data_6338 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of At1g77540 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert C. . 2 Singh Shanteri . . 3 Tonelli Marco . . 4 Lee Min . . 5 Markley John L. . stop_ _BMRB_accession_number 6338 _BMRB_flat_file_name bmr6338.str _Entry_type new _Submission_date 2004-10-05 _Accession_date 2004-10-05 _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' 447 '15N chemical shifts' 95 '13C chemical shifts' 367 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR Solution Structure of At1g77540 ; _Citation_status "in preparation" _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert C. . 2 Singh Shanteri . . 3 Tonelli Marco . . 4 Lee Min . . 5 Markley John L. . stop_ _Journal_abbreviation "J. Biol. Chem." _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_molecular_system_At1g77540 _Saveframe_category molecular_system _Mol_system_name At1g77540 _Abbreviation_common At1g77540 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At1g77540 $At1g77540 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_At1g77540 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At1g77540 _Name_variant . _Abbreviation_common At1g77540 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; MATEPPKIVWNEGKRRFETE DHEAFIEYKMRNNGKVMDLV HTYVPSFKRGLGLASHLCVA AFEHASSHSISIIPSCSYVS DTFLPRNPSWKPLIHSEVFK SSI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 GLU 5 PRO 6 PRO 7 LYS 8 ILE 9 VAL 10 TRP 11 ASN 12 GLU 13 GLY 14 LYS 15 ARG 16 ARG 17 PHE 18 GLU 19 THR 20 GLU 21 ASP 22 HIS 23 GLU 24 ALA 25 PHE 26 ILE 27 GLU 28 TYR 29 LYS 30 MET 31 ARG 32 ASN 33 ASN 34 GLY 35 LYS 36 VAL 37 MET 38 ASP 39 LEU 40 VAL 41 HIS 42 THR 43 TYR 44 VAL 45 PRO 46 SER 47 PHE 48 LYS 49 ARG 50 GLY 51 LEU 52 GLY 53 LEU 54 ALA 55 SER 56 HIS 57 LEU 58 CYS 59 VAL 60 ALA 61 ALA 62 PHE 63 GLU 64 HIS 65 ALA 66 SER 67 SER 68 HIS 69 SER 70 ILE 71 SER 72 ILE 73 ILE 74 PRO 75 SER 76 CYS 77 SER 78 TYR 79 VAL 80 SER 81 ASP 82 THR 83 PHE 84 LEU 85 PRO 86 ARG 87 ASN 88 PRO 89 SER 90 TRP 91 LYS 92 PRO 93 LEU 94 ILE 95 HIS 96 SER 97 GLU 98 VAL 99 PHE 100 LYS 101 SER 102 SER 103 ILE stop_ _Sequence_homology_query_date 2004-11-29 _Sequence_homology_query_revised_last_date 2004-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GenBank AAG51659.1 "unknown protein; 48670-48283[Arabidopsis thaliana]" 100.00 103 100 100 7e-56 GenBank AAM62568.1 "unknown [Arabidopsis thaliana]" 90.35 114 100 100 7e-56 PIR H96804 "unknown protein T5M16.13 [imported] -Arabidopsis thaliana" 100.00 103 100 100 7e-56 REF NP_565157.1 "expressed protein [Arabidopsisthaliana]" 90.35 114 100 100 7e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At1g77540 "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 $At1g77540 "recombinant technology" . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details "13C/15N labeled sample" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $At1g77540 ? mM 0.9 1.1 "[U-13C; U-15N]" KHPO4 10 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Invoa _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; NHCO CBCA(CO)NH C(CO)NH HBHA(CO)NH HC(CO)NH CCH-TOCSY HCCH-TOCSY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 300 0.05 K "ionic strength" 0.05 0.005 M 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 0.0 internal direct . . . 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect . . . 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect . . . 