data_19558 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and stereospecific Methyl Ile(d1), Leu and Val chemical shift assignment of Crc ; _BMRB_accession_number 19558 _BMRB_flat_file_name bmr19558.str _Entry_type original _Submission_date 2013-10-15 _Accession_date 2013-10-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Crc is a global regulator in Pseudomonads. The gene was identified in Lz4W strain of Antarctic bacteria.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharma Rakhi . . 2 Ray 'Malay Kumar' K. . 3 Deshmukh Mandar V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 318 "13C chemical shifts" 825 "15N chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and stereospecific (13)C methyl Ile (1), Leu and Val side-chain chemical shift assignments of Crc.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24496608 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharma Rakhi . . 2 Sahu Bhubanananda . . 3 Ray Malay K. . 4 Deshmukh Mandar V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . loop_ _Keyword 'Carbon catabolite repression' CCR Crc Pseudomonads 'RNA binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Crc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Crc_1 $Crc Crc_2 $Crc Crc_3 $Crc Crc_4 $Crc stop_ _System_molecular_weight 30721.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Crc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Crc _Molecular_mass 30721.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'Crc is one of the global regulators in Pseudomonads. It is proposed to regulate genes by binding target RNA and prevent the formation of a translation initiation complex' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 265 _Mol_residue_sequence ; MRIISVNVNGIQTAVERGLL SWLQAQNADVICLQDTRASA FELDDPAYQLDGYFLYACEA EVPAQGGVALYSRLQPKAVI TGLGFETADRYGRYLQADFD KVSIATLLLPSGQNGDEDLN QKFKLMDDFARYLDKQRRKR REYIYCGSLYVAQQKLDIKN WRDSQQSPGFLAPERAWMDE IVGNMGYVDALREVSREGDQ YSWWPDNEQAEMLNLGWRFD YQLLTPGLRRFVRSARLPRQ PRFSQHAPLIVDYDWTLTIH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 ILE 4 4 ILE 5 5 SER 6 6 VAL 7 7 ASN 8 8 VAL 9 9 ASN 10 10 GLY 11 11 ILE 12 12 GLN 13 13 THR 14 14 ALA 15 15 VAL 16 16 GLU 17 17 ARG 18 18 GLY 19 19 LEU 20 20 LEU 21 21 SER 22 22 TRP 23 23 LEU 24 24 GLN 25 25 ALA 26 26 GLN 27 27 ASN 28 28 ALA 29 29 ASP 30 30 VAL 31 31 ILE 32 32 CYS 33 33 LEU 34 34 GLN 35 35 ASP 36 36 THR 37 37 ARG 38 38 ALA 39 39 SER 40 40 ALA 41 41 PHE 42 42 GLU 43 43 LEU 44 44 ASP 45 45 ASP 46 46 PRO 47 47 ALA 48 48 TYR 49 49 GLN 50 50 LEU 51 51 ASP 52 52 GLY 53 53 TYR 54 54 PHE 55 55 LEU 56 56 TYR 57 57 ALA 58 58 CYS 59 59 GLU 60 60 ALA 61 61 GLU 62 62 VAL 63 63 PRO 