data_11523 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second RRM domain of Nrd1 ; _BMRB_accession_number 11523 _BMRB_flat_file_name bmr11523.str _Entry_type original _Submission_date 2013-04-16 _Accession_date 2013-04-16 _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 Kobayashi Ayaho . . 2 Kanaba Teppei . . 3 Mishima Masaki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 530 "13C chemical shifts" 410 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ _Original_release_date 2014-04-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the second RRM domain of Nrd1, a fission yeast MAPK target RNA binding protein, and implication for its RNA recognition and regulation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23770370 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Ayaho . . 2 Kanaba Teppei . . 3 Satoh Ryosuke . . 4 Fujiwara Toshinobu . . 5 Ito Yutaka . . 6 Sugiura Reiko . . 7 Mishima Masaki . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 437 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12 _Page_last 17 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'the second RRM domain of Nrd1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nrd1_RRM2 $Nrd1_RRM2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nrd1_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nrd1_RRM2 _Molecular_mass 10793.440 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; NSASNSSVLLAVQQSGACRN VFLGNLPNGITEDEIREDLE PFGPIDQIKIVTERNIAFVH FLNIAAAIKAVQELPLNPKW SKRRIYYGRDRCAVGLK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 188 ASN 2 189 SER 3 190 ALA 4 191 SER 5 192 ASN 6 193 SER 7 194 SER 8 195 VAL 9 196 LEU 10 197 LEU 11 198 ALA 12 199 VAL 13 200 GLN 14 201 GLN 15 202 SER 16 203 GLY 17 204 ALA 18 205 CYS 19 206 ARG 20 207 ASN 21 208 VAL 22 209 PHE 23 210 LEU 24 211 GLY 25 212 ASN 26 213 LEU 27 214 PRO 28 215 ASN 29 216 GLY 30 217 ILE 31 218 THR 32 219 GLU 33 220 ASP 34 221 GLU 35 222 ILE 36 223 ARG 37 224 GLU 38 225 ASP 39 226 LEU 40 227 GLU 41 228 PRO 42 229 PHE 43 230 GLY 44 231 PRO 45 232 ILE 46 233 ASP 47 234 GLN 48 235 ILE 49 236 LYS 50 237 ILE 51 238 VAL 52 239 THR 53 240 GLU 54 241 ARG 55 242 ASN 56 243 ILE 57 244 ALA 58 245 PHE 59 246 VAL 60 247 HIS 61 248 PHE 62 249 LEU 63 250 ASN 64 251 ILE 65 252 ALA 66 253 ALA 67 254 ALA 68 255 ILE 69 256 LYS 70 257 ALA 71 258 VAL 72 259 GLN 73 260 GLU 74 261 LEU 75 262 PRO 76 263 LEU 77 264 ASN 78 265 PRO 79 266 LYS 80 267 TRP 81 268 SER 82 269 LYS 83 270 ARG 84 271 ARG 85 272 ILE 86 273 TYR 87 274 TYR 88 275 GLY 89 276 ARG 90 277 ASP 91 278 ARG 92 279 CYS 93 280 ALA 94 281 VAL 95 282 GLY 96 283 LEU 97 284 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-06 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 PDB 2RT3 "Solution Structure Of The Second Rrm Domain Of Nrd1" 100.00 97 100.00 100.00 7.95e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nrd1_RRM2 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $Nrd1_RRM2 'recombinant technology' 'E. coli' Escherichia coli . pET-49b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $Nrd1_RRM2 1.0 mM '[U-99% 13C; U-99% 15N]' H2O 93 % . D2O 7 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $Nrd1_RRM2 1.2 mM '[U-99% 15N]' H2O 93 % . D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $Nrd1_RRM2 1.0 mM '[U-99% 13C; U-99% 15N]' D2O 100 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $Nrd1_RRM2 0.35 mM '[U-10% 13C; U-99% 15N]' H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_4D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_HA(CA)HB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)HB' _Sample_label $sample_3 save_ save_2D_1H-13C_CT-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNCO' '3D H(CCO)NH' '3D C(CO)NH' '4D H(CCO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HNHB' '3D HA(CA)HB' '2D 1H-13C CT-HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Nrd1_RRM2 _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 1 188 1 ASN HA H 4.745 0.04 1 2 188 1 ASN HB2 H 2.792 0.04 2 3 188 1 ASN HB3 H 2.853 0.04 2 4 188 1 ASN H H 8.599 0.04 1 5 188 1 ASN C C 175.334 0.40 1 6 188 1 ASN CA C 53.269 0.40 1 7 188 1 ASN CB C 38.741 0.40 1 8 188 1 ASN N N 120.496 0.40 1 9 189 2 SER H H 8.183 0.04 1 10 189 2 SER HA H 4.397 0.04 1 11 189 2 SER HB2 H 3.838 0.04 2 12 189 2 SER HB3 H 3.905 0.04 2 13 189 2 SER C C 174.298 0.40 1 14 189 2 SER CA C 58.685 0.40 1 15 189 2 SER CB C 63.744 0.40 1 16 189 2 SER N N 118.215 0.40 1 17 190 3 ALA H H 8.333 0.04 1 18 190 3 ALA HA H 4.367 0.04 1 19 190 3 ALA HB H 1.394 0.04 1 20 190 3 ALA C C 177.856 0.40 1 21 190 3 ALA CA C 52.616 0.40 1 22 190 3 ALA CB C 19.075 0.40 1 23 190 3 ALA N N 127.653 0.40 1 24 191 4 SER H H 8.191 0.04 1 25 191 4 SER HA H 4.414 0.04 1 26 191 4 SER HB2 H 3.833 0.04 2 27 191 4 SER HB3 H 3.885 0.04 2 28 191 4 SER C C 174.452 0.40 1 29 