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name At1g77540 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 2 ALA CA C 53.247 . 1 2 2 ALA HA H 4.448 . 1 3 2 ALA CB C 19.760 . 1 4 2 ALA HB H 1.441 . 1 5 2 ALA C C 177.774 . 1 6 3 THR N N 113.049 . 1 7 3 THR H H 8.166 . 1 8 3 THR CA C 61.990 . 1 9 3 THR HA H 4.318 . 1 10 3 THR CB C 70.145 . 1 11 3 THR HB H 4.219 . 1 12 3 THR CG2 C 22.181 . 1 13 3 THR HG2 H 1.193 . 1 14 3 THR C C 174.309 . 1 15 4 GLU N N 124.960 . 1 16 4 GLU H H 8.275 . 1 17 4 GLU CA C 54.639 . 1 18 4 GLU CB C 30.255 . 1 19 6 PRO CA C 62.636 . 1 20 6 PRO HA H 4.375 . 1 21 6 PRO CB C 32.358 . 1 22 6 PRO HB3 H 1.688 . 2 23 6 PRO HB2 H 2.214 . 2 24 6 PRO CG C 27.812 . 1 25 6 PRO HG2 H 1.894 . 2 26 6 PRO CD C 49.979 . 1 27 6 PRO HD3 H 2.902 . 2 28 6 PRO HD2 H 3.553 . 2 29 7 LYS N N 122.008 . 1 30 7 LYS H H 8.347 . 1 31 7 LYS CA C 57.028 . 1 32 7 LYS HA H 4.165 . 1 33 7 LYS CB C 32.943 . 1 34 7 LYS HB2 H 1.687 . 2 35 7 LYS CG C 25.382 . 1 36 7 LYS HG2 H 1.238 . 2 37 7 LYS CD C 29.332 . 1 38 7 LYS HD2 H 1.349 . 2 39 7 LYS CE C 42.545 . 1 40 7 LYS HE3 H 2.701 . 2 41 7 LYS HE2 H 2.952 . 2 42 7 LYS C C 175.340 . 1 43 8 ILE N N 126.454 . 1 44 8 ILE H H 8.373 . 1 45 8 ILE CA C 58.628 . 1 46 8 ILE HA H 4.621 . 1 47 8 ILE CB C 38.550 . 1 48 8 ILE HB H 1.829 . 1 49 8 ILE CG1 C 27.813 . 2 50 8 ILE HG12 H 1.240 . 1 51 8 ILE CD1 C 11.556 . 1 52 8 ILE HD1 H 0.573 . 1 53 8 ILE CG2 C 19.585 . 1 54 8 ILE HG2 H 0.894 . 1 55 8 ILE C C 175.804 . 1 56 9 VAL N N 124.416 . 1 57 9 VAL H H 9.603 . 1 58 9 VAL CA C 60.097 . 1 59 9 VAL HA H 4.664 . 1 60 9 VAL CB C 35.583 . 1 61 9 VAL HB H 2.182 . 1 62 9 VAL CG2 C 21.976 . 1 63 9 VAL HG2 H 0.932 . 2 64 9 VAL CG1 C 20.135 . 1 65 9 VAL HG1 H 0.905 . 2 66 9 VAL C C 174.778 . 1 67 10 TRP N N 124.800 . 1 68 10 TRP H H 8.906 . 1 69 10 TRP CA C 55.571 . 1 70 10 TRP HA H 4.630 . 1 71 10 TRP CB C 29.264 . 1 72 10 TRP HB3 H 2.947 . 2 73 10 TRP HB2 H 3.433 . 2 74 10 TRP HD1 H 5.491 . 1 75 10 TRP NE1 N 126.588 . 1 76 10 TRP HE1 H 9.767 . 3 77 10 TRP C C 174.621 . 1 78 11 ASN N N 130.539 . 1 79 11 ASN H H 8.985 . 1 80 11 ASN CA C 50.763 . 1 81 11 ASN HA H 4.505 . 1 82 11 ASN CB C 37.859 . 1 83 11 ASN HB3 H 2.251 . 2 84 11 ASN HB2 H 2.807 . 2 85 11 ASN C C 173.645 . 1 86 12 GLU N N 124.956 . 1 87 12 GLU H H 7.537 . 1 88 12 GLU CA C 59.679 . 1 89 12 GLU HA H 3.262 . 1 90 12 GLU CB C 29.330 . 1 91 12 GLU HB3 H 0.339 . 2 92 12 GLU HB2 H 1.185 . 2 93 12 GLU CG C 36.180 . 1 94 12 GLU HG2 H 1.783 . 2 95 12 GLU C C 179.824 . 1 96 13 GLY N N 106.735 . 1 97 13 GLY H H 8.508 . 1 98 13 GLY CA C 46.978 . 1 99 13 GLY HA3 H 3.746 . 2 100 13 GLY HA2 H 3.703 . 2 101 13 GLY C C 175.296 . 1 102 14 LYS N N 116.611 . 1 103 14 LYS H H 6.853 . 1 104 14 LYS CA C 54.659 . 1 105 14 LYS HA H 4.165 . 1 106 14 LYS CB C 32.996 . 1 107 14 LYS HB3 H 0.925 . 2 108 14 LYS HB2 H 1.546 . 2 109 14 LYS CG C 25.309 . 1 110 14 LYS HG3 H 1.259 . 2 111 14 LYS HG2 H 1.093 . 2 112 14 LYS CD C 28.881 . 1 113 14 LYS HD2 H 1.330 . 2 114 14 LYS CE C 42.502 . 1 115 14 LYS HE2 H 2.700 . 2 116 14 LYS C C 174.354 . 1 117 15 ARG N N 118.568 . 1 118 15 ARG H H 7.639 . 1 119 15 ARG CA C 57.437 . 1 120 15 ARG HA H 3.174 . 1 121 15 ARG CB C 26.633 . 1 122 15 ARG HB3 H 1.091 . 2 123 15 ARG HB2 H 1.734 . 2 124 15 ARG CG C 28.298 . 1 125 15 ARG HG2 H 1.372 . 2 126 15 ARG CD C 44.342 . 1 127 15 ARG HD2 H 3.125 . 2 128 15 ARG C C 173.150 . 1 129 16 ARG N N 110.368 . 1 130 16 ARG H H 7.511 . 1 131 16 ARG CA C 54.402 . 1 132 16 ARG HA H 3.887 . 1 133 16 ARG CB C 35.824 . 