64 64 ALA 65 65 GLN 66 66 GLY 67 67 GLY 68 68 VAL 69 69 ALA 70 70 LEU 71 71 TYR 72 72 SER 73 73 ARG 74 74 LEU 75 75 GLN 76 76 PRO 77 77 LYS 78 78 ALA 79 79 VAL 80 80 ILE 81 81 THR 82 82 GLY 83 83 LEU 84 84 GLY 85 85 PHE 86 86 GLU 87 87 THR 88 88 ALA 89 89 ASP 90 90 ARG 91 91 TYR 92 92 GLY 93 93 ARG 94 94 TYR 95 95 LEU 96 96 GLN 97 97 ALA 98 98 ASP 99 99 PHE 100 100 ASP 101 101 LYS 102 102 VAL 103 103 SER 104 104 ILE 105 105 ALA 106 106 THR 107 107 LEU 108 108 LEU 109 109 LEU 110 110 PRO 111 111 SER 112 112 GLY 113 113 GLN 114 114 ASN 115 115 GLY 116 116 ASP 117 117 GLU 118 118 ASP 119 119 LEU 120 120 ASN 121 121 GLN 122 122 LYS 123 123 PHE 124 124 LYS 125 125 LEU 126 126 MET 127 127 ASP 128 128 ASP 129 129 PHE 130 130 ALA 131 131 ARG 132 132 TYR 133 133 LEU 134 134 ASP 135 135 LYS 136 136 GLN 137 137 ARG 138 138 ARG 139 139 LYS 140 140 ARG 141 141 ARG 142 142 GLU 143 143 TYR 144 144 ILE 145 145 TYR 146 146 CYS 147 147 GLY 148 148 SER 149 149 LEU 150 150 TYR 151 151 VAL 152 152 ALA 153 153 GLN 154 154 GLN 155 155 LYS 156 156 LEU 157 157 ASP 158 158 ILE 159 159 LYS 160 160 ASN 161 161 TRP 162 162 ARG 163 163 ASP 164 164 SER 165 165 GLN 166 166 GLN 167 167 SER 168 168 PRO 169 169 GLY 170 170 PHE 171 171 LEU 172 172 ALA 173 173 PRO 174 174 GLU 175 175 ARG 176 176 ALA 177 177 TRP 178 178 MET 179 179 ASP 180 180 GLU 181 181 ILE 182 182 VAL 183 183 GLY 184 184 ASN 185 185 MET 186 186 GLY 187 187 TYR 188 188 VAL 189 189 ASP 190 190 ALA 191 191 LEU 192 192 ARG 193 193 GLU 194 194 VAL 195 195 SER 196 196 ARG 197 197 GLU 198 198 GLY 199 199 ASP 200 200 GLN 201 201 TYR 202 202 SER 203 203 TRP 204 204 TRP 205 205 PRO 206 206 ASP 207 207 ASN 208 208 GLU 209 209 GLN 210 210 ALA 211 211 GLU 212 212 MET 213 213 LEU 214 214 ASN 215 215 LEU 216 216 GLY 217 217 TRP 218 218 ARG 219 219 PHE 220 220 ASP 221 221 TYR 222 222 GLN 223 223 LEU 224 224 LEU 225 225 THR 226 226 PRO 227 227 GLY 228 228 LEU 229 229 ARG 230 230 ARG 231 231 PHE 232 232 VAL 233 233 ARG 234 234 SER 235 235 ALA 236 236 ARG 237 237 LEU 238 238 PRO 239 239 ARG 240 240 GLN 241 241 PRO 242 242 ARG 243 243 PHE 244 244 SER 245 245 GLN 246 246 HIS 247 247 ALA 248 248 PRO 249 249 LEU 250 250 ILE 251 251 VAL 252 252 ASP 253 253 TYR 254 254 ASP 255 255 TRP 256 256 THR 257 257 LEU 258 258 THR 259 259 ILE 260 260 HIS 261 261 HIS 262 262 HIS 263 263 HIS 264 264 HIS 265 265 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 DBJ BAO65357 "exodeoxyribonuclease III [Pseudomonas protegens Cab57]" 97.74 259 98.07 99.61 0.00e+00 DBJ BAP42285 "exodeoxyribonuclease III [Pseudomonas sp. StFLB209]" 97.36 259 96.90 98.84 0.00e+00 DBJ BAQ77708 "exodeoxyribonuclease III [Pseudomonas sp. Os17]" 