191 4 SER CA C 58.454 0.40 1 30 191 4 SER CB C 63.828 0.40 1 31 191 4 SER N N 116.415 0.40 1 32 192 5 ASN H H 8.331 0.04 1 33 192 5 ASN HA H 4.752 0.04 1 34 192 5 ASN HB2 H 2.841 0.04 2 35 192 5 ASN HB3 H 2.795 0.04 2 36 192 5 ASN C C 175.478 0.40 1 37 192 5 ASN CA C 53.457 0.40 1 38 192 5 ASN CB C 38.847 0.40 1 39 192 5 ASN N N 122.512 0.40 1 40 193 6 SER H H 8.236 0.04 1 41 193 6 SER HA H 4.394 0.04 1 42 193 6 SER HB2 H 3.845 0.04 2 43 193 6 SER HB3 H 3.917 0.04 2 44 193 6 SER C C 174.914 0.40 1 45 193 6 SER CA C 59.097 0.40 1 46 193 6 SER CB C 63.544 0.40 1 47 193 6 SER N N 117.776 0.40 1 48 194 7 SER H H 8.301 0.04 1 49 194 7 SER HA H 4.393 0.04 1 50 194 7 SER HB2 H 3.832 0.04 2 51 194 7 SER HB3 H 3.920 0.04 2 52 194 7 SER C C 175.096 0.40 1 53 194 7 SER CA C 59.265 0.40 1 54 194 7 SER CB C 63.406 0.40 1 55 194 7 SER N N 119.840 0.40 1 56 195 8 VAL H H 7.905 0.04 1 57 195 8 VAL HA H 4.000 0.04 1 58 195 8 VAL HB H 2.066 0.04 1 59 195 8 VAL HG1 H 0.869 0.04 1 60 195 8 VAL HG2 H 0.924 0.04 1 61 195 8 VAL C C 176.195 0.40 1 62 195 8 VAL CA C 63.201 0.40 1 63 195 8 VAL CB C 32.254 0.40 1 64 195 8 VAL CG1 C 21.089 0.40 1 65 195 8 VAL CG2 C 20.721 0.40 1 66 195 8 VAL N N 123.626 0.40 1 67 196 9 LEU H H 7.964 0.04 1 68 196 9 LEU HA H 4.240 0.04 1 69 196 9 LEU HB2 H 1.619 0.04 2 70 196 9 LEU HB3 H 1.555 0.04 2 71 196 9 LEU HG H 1.539 0.04 1 72 196 9 LEU HD1 H 0.881 0.04 1 73 196 9 LEU HD2 H 0.806 0.04 1 74 196 9 LEU C C 177.577 0.40 1 75 196 9 LEU CA C 55.821 0.40 1 76 196 9 LEU CB C 41.976 0.40 1 77 196 9 LEU CG C 27.032 0.40 1 78 196 9 LEU CD1 C 24.732 0.40 1 79 196 9 LEU CD2 C 23.446 0.40 1 80 196 9 LEU N N 125.310 0.40 1 81 197 10 LEU H H 7.954 0.04 1 82 197 10 LEU HA H 4.250 0.04 1 83 197 10 LEU HB2 H 1.583 0.04 2 84 197 10 LEU HB3 H 1.637 0.04 2 85 197 10 LEU HG H 1.544 0.04 1 86 197 10 LEU HD1 H 0.889 0.04 1 87 197 10 LEU HD2 H 0.823 0.04 1 88 197 10 LEU C C 177.334 0.40 1 89 197 10 LEU CA C 55.720 0.40 1 90 197 10 LEU CB C 42.169 0.40 1 91 197 10 LEU CG C 27.029 0.40 1 92 197 10 LEU CD1 C 24.732 0.40 1 93 197 10 LEU CD2 C 23.442 0.40 1 94 197 10 LEU N N 123.630 0.40 1 95 198 11 ALA H H 7.972 0.04 1 96 198 11 ALA HA H 4.264 0.04 1 97 198 11 ALA HB H 1.360 0.04 1 98 198 11 ALA C C 178.358 0.40 1 99 198 11 ALA CA C 53.048 0.40 1 100 198 11 ALA CB C 18.848 0.40 1 101 198 11 ALA N N 125.250 0.40 1 102 199 12 VAL H H 7.900 0.04 1 103 199 12 VAL HA H 3.998 0.04 1 104 199 12 VAL HB H 2.049 0.04 1 105 199 12 VAL HG1 H 0.922 0.04 1 106 199 12 VAL HG2 H 0.856 0.04 1 107 199 12 VAL C C 176.657 0.40 1 108 199 12 VAL CA C 63.176 0.40 1 109 199 12 VAL CB C 32.451 0.40 1 110 199 12 VAL CG1 C 21.134 0.40 1 111 199 12 VAL CG2 C 20.680 0.40 1 112 199 12 VAL N N 120.139 0.40 1 113 200 13 GLN H H 8.258 0.04 1 114 200 13 GLN HA H 4.306 0.04 1 115 200 13 GLN HB2 H 2.046 0.04 2 116 200 13 GLN HB3 H 1.980 0.04 2 117 200 13 GLN HG2 H 2.347 0.04 2 118 200 13 GLN HG3 H 2.390 0.04 2 119 200 13 GLN C C 176.392 0.40 1 120 200 13 GLN CA C 56.406 0.40 1 121 200 13 GLN CB C 29.305 0.40 1 122 200 13 GLN CG C 33.671 0.40 1 123 200 13 GLN N N 124.463 0.40 1 124 201 14 GLN H H 8.395 0.04 1 125 201 14 GLN HA H 4.398 0.04 1 126 201 14 GLN HB2 H 2.027 0.04 2 127 201 14 GLN HB3 H 2.118 0.04 2 128 201 14 GLN HG2 H 2.415 0.04 2 129 201 14 GLN HG3 H 2.339 0.04 2 130 201 14 GLN C C 176.169 0.40 1 131 201 14 GLN CA C 56.202 0.40 1 132 201 14 GLN CB C 29.440 0.40 1 133 201 14 GLN CG C 33.784 0.40 1 134 201 14 GLN N N 122.281 0.40 1 135 202 15 SER H H 8.190 0.04 1 136 202 15 SER HA H 4.479 0.04 1 137 202 15 SER HB2 H 3.887 0.04 2 138 202 15 SER HB3 H 3.937 0.04 2 139 202 15 SER C C 174.809 0.40 1 140 202 15 SER CA C 58.748 0.40 1 141 202 15 SER CB C 63.982 0.40 1 142 202 15 SER N N 117.989 0.40 1 143 203 16 GLY H H 8.201 0.04 1 144 203 16 GLY HA2 H 3.862 0.04 2 145 203 16 GLY HA3 H 3.966 0.04 2 146 203 16 GLY C C 173.178 0.40 1 147 203 16 GLY CA C 45.047 0.40 1 148 203 16 GLY N N 112.111 0.40 1 149 204 17 ALA H H 7.518 0.04 1 150 204 17 ALA HA H 2.334 0.04 1 151 204 17 ALA HB H 0.954 0.04 1 152 204 17 ALA C C 176.622 0.40 1 153 204 17 ALA CA C 52.145 0.40 1 154 204 17 ALA CB C 19.366 0.40 1 155 204 17 ALA N N 123.187 0.40 1 156 205 18 CYS H H 6.948 0.04 1 157 205 18 CYS HA H 4.526 0.04 1 158 205 18 CYS HB2 H 3.063 0.04 2 159 205 18 CYS HB3 H 3.177 0.04 2 160 205 18 CYS C C 171.904 0.40 1 161 205 18 CYS CA C 56.431 0.40 1 162 205 18 CYS CB C 29.194 0.40 1 163 205 18 CYS N N 116.934 0.40 1 164 206 19 ARG H H 8.489 0.04 1 165 206 19 ARG HA H 3.968 0.04 1 166 206 19 ARG HB2 H 1.594 0.04 1 167 206 19 ARG HB3 H 2.164 0.04 1 168 206 19 ARG HG2 H 1.673 0.04 2 169 206 19 ARG HG3 H 1.701 0.04 2 170 206 19 ARG HD2 H 3.179 0.04 2 171 206 19 ARG HD3 H 3.136 0.04 2 172 206 19 ARG C C 174.814 0.40 1 173 206 19 ARG CA C 58.600 0.40 1 174 206 19 ARG CB C 30.438 0.40 1 175 206 19 ARG CG C 29.102 0.40 1 176 206 19 ARG