1 134 16 ARG HB3 H 1.252 . 2 135 16 ARG HB2 H 1.817 . 2 136 16 ARG CG C 26.362 . 1 137 16 ARG HG2 H 1.477 . 2 138 16 ARG CD C 44.151 . 1 139 16 ARG HD2 H 2.407 . 2 140 16 ARG C C 175.721 . 1 141 17 PHE N N 120.007 . 1 142 17 PHE H H 8.730 . 1 143 17 PHE CA C 58.418 . 1 144 17 PHE HA H 5.303 . 1 145 17 PHE CB C 39.649 . 1 146 17 PHE HB3 H 2.688 . 2 147 17 PHE HB2 H 2.969 . 2 148 17 PHE HD1 H 7.020 . 3 149 17 PHE HE1 H 6.620 . 3 150 17 PHE C C 174.905 . 1 151 18 GLU N N 119.454 . 1 152 18 GLU H H 9.554 . 1 153 18 GLU CA C 54.231 . 1 154 18 GLU HA H 5.946 . 1 155 18 GLU CB C 35.752 . 1 156 18 GLU HB3 H 2.062 . 2 157 18 GLU HB2 H 2.367 . 2 158 18 GLU CG C 34.481 . 1 159 18 GLU HG2 H 2.124 . 2 160 18 GLU C C 176.036 . 1 161 19 THR N N 109.626 . 1 162 19 THR H H 8.536 . 1 163 19 THR CA C 62.271 . 1 164 19 THR HA H 4.721 . 1 165 19 THR CB C 69.815 . 1 166 19 THR HB H 4.721 . 1 167 19 THR CG2 C 26.148 . 1 168 19 THR HG2 H 1.283 . 1 169 19 THR C C 177.932 . 1 170 20 GLU N N 120.696 . 1 171 20 GLU H H 8.817 . 1 172 20 GLU CA C 60.052 . 1 173 20 GLU HA H 3.753 . 1 174 20 GLU CB C 30.625 . 1 175 20 GLU HB3 H 1.989 . 2 176 20 GLU HB2 H 2.082 . 2 177 20 GLU CG C 38.159 . 1 178 20 GLU HG2 H 2.212 . 2 179 20 GLU C C 176.657 . 1 180 21 ASP N N 114.106 . 1 181 21 ASP H H 7.590 . 1 182 21 ASP CA C 53.534 . 1 183 21 ASP HA H 4.182 . 1 184 21 ASP CB C 40.564 . 1 185 21 ASP HB3 H 2.597 . 2 186 21 ASP HB2 H 3.161 . 2 187 21 ASP C C 176.410 . 1 188 22 HIS N N 111.204 . 1 189 22 HIS H H 8.193 . 1 190 22 HIS CA C 56.982 . 1 191 22 HIS HA H 4.240 . 1 192 22 HIS CB C 27.680 . 1 193 22 HIS HB3 H 3.282 . 2 194 22 HIS HB2 H 3.738 . 2 195 22 HIS HD2 H 7.100 . 3 196 22 HIS C C 175.821 . 1 197 23 GLU N N 118.506 . 1 198 23 GLU H H 8.156 . 1 199 23 GLU CA C 58.903 . 1 200 23 GLU HA H 4.343 . 1 201 23 GLU CB C 31.318 . 1 202 23 GLU HB2 H 2.114 . 2 203 23 GLU CG C 35.889 . 1 204 23 GLU HG2 H 2.330 . 2 205 23 GLU C C 175.424 . 1 206 24 ALA N N 117.972 . 1 207 24 ALA H H 7.553 . 1 208 24 ALA CA C 50.199 . 1 209 24 ALA HA H 5.128 . 1 210 24 ALA CB C 23.269 . 1 211 24 ALA HB H 1.363 . 1 212 24 ALA C C 175.100 . 1 213 25 PHE N N 115.582 . 1 214 25 PHE H H 8.708 . 1 215 25 PHE CA C 57.085 . 1 216 25 PHE HA H 5.854 . 1 217 25 PHE CB C 42.460 . 1 218 25 PHE HB3 H 2.891 . 2 219 25 PHE HB2 H 3.503 . 2 220 25 PHE HD1 H 6.870 . 3 221 25 PHE C C 172.689 . 1 222 26 ILE N N 118.225 . 1 223 26 ILE H H 9.410 . 1 224 26 ILE CA C 59.880 . 1 225 26 ILE HA H 5.482 . 1 226 26 ILE CB C 42.771 . 1 227 26 ILE HB H 1.619 . 1 228 26 ILE CG1 C 28.545 . 2 229 26 ILE HG12 H 1.900 . 1 230 26 ILE CD1 C 16.800 . 1 231 26 ILE HD1 H 0.784 . 1 232 26 ILE CG2 C 17.940 . 1 233 26 ILE HG2 H 1.710 . 1 234 26 ILE C C 174.113 . 1 235 27 GLU N N 128.275 . 1 236 27 GLU H H 9.252 . 1 237 27 GLU CA C 54.881 . 1 238 27 GLU HA H 5.374 . 1 239 27 GLU CB C 34.151 . 1 240 27 GLU HB2 H 2.216 . 2 241 27 GLU CG C 37.875 . 1 242 27 GLU HG2 H 2.536 . 2 243 27 GLU C C 175.144 . 1 244 28 TYR N N 120.383 . 1 245 28 TYR H H 8.405 . 1 246 28 TYR CA C 55.278 . 1 247 28 TYR HA H 6.169 . 1 248 28 TYR CB C 44.880 . 1 249 28 TYR HB3 H 2.662 . 2 250 28 TYR HB2 H 3.025 . 2 251 28 TYR HD1 H 6.660 . 3 252 28 TYR C C 173.476 . 1 253 29 LYS N N 117.619 . 1 254 29 LYS H H 9.233 . 1 255 29 LYS CA C 55.667 . 1 256 29 LYS HA H 4.666 . 1 257 29 LYS CB C 37.120 . 1 258 29 LYS HB3 H 1.651 . 2 259 29 LYS HB2 H 1.866 . 2 260 29 LYS CG C 26.040 . 1 261 29 LYS HG2 H 1.443 . 2 262 29 LYS CD C 29.810 . 