data_5564 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of kinase-interacting FHA domain of Arabidopsis kinase associasted protein phosphatase ; _BMRB_accession_number 5564 _BMRB_flat_file_name bmr5564.str _Entry_type original _Submission_date 2002-10-17 _Accession_date 2002-10-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Gui-in . . 2 'Van Doren' Steven R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 699 "13C chemical shifts" 544 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-26 update BMRB 'addition of relationship loop' 2003-03-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5841 'Relaxation and H-exchange data of the protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the kinase-interacting FHA domain of Arabidopsis thaliana kinase-associated protein phosphatase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Gui-in . . 2 Li Jia . . 3 Walker John C. . 4 'Van Doren' Steven R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 253 _Page_last 254 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_KAPP _Saveframe_category molecular_system _Mol_system_name 'kinase associated protein phosphatase kinase interaction domain' _Abbreviation_common KAPP _Enzyme_commission_number 3.1.3.16 loop_ _Mol_system_component_name _Mol_label 'KAPP kinase interaction domain' $KAPP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'phosphoprotein binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KAPP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'kinase associated protein phosphatase' _Abbreviation_common KAPP _Molecular_mass 14786 _Mol_thiol_state 'not present' _Details ; This molecule has five residue linker G-P-L-S-S, originated from Glutathione-S-transferase tag at N terminus. The 15 residues on the C terminus, spanning residues 299-313, are unstructured. ; ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GPLGSSWLFLEVIAGPAIGL QHAVNSTSSSKLPVKLGRVS PSDLALKDSEVSGKHAQITW NSTKFKWELVDMGSLNGTLV NSHSISHPDLGSRKWGNPVE LASDDIITLGTTTKVYVRIS SQNEFQIPFKIGVASDPMA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 180 SER 7 181 TRP 8 182 LEU 9 183 PHE 10 184 LEU 11 185 GLU 12 186 VAL 13 187 ILE 14 188 ALA 15 189 GLY 16 190 PRO 17 191 ALA 18 192 ILE 19 193 GLY 20 194 LEU 21 195 GLN 22 196 HIS 23 197 ALA 24 198 VAL 25 199 ASN 26 200 SER 27 201 THR 28 202 SER 29 203 SER 30 204 SER 31 205 LYS 32 206 LEU 33 207 PRO 34 208 VAL 35 209 LYS 36 210 LEU 37 211 GLY 38 212 ARG 39 213 VAL 40 214 SER 41 215 PRO 42 216 SER 43 217 ASP 44 218 LEU 45 219 ALA 46 220 LEU 47 221 LYS 48 222 ASP 49 223 SER 50 224 GLU 51 225 VAL 52 226 SER 53 227 GLY 54 228 LYS 55 229 HIS 56 230 ALA 57 231 GLN 58 232 ILE 59 233 THR 60 234 TRP 61 235 ASN 62 236 SER 63 237 THR 64 238 LYS 65 239 PHE 66 240 LYS 67 241 TRP 68 242 GLU 69 243 LEU 70 244 VAL 71 245 ASP 72 246 MET 73 247 GLY 74 248 SER 75 249 LEU 76 250 ASN 77 251 GLY 78 252 THR 79 253 LEU 80 254 VAL 81 255 ASN 82 256 SER 83 257 HIS 84 258 SER 85 259 ILE 86 260 SER 87 261 HIS 88 262 PRO 89 263 ASP 90 264 LEU 91 265 GLY 92 266 SER 93 267 ARG 94 268 LYS 95 269 TRP 96 270 GLY 97 271 ASN 98 272 PRO 99 273 VAL 100 274 GLU 101 275 LEU 102 276 ALA 103 277 SER 104 278 ASP 105 279 ASP 106 280 ILE 107 281 ILE 108 282 THR 109 283 LEU 110 284 GLY 111 285 THR 112 286 THR 113 287 THR 114 288 LYS 115 289 VAL 116 290 TYR 117 291 VAL 118 292 ARG 119 293 ILE 120 294 SER 121 295 SER 122 296 GLN 123 297 ASN 124 298 GLU 125 299 PHE 126 300 GLN 127 301 ILE 128 302 PRO 129 303 PHE 130 304 LYS 131 305 ILE 132 306 GLY 133 307 VAL 134 308 ALA 135 309 SER 136 310 ASP 137 311 PRO 138 312 MET 139 313 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5841 KAPP 100.00 139 100.00 100.00 5.74e-94 PDB 1MZK "Nmr Structure Of Kinase-Interacting Fha Domain Of Kinase Associated Protein Phosphatase, Kapp In Arabidopsis" 100.00 139 100.00 100.00 5.74e-94 GB AAB38148 "kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 581 100.00 100.00 1.98e-86 GB AAK76527 "putative kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 581 100.00 100.00 1.98e-86 GB AAM51227 "putative kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 581 100.00 100.00 1.98e-86 GB AED92679 "kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 581 100.00 100.00 1.98e-86 GB AED92680 "kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 591 100.00 100.00 1.68e-86 REF NP_001154720 "kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 591 100.00 100.00 1.68e-86 REF NP_197429 "kinase associated protein phosphatase [Arabidopsis thaliana]" 96.40 581 100.00 100.00 1.98e-86 SP P46014 "RecName: Full=Protein phosphatase 2C 70; Short=AtPP2C70; AltName: Full=Kinase-associated protein phosphatase [Arabidopsis thali" 96.40 581 100.00 100.00 1.98e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KAPP '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 $KAPP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_KI-FHA_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KAPP 0.6 mM '[U-100% 13C; U-100% 15N]' 'soduim phosphate' 20 mM . NaCl 120 mM . D2O 7 % . stop_ save_ save_KI-FHA_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KAPP 0.6 mM '[U-13% 13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_(HA)CA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CA(CO)NH _Sample_label . save_ save_HN(CA)HA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)HA _Sample_label . save_ save_HA(CACO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CACO)NH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HACACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_13C_HSMQC-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSMQC-NOESY' _Sample_label . save_ save_13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)HA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-con1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 295 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $KI-FHA_sample_1 $KI-FHA_sample_2 stop_ _Sample_conditions_label $Ex-con1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'KAPP kinase interaction domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO C C 176.97 0.10 1 2 2 2 PRO CA C 63.05 0.10 1 3 2 2 PRO CB C 32.32 0.10 1 4 2 2 PRO CD C 49.68 0.10 1 5 2 2 PRO CG C 27.05 0.10 1 6 2 2 PRO HA H 4.37 0.03 1 7 2 2 PRO HB2 H 2.18 0.03 2 8 2 2 PRO HB3 H 2.12 0.03 2 9 2 2 PRO HD2 H 3.41 0.03 1 10 2 2 PRO HD3 H 3.41 0.03 1 11 2 2 PRO HG2 H 1.88 0.03 2 12 2 2 PRO HG3 H 1.79 0.03 2 13 3 3 LEU C C 