CD C 43.408 0.40 1 177 206 19 ARG N N 118.738 0.40 1 178 207 20 ASN H H 7.809 0.04 1 179 207 20 ASN HA H 5.481 0.04 1 180 207 20 ASN HB2 H 2.855 0.04 1 181 207 20 ASN HB3 H 2.748 0.04 1 182 207 20 ASN C C 174.022 0.40 1 183 207 20 ASN CA C 52.885 0.40 1 184 207 20 ASN CB C 40.388 0.40 1 185 207 20 ASN N N 118.733 0.40 1 186 208 21 VAL H H 9.346 0.04 1 187 208 21 VAL HA H 4.523 0.04 1 188 208 21 VAL HB H 1.956 0.04 1 189 208 21 VAL HG1 H 0.741 0.04 1 190 208 21 VAL HG2 H 1.061 0.04 1 191 208 21 VAL C C 173.535 0.40 1 192 208 21 VAL CA C 62.012 0.40 1 193 208 21 VAL CB C 35.039 0.40 1 194 208 21 VAL CG1 C 21.417 0.40 1 195 208 21 VAL CG2 C 22.603 0.40 1 196 208 21 VAL N N 126.663 0.40 1 197 209 22 PHE H H 9.208 0.04 1 198 209 22 PHE HA H 4.878 0.04 1 199 209 22 PHE HB2 H 2.435 0.04 2 200 209 22 PHE HB3 H 2.542 0.04 2 201 209 22 PHE HD1 H 6.807 0.04 3 202 209 22 PHE HE1 H 7.043 0.04 3 203 209 22 PHE C C 172.675 0.40 1 204 209 22 PHE CA C 56.284 0.40 1 205 209 22 PHE CB C 41.155 0.40 1 206 209 22 PHE CD1 C 131.952 0.40 3 207 209 22 PHE N N 129.867 0.40 1 208 210 23 LEU H H 8.351 0.04 1 209 210 23 LEU HA H 5.240 0.04 1 210 210 23 LEU HB2 H 1.802 0.04 1 211 210 23 LEU HB3 H 1.439 0.04 1 212 210 23 LEU HG H 1.573 0.04 1 213 210 23 LEU HD1 H 0.834 0.04 1 214 210 23 LEU HD2 H 0.757 0.04 1 215 210 23 LEU C C 175.097 0.40 1 216 210 23 LEU CA C 51.908 0.40 1 217 210 23 LEU CB C 44.380 0.40 1 218 210 23 LEU CG C 26.576 0.40 1 219 210 23 LEU CD1 C 26.920 0.40 1 220 210 23 LEU CD2 C 24.243 0.40 1 221 210 23 LEU N N 125.331 0.40 1 222 211 24 GLY H H 9.326 0.04 1 223 211 24 GLY HA2 H 3.680 0.04 2 224 211 24 GLY HA3 H 4.995 0.04 2 225 211 24 GLY C C 173.475 0.40 1 226 211 24 GLY CA C 43.691 0.40 1 227 211 24 GLY N N 108.889 0.40 1 228 212 25 ASN H H 8.905 0.04 1 229 212 25 ASN HA H 4.353 0.04 1 230 212 25 ASN HB2 H 2.787 0.04 2 231 212 25 ASN HB3 H 3.312 0.04 2 232 212 25 ASN C C 174.483 0.40 1 233 212 25 ASN CA C 53.828 0.40 1 234 212 25 ASN CB C 37.499 0.40 1 235 212 25 ASN N N 117.624 0.40 1 236 213 26 LEU H H 7.799 0.04 1 237 213 26 LEU HA H 3.987 0.04 1 238 213 26 LEU HB2 H 1.113 0.04 1 239 213 26 LEU HB3 H 1.275 0.04 1 240 213 26 LEU HG H 1.442 0.04 1 241 213 26 LEU HD1 H 0.605 0.04 2 242 213 26 LEU HD2 H 0.638 0.04 2 243 213 26 LEU C C 174.480 0.40 1 244 213 26 LEU CA C 52.752 0.40 1 245 213 26 LEU CB C 40.079 0.40 1 246 213 26 LEU CG C 26.467 0.40 1 247 213 26 LEU CD1 C 26.217 0.40 1 248 213 26 LEU CD2 C 22.373 0.40 1 249 213 26 LEU N N 116.745 0.40 1 250 214 27 PRO HA H 4.366 0.04 1 251 214 27 PRO HB2 H 2.143 0.04 2 252 214 27 PRO HB3 H 1.742 0.04 2 253 214 27 PRO HG2 H 1.857 0.04 2 254 214 27 PRO HG3 H 1.814 0.04 2 255 214 27 PRO HD2 H 3.322 0.04 2 256 214 27 PRO HD3 H 3.119 0.04 2 257 214 27 PRO C C 177.168 0.40 1 258 214 27 PRO CA C 61.948 0.40 1 259 214 27 PRO CB C 31.641 0.40 1 260 214 27 PRO CG C 27.650 0.40 1 261 214 27 PRO CD C 49.511 0.40 1 262 215 28 ASN H H 8.549 0.04 1 263 215 28 ASN HA H 4.355 0.04 1 264 215 28 ASN HB2 H 2.683 0.04 2 265 215 28 ASN HB3 H 2.648 0.04 2 266 215 28 ASN C C 176.945 0.40 1 267 215 28 ASN CA C 54.682 0.40 1 268 215 28 ASN CB C 38.089 0.40 1 269 215 28 ASN N N 122.324 0.40 1 270 216 29 GLY H H 8.741 0.04 1 271 216 29 GLY HA2 H 3.985 0.04 2 272 216 29 GLY HA3 H 3.718 0.04 2 273 216 29 GLY C C 174.276 0.40 1 274 216 29 GLY CA C 45.335 0.40 1 275 216 29 GLY N N 113.212 0.40 1 276 217 30 ILE H H 6.900 0.04 1 277 217 30 ILE HA H 4.222 0.04 1 278 217 30 ILE HB H 1.663 0.04 1 279 217 30 ILE HG12 H 1.651 0.04 2 280 217 30 ILE HG13 H 1.322 0.04 2 281 217 30 ILE HG2 H 0.768 0.04 1 282 217 30 ILE HD1 H 0.743 0.04 1 283 217 30 ILE C C 173.173 0.40 1 284 217 30 ILE CA C 61.366 0.40 1 285 217 30 ILE CB C 38.321 0.40 1 286 217 30 ILE CG1 C 29.568 0.40 1 287 217 30 ILE CG2 C 16.772 0.40 1 288 217 30 ILE CD1 C 14.653 0.40 1 289 217 30 ILE N N 122.653 0.40 1 290 218 31 THR H H 7.710 0.04 1 291 218 31 THR HA H 4.691 0.04 1 292 218 31 THR HB H 4.635 0.04 1 293 218 31 THR HG2 H 1.289 0.04 1 294 218 31 THR C C 175.504 0.40 1 295 218 31 THR CA C 59.485 0.40 1 296 218 31 THR CB C 72.819 0.40 1 297 218 31 THR CG2 C 21.458 0.40 1 298 218 31 THR N N 116.592 0.40 1 299 219 32 GLU H H 9.154 0.04 1 300 219 32 GLU HA H 3.675 0.04 1 301 219 32 GLU HB2 H 2.085 0.04 2 302 219 32 GLU HB3 H 1.962 0.04 2 303 219 32 GLU HG2 H 2.229 0.04 2 304 219 32 GLU HG3 H 2.193 0.04 2 305 219 32 GLU C C 178.123 0.40 1 306 219 32 GLU CA C 60.385 0.40 1 307 219 32 GLU CB C 29.263 0.40 1 308 219 32 GLU CG C 36.964 0.40 1 309 219 32 GLU N N 123.120 0.40 1 310 220 33 ASP H H 8.307 0.04 1 311 220 33 ASP HA H 4.286 0.04 1 312 220 33 ASP HB2 H 2.522 0.04 2 313 220 33 ASP HB3 H 2.629 0.04 2 314 220 33 ASP C C 178.281 0.40 1 315 220 33 ASP CA C 57.487 0.40 1 316 220 33 ASP CB C 40.249 0.40 1 317 220 33 ASP N N 118.758 0.40 1 318 221 34 GLU H H 7.574 0.04 1 319 221 34 GLU HA H 4.041 