1 263 29 LYS HD2 H 1.698 . 2 264 29 LYS CE C 42.725 . 1 265 29 LYS HE2 H 2.967 . 2 266 29 LYS C C 175.956 . 1 267 30 MET N N 122.014 . 1 268 30 MET H H 9.252 . 1 269 30 MET CA C 53.494 . 1 270 30 MET HA H 5.560 . 1 271 30 MET CB C 31.366 . 1 272 30 MET HB3 H 1.924 . 2 273 30 MET HB2 H 2.244 . 2 274 30 MET HG3 H 2.713 . 2 275 30 MET HG2 H 3.042 . 2 276 30 MET C C 176.782 . 1 277 31 ARG N N 121.635 . 1 278 31 ARG H H 9.467 . 1 279 31 ARG CA C 54.048 . 1 280 31 ARG HA H 4.782 . 1 281 31 ARG CB C 34.117 . 1 282 31 ARG HB3 H 1.382 . 2 283 31 ARG HB2 H 1.923 . 2 284 31 ARG CG C 27.856 . 1 285 31 ARG HG2 H 1.650 . 2 286 31 ARG CD C 44.008 . 1 287 31 ARG HD3 H 2.993 . 2 288 31 ARG HD2 H 3.131 . 2 289 31 ARG C C 175.407 . 1 290 32 ASN N N 118.358 . 1 291 32 ASN H H 9.046 . 1 292 32 ASN CA C 54.215 . 1 293 32 ASN HA H 4.270 . 1 294 32 ASN CB C 36.557 . 1 295 32 ASN HB3 H 2.499 . 2 296 32 ASN HB2 H 2.946 . 2 297 32 ASN C C 176.033 . 1 298 33 ASN N N 115.786 . 1 299 33 ASN H H 8.977 . 1 300 33 ASN CA C 54.390 . 1 301 33 ASN HA H 4.320 . 1 302 33 ASN CB C 37.735 . 1 303 33 ASN HB3 H 2.749 . 2 304 33 ASN HB2 H 3.084 . 2 305 33 ASN C C 175.274 . 1 306 34 GLY N N 103.905 . 1 307 34 GLY H H 7.831 . 1 308 34 GLY CA C 45.964 . 1 309 34 GLY HA3 H 3.491 . 2 310 34 GLY HA2 H 4.240 . 2 311 34 GLY C C 174.103 . 1 312 35 LYS N N 117.011 . 1 313 35 LYS H H 7.450 . 1 314 35 LYS CA C 56.933 . 1 315 35 LYS HA H 4.450 . 1 316 35 LYS CB C 33.762 . 1 317 35 LYS HB3 H 1.941 . 2 318 35 LYS HB2 H 2.093 . 2 319 35 LYS CG C 25.535 . 1 320 35 LYS HG3 H 1.641 . 2 321 35 LYS HG2 H 1.540 . 2 322 35 LYS CD C 28.876 . 1 323 35 LYS HD2 H 1.759 . 2 324 35 LYS CE C 42.502 . 1 325 35 LYS HE2 H 3.088 . 2 326 35 LYS C C 175.745 . 1 327 36 VAL N N 118.433 . 1 328 36 VAL H H 7.758 . 1 329 36 VAL CA C 60.661 . 1 330 36 VAL HA H 4.527 . 1 331 36 VAL CB C 35.916 . 1 332 36 VAL HB H 1.377 . 1 333 36 VAL CG1 C 21.464 . 1 334 36 VAL HG1 H 0.383 . 2 335 36 VAL C C 172.723 . 1 336 37 MET N N 128.944 . 1 337 37 MET H H 9.196 . 1 338 37 MET CA C 54.993 . 1 339 37 MET HA H 4.773 . 1 340 37 MET CB C 36.933 . 1 341 37 MET HB3 H 1.511 . 2 342 37 MET HB2 H 1.840 . 2 343 37 MET C C 172.670 . 1 344 38 ASP N N 129.021 . 1 345 38 ASP H H 9.328 . 1 346 38 ASP CA C 52.773 . 1 347 38 ASP HA H 5.185 . 1 348 38 ASP CB C 42.648 . 1 349 38 ASP HB3 H 2.075 . 2 350 38 ASP HB2 H 3.250 . 2 351 38 ASP C C 176.832 . 1 352 39 LEU N N 125.502 . 1 353 39 LEU H H 8.852 . 1 354 39 LEU CA C 54.661 . 1 355 39 LEU HA H 4.621 . 1 356 39 LEU CB C 41.623 . 1 357 39 LEU HB3 H 1.279 . 2 358 39 LEU HB2 H 2.081 . 2 359 39 LEU CG C 27.789 . 1 360 39 LEU HG H 1.657 . 1 361 39 LEU CD1 C 23.047 . 1 362 39 LEU HD1 H 0.711 . 2 363 39 LEU C C 175.134 . 1 364 40 VAL N N 118.260 . 1 365 40 VAL H H 8.400 . 1 366 40 VAL CA C 63.916 . 1 367 40 VAL HA H 4.249 . 1 368 40 VAL CB C 33.973 . 1 369 40 VAL HB H 2.135 . 1 370 40 VAL CG2 C 22.247 . 1 371 40 VAL HG2 H 0.884 . 2 372 40 VAL CG1 C 19.424 . 1 373 40 VAL HG1 H 0.852 . 2 374 40 VAL C C 177.134 . 1 375 41 HIS N N 117.776 . 1 376 41 HIS H H 7.497 . 1 377 41 HIS CA C 56.766 . 1 378 41 HIS HA H 5.251 . 1 379 41 HIS CB C 33.376 . 1 380 41 HIS HB3 H 3.164 . 2 381 41 HIS HB2 H 3.301 . 2 382 41 HIS HD2 H 7.120 . 3 383 41 HIS C C 172.193 . 1 384 42 THR N N 129.172 . 1 385 42 THR H H 8.566 . 1 386 42 THR CA C 63.573 . 1 387 42 THR HA H 4.470 . 1 388 42 THR CB C 67.959 . 1 389 42 THR HB H 3.737 . 1 390 42 THR CG2 C 21.014 . 1 391 42 THR HG2 H 0.653 . 1 392 42 THR C C 172.613 . 