177.77 0.10 1 14 3 3 LEU CA C 55.50 0.10 1 15 3 3 LEU CB C 42.39 0.10 1 16 3 3 LEU CD1 C 24.82 0.10 1 17 3 3 LEU CD2 C 23.50 0.10 1 18 3 3 LEU CG C 27.11 0.10 1 19 3 3 LEU H H 8.39 0.03 1 20 3 3 LEU HA H 4.25 0.03 1 21 3 3 LEU HB2 H 1.55 0.03 2 22 3 3 LEU HB3 H 1.48 0.03 2 23 3 3 LEU HD1 H 0.84 0.03 1 24 3 3 LEU HD2 H 0.79 0.03 1 25 3 3 LEU HG H 1.56 0.03 1 26 3 3 LEU N N 123.27 0.02 1 27 4 4 GLY C C 173.42 0.10 1 28 4 4 GLY CA C 45.27 0.10 1 29 4 4 GLY H H 8.36 0.03 1 30 4 4 GLY HA2 H 3.93 0.03 2 31 4 4 GLY HA3 H 4.00 0.03 2 32 4 4 GLY N N 110.25 0.02 1 33 5 5 SER C C 172.29 0.10 1 34 5 5 SER CA C 57.66 0.10 1 35 5 5 SER CB C 64.58 0.10 1 36 5 5 SER H H 8.13 0.03 1 37 5 5 SER HA H 4.12 0.03 1 38 5 5 SER HB2 H 3.71 0.03 2 39 5 5 SER HB3 H 3.57 0.03 2 40 5 5 SER N N 115.31 0.02 1 41 180 6 SER C C 173.21 0.10 1 42 180 6 SER CA C 56.58 0.10 1 43 180 6 SER CB C 65.48 0.10 1 44 180 6 SER H H 7.89 0.03 1 45 180 6 SER HA H 4.91 0.03 1 46 180 6 SER HB2 H 3.35 0.03 2 47 180 6 SER HB3 H 2.60 0.03 2 48 180 6 SER N N 115.02 0.02 1 49 181 7 TRP C C 172.94 0.10 1 50 181 7 TRP CA C 57.20 0.10 1 51 181 7 TRP CB C 32.03 0.10 1 52 181 7 TRP CD1 C 125.66 0.10 1 53 181 7 TRP NE1 N 129.81 0.02 1 54 181 7 TRP CE3 C 119.70 0.10 4 55 181 7 TRP CZ2 C 113.85 0.10 1 56 181 7 TRP CH2 C 121.22 0.10 4 57 181 7 TRP CZ3 C 124.46 0.10 4 58 181 7 TRP H H 9.12 0.03 1 59 181 7 TRP HA H 4.72 0.03 1 60 181 7 TRP HB2 H 2.94 0.03 2 61 181 7 TRP HB3 H 2.46 0.03 2 62 181 7 TRP HD1 H 6.97 0.03 1 63 181 7 TRP HE1 H 10.21 0.03 1 64 181 7 TRP HE3 H 6.88 0.03 2 65 181 7 TRP HZ2 H 7.39 0.03 1 66 181 7 TRP HH2 H 6.64 0.03 4 67 181 7 TRP HZ3 H 7.06 0.03 4 68 181 7 TRP N N 128.14 0.02 1 69 182 8 LEU C C 173.83 0.10 1 70 182 8 LEU CA C 53.30 0.10 1 71 182 8 LEU CB C 42.26 0.10 1 72 182 8 LEU CD1 C 23.93 0.10 1 73 182 8 LEU CD2 C 26.64 0.10 1 74 182 8 LEU CG C 26.72 0.10 1 75 182 8 LEU H H 8.47 0.03 1 76 182 8 LEU HA H 4.28 0.03 1 77 182 8 LEU HB2 H -1.03 0.03 2 78 182 8 LEU HB3 H 0.58 0.03 2 79 182 8 LEU HD1 H 0.13 0.03 1 80 182 8 LEU HD2 H 0.02 0.03 1 81 182 8 LEU HG H 0.69 0.03 1 82 182 8 LEU N N 124.07 0.02 1 83 183 9 PHE C C 174.90 0.10 1 84 183 9 PHE CA C 56.16 0.10 1 85 183 9 PHE CB C 40.78 0.10 1 86 183 9 PHE CD1 C 131.32 0.10 1 87 183 9 PHE CE1 C 130.77 0.10 1 88 183 9 PHE CZ C 128.44 0.10 1 89 183 9 PHE H H 9.18 0.03 1 90 183 9 PHE HA H 5.13 0.03 1 91 183 9 PHE HB2 H 2.87 0.03 2 92 183 9 PHE HB3 H 3.08 0.03 2 93 183 9 PHE HD1 H 7.04 0.03 1 94 183 9 PHE HD2 H 7.04 0.03 1 95 183 9 PHE HE1 H 6.97 0.03 1 96 183 9 PHE HE2 H 6.97 0.03 1 97 183 9 PHE HZ H 6.68 0.03 1 98 183 9 PHE N N 125.12 0.02 1 99 184 10 LEU C C 176.33 0.10 1 100 184 10 LEU CA C 52.54 0.10 1 101 184 10 LEU CB C 45.46 0.10 1 102 184 10 LEU CD1 C 26.80 0.10 1 103 184 10 LEU CD2 C 23.83 0.10 1 104 184 10 LEU CG C 26.71 0.10 1 105 184 10 LEU H H 8.94 0.03 1 106 184 10 LEU HA H 5.31 0.03 1 107 184 10 LEU HB2 H 1.66 0.03 2 108 184 10 LEU HB3 H 1.23 0.03 5 109 184 10 LEU HD1 H 0.63 0.03 1 110 184 10 LEU HD2 H 0.62 0.03 1 111 184 10 LEU HG H 1.42 0.03 1 112 184 10 LEU N N 122.65 0.02 1 113 185 11 GLU C C 175.43 0.10 1 114 185 11 GLU CA C 54.47 0.10 1 115 185 11 GLU CB C 33.70 0.10 1 116 185 11 GLU CG C 35.92 0.10 1 117 185 11 GLU H H 8.39 0.03 1 118 185 11 GLU HA H 5.20 0.03 1 119 185 11 GLU HB2 H 1.97 0.03 2 120 185 11 GLU HB3 H 2.14 0.03 2 121 185 11 GLU HG2 H 2.24 0.03 2 122 185 11 GLU HG3 H 1.66 0.03 2 123 185 11 GLU N N 121.79 0.02 1 124 186 12 VAL C C 177.39 0.10 1 125 186 12 VAL CA C 63.61 0.10 1 126 186 12 VAL CB C 30.46 0.10 1 127 186 12 VAL CG1 C 22.23 0.10 1 128 186 12 VAL CG2 C 22.88 0.10 1 129 186 12 VAL H H 9.26 0.03 1 130 186 12 VAL HA H 4.39 0.03 1 131 186 12 VAL HB H 2.23 0.03 1 132 186 12 VAL HG1 H 0.86 0.03 1 133 186 12 VAL HG2 H 0.78 0.03 1 134 186 12 VAL N N 128.76 0.02 1 135 187 13 ILE C C 174.69 0.10 1 136 187 13 ILE CA C 61.88 0.10 1 137 187 13 ILE CB C 39.67 0.10 1 138 187 13 ILE CD1 C 14.52 0.10 1 139 187 13 ILE CG1 C 26.47 0.10 1 140 187 13 ILE CG2 C 18.30 0.10 1 141 187 13 ILE H H 8.80 0.03 1 142 187 13 ILE HA H 4.61 0.03 1 143 187 13 ILE HB H 2.16 0.03 1 144 187 13 ILE HD1 H 0.89 0.03 1 145 187 13 ILE HG12 H 1.20 0.03 2 146 187 13 ILE HG13 H 0.86 0.03 2 147 187 13 ILE HG2 H 0.89 0.03 1 148 187 13 ILE N N 124.00 0.02 1 149 188 14 ALA C C 175.21 0.10 1 150 188 14 ALA CA C 52.86 0.10 1 151 188 14 ALA CB C 22.42 0.10 1 152 188 14 ALA H H 7.88 0.03 1 153 188 14 ALA HA H 4.53 0.03 1 154 188 14 ALA HB H 1.43 0.03 1 155 188 14 ALA N N 123.83 0.02 1 156 189 15 GLY CA C 43.78 0.10 1 157 189 15 GLY H H 8.51 0.03 1 158 189 15 GLY HA2 H 3.62 0.03 1 159 189 15 GLY HA3 H 3.62 0.03 1 160 189 15 GLY N N 107.93 0.02 1 161 190 16 PRO C C 177.64 0.10 1 162 190 16 PRO CA C 64.77 0.10 1 163 190 16 PRO CB C 32.05 0.10 1 164 190 16 PRO CD C 49.24 0.10 1 165 190 16 PRO CG C 27.47 0.10 1 166 190 16 PRO HA H 4.33 0.03 1 167 190 16 PRO HB2 H 2.40 0.03 1 168 190 16 PRO HB3 H 2.40 0.03 1 169 190 16 PRO HD2 H 3.61 0.03 1 170 190 16 PRO HD3 H 3.50 0.03 1 171 190 16 PRO HG2 H 2.03 0.03 1 172 190 16 PRO HG3 H 2.03 0.03 1 173 191 17 ALA C C 174.83 0.10 1 174 191 17 ALA CA C 50.71 0.10 1 175 191 17 ALA CB C 17.96 0.10 1 176 191 17 ALA H H 8.90 0.03 1 177 191 17 ALA HA H 4.62 0.03 1 178 191 17 ALA HB H 1.38 0.03 1 179 191 17 ALA N N 121.35 0.02 1 180 192 18 ILE C C 174.82 0.10 1 181 192 18 ILE CA C 63.50 0.10 1 182 192 18 ILE CB C 38.44 0.10 1 183 192 18 ILE CD1 C 14.62 0.10 1 184 192 18 ILE CG1 C 28.64 0.10 1 185 192 18 ILE CG2 C 15.36 0.10 1 186 192 18 ILE H H 7.20 0.03 1 187 192 18 ILE HA H 3.32 0.03 1 188 192 18 ILE HB H 1.92 0.03 1 189 192 18 ILE HD1 H 0.85 0.03 1 190 192 18 ILE HG12 H 1.25 0.03 2 191 192 18 ILE HG13 H 0.99 0.03 2 192 192 18 ILE HG2 H 0.85 0.03 1 193 192 18 ILE N N 119.08 0.02 1 194 193 19 GLY C C 174.70 0.10 1 195 193 19 GLY CA C 44.23 0.10 1 196 193 19 GLY H H 8.38 0.03 1 197 193 19 GLY HA2 H 4.43 0.03 2 198 193 19 GLY HA3 H 3.63 0.03 2 199 193 19 GLY N N 115.83 0.02 1 200 194 20 LEU C C 175.63 0.10 1 201 194 20 LEU CA C 56.53 0.10 1 202 194 20 LEU CB C 42.61 0.10 1 203 194 20 LEU CD1 C 24.10 0.10 1 204 194 20 LEU CD2 C 25.32 0.10 1 205 194 20 LEU CG C 26.86 0.10 1 206 194 20 LEU H H 7.96 0.03 1 207 194 20 LEU HA H 4.26 0.03 1 208 194 20 LEU HB2 H 1.72 0.03 2 209 194 20 LEU HB3 H 1.62 0.03 2 210 194 20 LEU HD1 H 1.00 0.03 1 211 194 20 LEU HD2 H 0.83 0.03 1 212 194 20 LEU HG H 1.62 0.03 1 213 194 20 LEU N N 123.75 0.02 1 214 195 21 GLN C C 175.26 0.10 1 215 195 21 GLN CA C 54.11 0.10 