97.74 259 98.07 99.61 0.00e+00 DBJ BAQ83908 "exodeoxyribonuclease III [Pseudomonas sp. St29]" 97.74 259 98.07 99.61 0.00e+00 EMBL CAY53517 "putative exodeoxyribonuclease III [Pseudomonas fluorescens SBW25]" 97.74 259 98.07 99.23 0.00e+00 EMBL CDF96299 "Exodeoxyribonuclease III [Pseudomonas sp. SHC52]" 97.74 259 97.68 98.84 0.00e+00 EMBL CEL32310 "Exodeoxyribonuclease [Pseudomonas fluorescens]" 97.74 259 96.91 98.84 0.00e+00 GB AAT80896 "catabolite repression control protein [Pseudomonas fluorescens]" 97.74 259 98.07 99.23 0.00e+00 GB AAY95245 "putative exodeoxyribonuclease III [Pseudomonas protegens Pf-5]" 97.74 259 98.07 99.61 0.00e+00 GB ABA77282 "catabolite repression control protein [Pseudomonas fluorescens Pf0-1]" 97.74 259 96.91 98.84 0.00e+00 GB AEA72053 "catabolite repression control protein [Pseudomonas brassicacearum subsp. brassicacearum NFM421]" 97.74 259 97.68 98.84 0.00e+00 GB AEV65739 "Crc [Pseudomonas fluorescens F113]" 97.74 259 97.68 98.84 0.00e+00 REF WP_003176915 "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" 97.74 259 98.46 99.61 0.00e+00 REF WP_003177265 "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" 97.74 259 98.07 98.84 0.00e+00 REF WP_003195493 "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" 97.74 259 98.07 99.23 0.00e+00 REF WP_003229491 "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" 97.74 259 97.30 98.84 0.00e+00 REF WP_003437806 "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" 97.74 259 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Crc g-proteobacteria 317 Bacteria . Pseudomonas syringae LZ4W crc 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 _Details $Crc 'recombinant technology' . Pseudomonas syringae LZ4W pET22b 'crc gene from Pseudomonas syringae was cloned into pET22b over-expression vector.' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 'natural abundance' D2O 100 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-10% 13C]' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]' D2O 100 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Crc . uM 350 600 '[U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' 'Potassium phosphate buffer' 50 mM . . 'natural abundance' Na2SO4 100 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' Proline 10 mM . . 'natural abundance' Arginine 25 mM . . 