1 393 43 TYR N N 128.345 . 1 394 43 TYR H H 9.156 . 1 395 43 TYR CA C 57.903 . 1 396 43 TYR HA H 4.276 . 1 397 43 TYR CB C 40.616 . 1 398 43 TYR HB3 H 1.296 . 2 399 43 TYR HB2 H 1.766 . 2 400 43 TYR HD1 H 6.932 . 3 401 43 TYR HE1 H 6.846 . 3 402 43 TYR C C 172.023 . 1 403 44 VAL N N 125.606 . 1 404 44 VAL H H 7.375 . 1 405 44 VAL CA C 58.016 . 1 406 44 VAL HA H 3.947 . 1 407 44 VAL CB C 34.949 . 1 408 44 VAL HB H 1.560 . 1 409 44 VAL CG2 C 21.610 . 1 410 44 VAL HG2 H 0.623 . 2 411 44 VAL CG1 C 20.877 . 1 412 44 VAL HG1 H 0.454 . 2 413 45 PRO HD2 H 3.463 . 2 414 46 SER HA H 3.905 . 1 415 47 PHE N N 115.415 . 1 416 47 PHE H H 7.312 . 1 417 47 PHE CA C 57.957 . 1 418 47 PHE HA H 4.704 . 1 419 47 PHE CB C 37.892 . 1 420 47 PHE HB3 H 3.082 . 2 421 47 PHE HB2 H 3.435 . 2 422 47 PHE HD1 H 7.284 . 3 423 47 PHE HE1 H 7.410 . 3 424 47 PHE C C 175.654 . 1 425 48 LYS N N 120.012 . 1 426 48 LYS H H 7.548 . 1 427 48 LYS CA C 55.242 . 1 428 48 LYS HA H 4.418 . 1 429 48 LYS CB C 33.446 . 1 430 48 LYS HB3 H 1.050 . 2 431 48 LYS HB2 H 2.000 . 2 432 48 LYS CG C 25.228 . 1 433 48 LYS HG3 H 1.011 . 2 434 48 LYS HG2 H 0.827 . 2 435 48 LYS CD C 29.581 . 1 436 48 LYS HD2 H 1.420 . 2 437 48 LYS CE C 41.827 . 1 438 48 LYS HE2 H 2.931 . 2 439 48 LYS C C 175.199 . 1 440 49 ARG N N 119.548 . 1 441 49 ARG H H 7.217 . 1 442 49 ARG CA C 57.677 . 1 443 49 ARG HA H 4.092 . 1 444 49 ARG CB C 30.817 . 1 445 49 ARG HB2 H 1.867 . 2 446 49 ARG CG C 27.918 . 1 447 49 ARG HG2 H 1.632 . 2 448 49 ARG CD C 43.383 . 1 449 49 ARG HD2 H 3.159 . 2 450 49 ARG C C 176.850 . 1 451 50 GLY N N 109.400 . 1 452 50 GLY H H 8.990 . 1 453 50 GLY CA C 46.424 . 1 454 50 GLY HA3 H 3.873 . 2 455 50 GLY HA2 H 4.114 . 2 456 50 GLY C C 174.905 . 1 457 51 LEU N N 120.198 . 1 458 51 LEU H H 8.139 . 1 459 51 LEU CA C 54.941 . 1 460 51 LEU HA H 4.531 . 1 461 51 LEU CB C 43.651 . 1 462 51 LEU HB2 H 1.653 . 2 463 51 LEU CG C 25.512 . 1 464 51 LEU HG H 1.420 . 1 465 51 LEU CD1 C 22.988 . 1 466 51 LEU HD1 H 0.871 . 2 467 51 LEU C C 177.718 . 1 468 52 GLY N N 110.748 . 1 469 52 GLY H H 8.745 . 1 470 52 GLY CA C 46.726 . 1 471 52 GLY HA2 H 3.954 . 2 472 52 GLY C C 176.114 . 1 473 53 LEU N N 118.922 . 1 474 53 LEU H H 8.205 . 1 475 53 LEU CA C 58.654 . 1 476 53 LEU HA H 3.909 . 1 477 53 LEU CB C 42.716 . 1 478 53 LEU HB3 H 1.191 . 2 479 53 LEU HB2 H 1.722 . 2 480 53 LEU CG C 27.927 . 1 481 53 LEU HG H 1.550 . 1 482 53 LEU CD1 C 24.846 . 1 483 53 LEU HD1 H 0.864 . 2 484 53 LEU C C 177.684 . 1 485 54 ALA N N 120.404 . 1 486 54 ALA H H 8.540 . 1 487 54 ALA CA C 56.410 . 1 488 54 ALA HA H 3.458 . 1 489 54 ALA CB C 16.517 . 1 490 54 ALA HB H 0.553 . 1 491 54 ALA C C 178.979 . 1 492 55 SER N N 111.284 . 1 493 55 SER H H 7.624 . 1 494 55 SER CA C 62.932 . 1 495 55 SER HA H 4.247 . 1 496 55 SER HB2 H 3.968 . 2 497 55 SER C C 176.083 . 1 498 56 HIS N N 119.227 . 1 499 56 HIS H H 7.571 . 1 500 56 HIS CA C 60.067 . 1 501 56 HIS HA H 4.424 . 1 502 56 HIS CB C 30.971 . 1 503 56 HIS HB2 H 3.007 . 2 504 56 HIS HD2 H 6.903 . 3 505 56 HIS C C 179.179 . 1 506 57 LEU N N 121.398 . 1 507 57 LEU H H 8.533 . 1 508 57 LEU CA C 59.032 . 1 509 57 LEU HA H 3.812 . 1 510 57 LEU CB C 41.932 . 1 511 57 LEU HB3 H 1.121 . 2 512 57 LEU HB2 H 1.954 . 2 513 57 LEU CG C 26.678 . 1 514 57 LEU HG H 1.541 . 1 515 57 LEU CD1 C 24.357 . 1 516 57 LEU HD1 H 0.851 . 2 517 57 LEU HD2 H 0.487 . 2 518 57 LEU C C 177.331 . 1 519 58 CYS N N 115.952 . 1 520 58 CYS H H 7.275 . 1 521 58 CYS CA C 64.855 . 1 522 58 CYS HA H 3.569 . 