1 216 195 21 GLN CB C 33.57 0.10 1 217 195 21 GLN CG C 33.90 0.10 1 218 195 21 GLN H H 8.34 0.03 1 219 195 21 GLN HA H 5.43 0.03 1 220 195 21 GLN HB2 H 2.11 0.03 2 221 195 21 GLN HB3 H 1.92 0.03 2 222 195 21 GLN HG2 H 2.48 0.03 2 223 195 21 GLN HG3 H 2.19 0.03 2 224 195 21 GLN N N 122.34 0.02 1 225 196 22 HIS C C 172.06 0.10 1 226 196 22 HIS CA C 56.46 0.10 1 227 196 22 HIS CB C 36.65 0.10 1 228 196 22 HIS CD2 C 115.60 0.10 1 229 196 22 HIS H H 8.79 0.03 1 230 196 22 HIS HA H 4.82 0.03 1 231 196 22 HIS HB2 H 2.82 0.03 2 232 196 22 HIS HB3 H 2.49 0.03 2 233 196 22 HIS HD2 H 6.22 0.03 1 234 196 22 HIS N N 120.77 0.02 1 235 197 23 ALA C C 175.93 0.10 1 236 197 23 ALA CA C 50.70 0.10 1 237 197 23 ALA CB C 23.01 0.10 1 238 197 23 ALA H H 7.48 0.03 1 239 197 23 ALA HA H 5.49 0.03 1 240 197 23 ALA HB H 1.25 0.03 1 241 197 23 ALA N N 129.42 0.02 1 242 198 24 VAL C C 170.30 0.10 1 243 198 24 VAL CA C 60.57 0.10 1 244 198 24 VAL CB C 35.61 0.10 1 245 198 24 VAL CG1 C 20.33 0.10 1 246 198 24 VAL CG2 C 21.58 0.10 1 247 198 24 VAL H H 8.74 0.03 1 248 198 24 VAL HA H 4.29 0.03 1 249 198 24 VAL HB H 1.78 0.03 1 250 198 24 VAL HG1 H 0.63 0.03 1 251 198 24 VAL HG2 H 0.86 0.03 1 252 198 24 VAL N N 119.15 0.02 1 253 199 25 ASN C C 175.89 0.10 1 254 199 25 ASN CA C 51.50 0.10 1 255 199 25 ASN CB C 41.52 0.10 1 256 199 25 ASN H H 7.66 0.03 1 257 199 25 ASN HA H 4.75 0.03 1 258 199 25 ASN HB2 H 1.46 0.03 2 259 199 25 ASN HB3 H 0.47 0.03 2 260 199 25 ASN N N 124.39 0.02 1 261 200 26 SER C C 174.13 0.10 1 262 200 26 SER CA C 61.32 0.10 1 263 200 26 SER CB C 60.04 0.10 1 264 200 26 SER H H 8.70 0.03 1 265 200 26 SER HA H 3.06 0.03 1 266 200 26 SER HB2 H 1.61 0.03 2 267 200 26 SER HB3 H 1.08 0.03 2 268 200 26 SER N N 119.20 0.02 1 269 201 27 THR C C 176.71 0.10 1 270 201 27 THR CA C 62.30 0.10 1 271 201 27 THR CB C 69.25 0.10 1 272 201 27 THR CG2 C 21.63 0.10 1 273 201 27 THR H H 7.77 0.03 1 274 201 27 THR HA H 4.13 0.03 1 275 201 27 THR HB H 4.26 0.03 1 276 201 27 THR HG2 H 1.02 0.03 1 277 201 27 THR N N 110.74 0.02 1 278 202 28 SER C C 175.61 0.10 1 279 202 28 SER CA C 56.40 0.10 1 280 202 28 SER CB C 61.53 0.10 1 281 202 28 SER H H 7.94 0.03 1 282 202 28 SER HA H 4.61 0.03 1 283 202 28 SER HB2 H 3.99 0.03 2 284 202 28 SER HB3 H 3.81 0.03 2 285 202 28 SER N N 121.72 0.02 1 286 203 29 SER CA C 61.53 0.10 1 287 203 29 SER CB C 63.05 0.10 1 288 203 29 SER H H 8.00 0.03 1 289 203 29 SER HA H 4.01 0.03 1 290 203 29 SER HB2 H 3.94 0.03 2 291 203 29 SER HB3 H 3.88 0.03 2 292 203 29 SER N N 119.33 0.02 1 293 204 30 SER C C 175.05 0.10 1 294 204 30 SER CA C 60.14 0.10 1 295 204 30 SER CB C 63.03 0.10 1 296 204 30 SER HA H 4.46 0.03 1 297 204 30 SER HB2 H 4.03 0.03 2 298 204 30 SER HB3 H 3.90 0.03 2 299 205 31 LYS C C 173.58 0.10 1 300 205 31 LYS CA C 55.02 0.10 1 301 205 31 LYS CB C 32.50 0.10 1 302 205 31 LYS CD C 28.76 0.10 1 303 205 31 LYS CE C 42.39 0.10 1 304 205 31 LYS CG C 24.95 0.10 1 305 205 31 LYS H H 7.84 0.03 1 306 205 31 LYS HA H 4.54 0.03 1 307 205 31 LYS HB2 H 2.25 0.03 2 308 205 31 LYS HD2 H 1.74 0.03 2 309 205 31 LYS HD3 H 1.68 0.03 2 310 205 31 LYS HE2 H 3.04 0.03 2 311 205 31 LYS HE3 H 2.98 0.03 2 312 205 31 LYS HG2 H 1.45 0.03 2 313 205 31 LYS HG3 H 1.33 0.03 2 314 205 31 LYS N N 121.76 0.02 1 315 206 32 LEU CA C 51.75 0.10 1 316 206 32 LEU CB C 43.80 0.10 1 317 206 32 LEU CD1 C 25.94 0.10 1 318 206 32 LEU CD2 C 25.09 0.10 1 319 206 32 LEU CG C 25.01 0.10 1 320 206 32 LEU H H 7.11 0.03 1 321 206 32 LEU HA H 4.62 0.03 1 322 206 32 LEU HB2 H 1.66 0.03 2 323 206 32 LEU HB3 H 1.51 0.03 2 324 206 32 LEU HD1 H 0.86 0.03 1 325 206 32 LEU HD2 H 1.12 0.03 1 326 206 32 LEU HG H 1.04 0.03 1 327 206 32 LEU N N 118.99 0.02 1 328 207 33 PRO C C 175.82 0.10 1 329 207 33 PRO CA C 62.18 0.10 1 330 207 33 PRO CB C 35.89 0.10 1 331 207 33 PRO CD C 50.82 0.10 1 332 207 33 PRO CG C 25.03 0.10 1 333 207 33 PRO HA H 4.63 0.03 1 334 207 33 PRO HB2 H 2.24 0.03 2 335 207 33 PRO HB3 H 1.65 0.03 2 336 207 33 PRO HD2 H 3.58 0.03 1 337 207 33 PRO HD3 H 3.52 0.03 1 338 207 33 PRO HG2 H 1.80 0.03 2 339 207 33 PRO HG3 H 1.67 0.03 2 340 208 34 VAL C C 176.03 0.10 1 341 208 34 VAL CA C 62.73 0.10 1 342 208 34 VAL CB C 32.69 0.10 1 343 208 34 VAL CG1 C 21.55 0.10 1 344 208 34 VAL CG2 C 22.10 0.10 1 345 208 34 VAL H H 9.26 0.03 1 346 208 34 VAL HA H 4.04 0.03 1 347 208 34 VAL HB H 1.95 0.03 1 348 208 34 VAL HG1 H 0.56 0.03 1 349 208 34 VAL HG2 H 0.98 0.03 1 350 208 34 VAL N N 121.72 0.02 1 351 209 35 LYS C C 175.67 0.10 1 352 209 35 LYS CA C 56.83 0.10 1 353 209 35 LYS CB C 31.95 0.10 1 354 209 35 LYS CD C 28.40 0.10 1 355 209 35 LYS CE C 40.63 0.10 1 356 209 35 LYS CG C 23.34 0.10 1 357 209 35 LYS H H 9.76 0.03 1 358 209 35 LYS HA H 4.52 0.03 1 359 209 35 LYS HB2 H 1.63 0.03 2 360 209 35 LYS HB3 H 1.76 0.03 2 361 209 35 LYS HD2 H 1.58 0.03 2 362 209 35 LYS HD3 H 1.74 0.03 2 363 209 35 LYS HE2 H 2.93 0.03 2 364 209 35 LYS HG2 H 1.51 0.03 2 365 209 35 LYS HG3 H 1.45 0.03 2 366 209 35 LYS N N 129.80 0.02 1 367 210 36 LEU C C 175.23 0.10 1 368 210 36 LEU CA C 54.31 0.10 1 369 210 36 LEU CB C 42.49 0.10 1 370 210 36 LEU CD1 C 25.07 0.10 1 371 210 36 LEU CD2 C 26.10 0.10 1 372 210 36 LEU CG C 28.41 0.10 1 373 210 36 LEU H H 8.79 0.03 1 374 210 36 LEU HA H 4.83 0.03 1 375 210 36 LEU HB2 H 1.64 0.03 2 376 210 36 LEU HB3 H 1.14 0.03 2 377 210 36 LEU HD1 H 0.60 0.03 1 378 210 36 LEU HD2 H 0.61 0.03 1 379 210 36 LEU HG H 1.49 0.03 1 380 210 36 LEU N N 124.02 0.02 1 381 211 37 GLY C C 172.41 0.10 1 382 211 37 GLY CA C 46.09 0.10 1 383 211 37 GLY H H 8.00 0.03 1 384 211 37 GLY HA2 H 4.39 0.03 2 385 211 37 GLY HA3 H 4.11 0.03 2 386 211 37 GLY N N 110.72 0.02 1 387 212 38 ARG C C 176.30 0.10 1 388 212 38 ARG CA C 60.88 0.10 1 389 212 38 ARG CB C 32.43 0.10 1 390 212 38 ARG CD C 43.35 0.10 1 391 212 38 ARG CG C 28.32 0.10 1 392 212 38 ARG H H 7.71 0.03 1 393 212 38 ARG HA H 3.62 0.03 1 394 212 38 ARG HB2 H 1.72 0.03 2 395 212 38 ARG HB3 H 1.50 0.03 2 396 212 38 ARG HD2 H 3.29 0.03 2 397 212 38 ARG HD3 H 3.01 0.03 2 398 212 38 ARG HG2 H 1.43 0.03 1 399 212 38 ARG HG3 H 1.43 0.03 1 400 212 38 ARG N N 122.09 0.02 1 401 213 39 VAL CA C 58.86 0.10 1 402 213 39 VAL CB C 36.79 0.10 1 403 213 39 VAL CG1 C 22.20 0.10 1 404 213 39 VAL CG2 C 18.22 0.10 1 405 213 39 VAL H H 7.86 0.03 1 406 213 39 VAL HA H 4.76 0.03 1 407 213 39 VAL HB H 2.27 0.03 1 408 213 39 VAL HG1 H 0.83 0.03 1 409 213 39 VAL HG2 H 0.77 0.03 1 410 213 39 VAL N N 106.48 0.02 1 411 215 41 PRO C C 175.91 0.10 1 412 215 