0.04 1 320 221 34 GLU HB2 H 2.207 0.04 1 321 221 34 GLU HB3 H 1.918 0.04 1 322 221 34 GLU HG2 H 2.206 0.04 2 323 221 34 GLU HG3 H 2.309 0.04 2 324 221 34 GLU C C 179.055 0.40 1 325 221 34 GLU CA C 59.180 0.40 1 326 221 34 GLU CB C 29.761 0.40 1 327 221 34 GLU CG C 37.106 0.40 1 328 221 34 GLU N N 122.075 0.40 1 329 222 35 ILE H H 7.521 0.04 1 330 222 35 ILE HA H 3.760 0.04 1 331 222 35 ILE HB H 1.911 0.04 1 332 222 35 ILE HG12 H 1.885 0.04 2 333 222 35 ILE HG13 H 0.953 0.04 2 334 222 35 ILE HG2 H 0.736 0.04 1 335 222 35 ILE HD1 H 0.639 0.04 1 336 222 35 ILE C C 177.572 0.40 1 337 222 35 ILE CA C 65.719 0.40 1 338 222 35 ILE CB C 37.733 0.40 1 339 222 35 ILE CG1 C 29.199 0.40 1 340 222 35 ILE CG2 C 18.165 0.40 1 341 222 35 ILE CD1 C 13.362 0.40 1 342 222 35 ILE N N 120.513 0.40 1 343 223 36 ARG H H 8.766 0.04 1 344 223 36 ARG HA H 3.591 0.04 1 345 223 36 ARG HB2 H 1.632 0.04 2 346 223 36 ARG HB3 H 1.854 0.04 2 347 223 36 ARG HG2 H 1.630 0.04 2 348 223 36 ARG HG3 H 1.423 0.04 2 349 223 36 ARG HD2 H 3.135 0.04 2 350 223 36 ARG HD3 H 3.300 0.04 2 351 223 36 ARG C C 177.842 0.40 1 352 223 36 ARG CA C 61.291 0.40 1 353 223 36 ARG CB C 29.809 0.40 1 354 223 36 ARG CG C 29.776 0.40 1 355 223 36 ARG CD C 42.883 0.40 1 356 223 36 ARG N N 120.769 0.40 1 357 224 37 GLU H H 7.928 0.04 1 358 224 37 GLU HA H 3.972 0.04 1 359 224 37 GLU HB2 H 2.043 0.04 2 360 224 37 GLU HB3 H 2.154 0.04 2 361 224 37 GLU HG2 H 2.354 0.04 2 362 224 37 GLU HG3 H 2.300 0.04 2 363 224 37 GLU C C 177.992 0.40 1 364 224 37 GLU CA C 59.343 0.40 1 365 224 37 GLU CB C 29.448 0.40 1 366 224 37 GLU CG C 35.950 0.40 1 367 224 37 GLU N N 118.732 0.40 1 368 225 38 ASP H H 7.161 0.04 1 369 225 38 ASP HA H 4.771 0.04 1 370 225 38 ASP HB2 H 2.755 0.04 2 371 225 38 ASP HB3 H 2.636 0.04 2 372 225 38 ASP C C 176.391 0.40 1 373 225 38 ASP CA C 55.310 0.40 1 374 225 38 ASP CB C 41.285 0.40 1 375 225 38 ASP N N 116.637 0.40 1 376 226 39 LEU H H 8.071 0.04 1 377 226 39 LEU HA H 4.890 0.04 1 378 226 39 LEU HB2 H 1.737 0.04 2 379 226 39 LEU HB3 H 1.849 0.04 2 380 226 39 LEU HG H 1.734 0.04 1 381 226 39 LEU HD1 H 0.740 0.04 1 382 226 39 LEU HD2 H 0.676 0.04 1 383 226 39 LEU C C 177.163 0.40 1 384 226 39 LEU CA C 55.797 0.40 1 385 226 39 LEU CB C 41.601 0.40 1 386 226 39 LEU CG C 30.441 0.40 1 387 226 39 LEU CD1 C 24.969 0.40 1 388 226 39 LEU CD2 C 24.393 0.40 1 389 226 39 LEU N N 122.169 0.40 1 390 227 40 GLU H H 8.665 0.04 1 391 227 40 GLU HA H 4.586 0.04 1 392 227 40 GLU HB2 H 2.001 0.04 1 393 227 40 GLU HB3 H 2.193 0.04 1 394 227 40 GLU C C 175.941 0.40 1 395 227 40 GLU CA C 59.714 0.40 1 396 227 40 GLU CB C 28.195 0.40 1 397 227 40 GLU N N 123.339 0.40 1 398 228 41 PRO HA H 4.119 0.04 1 399 228 41 PRO HB2 H 0.825 0.04 2 400 228 41 PRO HB3 H 2.066 0.04 2 401 228 41 PRO HG2 H 1.807 0.04 2 402 228 41 PRO HG3 H 1.761 0.04 2 403 228 41 PRO HD2 H 3.581 0.04 2 404 228 41 PRO HD3 H 2.927 0.04 2 405 228 41 PRO C C 178.085 0.40 1 406 228 41 PRO CA C 65.547 0.40 1 407 228 41 PRO CB C 31.086 0.40 1 408 228 41 PRO CG C 28.477 0.40 1 409 228 41 PRO CD C 51.697 0.40 1 410 229 42 PHE H H 7.605 0.04 1 411 229 42 PHE HA H 4.247 0.04 1 412 229 42 PHE HB2 H 3.083 0.04 2 413 229 42 PHE HB3 H 3.198 0.04 2 414 229 42 PHE HD1 H 7.368 0.04 3 415 229 42 PHE HE1 H 7.068 0.04 3 416 229 42 PHE C C 175.500 0.40 1 417 229 42 PHE CA C 60.082 0.40 1 418 229 42 PHE CB C 38.066 0.40 1 419 229 42 PHE CD1 C 131.520 0.40 3 420 229 42 PHE N N 115.638 0.40 1 421 230 43 GLY H H 7.607 0.04 1 422 230 43 GLY HA2 H 4.405 0.04 2 423 230 43 GLY HA3 H 3.981 0.04 2 424 230 43 GLY C C 180.285 0.40 1 425 230 43 GLY CA C 44.980 0.40 1 426 230 43 GLY N N 109.255 0.40 1 427 231 44 PRO HA H 4.558 0.04 1 428 231 44 PRO HB2 H 2.324 0.04 2 429 231 44 PRO HB3 H 1.891 0.04 2 430 231 44 PRO HG2 H 2.070 0.04 2 431 231 44 PRO HG3 H 2.054 0.04 2 432 231 44 PRO HD2 H 3.706 0.04 2 433 231 44 PRO HD3 H 3.623 0.04 2 434 231 44 PRO C C 176.972 0.40 1 435 231 44 PRO CA C 63.190 0.40 1 436 231 44 PRO CB C 32.367 0.40 1 437 231 44 PRO CG C 27.491 0.40 1 438 231 44 PRO CD C 49.634 0.40 1 439 232 45 ILE H H 8.555 0.04 1 440 232 45 ILE HA H 4.382 0.04 1 441 232 45 ILE HB H 1.400 0.04 1 442 232 45 ILE HG12 H -0.019 0.04 2 443 232 45 ILE HG13 H 1.666 0.04 2 444 232 45 ILE HG2 H 0.429 0.04 1 445 232 45 ILE HD1 H 0.487 0.04 1 446 232 45 ILE C C 176.281 0.40 1 447 232 45 ILE CA C 60.336 0.40 1 448 232 45 ILE CB C 43.018 0.40 1 449 232 45 ILE CG1 C 26.958 0.40 1 450 232 45 ILE CG2 C 17.992 0.40 1 451 232 45 ILE CD1 C 15.053 0.40 1 452 232 45 ILE N N 123.976 0.40 1 453 233 46 ASP H H 9.014 0.04 1 454 233 46 ASP HA H 4.863 0.04 1 455 233 46 ASP HB2 H 2.587 0.04 1 456 233 46 ASP HB3 H 2.827 0.04 1 457 233 46 ASP C C 176.037 0.40 1 458 233 46 ASP CA C 53.700 0.40 1 459 233 46 ASP CB C 41.356 0.40 1 460 233 46 ASP N N 125.424 0.40 1 461 234 47 GLN H H 7.458 0.04 1 462 234 47 GLN HA H 4.555 