1 523 58 CYS CB C 25.286 . 1 524 58 CYS HB3 H 0.712 . 2 525 58 CYS HB2 H 2.299 . 2 526 58 CYS C C 176.382 . 1 527 59 VAL N N 119.617 . 1 528 59 VAL H H 8.312 . 1 529 59 VAL CA C 68.180 . 1 530 59 VAL HA H 3.032 . 1 531 59 VAL CB C 32.083 . 1 532 59 VAL HB H 2.096 . 1 533 59 VAL CG2 C 24.484 . 1 534 59 VAL HG2 H 1.318 . 2 535 59 VAL CG1 C 22.197 . 1 536 59 VAL HG1 H 1.037 . 2 537 59 VAL C C 176.722 . 1 538 60 ALA N N 119.513 . 1 539 60 ALA H H 7.342 . 1 540 60 ALA CA C 55.324 . 1 541 60 ALA HA H 3.915 . 1 542 60 ALA CB C 18.617 . 1 543 60 ALA HB H 1.304 . 1 544 60 ALA C C 180.069 . 1 545 61 ALA N N 120.981 . 1 546 61 ALA H H 7.138 . 1 547 61 ALA CA C 54.729 . 1 548 61 ALA HA H 2.492 . 1 549 61 ALA CB C 18.810 . 1 550 61 ALA HB H 0.841 . 1 551 61 ALA C C 178.665 . 1 552 62 PHE N N 117.876 . 1 553 62 PHE H H 8.122 . 1 554 62 PHE CA C 62.535 . 1 555 62 PHE HA H 3.376 . 1 556 62 PHE CB C 35.772 . 1 557 62 PHE HB3 H 1.051 . 2 558 62 PHE HB2 H 1.706 . 2 559 62 PHE HD1 H 7.121 . 3 560 62 PHE HE1 H 6.891 . 3 561 62 PHE C C 178.228 . 1 562 63 GLU N N 119.595 . 1 563 63 GLU H H 8.886 . 1 564 63 GLU CA C 60.134 . 1 565 63 GLU HA H 4.086 . 1 566 63 GLU CB C 29.695 . 1 567 63 GLU HB2 H 2.027 . 2 568 63 GLU CG C 37.703 . 1 569 63 GLU HG3 H 2.444 . 2 570 63 GLU HG2 H 2.667 . 2 571 63 GLU C C 180.341 . 1 572 64 HIS N N 120.903 . 1 573 64 HIS H H 7.745 . 1 574 64 HIS CA C 60.516 . 1 575 64 HIS HA H 3.997 . 1 576 64 HIS CB C 31.311 . 1 577 64 HIS HB3 H 2.779 . 2 578 64 HIS HB2 H 2.955 . 2 579 64 HIS C C 178.475 . 1 580 65 ALA N N 123.381 . 1 581 65 ALA H H 8.357 . 1 582 65 ALA CA C 56.235 . 1 583 65 ALA HA H 3.733 . 1 584 65 ALA CB C 17.950 . 1 585 65 ALA HB H 1.339 . 1 586 65 ALA C C 179.494 . 1 587 66 SER N N 111.510 . 1 588 66 SER H H 8.608 . 1 589 66 SER CA C 61.426 . 1 590 66 SER HA H 4.316 . 1 591 66 SER CB C 63.732 . 1 592 66 SER C C 178.575 . 1 593 67 SER N N 114.548 . 1 594 67 SER H H 8.223 . 1 595 67 SER CA C 60.839 . 1 596 67 SER HA H 4.292 . 1 597 67 SER CB C 63.628 . 1 598 67 SER HB2 H 3.867 . 2 599 67 SER C C 175.448 . 1 600 68 HIS N N 117.149 . 1 601 68 HIS H H 7.694 . 1 602 68 HIS CA C 56.822 . 1 603 68 HIS HA H 4.555 . 1 604 68 HIS CB C 29.019 . 1 605 68 HIS HB3 H 2.338 . 2 606 68 HIS HB2 H 3.434 . 2 607 68 HIS HD1 H 6.826 . 3 608 68 HIS C C 172.823 . 1 609 69 SER N N 113.951 . 1 610 69 SER H H 7.789 . 1 611 69 SER CA C 59.404 . 1 612 69 SER HA H 4.178 . 1 613 69 SER CB C 61.456 . 1 614 69 SER C C 173.636 . 1 615 70 ILE N N 117.875 . 1 616 70 ILE H H 8.153 . 1 617 70 ILE CA C 60.100 . 1 618 70 ILE HA H 4.583 . 1 619 70 ILE CB C 42.106 . 1 620 70 ILE HB H 1.643 . 1 621 70 ILE CG1 C 27.262 . 2 622 70 ILE HG12 H 1.409 . 1 623 70 ILE CD1 C 15.117 . 1 624 70 ILE HD1 H 0.894 . 1 625 70 ILE CG2 C 19.098 . 1 626 70 ILE C C 174.758 . 1 627 71 SER N N 116.374 . 1 628 71 SER H H 7.683 . 1 629 71 SER CA C 57.409 . 1 630 71 SER HA H 5.661 . 1 631 71 SER CB C 65.894 . 1 632 71 SER HB2 H 5.204 . 2 633 71 SER C C 173.423 . 1 634 72 ILE N N 120.053 . 1 635 72 ILE H H 8.725 . 1 636 72 ILE CA C 59.100 . 1 637 72 ILE HA H 5.306 . 1 638 72 ILE CB C 42.852 . 1 639 72 ILE HB H 1.294 . 1 640 72 ILE CG1 C 28.019 . 2 641 72 ILE HG13 H 0.814 . 1 642 72 ILE HG12 H 0.743 . 1 643 72 ILE CD1 C 12.320 . 1 644 72 ILE HD1 H -0.156 . 1 645 72 ILE CG2 C 17.403 . 1 646 72 ILE HG2 H 0.427 . 1 647 72 ILE C C 176.989 . 1 648 73 ILE N N 126.678 . 1 649 73 ILE H H 8.636 . 1 650 73 ILE CA C 58.005 . 1 651 73 ILE HA H 4.892 . 