41 PRO CA C 63.53 0.10 1 413 215 41 PRO CB C 32.59 0.10 1 414 215 41 PRO CD C 50.31 0.10 1 415 215 41 PRO CG C 24.59 0.10 1 416 215 41 PRO HA H 4.76 0.03 1 417 215 41 PRO HB2 H 2.35 0.03 2 418 215 41 PRO HB3 H 2.27 0.03 2 419 215 41 PRO HD2 H 3.47 0.03 1 420 215 41 PRO HD3 H 3.40 0.03 1 421 215 41 PRO HG2 H 1.90 0.03 2 422 215 41 PRO HG3 H 1.58 0.03 2 423 216 42 SER C C 172.89 0.10 1 424 216 42 SER CA C 61.90 0.10 1 425 216 42 SER CB C 63.94 0.10 1 426 216 42 SER H H 8.71 0.03 1 427 216 42 SER HA H 3.90 0.03 1 428 216 42 SER HB2 H 3.51 0.03 2 429 216 42 SER HB3 H 3.12 0.03 2 430 216 42 SER N N 121.50 0.02 1 431 217 43 ASP C C 175.72 0.10 1 432 217 43 ASP CA C 57.42 0.10 1 433 217 43 ASP CB C 42.10 0.10 1 434 217 43 ASP H H 8.32 0.03 1 435 217 43 ASP HA H 4.18 0.03 1 436 217 43 ASP HB2 H 1.91 0.03 2 437 217 43 ASP HB3 H 2.21 0.03 2 438 217 43 ASP N N 125.35 0.02 1 439 218 44 LEU C C 172.90 0.10 1 440 218 44 LEU CA C 54.71 0.10 1 441 218 44 LEU CB C 43.49 0.10 1 442 218 44 LEU CD1 C 25.03 0.10 1 443 218 44 LEU CD2 C 25.98 0.10 1 444 218 44 LEU CG C 27.77 0.10 1 445 218 44 LEU H H 6.99 0.03 1 446 218 44 LEU HA H 4.25 0.03 1 447 218 44 LEU HB2 H 1.20 0.03 2 448 218 44 LEU HB3 H 1.00 0.03 2 449 218 44 LEU HD1 H 0.41 0.03 1 450 218 44 LEU HD2 H 0.53 0.03 1 451 218 44 LEU HG H 1.15 0.03 1 452 218 44 LEU N N 115.78 0.02 1 453 219 45 ALA C C 176.66 0.10 1 454 219 45 ALA CA C 50.42 0.10 1 455 219 45 ALA CB C 16.81 0.10 1 456 219 45 ALA H H 8.06 0.03 1 457 219 45 ALA HA H 4.24 0.03 1 458 219 45 ALA HB H 1.05 0.03 1 459 219 45 ALA N N 127.84 0.02 1 460 220 46 LEU C C 178.58 0.10 1 461 220 46 LEU CA C 55.71 0.10 1 462 220 46 LEU CB C 42.10 0.10 1 463 220 46 LEU CD1 C 26.81 0.10 1 464 220 46 LEU CD2 C 23.90 0.10 1 465 220 46 LEU CG C 26.67 0.10 1 466 220 46 LEU H H 8.44 0.03 1 467 220 46 LEU HA H 4.00 0.03 1 468 220 46 LEU HB2 H 1.54 0.03 1 469 220 46 LEU HB3 H 1.54 0.03 1 470 220 46 LEU HD1 H 0.69 0.03 1 471 220 46 LEU HD2 H 0.62 0.03 1 472 220 46 LEU HG H 1.81 0.03 1 473 220 46 LEU N N 121.26 0.02 1 474 221 47 LYS C C 175.11 0.10 1 475 221 47 LYS CA C 60.52 0.10 1 476 221 47 LYS CB C 30.84 0.10 1 477 221 47 LYS CD C 29.37 0.10 1 478 221 47 LYS CE C 42.03 0.10 1 479 221 47 LYS CG C 25.01 0.10 1 480 221 47 LYS H H 9.19 0.03 1 481 221 47 LYS HA H 3.69 0.03 1 482 221 47 LYS HB2 H 1.96 0.03 2 483 221 47 LYS HB3 H 1.83 0.03 2 484 221 47 LYS HD2 H 1.59 0.03 2 485 221 47 LYS HD3 H 1.53 0.03 2 486 221 47 LYS HE2 H 2.90 0.03 2 487 221 47 LYS HG2 H 1.31 0.03 1 488 221 47 LYS HG3 H 1.31 0.03 1 489 221 47 LYS N N 116.92 0.02 1 490 222 48 ASP C C 176.64 0.10 1 491 222 48 ASP CA C 52.91 0.10 1 492 222 48 ASP CB C 43.57 0.10 1 493 222 48 ASP H H 7.76 0.03 1 494 222 48 ASP HA H 4.44 0.03 1 495 222 48 ASP HB2 H 2.49 0.03 2 496 222 48 ASP HB3 H 2.27 0.03 2 497 222 48 ASP N N 121.36 0.02 1 498 223 49 SER C C 175.34 0.10 1 499 223 49 SER CA C 61.61 0.10 1 500 223 49 SER CB C 62.67 0.10 1 501 223 49 SER H H 8.76 0.03 1 502 223 49 SER HA H 3.95 0.03 1 503 223 49 SER HB2 H 3.89 0.03 1 504 223 49 SER HB3 H 3.89 0.03 1 505 223 49 SER N N 123.50 0.02 1 506 224 50 GLU C C 177.54 0.10 1 507 224 50 GLU CA C 57.24 0.10 1 508 224 50 GLU CB C 30.56 0.10 1 509 224 50 GLU CG C 37.19 0.10 1 510 224 50 GLU H H 8.72 0.03 1 511 224 50 GLU HA H 4.07 0.03 1 512 224 50 GLU HB2 H 2.22 0.03 1 513 224 50 GLU HB3 H 2.22 0.03 1 514 224 50 GLU HG2 H 2.34 0.03 2 515 224 50 GLU HG3 H 2.13 0.03 2 516 224 50 GLU N N 119.40 0.02 1 517 225 51 VAL CA C 61.30 0.10 1 518 225 51 VAL CB C 32.27 0.10 1 519 225 51 VAL CG1 C 20.47 0.10 1 520 225 51 VAL CG2 C 23.14 0.10 1 521 225 51 VAL H H 7.97 0.03 1 522 225 51 VAL HA H 4.18 0.03 1 523 225 51 VAL HB H 2.12 0.03 1 524 225 51 VAL HG1 H 0.87 0.03 1 525 225 51 VAL HG2 H 0.59 0.03 1 526 225 51 VAL N N 123.13 0.02 1 527 226 52 SER C C 174.42 0.10 1 528 226 52 SER CA C 61.03 0.10 1 529 226 52 SER CB C 64.78 0.10 1 530 226 52 SER HA H 4.58 0.03 1 531 226 52 SER HB2 H 4.09 0.03 9 532 227 53 GLY C C 175.05 0.10 1 533 227 53 GLY CA C 48.32 0.10 1 534 227 53 GLY H H 9.91 0.03 1 535 227 53 GLY HA2 H 3.99 0.03 2 536 227 53 GLY HA3 H 3.54 0.03 2 537 227 53 GLY N N 115.09 0.20 1 538 228 54 LYS C C 173.44 0.10 1 539 228 54 LYS CA C 56.07 0.10 1 540 228 54 LYS CB C 32.33 0.10 1 541 228 54 LYS CD C 29.62 0.10 1 542 228 54 LYS CE C 42.17 0.10 1 543 228 54 LYS CG C 24.31 0.10 1 544 228 54 LYS H H 8.20 0.03 1 545 228 54 LYS HA H 4.32 0.03 1 546 228 54 LYS HB2 H 1.60 0.03 2 547 228 54 LYS HB3 H 1.51 0.03 2 548 228 54 LYS HD2 H 1.61 0.03 1 549 228 54 LYS HD3 H 1.61 0.03 1 550 228 54 LYS HE2 H 2.92 0.03 2 551 228 54 LYS HG2 H 1.28 0.03 1 552 228 54 LYS HG3 H 1.28 0.03 1 553 228 54 LYS N N 121.38 0.02 1 554 229 55 HIS C C 174.25 0.10 1 555 229 55 HIS CA C 59.15 0.10 1 556 229 55 HIS CB C 34.51 0.10 1 557 229 55 HIS ND1 N 128.99 0.02 1 558 229 55 HIS CD2 C 118.00 0.10 1 559 229 55 HIS CE1 C 136.78 0.10 1 560 229 55 HIS NE2 N 111.58 0.02 1 561 229 55 HIS H H 7.78 0.03 1 562 229 55 HIS HA H 3.97 0.03 1 563 229 55 HIS HB2 H 3.03 0.03 2 564 229 55 HIS HB3 H 2.82 0.03 2 565 229 55 HIS HD1 H 11.63 0.03 1 566 229 55 HIS HD2 H 6.59 0.03 1 567 229 55 HIS HE1 H 7.59 0.03 1 568 229 55 HIS HE2 H 10.67 0.03 1 569 229 55 HIS N N 123.73 0.02 1 570 230 56 ALA C C 174.74 0.10 1 571 230 56 ALA CA C 50.79 0.10 1 572 230 56 ALA CB C 23.08 0.10 1 573 230 56 ALA H H 8.24 0.03 1 574 230 56 ALA HA H 4.98 0.03 1 575 230 56 ALA HB H 1.25 0.03 1 576 230 56 ALA N N 116.62 0.02 1 577 231 57 GLN C C 174.45 0.10 1 578 231 57 GLN CA C 54.15 0.10 1 579 231 57 GLN CB C 32.22 0.10 1 580 231 57 GLN CG C 32.43 0.10 1 581 231 57 GLN H H 8.51 0.03 1 582 231 57 GLN HA H 5.64 0.03 1 583 231 57 GLN HB2 H 1.76 0.03 1 584 231 57 GLN HB3 H 1.76 0.03 1 585 231 57 GLN HG2 H 2.13 0.03 1 586 231 57 GLN HG3 H 2.13 0.03 1 587 231 57 GLN N N 115.51 0.02 1 588 232 58 ILE C C 174.97 0.10 1 589 232 58 ILE CA C 59.80 0.10 1 590 232 58 ILE CB C 41.53 0.10 1 591 232 58 ILE CD1 C 15.10 0.10 1 592 232 58 ILE CG1 C 29.34 0.10 1 593 232 58 ILE CG2 C 18.81 0.10 1 594 232 58 ILE H H 9.00 0.03 1 595 232 58 ILE HA H 5.60 0.03 1 596 232 58 ILE HB H 1.40 0.03 1 597 232 58 ILE HD1 H 0.62 0.03 1 598 232 58 ILE HG12 H 1.41 0.03 2 599 232 58 ILE HG13 H 0.80 0.03 2 600 232 58 ILE HG2 H 1.05 0.03 1 601 232 58 ILE N N 122.32 0.02 1 602 233 59 THR C C 172.52 0.10 1 603 233 59 THR CA C 59.28 0.10 1 604 233 59 THR CB C 71.16 0.10 1 605 233 59 THR CG2 C 22.30 0.10 1 606 233 59 THR H H 9.33 0.03 1 607 233 59 THR HA H 4.83 0.03 1 608 