'natural abundance' Glutamate 25 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 'cara 1.8.6' loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_TROSY-HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D-1H(15N)_HMQC_NOESY-1H-15N_FHSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-1H(15N) HMQC NOESY-1H-15N FHSQC' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH' _Sample_label $sample_7 save_ save_3D_(H)C(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CCO)NH' _Sample_label $sample_7 save_ save_15N-edited_3D_NOESY_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited 3D NOESY HSQC' _Sample_label $sample_3 save_ save_13C-edited_3D_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited 3D NOESY-HSQC' _Sample_label $sample_6 save_ save_3D-(1H)_13C_HMQC_NOESY-15N_FHSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-(1H) 13C HMQC NOESY-15N FHSQC' _Sample_label $sample_5 save_ save_3D-1H_(13C)_HMQC-NOESY-15N_FHSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-1H (13C) HMQC-NOESY-15N FHSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_TROSY-HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50mM Potassium Phosphate buffer pH 7.0, 100mM Na2SO4, 50mM NaCl, 10mM Proline, 25mM Arginine, 25mM Glutamate, 5mM DTT ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 265 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 TROSY' '2D 1H-13C HSQC' '3D TROSY-HNCO' '3D TROSY-HNCA' '3D TROSY-HN(CA)CB' '3D TROSY-HN(CO)CA' '3D TROSY-HN(COCA)CB' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D-1H(15N) HMQC NOESY-1H-15N FHSQC' '3D H(CCCO)NH' '3D (H)C(CCO)NH' '15N-edited 3D NOESY HSQC' '13C-edited 3D NOESY-HSQC' '3D-(1H) 13C HMQC NOESY-15N FHSQC' '3D-1H (13C) HMQC-NOESY-15N FHSQC' '3D TROSY-HN(CA)CO' stop_ loop_ _Sample_label $sample_3 $sample_5 $sample_1 $sample_2 $sample_7 $sample_6 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Crc_1 _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 1 1 MET C C 171.497 0.30 1 2 1 1 MET CA C 54.131 0.30 1 3 1 1 MET CB C 33.133 0.30 1 4 2 2 ARG H H 10.129 0.02 1 5 2 2 ARG C C 175.901 0.30 1 6 2 2 ARG CA C 54.412 0.30 1 7 2 2 ARG CB C 32.319 0.30 1 8 2 2 ARG N N 131.060 0.30 1 9 3 3 ILE H H 9.398 0.02 1 10 3 3 ILE HD1 H 0.694 0.02 1 11 3 3 ILE C C 175.798 0.30 1 12 3 3 ILE CA C 58.398 0.30 1 13 3 3 ILE CB C 37.747 0.30 1 14 3 3 ILE CD1 C 13.052 0.30 1 15 3 3 ILE N N 130.481 0.30 1 16 4 4 ILE H H 8.408 0.02 1 17 4 4 ILE C C 174.571 0.30 1 18 4 4 ILE CA C 58.848 0.30 1 19 4 4 ILE CB C 39.436 0.30 1 20 4 4 ILE N N 129.642 0.30 1 21 5 5 SER H H 9.267 0.02 1 22 5 5 SER C C 174.190 0.30 1 23 5 5 SER CA C 54.647 0.30 1 24 5 5 SER CB C 64.721 0.30 1 25 5 5 SER N N 124.022 0.30 1 26 6 6 VAL H H 8.928 0.02 1 27 6 6 VAL HG1 H 0.715 0.02 2 28 6 6 VAL HG2 H 0.715 0.02 2 29 6 6 VAL C C 176.479 0.30 1 30 6 6 VAL CA C 59.393 0.30 1 31 6 6 VAL CB C 33.736 0.30 1 32 6 6 VAL CG1 C 19.936 0.30 1 33 6 6 VAL CG2 C 20.711 0.30 1 34 6 6 VAL N N 124.848 0.30 1 35 7 7 ASN H H 8.225 0.02 