1 652 73 ILE CB C 41.237 . 1 653 73 ILE HB H 1.612 . 1 654 74 PRO CA C 60.328 . 1 655 74 PRO HA H 4.850 . 1 656 74 PRO CB C 30.204 . 1 657 74 PRO HB3 H 1.514 . 2 658 74 PRO HB2 H 2.253 . 2 659 74 PRO CG C 27.122 . 1 660 74 PRO HG2 H 2.030 . 2 661 74 PRO CD C 50.433 . 1 662 74 PRO HD2 H 4.050 . 2 663 75 SER N N 121.447 . 1 664 75 SER H H 7.759 . 1 665 75 SER CA C 63.641 . 1 666 75 SER HA H 4.156 . 1 667 75 SER CB C 62.144 . 1 668 75 SER HB2 H 3.807 . 2 669 75 SER C C 175.613 . 1 670 76 CYS N N 124.611 . 1 671 76 CYS H H 8.201 . 1 672 76 CYS CA C 60.637 . 1 673 76 CYS HA H 4.128 . 1 674 76 CYS CB C 29.541 . 1 675 76 CYS HB3 H 2.565 . 2 676 76 CYS HB2 H 2.734 . 2 677 76 CYS C C 176.635 . 1 678 77 SER N N 125.258 . 1 679 77 SER H H 8.674 . 1 680 77 SER CA C 61.294 . 1 681 77 SER HA H 4.460 . 1 682 77 SER CB C 63.460 . 1 683 77 SER HB2 H 4.028 . 2 684 77 SER C C 177.783 . 1 685 78 TYR N N 130.081 . 1 686 78 TYR H H 10.133 . 1 687 78 TYR CA C 63.923 . 1 688 78 TYR HA H 4.142 . 1 689 78 TYR CB C 38.634 . 1 690 78 TYR HB3 H 3.238 . 2 691 78 TYR HB2 H 3.158 . 2 692 78 TYR HD1 H 6.890 . 3 693 78 TYR HE1 H 6.700 . 3 694 78 TYR C C 178.876 . 1 695 79 VAL N N 121.970 . 1 696 79 VAL H H 8.066 . 1 697 79 VAL CA C 66.766 . 1 698 79 VAL HA H 3.663 . 1 699 79 VAL CB C 32.680 . 1 700 79 VAL HB H 2.279 . 1 701 79 VAL HG2 H 1.360 . 2 702 79 VAL CG1 C 23.504 . 1 703 79 VAL HG1 H 1.189 . 2 704 79 VAL C C 177.571 . 1 705 80 SER N N 111.020 . 1 706 80 SER H H 8.549 . 1 707 80 SER CA C 62.226 . 1 708 80 SER HA H 4.123 . 1 709 80 SER CB C 63.521 . 1 710 80 SER C C 176.039 . 1 711 81 ASP N N 117.814 . 1 712 81 ASP H H 8.362 . 1 713 81 ASP CA C 55.764 . 1 714 81 ASP HA H 4.768 . 1 715 81 ASP CB C 41.305 . 1 716 81 ASP HB3 H 2.651 . 2 717 81 ASP HB2 H 2.939 . 2 718 81 ASP C C 176.969 . 1 719 82 THR N N 115.189 . 1 720 82 THR H H 7.409 . 1 721 82 THR CA C 65.203 . 1 722 82 THR HA H 4.271 . 1 723 82 THR CB C 69.264 . 1 724 82 THR HB H 3.248 . 1 725 82 THR CG2 C 22.600 . 1 726 82 THR HG2 H 0.959 . 1 727 82 THR C C 173.922 . 1 728 83 PHE N N 121.170 . 1 729 83 PHE H H 8.206 . 1 730 83 PHE CA C 63.173 . 1 731 83 PHE HA H 3.989 . 1 732 83 PHE CB C 41.112 . 1 733 83 PHE HB3 H 3.218 . 2 734 83 PHE HB2 H 3.177 . 2 735 83 PHE HD1 H 6.808 . 3 736 83 PHE C C 177.930 . 1 737 84 LEU N N 119.657 . 1 738 84 LEU H H 8.583 . 1 739 84 LEU CA C 59.647 . 1 740 84 LEU HA H 3.882 . 1 741 84 LEU CB C 40.242 . 1 742 84 LEU HB3 H 1.457 . 2 743 84 LEU HB2 H 2.054 . 2 744 84 LEU HG H 1.776 . 1 745 84 LEU HD1 H 1.066 . 2 746 84 LEU HD2 H 0.875 . 2 747 85 PRO CA C 66.031 . 1 748 85 PRO HA H 4.135 . 1 749 85 PRO CB C 31.628 . 1 750 85 PRO HB3 H 1.573 . 2 751 85 PRO HB2 H 2.289 . 2 752 85 PRO CG C 28.889 . 1 753 85 PRO HG2 H 1.884 . 2 754 85 PRO CD C 50.210 . 1 755 85 PRO HD3 H 2.906 . 2 756 85 PRO HD2 H 3.585 . 2 757 85 PRO C C 178.127 . 1 758 86 ARG N N 111.780 . 1 759 86 ARG H H 6.599 . 1 760 86 ARG CA C 56.523 . 1 761 86 ARG HA H 4.177 . 1 762 86 ARG CB C 31.735 . 1 763 86 ARG HB2 H 1.592 . 2 764 86 ARG CG C 28.117 . 1 765 86 ARG CD C 43.759 . 1 766 86 ARG HD2 H 3.085 . 2 767 86 ARG C C 177.134 . 1 768 87 ASN N N 118.040 . 1 769 87 ASN H H 7.513 . 1 770 87 ASN CA C 51.743 . 1 771 87 ASN HA H 5.010 . 1 772 87 ASN CB C 41.009 . 1 773 87 ASN HB3 H 1.706 . 2 774 87 ASN HB2 H 2.113 . 2 775 88 PRO CA C 65.238 . 1 776 88 PRO CB C 32.099 . 1 777 88 PRO HB3 H 2.222 . 2 778 88 PRO HB2 H 1.979 . 2 779 88 PRO CG C 27.613 . 1 780 88 PRO CD C 50.750 . 1 781 89 SER N N 117.427 . 