0.04 1 463 234 47 GLN HB2 H 1.880 0.04 2 464 234 47 GLN HB3 H 1.938 0.04 2 465 234 47 GLN HG2 H 2.211 0.04 2 466 234 47 GLN HG3 H 2.138 0.04 2 467 234 47 GLN C C 173.468 0.40 1 468 234 47 GLN CA C 56.004 0.40 1 469 234 47 GLN CB C 32.753 0.40 1 470 234 47 GLN CG C 33.695 0.40 1 471 234 47 GLN N N 119.625 0.40 1 472 235 48 ILE H H 8.460 0.04 1 473 235 48 ILE HA H 4.736 0.04 1 474 235 48 ILE HB H 1.611 0.04 1 475 235 48 ILE HG12 H 0.863 0.04 2 476 235 48 ILE HG13 H 1.554 0.04 2 477 235 48 ILE HG2 H 0.723 0.04 1 478 235 48 ILE HD1 H 0.784 0.04 1 479 235 48 ILE C C 173.881 0.40 1 480 235 48 ILE CA C 60.775 0.40 1 481 235 48 ILE CB C 41.008 0.40 1 482 235 48 ILE CG1 C 28.334 0.40 1 483 235 48 ILE CG2 C 16.453 0.40 1 484 235 48 ILE CD1 C 14.539 0.40 1 485 235 48 ILE N N 125.209 0.40 1 486 236 49 LYS H H 8.923 0.04 1 487 236 49 LYS HA H 4.730 0.04 1 488 236 49 LYS HB2 H 1.846 0.04 2 489 236 49 LYS HB3 H 1.740 0.04 2 490 236 49 LYS HG2 H 1.388 0.04 2 491 236 49 LYS HG3 H 1.284 0.04 2 492 236 49 LYS HD2 H 1.690 0.04 2 493 236 49 LYS HD3 H 1.651 0.04 2 494 236 49 LYS HE2 H 2.873 0.04 2 495 236 49 LYS HE3 H 2.922 0.04 2 496 236 49 LYS C C 174.532 0.40 1 497 236 49 LYS CA C 54.565 0.40 1 498 236 49 LYS CB C 35.426 0.40 1 499 236 49 LYS CG C 24.771 0.40 1 500 236 49 LYS CD C 28.777 0.40 1 501 236 49 LYS CE C 42.126 0.40 1 502 236 49 LYS N N 129.982 0.40 1 503 237 50 ILE H H 9.036 0.04 1 504 237 50 ILE HA H 4.258 0.04 1 505 237 50 ILE HB H 1.745 0.04 1 506 237 50 ILE HG12 H 1.514 0.04 2 507 237 50 ILE HG13 H 0.571 0.04 2 508 237 50 ILE HG2 H 0.734 0.04 1 509 237 50 ILE HD1 H 0.699 0.04 1 510 237 50 ILE C C 175.906 0.40 1 511 237 50 ILE CA C 61.291 0.40 1 512 237 50 ILE CB C 39.134 0.40 1 513 237 50 ILE CG1 C 28.242 0.40 1 514 237 50 ILE CG2 C 17.013 0.40 1 515 237 50 ILE CD1 C 13.829 0.40 1 516 237 50 ILE N N 128.576 0.40 1 517 238 51 VAL H H 8.968 0.04 1 518 238 51 VAL HA H 4.437 0.04 1 519 238 51 VAL HB H 2.201 0.04 1 520 238 51 VAL HG1 H 0.985 0.04 1 521 238 51 VAL HG2 H 0.939 0.04 1 522 238 51 VAL C C 176.875 0.40 1 523 238 51 VAL CA C 61.076 0.40 1 524 238 51 VAL CB C 29.974 0.40 1 525 238 51 VAL CG1 C 21.879 0.40 1 526 238 51 VAL CG2 C 19.806 0.40 1 527 238 51 VAL N N 132.590 0.40 1 528 239 52 THR H H 8.379 0.04 1 529 239 52 THR HA H 3.864 0.04 1 530 239 52 THR HB H 4.144 0.04 1 531 239 52 THR HG2 H 1.304 0.04 1 532 239 52 THR C C 177.454 0.40 1 533 239 52 THR CA C 66.400 0.40 1 534 239 52 THR CB C 68.539 0.40 1 535 239 52 THR CG2 C 21.782 0.40 1 536 239 52 THR N N 124.091 0.40 1 537 240 53 GLU H H 9.686 0.04 1 538 240 53 GLU HA H 4.176 0.04 1 539 240 53 GLU HB2 H 2.034 0.04 2 540 240 53 GLU HB3 H 2.096 0.04 2 541 240 53 GLU HG2 H 2.288 0.04 2 542 240 53 GLU HG3 H 2.376 0.04 2 543 240 53 GLU C C 176.707 0.40 1 544 240 53 GLU CA C 59.046 0.40 1 545 240 53 GLU CB C 28.740 0.40 1 546 240 53 GLU CG C 36.327 0.40 1 547 240 53 GLU N N 121.576 0.40 1 548 241 54 ARG H H 7.202 0.04 1 549 241 54 ARG HA H 4.638 0.04 1 550 241 54 ARG HB2 H 1.437 0.04 1 551 241 54 ARG HB3 H 2.237 0.04 1 552 241 54 ARG HG2 H 1.682 0.04 2 553 241 54 ARG HG3 H 1.617 0.04 2 554 241 54 ARG HD2 H 3.211 0.04 2 555 241 54 ARG HD3 H 3.248 0.04 2 556 241 54 ARG C C 174.763 0.40 1 557 241 54 ARG CA C 54.593 0.40 1 558 241 54 ARG CB C 32.739 0.40 1 559 241 54 ARG CG C 27.088 0.40 1 560 241 54 ARG CD C 43.238 0.40 1 561 241 54 ARG N N 116.063 0.40 1 562 242 55 ASN H H 7.872 0.04 1 563 242 55 ASN HA H 4.312 0.04 1 564 242 55 ASN HB2 H 2.913 0.04 1 565 242 55 ASN HB3 H 3.350 0.04 1 566 242 55 ASN C C 173.464 0.40 1 567 242 55 ASN CA C 55.080 0.40 1 568 242 55 ASN CB C 36.359 0.40 1 569 242 55 ASN N N 117.756 0.40 1 570 243 56 ILE H H 7.116 0.04 1 571 243 56 ILE HA H 5.298 0.04 1 572 243 56 ILE HB H 1.587 0.04 1 573 243 56 ILE HG12 H 0.972 0.04 2 574 243 56 ILE HG13 H 1.298 0.04 2 575 243 56 ILE HG2 H 0.932 0.04 1 576 243 56 ILE HD1 H 0.889 0.04 1 577 243 56 ILE C C 173.661 0.40 1 578 243 56 ILE CA C 58.392 0.40 1 579 243 56 ILE CB C 42.863 0.40 1 580 243 56 ILE CG1 C 26.462 0.40 1 581 243 56 ILE CG2 C 18.050 0.40 1 582 243 56 ILE CD1 C 14.251 0.40 1 583 243 56 ILE N N 111.255 0.40 1 584 244 57 ALA H H 8.913 0.04 1 585 244 57 ALA HA H 5.126 0.04 1 586 244 57 ALA HB H 1.080 0.04 1 587 244 57 ALA C C 173.882 0.40 1 588 244 57 ALA CA C 50.231 0.40 1 589 244 57 ALA CB C 23.776 0.40 1 590 244 57 ALA N N 123.052 0.40 1 591 245 58 PHE H H 8.867 0.04 1 592 245 58 PHE HA H 5.254 0.04 1 593 245 58 PHE HB2 H 2.758 0.04 1 594 245 58 PHE HB3 H 3.008 0.04 1 595 245 58 PHE HD1 H 6.969 0.04 3 596 245 58 PHE HE1 H 7.216 0.04 3 597 245 58 PHE C C 175.127 0.40 1 598 245 58 PHE CA C 55.844 0.40 1 599 245 58 PHE CB C 41.693 0.40 1 600 245 58 PHE CD1 C 131.733 0.40 3 601 245 58 PHE N N 119.325 0.40 1 602 246 59 VAL H H 9.188 0.04 1 603 246 59 VAL HA H 4.495 0.04 1 604 246 59 VAL HB H 1.747 0.04 1 605 246 59 VAL HG1 H 0.342 0.04 