CB C 40.9 0.1 1 745 78 LEU HB2 H 0.80 0.02 2 746 78 LEU HB3 H -0.25 0.02 2 747 78 LEU CG C 26.7 0.1 1 748 78 LEU HG H 0.99 0.02 1 749 78 LEU HD1 H 0.41 0.02 2 750 78 LEU HD2 H 0.43 0.02 2 751 78 LEU CD1 C 26.7 0.1 1 752 78 LEU CD2 C 24.1 0.1 1 753 78 LEU C C 175.3 0.1 1 754 79 GLU N N 117.2 0.1 1 755 79 GLU H H 6.42 0.02 1 756 79 GLU CA C 54.1 0.1 1 757 79 GLU HA H 4.66 0.02 1 758 79 GLU CB C 34.0 0.1 1 759 79 GLU HB2 H 2.21 0.02 2 760 79 GLU HB3 H 1.96 0.02 2 761 79 GLU CG C 35.4 0.1 1 762 79 GLU HG2 H 2.21 0.02 1 763 79 GLU HG3 H 2.21 0.02 1 764 79 GLU C C 174.3 0.1 1 765 80 ASP N N 121.6 0.1 1 766 80 ASP H H 8.70 0.02 1 767 80 ASP CA C 57.2 0.1 1 768 80 ASP HA H 4.88 0.02 1 769 80 ASP CB C 41.0 0.1 1 770 80 ASP HB2 H 2.74 0.02 1 771 80 ASP HB3 H 2.74 0.02 1 772 80 ASP C C 177.0 0.1 1 773 81 GLY N N 111.7 0.1 1 774 81 GLY H H 8.87 0.02 1 775 81 GLY CA C 45.2 0.1 1 776 81 GLY HA2 H 4.60 0.02 2 777 81 GLY HA3 H 3.71 0.02 2 778 81 GLY C C 174.8 0.1 1 779 82 LYS N N 116.9 0.1 1 780 82 LYS H H 7.55 0.02 1 781 82 LYS CA C 55.4 0.1 1 782 82 LYS HA H 5.07 0.02 1 783 82 LYS CB C 34.4 0.1 1 784 82 LYS HB2 H 1.89 0.02 1 785 82 LYS HB3 H 1.89 0.02 1 786 82 LYS CG C 26.7 0.1 1 787 82 LYS HG2 H 1.59 0.02 1 788 82 LYS HG3 H 1.59 0.02 1 789 82 LYS C C 175.9 0.1 1 790 83 TYR N N 121.5 0.1 1 791 83 TYR H H 9.19 0.02 1 792 83 TYR CA C 58.1 0.1 1 793 83 TYR HA H 4.81 0.02 1 794 83 TYR CB C 41.6 0.1 1 795 83 TYR HB2 H 2.80 0.02 2 796 83 TYR HB3 H 2.56 0.02 2 797 83 TYR C C 173.8 0.1 1 798 84 LEU N N 120.8 0.1 1 799 84 LEU H H 8.72 0.02 1 800 84 LEU CA C 53.9 0.1 1 801 84 LEU HA H 5.16 0.02 1 802 84 LEU CB C 45.7 0.1 1 803 84 LEU HB2 H 2.17 0.02 2 804 84 LEU HB3 H 1.24 0.02 2 805 84 LEU CG C 27.9 0.1 1 806 84 LEU HG H 1.79 0.02 1 807 84 LEU HD1 H 1.28 0.02 2 808 84 LEU HD2 H 0.96 0.02 2 809 84 LEU CD1 C 26.7 0.1 1 810 84 LEU CD2 C 25.7 0.1 1 811 84 LEU C C 174.9 0.1 1 812 85 GLN N N 124.2 0.1 1 813 85 GLN H H 9.26 0.02 1 814 85 GLN CA C 54.6 0.1 1 815 85 GLN HA H 5.12 0.02 1 816 85 GLN HB2 H 2.47 0.02 2 817 85 GLN HB3 H 1.97 0.02 2 818 85 GLN CG C 33.3 0.1 1 819 85 GLN HG2 H 2.27 0.02 2 820 85 GLN HG3 H 2.07 0.02 2 821 85 GLN NE2 N 111.4 0.1 1 822 85 GLN HE21 H 7.32 0.02 2 823 85 GLN HE22 H 6.83 0.02 2 824 85 GLN C C 173.1 0.1 1 825 86 PHE N N 126.5 0.1 