233 59 THR HB H 4.16 0.03 1 609 233 59 THR HG2 H 1.16 0.03 1 610 233 59 THR N N 118.69 0.02 1 611 234 60 TRP C C 174.15 0.10 1 612 234 60 TRP CA C 54.93 0.10 1 613 234 60 TRP CB C 30.92 0.10 1 614 234 60 TRP CD1 C 125.68 0.10 4 615 234 60 TRP NE1 N 126.47 0.02 1 616 234 60 TRP CE3 C 119.35 0.10 4 617 234 60 TRP CH2 C 122.43 0.10 4 618 234 60 TRP CZ2 C 114.52 0.10 1 619 234 60 TRP CZ3 C 120.69 0.10 4 620 234 60 TRP H H 8.24 0.03 1 621 234 60 TRP HA H 4.52 0.03 1 622 234 60 TRP HB2 H 2.50 0.03 2 623 234 60 TRP HB3 H 1.95 0.03 2 624 234 60 TRP HD1 H 6.62 0.03 4 625 234 60 TRP HE1 H 9.51 0.03 1 626 234 60 TRP HE3 H 7.38 0.03 2 627 234 60 TRP HH2 H 6.25 0.03 4 628 234 60 TRP HZ2 H 6.93 0.03 1 629 234 60 TRP HZ3 H 6.78 0.03 4 630 234 60 TRP N N 122.24 0.02 1 631 235 61 ASN C C 175.01 0.10 1 632 235 61 ASN CA C 51.41 0.10 1 633 235 61 ASN CB C 37.88 0.10 1 634 235 61 ASN H H 8.31 0.03 1 635 235 61 ASN HA H 4.44 0.03 1 636 235 61 ASN HB2 H 2.53 0.03 2 637 235 61 ASN HB3 H 2.25 0.03 2 638 235 61 ASN N N 128.11 0.02 1 639 236 62 SER C C 174.32 0.10 1 640 236 62 SER CA C 59.91 0.10 1 641 236 62 SER CB C 63.37 0.10 1 642 236 62 SER H H 8.17 0.03 1 643 236 62 SER HA H 3.42 0.03 1 644 236 62 SER HB2 H 3.95 0.03 2 645 236 62 SER HB3 H 3.74 0.03 2 646 236 62 SER N N 120.27 0.02 1 647 237 63 THR C C 175.14 0.10 1 648 237 63 THR CA C 64.69 0.10 1 649 237 63 THR CB C 68.13 0.10 1 650 237 63 THR CG2 C 21.57 0.10 1 651 237 63 THR H H 7.75 0.03 1 652 237 63 THR HA H 3.91 0.03 1 653 237 63 THR HB H 4.02 0.03 1 654 237 63 THR HG2 H 1.02 0.03 1 655 237 63 THR N N 116.60 0.02 1 656 238 64 LYS C C 175.80 0.10 1 657 238 64 LYS CA C 56.08 0.10 1 658 238 64 LYS CB C 34.17 0.10 1 659 238 64 LYS CD C 29.68 0.10 1 660 238 64 LYS CE C 41.77 0.10 1 661 238 64 LYS CG C 25.03 0.10 1 662 238 64 LYS H H 6.94 0.03 1 663 238 64 LYS HA H 3.91 0.03 1 664 238 64 LYS HB2 H 1.51 0.03 2 665 238 64 LYS HB3 H 0.89 0.03 2 666 238 64 LYS HD2 H 1.27 0.03 2 667 238 64 LYS HD3 H 1.45 0.03 2 668 238 64 LYS HE2 H 2.72 0.03 5 669 238 64 LYS HE3 H 2.63 0.03 5 670 238 64 LYS HG2 H 1.07 0.03 2 671 238 64 LYS HG3 H 0.90 0.03 2 672 238 64 LYS N N 118.01 0.02 1 673 239 65 PHE C C 174.74 0.10 1 674 239 65 PHE CA C 58.22 0.10 1 675 239 65 PHE CB C 36.01 0.10 1 676 239 65 PHE CD1 C 128.52 0.10 1 677 239 65 PHE CE1 C 131.04 0.10 1 678 239 65 PHE CZ C 131.09 0.10 1 679 239 65 PHE H H 7.44 0.03 1 680 239 65 PHE HA H 3.05 0.03 1 681 239 65 PHE HB2 H 3.05 0.03 2 682 239 65 PHE HB3 H 3.25 0.03 2 683 239 65 PHE HD1 H 7.15 0.03 1 684 239 65 PHE HD2 H 7.15 0.03 1 685 239 65 PHE HE1 H 7.27 0.03 1 686 239 65 PHE HE2 H 7.27 0.03 1 687 239 65 PHE HZ H 7.02 0.03 1 688 239 65 PHE N N 119.52 0.02 1 689 240 66 LYS C C 174.22 0.10 1 690 240 66 LYS CA C 53.21 0.10 1 691 240 66 LYS CB C 38.11 0.10 1 692 240 66 LYS CD C 29.32 0.10 1 693 240 66 LYS CE C 42.61 0.10 1 694 240 66 LYS CG C 24.19 0.10 1 695 240 66 LYS H H 6.07 0.03 1 696 240 66 LYS HA H 4.50 0.03 1 697 240 66 LYS HB2 H 0.99 0.03 2 698 240 66 LYS HB3 H 1.69 0.03 2 699 240 66 LYS HD2 H 1.48 0.03 2 700 240 66 LYS HD3 H 1.85 0.03 2 701 240 66 LYS HE2 H 2.95 0.03 1 702 240 66 LYS HE3 H 2.95 0.03 1 703 240 66 LYS HG2 H 1.17 0.03 1 704 240 66 LYS HG3 H 1.17 0.03 1 705 240 66 LYS N N 114.64 0.02 1 706 241 67 TRP C C 176.24 0.10 1 707 241 67 TRP CA C 56.16 0.10 1 708 241 67 TRP CB C 30.35 0.10 1 709 241 67 TRP NE1 N 129.87 0.02 1 710 241 67 TRP CE3 C 121.41 0.10 4 711 241 67 TRP CH2 C 124.20 0.10 4 712 241 67 TRP CZ2 C 114.50 0.10 1 713 241 67 TRP CZ3 C 120.60 0.10 4 714 241 67 TRP H H 9.56 0.03 1 715 241 67 TRP HA H 5.20 0.03 1 716 241 67 TRP HB2 H 3.07 0.03 2 717 241 67 TRP HB3 H 2.97 0.03 2 718 241 67 TRP HD1 H 6.76 0.03 2 719 241 67 TRP HE1 H 9.86 0.03 1 720 241 67 TRP HE3 H 7.11 0.03 2 721 241 67 TRP HH2 H 7.20 0.03 4 722 241 67 TRP HZ2 H 7.45 0.03 1 723 241 67 TRP HZ3 H 7.66 0.03 4 724 241 67 TRP N N 124.59 0.02 1 725 242 68 GLU C C 174.30 0.10 1 726 242 68 GLU CA C 54.52 0.10 1 727 242 68 GLU CB C 34.05 0.10 1 728 242 68 GLU CG C 37.72 0.10 1 729 242 68 GLU H H 9.36 0.03 1 730 242 68 GLU HA H 5.36 0.03 1 731 242 68 GLU HB2 H 1.55 0.03 2 732 242 68 GLU HB3 H 1.85 0.03 2 733 242 68 GLU HG2 H 1.96 0.03 2 734 242 68 GLU HG3 H 1.71 0.03 2 735 242 68 GLU N N 120.82 0.02 1 736 243 69 LEU C C 173.86 0.10 1 737 243 69 LEU CA C 52.82 0.10 1 738 243 69 LEU CB C 46.73 0.10 1 739 243 69 LEU CD1 C 24.35 0.10 1 740 243 69 LEU CD2 C 29.60 0.10 1 741 243 69 LEU CG C 27.33 0.10 1 742 243 69 LEU H H 9.12 0.03 1 743 243 69 LEU HA H 5.22 0.03 1 744 243 69 LEU HB2 H 1.61 0.03 2 745 243 69 LEU HB3 H 1.23 0.03 2 746 243 69 LEU HD1 H 0.69 0.03 1 747 243 69 LEU HD2 H 0.63 0.03 1 748 243 69 LEU HG H 1.23 0.03 1 749 243 69 LEU N N 125.78 0.02 1 750 244 70 VAL C C 173.39 0.10 1 751 244 70 VAL CA C 59.67 0.10 1 752 244 70 VAL CB C 37.41 0.10 1 753 244 70 VAL CG1 C 20.84 0.10 1 754 244 70 VAL CG2 C 22.67 0.10 1 755 244 70 VAL H H 8.65 0.03 1 756 244 70 VAL HA H 4.51 0.03 1 757 244 70 VAL HB H 1.68 0.03 1 758 244 70 VAL HG1 H 0.80 0.03 1 759 244 70 VAL HG2 H 0.85 0.03 1 760 244 70 VAL N N 123.08 0.02 1 761 245 71 ASP C C 175.52 0.10 1 762 245 71 ASP CA C 54.27 0.10 1 763 245 71 ASP CB C 43.79 0.10 1 764 245 71 ASP H H 8.83 0.03 1 765 245 71 ASP HA H 4.55 0.03 1 766 245 71 ASP HB2 H 2.64 0.03 2 767 245 71 ASP HB3 H 2.08 0.03 2 768 245 71 ASP N N 127.11 0.02 1 769 246 72 MET C C 175.10 0.10 1 770 246 72 MET CA C 54.37 0.10 1 771 246 72 MET CB C 29.98 0.10 1 772 246 72 MET CE C 16.35 0.10 1 773 246 72 MET CG C 31.61 0.10 1 774 246 72 MET H H 7.99 0.03 1 775 246 72 MET HA H 2.73 0.03 1 776 246 72 MET HB2 H 1.46 0.03 2 777 246 72 MET HB3 H 0.81 0.03 2 778 246 72 MET HE H 1.73 0.03 1 779 246 72 MET HG2 H 0.40 0.03 2 780 246 72 MET HG3 H 1.47 0.03 2 781 246 72 MET N N 128.74 0.02 1 782 247 73 GLY C C 175.87 0.10 1 783 247 73 GLY CA C 46.46 0.10 1 784 247 73 GLY H H 7.98 0.03 1 785 247 73 GLY HA2 H 3.54 0.03 2 786 247 73 GLY HA3 H 3.49 0.03 2 787 247 73 GLY N N 111.02 0.02 1 788 248 74 SER C C 174.50 0.10 1 789 248 74 SER CA C 58.61 0.10 1 790 248 74 SER CB C 60.70 0.10 1 791 248 74 SER H H 8.68 0.03 1 792 248 74 SER HA H 3.68 0.03 1 793 248 74 SER HB2 H 2.97 0.03 2 794 248 74 SER N N 119.13 0.02 1 795 249 75 LEU C C 178.42 0.10 1 796 249 75 LEU CA C 58.08 0.10 1 797 249 75 LEU CB C 42.34 0.10 1 798 249 75 LEU CD1 C 23.41 0.10 1 799 249 75 LEU CD2 C 25.17 0.10 1 800 249 75 LEU CG C 26.64 0.10 1 801 249 75 LEU H H 7.26 0.03 1 802 249 75 LEU HA H 3.99 0.03 1 803 249 75 LEU HB2 H 