1 36 7 7 ASN CA C 51.471 0.30 1 37 7 7 ASN CB C 34.437 0.30 1 38 7 7 ASN N N 129.718 0.30 1 39 8 8 VAL HG1 H 0.838 0.02 2 40 8 8 VAL HG2 H 0.588 0.02 2 41 8 8 VAL C C 174.051 0.30 1 42 8 8 VAL CA C 60.855 0.30 1 43 8 8 VAL CB C 31.037 0.30 1 44 8 8 VAL CG1 C 25.193 0.30 1 45 8 8 VAL CG2 C 18.176 0.30 1 46 9 9 ASN H H 8.512 0.02 1 47 9 9 ASN C C 174.112 0.30 1 48 9 9 ASN CA C 53.650 0.30 1 49 9 9 ASN CB C 39.592 0.30 1 50 9 9 ASN N N 117.678 0.30 1 51 10 10 GLY H H 8.746 0.02 1 52 10 10 GLY C C 173.755 0.30 1 53 10 10 GLY CA C 44.173 0.30 1 54 10 10 GLY N N 106.363 0.30 1 55 11 11 ILE H H 9.346 0.02 1 56 11 11 ILE HD1 H 0.562 0.02 1 57 11 11 ILE C C 175.947 0.30 1 58 11 11 ILE CA C 63.361 0.30 1 59 11 11 ILE CB C 38.266 0.30 1 60 11 11 ILE CD1 C 14.133 0.30 1 61 11 11 ILE N N 129.301 0.30 1 62 12 12 GLN H H 8.819 0.02 1 63 12 12 GLN C C 180.064 0.30 1 64 12 12 GLN CA C 59.518 0.30 1 65 12 12 GLN CB C 26.135 0.30 1 66 12 12 GLN N N 123.972 0.30 1 67 13 13 THR H H 7.465 0.02 1 68 13 13 THR C C 177.457 0.30 1 69 13 13 THR CA C 64.372 0.30 1 70 13 13 THR CB C 67.651 0.30 1 71 13 13 THR N N 116.253 0.30 1 72 14 14 ALA H H 7.983 0.02 1 73 14 14 ALA C C 181.519 0.30 1 74 14 14 ALA CA C 54.947 0.30 1 75 14 14 ALA CB C 17.950 0.30 1 76 14 14 ALA N N 126.361 0.30 1 77 15 15 VAL H H 8.730 0.02 1 78 15 15 VAL HG1 H 1.160 0.02 2 79 15 15 VAL HG2 H 0.893 0.02 2 80 15 15 VAL C C 181.866 0.30 1 81 15 15 VAL CA C 66.371 0.30 1 82 15 15 VAL CB C 30.367 0.30 1 83 15 15 VAL CG1 C 23.794 0.30 1 84 15 15 VAL CG2 C 20.492 0.30 1 85 15 15 VAL N N 119.405 0.30 1 86 16 16 GLU H H 7.742 0.02 1 87 16 16 GLU C C 179.010 0.30 1 88 16 16 GLU CA C 58.930 0.30 1 89 16 16 GLU CB C 28.015 0.30 1 90 16 16 GLU N N 126.579 0.30 1 91 17 17 ARG H H 7.637 0.02 1 92 17 17 ARG C C 176.726 0.30 1 93 17 17 ARG CA C 56.486 0.30 1 94 17 17 ARG CB C 30.261 0.30 1 95 17 17 ARG N N 117.600 0.30 1 96 18 18 GLY H H 7.690 0.02 1 97 18 18 GLY C C 176.986 0.30 1 98 18 18 GLY CA C 44.735 0.30 1 99 18 18 GLY N N 107.073 0.30 1 100 19 19 LEU H H 7.652 0.02 1 101 19 19 LEU HD1 H 0.394 0.02 2 102 19 19 LEU HD2 H 0.651 0.02 2 103 19 19 LEU C C 178.426 0.30 1 104 19 19 LEU CA C 57.763 0.30 1 105 19 19 LEU CB C 42.375 0.30 1 106 19 19 LEU CD1 C 22.833 0.30 1 107 19 19 LEU CD2 C 26.536 0.30 1 108 19 19 LEU N N 122.775 0.30 1 109 20 20 LEU H H 8.603 0.02 1 110 20 20 LEU HD1 H 0.806 0.02 2 111 20 20 LEU HD2 H 0.535 0.02 2 112 20 20 LEU C C 180.074 0.30 1 113 20 20 LEU CA C 57.687 0.30 1 114 20 20 LEU CB C 38.184 0.30 1 115 20 20 LEU CD1 C 25.875 0.30 1 116 20 20 LEU CD2 C 20.986 0.30 1 117 20 20 LEU N N 115.949 0.30 1 118 21 21 SER H H 7.009 0.02 1 119 21 21 SER C C 177.696 0.30 1 