1 826 86 PHE H H 8.82 0.02 1 827 86 PHE CA C 56.8 0.1 1 828 86 PHE HA H 4.96 0.02 1 829 86 PHE CB C 41.2 0.1 1 830 86 PHE HB2 H 2.18 0.02 2 831 86 PHE HB3 H 1.47 0.02 2 832 86 PHE C C 175.3 0.1 1 833 87 ILE N N 122.7 0.1 1 834 87 ILE H H 9.62 0.02 1 835 87 ILE CA C 62.0 0.1 1 836 87 ILE HA H 4.75 0.02 1 837 87 ILE CB C 40.0 0.1 1 838 87 ILE HB H 2.14 0.02 1 839 87 ILE HG2 H 0.98 0.02 1 840 87 ILE CG2 C 18.6 0.1 1 841 87 ILE CG1 C 27.9 0.1 1 842 87 ILE HG12 H 1.57 0.02 2 843 87 ILE HG13 H 1.06 0.02 2 844 87 ILE HD1 H 0.89 0.02 1 845 87 ILE CD1 C 14.4 0.1 1 846 87 ILE C C 175.7 0.1 1 847 88 TYR N N 129.7 0.1 1 848 88 TYR H H 9.61 0.02 1 849 88 TYR CA C 54.5 0.1 1 850 88 TYR HA H 5.50 0.02 1 851 88 TYR CB C 43.7 0.1 1 852 88 TYR HB2 H 3.30 0.02 2 853 88 TYR HB3 H 3.15 0.02 2 854 88 TYR C C 174.6 0.1 1 855 89 ASP N N 126.4 0.1 1 856 89 ASP H H 8.04 0.02 1 857 90 ARG CA C 59.3 0.1 1 858 90 ARG HA H 3.03 0.02 1 859 90 ARG CB C 26.6 0.1 1 860 90 ARG HB2 H 2.09 0.02 1 861 90 ARG HB3 H 2.09 0.02 1 862 90 ARG CG C 28.6 0.1 1 863 90 ARG HG2 H 1.37 0.02 2 864 90 ARG HG3 H 1.14 0.02 2 865 90 ARG CD C 43.5 0.1 1 866 90 ARG HD2 H 3.23 0.02 2 867 90 ARG HD3 H 2.97 0.02 2 868 90 ARG C C 173.9 0.1 1 869 91 ASP N N 119.6 0.1 1 870 91 ASP H H 8.08 0.02 1 871 91 ASP CA C 54.7 0.1 1 872 91 ASP HA H 4.92 0.02 1 873 91 ASP CB C 40.7 0.1 1 874 91 ASP HB2 H 2.96 0.02 2 875 91 ASP HB3 H 2.39 0.02 2 876 91 ASP C C 175.9 0.1 1 877 92 ARG N N 122.0 0.1 1 878 92 ARG H H 9.26 0.02 1 879 92 ARG CA C 55.4 0.1 1 880 92 ARG HA H 5.25 0.02 1 881 92 ARG CB C 30.7 0.1 1 882 92 ARG HB2 H 2.52 0.02 2 883 92 ARG HB3 H 1.84 0.02 2 884 92 ARG CG C 26.0 0.1 1 885 92 ARG HG2 H 1.59 0.02 1 886 92 ARG HG3 H 1.59 0.02 1 887 92 ARG CD C 43.8 0.1 1 888 92 ARG HD2 H 3.42 0.02 2 889 92 ARG HD3 H 3.18 0.02 2 890 92 ARG NE N 117.0 0.1 1 891 92 ARG HE H 6.99 0.02 1 892 92 ARG C C 173.2 0.1 1 893 93 THR N N 118.6 0.1 1 894 93 THR H H 8.46 0.02 1 895 93 THR CA C 63.7 0.1 1 896 93 THR HA H 5.38 0.02 1 897 93 THR CB C 70.7 0.1 1 898 93 THR HB H 3.93 0.02 1 899 93 THR HG2 H 1.02 0.02 1 900 93 THR CG2 C 21.8 0.1 1 901 93 THR C C 173.4 0.1 1 902 94 PHE N N 124.4 0.1 1 903 94 PHE H H 9.51 0.02 1 904 94 PHE CA C 56.2 0.1 1 905 94 PHE HA H 5.86 0.02 1 906 94 PHE CB C 42.8 0.1 1 907 94 PHE HB2 H 3.08 