1 782 89 SER H H 8.354 . 1 783 89 SER CA C 61.103 . 1 784 89 SER HA H 4.005 . 1 785 89 SER CB C 62.297 . 1 786 89 SER HB2 H 3.503 . 2 787 89 SER C C 175.071 . 1 788 90 TRP N N 118.912 . 1 789 90 TRP H H 7.344 . 1 790 90 TRP CA C 56.952 . 1 791 90 TRP HA H 4.982 . 1 792 90 TRP CB C 31.308 . 1 793 90 TRP HB3 H 2.490 . 2 794 90 TRP HB2 H 3.465 . 2 795 90 TRP NE1 N 126.974 . 1 796 90 TRP HE1 H 10.326 . 3 797 90 TRP C C 176.360 . 1 798 91 LYS N N 120.111 . 1 799 91 LYS H H 7.616 . 1 800 91 LYS CA C 61.719 . 1 801 91 LYS HA H 4.117 . 1 802 91 LYS CB C 31.216 . 1 803 91 LYS HB2 H 1.979 . 2 804 92 PRO CA C 66.074 . 1 805 92 PRO HA H 4.489 . 1 806 92 PRO CB C 31.778 . 1 807 92 PRO HB3 H 2.461 . 2 808 92 PRO HB2 H 1.780 . 2 809 92 PRO CG C 28.611 . 1 810 92 PRO HG2 H 2.040 . 2 811 92 PRO CD C 51.675 . 1 812 92 PRO HD2 H 3.565 . 2 813 92 PRO C C 176.582 . 1 814 93 LEU N N 116.946 . 1 815 93 LEU H H 7.901 . 1 816 93 LEU CA C 55.113 . 1 817 93 LEU HA H 4.502 . 1 818 93 LEU CB C 43.258 . 1 819 93 LEU HB3 H 2.066 . 2 820 93 LEU HB2 H 2.268 . 2 821 93 LEU CG C 29.407 . 1 822 93 LEU HG H 2.231 . 1 823 93 LEU CD1 C 25.902 . 1 824 93 LEU HD1 H 1.225 . 2 825 93 LEU C C 176.601 . 1 826 94 ILE N N 119.271 . 1 827 94 ILE H H 7.900 . 1 828 94 ILE CA C 59.589 . 1 829 94 ILE HA H 4.618 . 1 830 94 ILE CB C 36.216 . 1 831 94 ILE HB H 2.313 . 1 832 94 ILE CG1 C 27.832 . 2 833 94 ILE HG12 H 1.892 . 1 834 94 ILE CD1 C 17.710 . 1 835 94 ILE HD1 H 1.059 . 1 836 94 ILE CG2 C 21.770 . 1 837 94 ILE HG2 H 1.653 . 1 838 94 ILE C C 177.094 . 1 839 95 HIS N N 129.375 . 1 840 95 HIS H H 9.230 . 1 841 95 HIS CA C 57.690 . 1 842 95 HIS HA H 4.460 . 1 843 95 HIS CB C 31.759 . 1 844 95 HIS HB2 H 2.856 . 2 845 95 HIS C C 174.767 . 1 846 96 SER N N 120.277 . 1 847 96 SER H H 7.868 . 1 848 96 SER CA C 58.063 . 1 849 96 SER HA H 4.324 . 1 850 96 SER CB C 64.291 . 1 851 96 SER HB2 H 3.727 . 2 852 96 SER C C 173.782 . 1 853 97 GLU N N 122.717 . 1 854 97 GLU H H 8.047 . 1 855 97 GLU CA C 56.703 . 1 856 97 GLU HA H 4.200 . 1 857 97 GLU CB C 30.912 . 1 858 97 GLU HB3 H 1.807 . 2 859 97 GLU HB2 H 1.976 . 2 860 97 GLU CG C 36.562 . 1 861 97 GLU HG2 H 2.151 . 2 862 97 GLU C C 176.075 . 1 863 98 VAL N N 120.267 . 1 864 98 VAL H H 7.980 . 1 865 98 VAL CA C 62.835 . 1 866 98 VAL HA H 3.985 . 1 867 98 VAL CB C 33.097 . 1 868 98 VAL HB H 1.936 . 1 869 98 VAL CG1 C 21.199 . 1 870 98 VAL HG1 H 0.818 . 2 871 98 VAL C C 175.872 . 1 872 99 PHE N N 123.827 . 1 873 99 PHE H H 8.227 . 1 874 99 PHE CA C 57.990 . 1 875 99 PHE CB C 39.938 . 1 876 99 PHE HB2 H 3.037 . 2 877 99 PHE C C 175.342 . 1 878 100 LYS N N 124.073 . 1 879 100 LYS H H 8.120 . 1 880 100 LYS CA C 56.328 . 1 881 100 LYS HA H 4.300 . 1 882 100 LYS CB C 33.804 . 1 883 100 LYS HB3 H 1.778 . 2 884 100 LYS HB2 H 1.710 . 2 885 100 LYS CG C 24.966 . 1 886 100 LYS HG2 H 1.365 . 2 887 100 LYS CD C 29.448 . 1 888 100 LYS HD2 H 1.654 . 2 889 100 LYS CE C 42.528 . 1 890 100 LYS HE2 H 2.968 . 2 891 100 LYS C C 175.921 . 1 892 101 SER N N 117.605 . 1 893 101 SER H H 8.312 . 1 894 101 SER CA C 58.581 . 1 895 101 SER HA H 4.420 . 1 896 101 SER CB C 64.172 . 1 897 101 SER HB2 H 3.875 . 2 898 101 SER C C 174.471 . 1 899 102 SER N N 118.600 . 1 900 102 SER H H 8.374 . 1 901 102 SER CA C 58.642 . 1 902 102 SER HA H 4.502 . 1 903 102 SER CB C 64.274 . 1 904 102 SER HB2 H 3.877 . 2 905 102 SER C C 173.460 . 1 906 103 ILE N N 126.011 . 1 907 103 ILE H H 7.724 . 1 908 103 ILE CA C 63.291 . 1 909 103 ILE CB C 40.011 . 1 stop_ save_