1.65 0.03 2 804 249 75 LEU HB3 H 1.63 0.03 2 805 249 75 LEU HD1 H 0.86 0.03 1 806 249 75 LEU HD2 H 0.84 0.03 1 807 249 75 LEU HG H 1.38 0.03 1 808 249 75 LEU N N 121.63 0.02 1 809 250 76 ASN C C 176.33 0.10 1 810 250 76 ASN CA C 53.22 0.10 1 811 250 76 ASN CB C 40.27 0.10 1 812 250 76 ASN H H 9.15 0.03 1 813 250 76 ASN HA H 4.96 0.03 1 814 250 76 ASN HB2 H 3.01 0.03 2 815 250 76 ASN HB3 H 2.65 0.03 2 816 250 76 ASN N N 111.20 0.02 1 817 251 77 GLY C C 173.53 0.10 1 818 251 77 GLY CA C 45.47 0.10 1 819 251 77 GLY H H 7.50 0.03 1 820 251 77 GLY HA2 H 4.27 0.03 2 821 251 77 GLY HA3 H 3.67 0.03 2 822 251 77 GLY N N 110.34 0.02 1 823 252 78 THR C C 172.82 0.10 1 824 252 78 THR CA C 62.55 0.10 1 825 252 78 THR CB C 70.87 0.10 1 826 252 78 THR CG2 C 23.19 0.10 1 827 252 78 THR H H 7.25 0.03 1 828 252 78 THR HA H 5.22 0.03 1 829 252 78 THR HB H 3.51 0.03 1 830 252 78 THR HG2 H 0.97 0.03 1 831 252 78 THR N N 116.00 0.02 1 832 253 79 LEU C C 177.02 0.10 1 833 253 79 LEU CA C 52.75 0.10 1 834 253 79 LEU CB C 44.57 0.10 1 835 253 79 LEU CD1 C 25.35 0.10 1 836 253 79 LEU CD2 C 23.16 0.10 1 837 253 79 LEU CG C 23.39 0.10 1 838 253 79 LEU H H 9.45 0.03 1 839 253 79 LEU HA H 5.23 0.03 1 840 253 79 LEU HB2 H 1.58 0.03 2 841 253 79 LEU HB3 H 1.02 0.03 2 842 253 79 LEU HD1 H 0.75 0.03 1 843 253 79 LEU HD2 H 0.65 0.03 1 844 253 79 LEU HG H 0.99 0.03 1 845 253 79 LEU N N 124.71 0.02 1 846 254 80 VAL C C 176.58 0.10 1 847 254 80 VAL CA C 62.55 0.10 1 848 254 80 VAL CB C 32.94 0.10 1 849 254 80 VAL CG1 C 20.91 0.10 1 850 254 80 VAL CG2 C 24.00 0.10 1 851 254 80 VAL H H 8.83 0.03 1 852 254 80 VAL HA H 4.44 0.03 1 853 254 80 VAL HB H 1.79 0.03 1 854 254 80 VAL HG1 H 0.76 0.03 1 855 254 80 VAL HG2 H 0.76 0.03 1 856 254 80 VAL N N 119.88 0.02 1 857 255 81 ASN C C 175.11 0.10 1 858 255 81 ASN CA C 55.02 0.10 1 859 255 81 ASN CB C 36.85 0.10 1 860 255 81 ASN H H 9.64 0.03 1 861 255 81 ASN HA H 4.33 0.03 1 862 255 81 ASN HB2 H 3.09 0.03 2 863 255 81 ASN HB3 H 2.87 0.03 2 864 255 81 ASN N N 128.33 0.02 1 865 256 82 SER C C 172.33 0.10 1 866 256 82 SER CA C 60.56 0.10 1 867 256 82 SER CB C 62.67 0.10 1 868 256 82 SER H H 8.18 0.03 1 869 256 82 SER HA H 3.90 0.03 1 870 256 82 SER HB2 H 4.06 0.03 1 871 256 82 SER HB3 H 4.06 0.03 1 872 256 82 SER N N 107.87 0.02 1 873 257 83 HIS C C 174.63 0.10 1 874 257 83 HIS CA C 54.33 0.10 1 875 257 83 HIS CB C 30.80 0.10 1 876 257 83 HIS CE1 C 136.23 0.10 1 877 257 83 HIS H H 7.99 0.03 1 878 257 83 HIS HA H 4.93 0.03 1 879 257 83 HIS HB2 H 3.17 0.03 1 880 257 83 HIS HB3 H 3.17 0.03 1 881 257 83 HIS HE1 H 8.40 0.03 1 882 257 83 HIS N N 120.90 0.02 1 883 258 84 SER C C 177.03 0.10 1 884 258 84 SER CA C 59.25 0.10 1 885 258 84 SER CB C 63.07 0.10 1 886 258 84 SER H H 9.06 0.03 1 887 258 84 SER HA H 4.65 0.03 1 888 258 84 SER HB2 H 3.82 0.03 2 889 258 84 SER HB3 H 3.76 0.03 2 890 258 84 SER N N 119.87 0.02 1 891 259 85 ILE C C 177.20 0.10 1 892 259 85 ILE CA C 60.53 0.10 1 893 259 85 ILE CB C 38.00 0.10 1 894 259 85 ILE CD1 C 15.20 0.10 1 895 259 85 ILE CG1 C 27.38 0.10 1 896 259 85 ILE CG2 C 18.94 0.10 1 897 259 85 ILE H H 8.58 0.03 1 898 259 85 ILE HA H 4.85 0.03 1 899 259 85 ILE HB H 2.32 0.03 1 900 259 85 ILE HD1 H 0.76 0.03 1 901 259 85 ILE HG12 H 1.04 0.03 2 902 259 85 ILE HG13 H 0.76 0.03 2 903 259 85 ILE HG2 H 0.98 0.03 1 904 259 85 ILE N N 120.23 0.02 1 905 260 86 SER C C 173.35 0.10 1 906 260 86 SER CA C 59.65 0.10 1 907 260 86 SER CB C 64.08 0.10 1 908 260 86 SER H H 8.16 0.03 1 909 260 86 SER HA H 4.23 0.03 1 910 260 86 SER HB2 H 3.97 0.03 2 911 260 86 SER HB3 H 3.63 0.03 2 912 260 86 SER N N 122.41 0.02 1 913 261 87 HIS CA C 56.83 0.10 1 914 261 87 HIS CB C 31.12 0.10 1 915 261 87 HIS CE1 C 137.76 0.10 1 916 261 87 HIS H H 9.49 0.03 1 917 261 87 HIS HA H 4.42 0.03 1 918 261 87 HIS HB2 H 2.76 0.03 2 919 261 87 HIS HB3 H 2.70 0.03 2 920 261 87 HIS HE1 H 7.76 0.03 1 921 261 87 HIS N N 127.02 0.02 1 922 262 88 PRO C C 177.49 0.10 1 923 262 88 PRO CA C 64.45 0.10 1 924 262 88 PRO CB C 32.21 0.10 1 925 262 88 PRO CD C 50.53 0.10 1 926 262 88 PRO CG C 27.15 0.10 1 927 262 88 PRO HA H 4.22 0.03 1 928 262 88 PRO HB2 H 2.14 0.03 2 929 262 88 PRO HB3 H 1.83 0.03 2 930 262 88 PRO HD2 H 3.30 0.03 1 931 262 88 PRO HD3 H 2.14 0.03 1 932 262 88 PRO HG2 H 1.72 0.03 2 933 262 88 PRO HG3 H 1.58 0.03 2 934 263 89 ASP C C 176.37 0.10 1 935 263 89 ASP CA C 53.15 0.10 1 936 263 89 ASP CB C 38.82 0.10 1 937 263 89 ASP H H 10.35 0.03 1 938 263 89 ASP HA H 4.82 0.03 1 939 263 89 ASP HB2 H 2.80 0.03 1 940 263 89 ASP HB3 H 2.80 0.03 1 941 263 89 ASP N N 124.56 0.02 1 942 264 90 LEU C C 178.90 0.10 1 943 264 90 LEU CA C 57.10 0.10 1 944 264 90 LEU CB C 41.59 0.10 1 945 264 90 LEU CD1 C 24.50 0.10 1 946 264 90 LEU CD2 C 23.71 0.10 1 947 264 90 LEU CG C 26.93 0.10 1 948 264 90 LEU H H 8.00 0.03 1 949 264 90 LEU HA H 4.24 0.03 1 950 264 90 LEU HB2 H 1.63 0.03 2 951 264 90 LEU HB3 H 1.58 0.03 2 952 264 90 LEU HD1 H 0.89 0.03 1 953 264 90 LEU HD2 H 0.85 0.03 1 954 264 90 LEU HG H 1.58 0.03 1 955 264 90 LEU N N 128.28 0.02 1 956 265 91 GLY C C 174.89 0.10 1 957 265 91 GLY CA C 45.62 0.10 1 958 265 91 GLY H H 8.92 0.03 1 959 265 91 GLY HA2 H 4.22 0.03 2 960 265 91 GLY HA3 H 3.67 0.03 2 961 265 91 GLY N N 113.09 0.02 1 962 266 92 SER C C 175.09 0.10 1 963 266 92 SER CA C 60.01 0.10 1 964 266 92 SER CB C 64.30 0.10 1 965 266 92 SER H H 7.98 0.03 1 966 266 92 SER HA H 4.11 0.03 1 967 266 92 SER HB2 H 3.83 0.03 2 968 266 92 SER HB3 H 3.72 0.03 2 969 266 92 SER N N 115.98 0.02 1 970 267 93 ARG C C 175.67 0.10 1 971 267 93 ARG CA C 56.45 0.10 1 972 267 93 ARG CB C 26.23 0.10 1 973 267 93 ARG CD C 42.10 0.10 1 974 267 93 ARG CG C 26.34 0.10 1 975 267 93 ARG H H 8.51 0.03 1 976 267 93 ARG HA H 3.94 0.03 1 977 267 93 ARG HB2 H 2.09 0.03 2 978 267 93 ARG HB3 H 2.05 0.03 2 979 267 93 ARG HD2 H 3.16 0.03 2 980 267 93 ARG HD3 H 2.99 0.03 2 981 267 93 ARG HG2 H 1.62 0.03 2 982 267 93 ARG HG3 H 1.32 0.03 2 983 267 93 ARG N N 116.69 0.02 1 984 268 94 LYS C C 176.70 0.10 1 985 268 94 LYS CA C 56.39 0.10 1 986 268 94 LYS CB C 34.26 0.10 1 987 268 94 LYS CD C 29.28 0.10 1 988 268 94 LYS CE C 42.71 0.10 1 989 268 94 LYS CG C 25.61 0.10 1 990 268 94 LYS H H 7.68 0.03 1 991 268 94 LYS HA H 4.23 0.03 1 992 268 94 LYS HB2 H 0.83 0.03 2 993 268 94 LYS HB3 H 1.35 0.03 2 994 268 94 LYS HD2 H 1.16 0.03 2 995 268 94 LYS HD3 H 1.04 0.03 2 996 268 94 LYS HE2 H 2.74 0.03 2 997 268 94 LYS HE3 H 2.71 0.03 2 998 268 94 LYS HG2 H 1.10 0.03 1 999 268 94 LYS HG3 H 1.10 