1 606 246 59 VAL HG2 H 0.639 0.04 1 607 246 59 VAL C C 173.135 0.40 1 608 246 59 VAL CA C 60.430 0.40 1 609 246 59 VAL CB C 34.586 0.40 1 610 246 59 VAL CG1 C 21.637 0.40 1 611 246 59 VAL CG2 C 21.208 0.40 1 612 246 59 VAL N N 124.976 0.40 1 613 247 60 HIS H H 8.503 0.04 1 614 247 60 HIS HA H 5.289 0.04 1 615 247 60 HIS HB2 H 3.020 0.04 2 616 247 60 HIS HB3 H 3.217 0.04 2 617 247 60 HIS HD2 H 7.234 0.04 1 618 247 60 HIS C C 173.752 0.40 1 619 247 60 HIS CA C 55.312 0.40 1 620 247 60 HIS CB C 30.276 0.40 1 621 247 60 HIS CD2 C 119.662 0.40 1 622 247 60 HIS N N 126.789 0.40 1 623 248 61 PHE H H 8.325 0.04 1 624 248 61 PHE HA H 4.628 0.04 1 625 248 61 PHE HB2 H 2.632 0.04 2 626 248 61 PHE HB3 H 3.275 0.04 2 627 248 61 PHE HD1 H 7.105 0.04 3 628 248 61 PHE C C 175.204 0.40 1 629 248 61 PHE CA C 58.797 0.40 1 630 248 61 PHE CB C 40.981 0.40 1 631 248 61 PHE CD1 C 132.582 0.40 3 632 248 61 PHE N N 126.912 0.40 1 633 249 62 LEU H H 7.910 0.04 1 634 249 62 LEU HA H 4.037 0.04 1 635 249 62 LEU HB2 H 1.559 0.04 2 636 249 62 LEU HB3 H 1.635 0.04 2 637 249 62 LEU HG H 1.525 0.04 1 638 249 62 LEU HD1 H 0.905 0.04 1 639 249 62 LEU HD2 H 0.880 0.04 1 640 249 62 LEU C C 177.977 0.40 1 641 249 62 LEU CA C 57.211 0.40 1 642 249 62 LEU CB C 42.162 0.40 1 643 249 62 LEU CG C 27.857 0.40 1 644 249 62 LEU CD1 C 24.726 0.40 1 645 249 62 LEU CD2 C 23.786 0.40 1 646 249 62 LEU N N 118.777 0.40 1 647 250 63 ASN H H 8.515 0.04 1 648 250 63 ASN HA H 5.086 0.04 1 649 250 63 ASN HB2 H 2.727 0.04 1 650 250 63 ASN HB3 H 2.932 0.04 1 651 250 63 ASN C C 175.019 0.40 1 652 250 63 ASN CA C 51.571 0.40 1 653 250 63 ASN CB C 41.530 0.40 1 654 250 63 ASN N N 117.262 0.40 1 655 251 64 ILE H H 8.820 0.04 1 656 251 64 ILE HA H 3.653 0.04 1 657 251 64 ILE HB H 1.676 0.04 1 658 251 64 ILE HG12 H 1.260 0.04 2 659 251 64 ILE HG13 H 1.104 0.04 2 660 251 64 ILE HG2 H 0.873 0.04 1 661 251 64 ILE HD1 H 0.702 0.04 1 662 251 64 ILE C C 175.281 0.40 1 663 251 64 ILE CA C 64.058 0.40 1 664 251 64 ILE CB C 38.402 0.40 1 665 251 64 ILE CG1 C 29.263 0.40 1 666 251 64 ILE CG2 C 16.844 0.40 1 667 251 64 ILE CD1 C 13.829 0.40 1 668 251 64 ILE N N 126.868 0.40 1 669 252 65 ALA H H 8.319 0.04 1 670 252 65 ALA HA H 3.880 0.04 1 671 252 65 ALA HB H 1.353 0.04 1 672 252 65 ALA C C 179.971 0.40 1 673 252 65 ALA CA C 55.070 0.40 1 674 252 65 ALA CB C 18.037 0.40 1 675 252 65 ALA N N 123.811 0.40 1 676 253 66 ALA H H 6.961 0.04 1 677 253 66 ALA HA H 3.784 0.04 1 678 253 66 ALA HB H 1.190 0.04 1 679 253 66 ALA C C 176.828 0.40 1 680 253 66 ALA CA C 54.442 0.40 1 681 253 66 ALA CB C 20.398 0.40 1 682 253 66 ALA N N 121.305 0.40 1 683 254 67 ALA H H 6.267 0.04 1 684 254 67 ALA HA H 3.053 0.04 1 685 254 67 ALA HB H 1.447 0.04 1 686 254 67 ALA C C 178.284 0.40 1 687 254 67 ALA CA C 54.686 0.40 1 688 254 67 ALA CB C 19.610 0.40 1 689 254 67 ALA N N 120.932 0.40 1 690 255 68 ILE H H 7.770 0.04 1 691 255 68 ILE HA H 4.083 0.04 1 692 255 68 ILE HB H 1.522 0.04 1 693 255 68 ILE HG12 H 1.046 0.04 2 694 255 68 ILE HG13 H 1.601 0.04 2 695 255 68 ILE HG2 H 0.761 0.04 1 696 255 68 ILE HD1 H 0.636 0.04 1 697 255 68 ILE C C 178.224 0.40 1 698 255 68 ILE CA C 63.717 0.40 1 699 255 68 ILE CB C 38.676 0.40 1 700 255 68 ILE CG1 C 28.262 0.40 1 701 255 68 ILE CG2 C 16.545 0.40 1 702 255 68 ILE CD1 C 13.858 0.40 1 703 255 68 ILE N N 117.320 0.40 1 704 256 69 LYS H H 7.228 0.04 1 705 256 69 LYS HA H 3.807 0.04 1 706 256 69 LYS HB2 H 1.739 0.04 2 707 256 69 LYS HB3 H 1.769 0.04 2 708 256 69 LYS HG2 H 1.449 0.04 2 709 256 69 LYS HG3 H 1.549 0.04 2 710 256 69 LYS HD2 H 1.777 0.04 2 711 256 69 LYS HD3 H 1.812 0.04 2 712 256 69 LYS HE2 H 3.012 0.04 2 713 256 69 LYS HE3 H 3.067 0.04 2 714 256 69 LYS C C 177.374 0.40 1 715 256 69 LYS CA C 59.468 0.40 1 716 256 69 LYS CB C 32.715 0.40 1 717 256 69 LYS CG C 25.253 0.40 1 718 256 69 LYS CD C 29.522 0.40 1 719 256 69 LYS CE C 41.817 0.40 1 720 256 69 LYS N N 120.639 0.40 1 721 257 70 ALA H H 7.710 0.04 1 722 257 70 ALA HA H 2.141 0.04 1 723 257 70 ALA HB H 0.779 0.04 1 724 257 70 ALA C C 179.004 0.40 1 725 257 70 ALA CA C 54.559 0.40 1 726 257 70 ALA CB C 18.293 0.40 1 727 257 70 ALA N N 122.475 0.40 1 728 258 71 VAL H H 7.779 0.04 1 729 258 71 VAL HA H 3.118 0.04 1 730 258 71 VAL HB H 1.864 0.04 1 731 258 71 VAL HG1 H 0.510 0.04 1 732 258 71 VAL HG2 H 0.398 0.04 1 733 258 71 VAL C C 177.221 0.40 1 734 258 71 VAL CA C 66.195 0.40 1 735 258 71 VAL CB C 31.013 0.40 1 736 258 71 VAL CG1 C 21.075 0.40 1 737 258 71 VAL CG2 C 24.121 0.40 1 738 258 71 VAL N N 118.211 0.40 1 739 259 72 GLN H H 7.709 0.04 1 740 259 72 GLN HA H 4.016 0.04 1 741 259 72 GLN HB2 H 2.160 0.04 1 742 259 72 GLN HB3 H 1.987 0.04 1 743 259 72 GLN HG2 H 2.324 0.04 2 744 259 72 GLN HG3 H 2.601 0.04 2 745 259 72 GLN C C 178.642 0.40 1 746 259 72 GLN CA C 58.253 0.40 1 747 259 72 GLN CB C 29.148 0.40 1 748 259 72 GLN CG C 34.377 0.40 1 749 