120 21 21 SER CA C 60.333 0.30 1 121 21 21 SER CB C 61.430 0.30 1 122 21 21 SER N N 115.154 0.30 1 123 22 22 TRP H H 7.404 0.02 1 124 22 22 TRP C C 180.157 0.30 1 125 22 22 TRP CA C 61.630 0.30 1 126 22 22 TRP CB C 27.707 0.30 1 127 22 22 TRP N N 123.525 0.30 1 128 23 23 LEU H H 8.721 0.02 1 129 23 23 LEU HD1 H 0.736 0.02 2 130 23 23 LEU HD2 H 0.541 0.02 2 131 23 23 LEU C C 181.001 0.30 1 132 23 23 LEU CA C 57.122 0.30 1 133 23 23 LEU CB C 40.698 0.30 1 134 23 23 LEU CD1 C 25.447 0.30 1 135 23 23 LEU CD2 C 22.893 0.30 1 136 23 23 LEU N N 120.270 0.30 1 137 24 24 GLN H H 7.847 0.02 1 138 24 24 GLN C C 176.938 0.30 1 139 24 24 GLN CA C 57.774 0.30 1 140 24 24 GLN CB C 27.455 0.30 1 141 24 24 GLN N N 119.202 0.30 1 142 25 25 ALA H H 6.756 0.02 1 143 25 25 ALA C C 178.899 0.30 1 144 25 25 ALA CA C 51.445 0.30 1 145 25 25 ALA CB C 17.754 0.30 1 146 25 25 ALA N N 119.215 0.30 1 147 26 26 GLN H H 6.972 0.02 1 148 26 26 GLN C C 175.945 0.30 1 149 26 26 GLN CA C 54.104 0.30 1 150 26 26 GLN CB C 27.314 0.30 1 151 26 26 GLN N N 114.839 0.30 1 152 27 27 ASN H H 7.682 0.02 1 153 27 27 ASN C C 174.973 0.30 1 154 27 27 ASN CA C 53.035 0.30 1 155 27 27 ASN CB C 36.089 0.30 1 156 27 27 ASN N N 117.420 0.30 1 157 28 28 ALA H H 8.864 0.02 1 158 28 28 ALA C C 178.225 0.30 1 159 28 28 ALA CA C 50.723 0.30 1 160 28 28 ALA CB C 18.543 0.30 1 161 28 28 ALA N N 120.290 0.30 1 162 29 29 ASP H H 9.311 0.02 1 163 29 29 ASP C C 175.928 0.30 1 164 29 29 ASP CA C 57.450 0.30 1 165 29 29 ASP CB C 42.538 0.30 1 166 29 29 ASP N N 123.881 0.30 1 167 30 30 VAL C C 174.859 0.30 1 168 31 31 ILE H H 9.298 0.02 1 169 31 31 ILE HD1 H 0.117 0.02 1 170 31 31 ILE C C 174.913 0.30 1 171 31 31 ILE CA C 58.558 0.30 1 172 31 31 ILE CB C 40.468 0.30 1 173 31 31 ILE CD1 C 14.480 0.30 1 174 31 31 ILE N N 128.111 0.30 1 175 32 32 CYS C C 173.485 0.30 1 176 32 32 CYS CA C 56.947 0.30 1 177 32 32 CYS CB C 28.408 0.30 1 178 33 33 LEU H H 9.380 0.02 1 179 33 33 LEU C C 175.542 0.30 1 180 33 33 LEU CA C 51.805 0.30 1 181 33 33 LEU CB C 43.541 0.30 1 182 33 33 LEU N N 123.267 0.30 1 183 35 35 ASP C C 176.292 0.30 1 184 35 35 ASP CA C 53.416 0.30 1 185 35 35 ASP CB C 37.150 0.30 1 186 36 36 THR H H 8.044 0.02 1 187 36 36 THR C C 177.655 0.30 1 188 36 36 THR CA C 63.120 0.30 1 189 36 36 THR CB C 66.512 0.30 1 190 36 36 THR N N 110.350 0.30 1 191 37 37 ARG H H 8.952 0.02 1 192 37 37 ARG C C 176.001 0.30 1 193 37 37 ARG CA C 56.043 0.30 1 194 37 37 ARG CB C 26.019 0.30 1 195 37 37 ARG N N 119.435 0.30 1 196 38 38 ALA H H 7.010 0.02 1 197 38 38 ALA C C 178.594 0.30 1 198 38 38 ALA CA C 49.159 0.30 1 199 38 38 ALA CB C 21.846 0.30 1 200 38 38 ALA N N 118.374 0.30 1 201 39 39 SER