0.02 2 908 94 PHE HB3 H 2.81 0.02 2 909 94 PHE C C 175.5 0.1 1 910 95 TYR N N 122.8 0.1 1 911 95 TYR H H 9.57 0.02 1 912 95 TYR CA C 57.8 0.1 1 913 95 TYR HA H 5.29 0.02 1 914 95 TYR CB C 40.3 0.1 1 915 95 TYR HB2 H 2.91 0.02 2 916 95 TYR HB3 H 2.77 0.02 2 917 95 TYR C C 176.0 0.1 1 918 96 VAL N N 122.1 0.1 1 919 96 VAL H H 8.57 0.02 1 920 96 VAL CA C 60.3 0.1 1 921 96 VAL HA H 5.04 0.02 1 922 96 VAL CB C 34.1 0.1 1 923 96 VAL HB H 1.62 0.02 1 924 96 VAL HG2 H 0.25 0.02 2 925 96 VAL CG2 C 21.8 0.1 1 926 96 VAL C C 175.1 0.1 1 927 97 ILE N N 128.4 0.1 1 928 97 ILE H H 9.01 0.02 1 929 97 ILE CA C 61.0 0.1 1 930 97 ILE HA H 4.14 0.02 1 931 97 ILE CB C 40.8 0.1 1 932 97 ILE HB H 1.77 0.02 1 933 97 ILE HG2 H 0.54 0.02 1 934 97 ILE CG2 C 18.3 0.1 1 935 97 ILE CG1 C 28.6 0.1 1 936 97 ILE HG12 H 1.49 0.02 2 937 97 ILE HG13 H 1.12 0.02 2 938 97 ILE HD1 H 0.87 0.02 1 939 97 ILE CD1 C 14.1 0.1 1 940 97 ILE C C 174.2 0.1 1 941 98 ILE N N 126.7 0.1 1 942 98 ILE H H 8.22 0.02 1 943 98 ILE CA C 60.6 0.1 1 944 98 ILE HA H 4.67 0.02 1 945 98 ILE CB C 39.6 0.1 1 946 98 ILE HB H 1.62 0.02 1 947 98 ILE HG2 H 0.80 0.02 1 948 98 ILE CG2 C 18.6 0.1 1 949 98 ILE CG1 C 27.9 0.1 1 950 98 ILE HG12 H 0.73 0.02 1 951 98 ILE HG13 H 0.73 0.02 1 952 98 ILE HD1 H 0.63 0.02 1 953 98 ILE CD1 C 14.7 0.1 1 954 98 ILE C C 179.3 0.1 1 955 99 TYR N N 127.4 0.1 1 956 99 TYR H H 9.41 0.02 1 957 99 TYR CA C 57.2 0.1 1 958 99 TYR HA H 4.90 0.02 1 959 99 TYR CB C 41.2 0.1 1 960 99 TYR HB2 H 3.02 0.02 2 961 99 TYR HB3 H 2.72 0.02 2 962 99 TYR C C 175.7 0.1 1 963 100 GLY N N 108.4 0.1 1 964 100 GLY H H 8.69 0.02 1 965 100 GLY CA C 45.1 0.1 1 966 100 GLY HA2 H 4.43 0.02 2 967 100 GLY HA3 H 4.04 0.02 2 968 101 HIS HA H 4.72 0.02 1 969 101 HIS CB C 31.0 0.1 1 970 101 HIS HB2 H 3.16 0.02 1 971 101 HIS HB3 H 3.16 0.02 1 972 102 ASN CA C 53.5 0.1 1 973 102 ASN HA H 4.48 0.02 1 974 102 ASN CB C 38.8 0.1 1 975 102 ASN HB2 H 2.73 0.02 2 976 102 ASN HB3 H 2.60 0.02 2 977 102 ASN C C 174.3 0.1 1 978 103 MET N N 126.2 0.1 1 979 103 MET H H 7.82 0.02 1 980 103 MET CA C 57.1 0.1 1 981 103 MET HA H 3.87 0.02 1 982 103 MET CB C 32.8 0.1 1 983 103 MET HB2 H 2.21 0.02 2 984 103 MET HB3 H 2.14 0.02 2 985 103 MET CG C 31.8 0.1 1 986 103 MET HG2 H 2.65 0.02 1 987 103 MET HG3 H 2.65 0.02 1 stop_ save_