259 72 GLN N N 116.406 0.40 1 750 260 73 GLU H H 8.486 0.04 1 751 260 73 GLU HA H 4.421 0.04 1 752 260 73 GLU HB2 H 2.040 0.04 2 753 260 73 GLU HB3 H 2.160 0.04 2 754 260 73 GLU HG2 H 2.500 0.04 2 755 260 73 GLU HG3 H 2.171 0.04 2 756 260 73 GLU C C 179.231 0.40 1 757 260 73 GLU CA C 57.875 0.40 1 758 260 73 GLU CB C 30.977 0.40 1 759 260 73 GLU CG C 36.728 0.40 1 760 260 73 GLU N N 117.360 0.40 1 761 261 74 LEU H H 8.890 0.04 1 762 261 74 LEU HA H 4.251 0.04 1 763 261 74 LEU HB2 H 1.427 0.04 2 764 261 74 LEU HB3 H 1.241 0.04 2 765 261 74 LEU HG H 1.154 0.04 1 766 261 74 LEU HD1 H 0.199 0.04 1 767 261 74 LEU HD2 H -0.100 0.04 1 768 261 74 LEU C C 175.322 0.40 1 769 261 74 LEU CA C 59.708 0.40 1 770 261 74 LEU CB C 39.910 0.40 1 771 261 74 LEU CG C 26.639 0.40 1 772 261 74 LEU CD1 C 23.330 0.40 1 773 261 74 LEU CD2 C 24.178 0.40 1 774 261 74 LEU N N 127.428 0.40 1 775 262 75 PRO HA H 4.199 0.04 1 776 262 75 PRO HB2 H 2.525 0.04 2 777 262 75 PRO HB3 H 1.587 0.04 2 778 262 75 PRO HG2 H 2.096 0.04 2 779 262 75 PRO HG3 H 1.851 0.04 2 780 262 75 PRO HD2 H 3.478 0.04 2 781 262 75 PRO HD3 H 3.020 0.04 2 782 262 75 PRO C C 176.583 0.40 1 783 262 75 PRO CA C 65.510 0.40 1 784 262 75 PRO CB C 31.351 0.40 1 785 262 75 PRO CG C 28.510 0.40 1 786 262 75 PRO CD C 51.890 0.40 1 787 263 76 LEU H H 7.320 0.04 1 788 263 76 LEU HA H 4.213 0.04 1 789 263 76 LEU HB2 H 1.907 0.04 1 790 263 76 LEU HB3 H 1.697 0.04 1 791 263 76 LEU HG H 1.675 0.04 1 792 263 76 LEU HD1 H 0.987 0.04 1 793 263 76 LEU HD2 H 0.865 0.04 1 794 263 76 LEU C C 178.006 0.40 1 795 263 76 LEU CA C 54.773 0.40 1 796 263 76 LEU CB C 41.182 0.40 1 797 263 76 LEU CG C 27.326 0.40 1 798 263 76 LEU CD1 C 25.100 0.40 1 799 263 76 LEU CD2 C 22.250 0.40 1 800 263 76 LEU N N 115.917 0.40 1 801 264 77 ASN H H 8.290 0.04 1 802 264 77 ASN HA H 4.994 0.04 1 803 264 77 ASN HB2 H 3.517 0.04 1 804 264 77 ASN HB3 H 2.982 0.04 1 805 264 77 ASN C C 175.427 0.40 1 806 264 77 ASN CA C 50.743 0.40 1 807 264 77 ASN CB C 39.639 0.40 1 808 264 77 ASN N N 125.063 0.40 1 809 265 78 PRO HA H 4.402 0.04 1 810 265 78 PRO HB2 H 2.443 0.04 2 811 265 78 PRO HB3 H 2.008 0.04 2 812 265 78 PRO HG2 H 2.107 0.04 2 813 265 78 PRO HG3 H 2.197 0.04 2 814 265 78 PRO HD2 H 3.872 0.04 2 815 265 78 PRO HD3 H 4.141 0.04 2 816 265 78 PRO C C 178.698 0.40 1 817 265 78 PRO CA C 65.229 0.40 1 818 265 78 PRO CB C 32.265 0.40 1 819 265 78 PRO CG C 26.817 0.40 1 820 265 78 PRO CD C 51.031 0.40 1 821 266 79 LYS H H 8.226 0.04 1 822 266 79 LYS HA H 4.017 0.04 1 823 266 79 LYS HB2 H 1.609 0.04 1 824 266 79 LYS HB3 H 1.776 0.04 1 825 266 79 LYS HG2 H 1.412 0.04 2 826 266 79 LYS HG3 H 1.047 0.04 2 827 266 79 LYS HD2 H 1.710 0.04 2 828 266 79 LYS HD3 H 1.671 0.04 2 829 266 79 LYS HE2 H 2.964 0.04 2 830 266 79 LYS HE3 H 2.902 0.04 2 831 266 79 LYS C C 177.876 0.40 1 832 266 79 LYS CA C 58.560 0.40 1 833 266 79 LYS CB C 32.873 0.40 1 834 266 79 LYS CG C 24.969 0.40 1 835 266 79 LYS CD C 29.438 0.40 1 836 266 79 LYS CE C 41.820 0.40 1 837 266 79 LYS N N 118.810 0.40 1 838 267 80 TRP H H 8.275 0.04 1 839 267 80 TRP HA H 3.993 0.04 1 840 267 80 TRP HB2 H 3.221 0.04 1 841 267 80 TRP HB3 H 3.459 0.04 1 842 267 80 TRP HD1 H 6.881 0.04 1 843 267 80 TRP HE1 H 11.401 0.04 1 844 267 80 TRP C C 177.042 0.40 1 845 267 80 TRP CA C 58.185 0.40 1 846 267 80 TRP CB C 29.693 0.40 1 847 267 80 TRP CD1 C 126.783 0.40 1 848 267 80 TRP N N 119.357 0.40 1 849 267 80 TRP NE1 N 134.197 0.40 1 850 268 81 SER H H 7.566 0.04 1 851 268 81 SER HA H 4.340 0.04 1 852 268 81 SER HB2 H 3.968 0.04 2 853 268 81 SER HB3 H 4.016 0.04 2 854 268 81 SER C C 175.649 0.40 1 855 268 81 SER CA C 61.678 0.40 1 856 268 81 SER CB C 63.503 0.40 1 857 268 81 SER N N 118.043 0.40 1 858 269 82 LYS H H 8.319 0.04 1 859 269 82 LYS HA H 4.576 0.04 1 860 269 82 LYS HB2 H 1.638 0.04 1 861 269 82 LYS HB3 H 2.070 0.04 1 862 269 82 LYS HG2 H 1.371 0.04 2 863 269 82 LYS HG3 H 1.451 0.04 2 864 269 82 LYS HD2 H 1.606 0.04 2 865 269 82 LYS HD3 H 1.670 0.04 2 866 269 82 LYS HE2 H 3.003 0.04 2 867 269 82 LYS HE3 H 2.942 0.04 2 868 269 82 LYS C C 176.805 0.40 1 869 269 82 LYS CA C 55.678 0.40 1 870 269 82 LYS CB C 31.657 0.40 1 871 269 82 LYS CG C 24.815 0.40 1 872 269 82 LYS CD C 28.538 0.40 1 873 269 82 LYS CE C 42.173 0.40 1 874 269 82 LYS N N 120.133 0.40 1 875 270 83 ARG H H 7.638 0.04 1 876 270 83 ARG HA H 4.569 0.04 1 877 270 83 ARG HB2 H 1.940 0.04 1 878 270 83 ARG HB3 H 2.230 0.04 1 879 270 83 ARG HG2 H 1.621 0.04 2 880 270 83 ARG HG3 H 1.541 0.04 2 881 270 83 ARG HD2 H 2.321 0.04 2 882 270 83 ARG HD3 H 2.152 0.04 2 883 270 83 ARG C C 174.209 0.40 1 884 270 83 ARG CA C 55.472 0.40 1 885 270 83 ARG CB C 31.129 0.40 1 886 270 83 ARG CG C 27.259 0.40 1 887 270 83 ARG CD C 44.337 0.40 1 888 270 83 ARG N N 122.114 0.40 1 889 271 84 ARG H H 7.782 0.04 1 890 271 84 ARG HA H 4.707 0.04 1 891 271 84 ARG HB2 H 1.563 0.04 1 892 271 