0.03 1 1000 268 94 LYS N N 120.75 0.02 1 1001 269 95 TRP C C 178.37 0.10 1 1002 269 95 TRP CA C 57.71 0.10 1 1003 269 95 TRP CB C 29.05 0.10 1 1004 269 95 TRP NE1 N 129.59 0.02 1 1005 269 95 TRP CE3 C 120.70 0.10 4 1006 269 95 TRP CZ2 C 114.04 0.10 1 1007 269 95 TRP CH2 C 124.46 0.10 4 1008 269 95 TRP CZ3 C 121.01 0.10 4 1009 269 95 TRP H H 8.97 0.03 1 1010 269 95 TRP HA H 4.73 0.03 1 1011 269 95 TRP HB2 H 3.04 0.03 2 1012 269 95 TRP HB3 H 3.53 0.03 2 1013 269 95 TRP HE1 H 9.86 0.03 1 1014 269 95 TRP HE3 H 7.54 0.03 2 1015 269 95 TRP HZ2 H 7.37 0.03 1 1016 269 95 TRP HH2 H 7.08 0.03 4 1017 269 95 TRP HZ3 H 7.00 0.03 4 1018 269 95 TRP N N 123.74 0.02 1 1019 270 96 GLY C C 171.89 0.10 1 1020 270 96 GLY CA C 44.16 0.10 1 1021 270 96 GLY H H 8.53 0.03 1 1022 270 96 GLY HA2 H 4.39 0.03 2 1023 270 96 GLY HA3 H 4.16 0.03 2 1024 270 96 GLY N N 108.60 0.02 1 1025 271 97 ASN C C 174.44 0.10 1 1026 271 97 ASN CA C 50.85 0.10 1 1027 271 97 ASN CB C 38.29 0.10 1 1028 271 97 ASN H H 8.43 0.03 1 1029 271 97 ASN HA H 5.18 0.03 1 1030 271 97 ASN HB2 H 2.80 0.03 2 1031 271 97 ASN HB3 H 2.61 0.03 2 1032 271 97 ASN N N 116.23 0.02 1 1033 272 98 PRO C C 177.36 0.10 1 1034 272 98 PRO CA C 62.89 0.10 1 1035 272 98 PRO CB C 32.15 0.10 1 1036 272 98 PRO CD C 50.60 0.10 1 1037 272 98 PRO CG C 27.88 0.10 1 1038 272 98 PRO HA H 4.84 0.03 1 1039 272 98 PRO HB2 H 1.59 0.03 2 1040 272 98 PRO HB3 H 2.03 0.03 2 1041 272 98 PRO HD2 H 3.94 0.03 1 1042 272 98 PRO HD3 H 3.66 0.03 1 1043 272 98 PRO HG2 H 1.91 0.03 2 1044 272 98 PRO HG3 H 2.05 0.03 2 1045 273 99 VAL C C 175.00 0.10 1 1046 273 99 VAL CA C 59.98 0.10 1 1047 273 99 VAL CB C 34.92 0.10 1 1048 273 99 VAL CG1 C 21.05 0.10 1 1049 273 99 VAL CG2 C 20.34 0.10 1 1050 273 99 VAL H H 9.19 0.03 1 1051 273 99 VAL HA H 4.55 0.03 1 1052 273 99 VAL HB H 2.04 0.03 1 1053 273 99 VAL HG1 H 0.98 0.03 1 1054 273 99 VAL HG2 H 0.97 0.03 1 1055 273 99 VAL N N 120.98 0.02 1 1056 274 100 GLU C C 176.76 0.10 1 1057 274 100 GLU CA C 56.11 0.10 1 1058 274 100 GLU CB C 30.11 0.10 1 1059 274 100 GLU CG C 36.24 0.10 1 1060 274 100 GLU H H 8.56 0.03 1 1061 274 100 GLU HA H 4.54 0.03 1 1062 274 100 GLU HB2 H 1.96 0.03 2 1063 274 100 GLU HB3 H 1.79 0.03 2 1064 274 100 GLU HG2 H 2.43 0.03 2 1065 274 100 GLU HG3 H 1.96 0.03 2 1066 274 100 GLU N N 124.49 0.02 1 1067 275 101 LEU C C 175.51 0.10 1 1068 275 101 LEU CA C 53.84 0.10 1 1069 275 101 LEU CB C 45.55 0.10 1 1070 275 101 LEU CD1 C 26.29 0.10 1 1071 275 101 LEU CD2 C 22.53 0.10 1 1072 275 101 LEU CG C 26.42 0.10 1 1073 275 101 LEU H H 8.65 0.03 1 1074 275 101 LEU HA H 4.54 0.03 1 1075 275 101 LEU HB2 H 1.69 0.03 2 1076 275 101 LEU HB3 H 1.24 0.03 2 1077 275 101 LEU HD1 H 0.76 0.03 1 1078 275 101 LEU HD2 H 0.87 0.03 1 1079 275 101 LEU HG H 1.67 0.03 1 1080 275 101 LEU N N 124.62 0.02 1 1081 276 102 ALA C C 175.91 0.10 1 1082 276 102 ALA CA C 50.09 0.10 1 1083 276 102 ALA CB C 22.50 0.10 1 1084 276 102 ALA H H 8.99 0.03 1 1085 276 102 ALA HA H 4.61 0.03 1 1086 276 102 ALA HB H 1.35 0.03 1 1087 276 102 ALA N N 126.36 0.02 1 1088 277 103 SER C C 175.85 0.10 1 1089 277 103 SER CA C 61.68 0.10 1 1090 277 103 SER CB C 63.40 0.10 1 1091 277 103 SER H H 8.57 0.03 1 1092 277 103 SER HA H 3.83 0.03 1 1093 277 103 SER HB2 H 3.99 0.03 2 1094 277 103 SER HB3 H 3.93 0.03 2 1095 277 103 SER N N 114.44 0.02 1 1096 278 104 ASP C C 174.43 0.10 1 1097 278 104 ASP CA C 57.23 0.10 1 1098 278 104 ASP CB C 39.02 0.10 1 1099 278 104 ASP H H 9.33 0.03 1 1100 278 104 ASP HA H 4.23 0.03 1 1101 278 104 ASP HB2 H 3.31 0.03 2 1102 278 104 ASP HB3 H 3.01 0.03 2 1103 278 104 ASP N N 120.79 0.02 1 1104 279 105 ASP C C 174.57 0.10 1 1105 279 105 ASP CA C 55.60 0.10 1 1106 279 105 ASP CB C 41.90 0.10 1 1107 279 105 ASP H H 7.61 0.03 1 1108 279 105 ASP HA H 4.79 0.03 1 1109 279 105 ASP HB2 H 2.63 0.03 2 1110 279 105 ASP HB3 H 2.14 0.03 2 1111 279 105 ASP N N 120.73 0.02 1 1112 280 106 ILE C C 177.29 0.10 1 1113 280 106 ILE CA C 59.40 0.10 1 1114 280 106 ILE CB C 39.87 0.10 1 1115 280 106 ILE CD1 C 12.71 0.10 1 1116 280 106 ILE CG1 C 28.30 0.10 1 1117 280 106 ILE CG2 C 17.84 0.10 1 1118 280 106 ILE H H 7.87 0.03 1 1119 280 106 ILE HA H 4.83 0.03 1 1120 280 106 ILE HB H 1.70 0.03 1 1121 280 106 ILE HD1 H 0.85 0.03 1 1122 280 106 ILE HG12 H 1.62 0.03 2 1123 280 106 ILE HG13 H 1.02 0.03 2 1124 280 106 ILE HG2 H 0.64 0.03 1 1125 280 106 ILE N N 115.50 0.02 1 1126 281 107 ILE C C 176.35 0.10 1 1127 281 107 ILE CA C 59.49 0.10 1 1128 281 107 ILE CB C 40.89 0.10 1 1129 281 107 ILE CD1 C 14.18 0.10 1 1130 281 107 ILE CG1 C 25.98 0.10 1 1131 281 107 ILE CG2 C 18.28 0.10 1 1132 281 107 ILE H H 9.78 0.03 1 1133 281 107 ILE HA H 4.90 0.03 1 1134 281 107 ILE HB H 1.57 0.03 1 1135 281 107 ILE HD1 H 0.57 0.03 1 1136 281 107 ILE HG12 H 1.53 0.03 1 1137 281 107 ILE HG13 H 1.53 0.03 1 1138 281 107 ILE HG2 H 0.64 0.03 1 1139 281 107 ILE N N 132.95 0.02 1 1140 282 108 THR C C 173.62 0.10 1 1141 282 108 THR CA C 61.67 0.10 1 1142 282 108 THR CB C 69.36 0.10 1 1143 282 108 THR CG2 C 20.26 0.10 1 1144 282 108 THR H H 9.37 0.03 1 1145 282 108 THR HA H 5.13 0.03 1 1146 282 108 THR HB H 3.74 0.03 1 1147 282 108 THR HG2 H 0.82 0.03 1 1148 282 108 THR N N 125.70 0.02 1 1149 283 109 LEU C C 174.84 0.10 1 1150 283 109 LEU CA C 55.04 0.10 1 1151 283 109 LEU CB C 41.59 0.10 1 1152 283 109 LEU CD1 C 27.66 0.10 1 1153 283 109 LEU CD2 C 26.73 0.10 1 1154 283 109 LEU CG C 26.86 0.10 1 1155 283 109 LEU H H 8.36 0.03 1 1156 283 109 LEU HA H 4.60 0.03 1 1157 283 109 LEU HB2 H 0.22 0.03 2 1158 283 109 LEU HB3 H 1.11 0.03 2 1159 283 109 LEU HD1 H 0.53 0.03 1 1160 283 109 LEU HD2 H 0.41 0.03 1 1161 283 109 LEU HG H 1.15 0.03 1 1162 283 109 LEU N N 128.11 0.02 1 1163 284 110 GLY C C 172.36 0.10 1 1164 284 110 GLY CA C 45.55 0.10 1 1165 284 110 GLY H H 8.31 0.03 1 1166 284 110 GLY HA2 H 3.92 0.03 2 1167 284 110 GLY HA3 H 3.27 0.03 2 1168 284 110 GLY N N 112.18 0.02 1 1169 285 111 THR C C 175.83 0.10 1 1170 285 111 THR CA C 62.70 0.10 1 1171 285 111 THR CB C 70.52 0.10 1 1172 285 111 THR CG2 C 21.65 0.10 1 1173 285 111 THR H H 8.06 0.03 1 1174 285 111 THR HA H 4.45 0.03 1 1175 285 111 THR HB H 4.12 0.03 1 1176 285 111 THR HG2 H 1.10 0.03 1 1177 285 111 THR N N 114.40 0.02 1 1178 286 112 THR C C 174.59 0.10 1 1179 286 112 THR CA C 64.78 0.10 1 1180 286 112 THR CB C 68.61 0.10 1 1181 286 112 THR CG2 C 21.43 0.10 1 1182 286 112 THR H H 9.28 0.03 1 1183 286 112 THR HA H 4.21 0.03 1 1184 286 112 THR HB H 4.01 0.03 1 1185 286 112 THR HG2 H 1.09 0.03 1 