84 ARG HB3 H 1.771 0.04 1 893 271 84 ARG HG2 H 1.636 0.04 2 894 271 84 ARG HG3 H 1.684 0.04 2 895 271 84 ARG HD2 H 3.253 0.04 2 896 271 84 ARG HD3 H 3.289 0.04 2 897 271 84 ARG C C 174.661 0.40 1 898 271 84 ARG CA C 55.000 0.40 1 899 271 84 ARG CB C 32.482 0.40 1 900 271 84 ARG CG C 26.745 0.40 1 901 271 84 ARG CD C 43.182 0.40 1 902 271 84 ARG N N 121.226 0.40 1 903 272 85 ILE H H 8.306 0.04 1 904 272 85 ILE HA H 5.162 0.04 1 905 272 85 ILE HB H 1.709 0.04 1 906 272 85 ILE HG12 H 0.929 0.04 2 907 272 85 ILE HG13 H 1.553 0.04 2 908 272 85 ILE HG2 H 0.709 0.04 1 909 272 85 ILE HD1 H 0.777 0.04 1 910 272 85 ILE C C 174.194 0.40 1 911 272 85 ILE CA C 60.136 0.40 1 912 272 85 ILE CB C 40.954 0.40 1 913 272 85 ILE CG1 C 27.555 0.40 1 914 272 85 ILE CG2 C 18.009 0.40 1 915 272 85 ILE CD1 C 15.736 0.40 1 916 272 85 ILE N N 125.336 0.40 1 917 273 86 TYR H H 8.773 0.04 1 918 273 86 TYR HA H 4.760 0.04 1 919 273 86 TYR HB2 H 2.951 0.04 1 920 273 86 TYR HB3 H 3.256 0.04 1 921 273 86 TYR HD1 H 7.066 0.04 3 922 273 86 TYR HE1 H 6.621 0.04 3 923 273 86 TYR C C 174.047 0.40 1 924 273 86 TYR CA C 55.909 0.40 1 925 273 86 TYR CB C 40.661 0.40 1 926 273 86 TYR CD1 C 134.013 0.40 3 927 273 86 TYR CE1 C 117.750 0.40 3 928 273 86 TYR N N 124.935 0.40 1 929 274 87 TYR H H 8.004 0.04 1 930 274 87 TYR HA H 4.903 0.04 1 931 274 87 TYR HB2 H 2.831 0.04 1 932 274 87 TYR HB3 H 3.319 0.04 1 933 274 87 TYR HD1 H 7.191 0.04 3 934 274 87 TYR HE1 H 6.679 0.04 3 935 274 87 TYR C C 177.147 0.40 1 936 274 87 TYR CA C 58.738 0.40 1 937 274 87 TYR CB C 39.504 0.40 1 938 274 87 TYR CD1 C 133.290 0.40 3 939 274 87 TYR CE1 C 118.440 0.40 3 940 274 87 TYR N N 121.064 0.40 1 941 275 88 GLY H H 8.733 0.04 1 942 275 88 GLY HA2 H 4.171 0.04 2 943 275 88 GLY HA3 H 3.691 0.04 2 944 275 88 GLY C C 172.484 0.40 1 945 275 88 GLY CA C 45.823 0.40 1 946 275 88 GLY N N 112.038 0.40 1 947 276 89 ARG H H 7.962 0.04 1 948 276 89 ARG HA H 4.429 0.04 1 949 276 89 ARG HB2 H 1.706 0.04 2 950 276 89 ARG HB3 H 1.828 0.04 2 951 276 89 ARG HG2 H 1.575 0.04 2 952 276 89 ARG HG3 H 1.562 0.04 2 953 276 89 ARG HD2 H 3.110 0.04 2 954 276 89 ARG HD3 H 3.150 0.04 2 955 276 89 ARG C C 175.447 0.40 1 956 276 89 ARG CA C 55.745 0.40 1 957 276 89 ARG CB C 31.729 0.40 1 958 276 89 ARG CG C 27.272 0.40 1 959 276 89 ARG CD C 43.297 0.40 1 960 276 89 ARG N N 120.737 0.40 1 961 277 90 ASP H H 8.213 0.04 1 962 277 90 ASP HA H 4.380 0.04 1 963 277 90 ASP HB2 H 2.558 0.04 1 964 277 90 ASP HB3 H 2.386 0.04 1 965 277 90 ASP C C 176.320 0.40 1 966 277 90 ASP CA C 54.335 0.40 1 967 277 90 ASP CB C 41.298 0.40 1 968 277 90 ASP N N 122.491 0.40 1 969 278 91 ARG H H 8.191 0.04 1 970 278 91 ARG HA H 4.125 0.04 1 971 278 91 ARG HB2 H 1.762 0.04 2 972 278 91 ARG HB3 H 1.639 0.04 2 973 278 91 ARG HG2 H 1.490 0.04 2 974 278 91 ARG HG3 H 1.497 0.04 2 975 278 91 ARG HD2 H 3.064 0.04 2 976 278 91 ARG HD3 H 3.025 0.04 2 977 278 91 ARG C C 176.276 0.40 1 978 278 91 ARG CA C 56.582 0.40 1 979 278 91 ARG CB C 30.213 0.40 1 980 278 91 ARG CG C 27.487 0.40 1 981 278 91 ARG CD C 43.105 0.40 1 982 278 91 ARG N N 123.470 0.40 1 983 279 92 CYS H H 8.249 0.04 1 984 279 92 CYS HA H 4.302 0.04 1 985 279 92 CYS HB2 H 2.847 0.04 2 986 279 92 CYS HB3 H 2.768 0.04 2 987 279 92 CYS C C 174.327 0.40 1 988 279 92 CYS CA C 58.998 0.40 1 989 279 92 CYS CB C 27.662 0.40 1 990 279 92 CYS N N 120.799 0.40 1 991 280 93 ALA H H 8.064 0.04 1 992 280 93 ALA HA H 4.205 0.04 1 993 280 93 ALA HB H 1.296 0.04 1 994 280 93 ALA C C 177.378 0.40 1 995 280 93 ALA CA C 52.472 0.40 1 996 280 93 ALA CB C 19.154 0.40 1 997 280 93 ALA N N 127.213 0.40 1 998 281 94 VAL H H 7.783 0.04 1 999 281 94 VAL HA H 4.034 0.04 1 1000 281 94 VAL HB H 2.037 0.04 1 1001 281 94 VAL HG1 H 0.854 0.04 1 1002 281 94 VAL HG2 H 0.892 0.04 1 1003 281 94 VAL C C 176.358 0.40 1 1004 281 94 VAL CA C 62.379 0.40 1 1005 281 94 VAL CB C 32.471 0.40 1 1006 281 94 VAL CG1 C 21.022 0.40 1 1007 281 94 VAL CG2 C 20.470 0.40 1 1008 281 94 VAL N N 119.707 0.40 1 1009 282 95 GLY H H 8.267 0.04 1 1010 282 95 GLY HA2 H 3.874 0.04 2 1011 282 95 GLY HA3 H 3.953 0.04 2 1012 282 95 GLY C C 173.808 0.40 1 1013 282 95 GLY CA C 45.143 0.40 1 1014 282 95 GLY N N 113.398 0.40 1 1015 283 96 LEU H H 7.892 0.04 1 1016 283 96 LEU HA H 4.307 0.04 1 1017 283 96 LEU HB2 H 1.539 0.04 2 1018 283 96 LEU HB3 H 1.586 0.04 2 1019 283 96 LEU HG H 1.503 0.04 1 1020 283 96 LEU HD1 H 0.858 0.04 2 1021 283 96 LEU HD2 H 0.811 0.04 2 1022 283 96 LEU C C 176.214 0.40 1 1023 283 96 LEU CA C 55.182 0.40 1 1024 283 96 LEU CB C 42.252 0.40 1 1025 283 96 LEU CG C 26.774 0.40 1 1026 283 96 LEU CD1 C 24.930 0.40 2 1027 283 96 LEU CD2 C 23.278 0.40 2 1028 283 96 LEU N N 123.636 0.40 1 1029 284 97 LYS H H 7.772 0.04 1 1030 284 97 LYS C C 175.644 0.40 1 1031 284 97 LYS CA C 57.762 0.40 1 1032 284 97 LYS CB C 33.758 0.40 1 1033 284 97 LYS N N 128.324 0.40 1 stop_ save_