1186 286 112 THR N N 119.86 0.02 1 1187 287 113 THR C C 173.62 0.10 1 1188 287 113 THR CA C 65.30 0.10 1 1189 287 113 THR CB C 68.66 0.10 1 1190 287 113 THR CG2 C 23.48 0.10 1 1191 287 113 THR H H 7.86 0.03 1 1192 287 113 THR HA H 4.27 0.03 1 1193 287 113 THR HB H 4.02 0.03 1 1194 287 113 THR HG2 H 1.21 0.03 1 1195 287 113 THR N N 120.55 0.02 1 1196 288 114 LYS C C 175.68 0.10 1 1197 288 114 LYS CA C 54.33 0.10 1 1198 288 114 LYS CB C 37.26 0.10 1 1199 288 114 LYS CD C 29.35 0.10 1 1200 288 114 LYS CE C 42.39 0.10 1 1201 288 114 LYS CG C 25.17 0.10 1 1202 288 114 LYS H H 7.64 0.03 1 1203 288 114 LYS HA H 5.58 0.03 1 1204 288 114 LYS HB2 H 1.41 0.03 2 1205 288 114 LYS HB3 H 1.36 0.03 2 1206 288 114 LYS HD2 H 1.15 0.03 2 1207 288 114 LYS HD3 H 1.05 0.03 2 1208 288 114 LYS HE2 H 2.76 0.03 2 1209 288 114 LYS HE3 H 2.72 0.03 2 1210 288 114 LYS HG2 H 1.18 0.03 5 1211 288 114 LYS HG3 H 1.44 0.03 5 1212 288 114 LYS N N 125.03 0.02 1 1213 289 115 VAL C C 173.18 0.10 1 1214 289 115 VAL CA C 60.57 0.10 1 1215 289 115 VAL CB C 35.39 0.10 1 1216 289 115 VAL CG1 C 22.83 0.10 1 1217 289 115 VAL CG2 C 21.77 0.10 1 1218 289 115 VAL H H 9.71 0.03 1 1219 289 115 VAL HA H 4.68 0.03 1 1220 289 115 VAL HB H 1.79 0.03 1 1221 289 115 VAL HG1 H 0.67 0.03 1 1222 289 115 VAL HG2 H 0.64 0.03 1 1223 289 115 VAL N N 123.98 0.02 1 1224 290 116 TYR C C 174.44 0.10 1 1225 290 116 TYR CA C 57.85 0.10 1 1226 290 116 TYR CB C 41.84 0.10 1 1227 290 116 TYR CD1 C 132.56 0.10 3 1228 290 116 TYR CE1 C 117.75 0.10 3 1229 290 116 TYR H H 9.79 0.03 1 1230 290 116 TYR HA H 4.69 0.03 1 1231 290 116 TYR HB2 H 2.84 0.03 2 1232 290 116 TYR HB3 H 3.05 0.03 2 1233 290 116 TYR HD1 H 6.86 0.03 3 1234 290 116 TYR HE1 H 6.76 0.03 1 1235 290 116 TYR N N 131.70 0.02 1 1236 291 117 VAL C C 173.85 0.10 1 1237 291 117 VAL CA C 61.58 0.10 1 1238 291 117 VAL CB C 33.89 0.10 1 1239 291 117 VAL CG1 C 21.94 0.10 1 1240 291 117 VAL CG2 C 21.52 0.10 1 1241 291 117 VAL H H 8.10 0.03 1 1242 291 117 VAL HA H 4.44 0.03 1 1243 291 117 VAL HB H 2.09 0.03 1 1244 291 117 VAL HG1 H 0.62 0.03 1 1245 291 117 VAL HG2 H 0.71 0.03 1 1246 291 117 VAL N N 129.89 0.02 1 1247 292 118 ARG C C 173.97 0.10 1 1248 292 118 ARG CA C 55.58 0.10 1 1249 292 118 ARG CB C 33.97 0.10 1 1250 292 118 ARG CD C 43.42 0.10 1 1251 292 118 ARG CG C 28.87 0.10 1 1252 292 118 ARG H H 9.02 0.03 1 1253 292 118 ARG HA H 4.83 0.03 1 1254 292 118 ARG HB2 H 1.87 0.03 2 1255 292 118 ARG HB3 H 1.74 0.03 2 1256 292 118 ARG HD2 H 3.09 0.03 2 1257 292 118 ARG HD3 H 3.05 0.03 2 1258 292 118 ARG HG2 H 1.60 0.03 1 1259 292 118 ARG HG3 H 1.60 0.03 1 1260 292 118 ARG N N 127.01 0.02 1 1261 293 119 ILE C C 176.44 0.10 1 1262 293 119 ILE CA C 59.79 0.10 1 1263 293 119 ILE CB C 42.83 0.10 1 1264 293 119 ILE CD1 C 14.69 0.10 1 1265 293 119 ILE CG1 C 28.93 0.10 1 1266 293 119 ILE CG2 C 17.77 0.10 1 1267 293 119 ILE H H 8.31 0.03 1 1268 293 119 ILE HA H 5.32 0.03 1 1269 293 119 ILE HB H 1.47 0.03 1 1270 293 119 ILE HD1 H 0.75 0.03 1 1271 293 119 ILE HG12 H 1.27 0.03 2 1272 293 119 ILE HG13 H 0.81 0.03 2 1273 293 119 ILE HG2 H 1.16 0.03 1 1274 293 119 ILE N N 125.08 0.02 1 1275 294 120 SER C C 173.62 0.10 1 1276 294 120 SER CA C 56.99 0.10 1 1277 294 120 SER CB C 66.03 0.10 1 1278 294 120 SER H H 9.29 0.03 1 1279 294 120 SER HA H 5.03 0.03 1 1280 294 120 SER HB2 H 3.96 0.03 1 1281 294 120 SER HB3 H 3.96 0.03 1 1282 294 120 SER N N 123.13 0.02 1 1283 295 121 SER C C 173.88 0.10 1 1284 295 121 SER CA C 58.39 0.10 1 1285 295 121 SER CB C 64.71 0.10 1 1286 295 121 SER H H 8.90 0.03 1 1287 295 121 SER HA H 5.06 0.03 1 1288 295 121 SER HB2 H 4.02 0.03 1 1289 295 121 SER HB3 H 4.02 0.03 1 1290 295 121 SER N N 119.89 0.02 1 1291 296 122 GLN C C 174.95 0.10 1 1292 296 122 GLN CA C 55.51 0.10 1 1293 296 122 GLN CB C 30.41 0.10 1 1294 296 122 GLN CG C 33.67 0.10 1 1295 296 122 GLN H H 8.58 0.03 1 1296 296 122 GLN HA H 4.56 0.03 1 1297 296 122 GLN HB2 H 2.12 0.03 2 1298 296 122 GLN HB3 H 1.98 0.03 2 1299 296 122 GLN HG2 H 2.31 0.03 1 1300 296 122 GLN HG3 H 2.31 0.03 1 1301 296 122 GLN N N 122.69 0.02 1 1302 297 123 ASN C C 173.87 0.10 1 1303 297 123 ASN CA C 53.47 0.10 1 1304 297 123 ASN CB C 38.95 0.10 1 1305 297 123 ASN H H 8.61 0.03 1 1306 297 123 ASN HA H 4.64 0.03 1 1307 297 123 ASN HB2 H 2.63 0.03 2 1308 297 123 ASN HB3 H 2.41 0.03 2 1309 297 123 ASN N N 122.19 0.02 1 1310 298 124 GLU CA C 58.05 0.10 1 1311 298 124 GLU CB C 31.40 0.10 1 1312 298 124 GLU CG C 36.38 0.10 1 1313 298 124 GLU H H 7.83 0.03 1 1314 298 124 GLU HA H 4.08 0.03 1 1315 298 124 GLU HB2 H 1.97 0.03 2 1316 298 124 GLU HB3 H 1.80 0.03 2 1317 298 124 GLU HG2 H 2.10 0.03 1 1318 298 124 GLU HG3 H 2.10 0.03 1 1319 298 124 GLU N N 125.94 0.02 1 1320 300 126 GLN C C 178.35 0.10 1 1321 300 126 GLN CA C 55.88 0.10 1 1322 300 126 GLN CB C 24.78 0.10 1 1323 300 126 GLN CG C 33.35 0.10 1 1324 300 126 GLN HA H 3.81 0.03 1 1325 300 126 GLN HB2 H 1.35 0.03 2 1326 300 126 GLN HB3 H 1.31 0.03 9 1327 300 126 GLN HG2 H 1.76 0.03 2 1328 300 126 GLN HG3 H 1.68 0.03 2 1329 301 127 ILE C C 175.82 0.10 5 1330 301 127 ILE CA C 61.23 0.10 5 1331 301 127 ILE CB C 38.75 0.10 5 1332 301 127 ILE CD1 C 12.66 0.10 5 1333 301 127 ILE CG1 C 27.20 0.10 5 1334 301 127 ILE CG2 C 17.27 0.10 5 1335 301 127 ILE HA H 1.79 0.03 5 1336 301 127 ILE HD1 H 0.80 0.03 5 1337 301 127 ILE HG12 H 1.12 0.03 5 1338 301 127 ILE HG13 H 1.42 0.03 5 1339 301 127 ILE HG2 H 0.83 0.03 5 1340 304 130 LYS C C 172.09 0.10 1 1341 304 130 LYS CA C 56.25 0.10 1 1342 304 130 LYS CB C 34.17 0.10 1 1343 304 130 LYS CD C 29.23 0.10 1 1344 304 130 LYS CE C 42.20 0.10 1 1345 304 130 LYS CG C 29.30 0.10 1 1346 304 130 LYS HA H 4.23 0.03 1 1347 304 130 LYS HB2 H 1.37 0.03 2 1348 304 130 LYS HD2 H 1.16 0.03 1 1349 304 130 LYS HD3 H 1.16 0.03 1 1350 304 130 LYS HE2 H 2.71 0.03 2 1351 304 130 LYS HE3 H 2.76 0.03 2 1352 304 130 LYS HG2 H 1.05 0.03 1 1353 304 130 LYS HG3 H 1.05 0.03 1 1354 306 132 GLY CA C 44.35 0.10 1 1355 306 132 GLY HA2 H 3.48 0.03 2 1356 307 133 VAL CA C 61.27 0.10 1 1357 307 133 VAL CB C 32.85 0.10 1 1358 307 133 VAL CG1 C 19.32 0.10 1 1359 307 133 VAL CG2 C 20.20 0.10 1 1360 307 133 VAL HA H 3.72 0.03 1 1361 307 133 VAL HB H 2.11 0.03 1 1362 307 133 VAL HG1 H 0.91 0.03 1 1363 307 133 VAL HG2 H 0.96 0.03 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 67 '66,57,56,54' '629,627,624,619,617,616,614' '723,721,713,711,710' '1017,1016,1008,1007,1005' '1339,1339,1339,1338,1337,1336,1336,1336,1335,1211,1210,669,668,108' stop_ save_