H H 9.132 0.02 1 202 39 39 SER C C 174.532 0.30 1 203 39 39 SER CA C 56.176 0.30 1 204 39 39 SER CB C 64.082 0.30 1 205 39 39 SER N N 122.687 0.30 1 206 40 40 ALA H H 9.140 0.02 1 207 40 40 ALA C C 181.022 0.30 1 208 40 40 ALA CA C 54.572 0.30 1 209 40 40 ALA CB C 16.379 0.30 1 210 40 40 ALA N N 125.713 0.30 1 211 41 41 PHE H H 8.344 0.02 1 212 41 41 PHE C C 179.521 0.30 1 213 41 41 PHE CA C 59.505 0.30 1 214 41 41 PHE CB C 37.753 0.30 1 215 41 41 PHE N N 118.499 0.30 1 216 42 42 GLU H H 7.676 0.02 1 217 42 42 GLU C C 178.857 0.30 1 218 42 42 GLU CA C 58.262 0.30 1 219 42 42 GLU CB C 28.641 0.30 1 220 42 42 GLU N N 122.669 0.30 1 221 43 43 LEU H H 6.978 0.02 1 222 43 43 LEU HD1 H 0.307 0.02 2 223 43 43 LEU HD2 H -0.104 0.02 2 224 43 43 LEU C C 176.393 0.30 1 225 43 43 LEU CA C 55.094 0.30 1 226 43 43 LEU CB C 39.002 0.30 1 227 43 43 LEU CD1 C 25.522 0.30 1 228 43 43 LEU CD2 C 22.179 0.30 1 229 43 43 LEU N N 117.068 0.30 1 230 44 44 ASP H H 6.937 0.02 1 231 44 44 ASP C C 176.923 0.30 1 232 44 44 ASP CA C 53.423 0.30 1 233 44 44 ASP CB C 39.232 0.30 1 234 44 44 ASP N N 118.302 0.30 1 235 45 45 ASP H H 7.463 0.02 1 236 45 45 ASP C C 176.279 0.30 1 237 45 45 ASP CA C 52.273 0.30 1 238 45 45 ASP CB C 43.357 0.30 1 239 45 45 ASP N N 124.070 0.30 1 240 46 46 PRO C C 178.406 0.30 1 241 46 46 PRO CA C 64.571 0.30 1 242 46 46 PRO CB C 31.135 0.30 1 243 47 47 ALA H H 8.993 0.02 1 244 47 47 ALA C C 179.176 0.30 1 245 47 47 ALA CA C 53.530 0.30 1 246 47 47 ALA CB C 17.122 0.30 1 247 47 47 ALA N N 121.620 0.30 1 248 48 48 TYR H H 7.289 0.02 1 249 48 48 TYR C C 175.412 0.30 1 250 48 48 TYR CA C 57.030 0.30 1 251 48 48 TYR CB C 37.511 0.30 1 252 48 48 TYR N N 112.817 0.30 1 253 49 49 GLN H H 7.060 0.02 1 254 49 49 GLN C C 175.966 0.30 1 255 49 49 GLN CA C 54.292 0.30 1 256 49 49 GLN CB C 27.071 0.30 1 257 49 49 GLN N N 118.027 0.30 1 258 50 50 LEU H H 8.927 0.02 1 259 50 50 LEU HD1 H -0.352 0.02 2 260 50 50 LEU HD2 H 0.086 0.02 2 261 50 50 LEU C C 177.457 0.30 1 262 50 50 LEU CA C 52.166 0.30 1 263 50 50 LEU CB C 43.881 0.30 1 264 50 50 LEU CD1 C 23.987 0.30 1 265 50 50 LEU CD2 C 24.653 0.30 1 266 50 50 LEU N N 126.353 0.30 1 267 51 51 ASP H H 8.421 0.02 1 268 51 51 ASP C C 178.182 0.30 1 269 51 51 ASP CA C 55.722 0.30 1 270 51 51 ASP CB C 39.799 0.30 1 271 51 51 ASP N N 126.973 0.30 1 272 52 52 GLY H H 8.623 0.02 1 273 52 52 GLY C C 174.698 0.30 1 274 52 52 GLY CA C 44.354 0.30 1 275 52 52 GLY N N 114.309 0.30 1 276 53 53 TYR H H 7.863 0.02 1 277 53 53 TYR C C 176.936 0.30 1 278 53 53 TYR CA C 56.791 0.30 1 279 53 53 TYR CB C 40.312 0.30 1 280 53 53 TYR N N 118.089 0.30 1 281 54 54 PHE H H 9.182 0.02 1 282 54 54 PHE C C 174.758 0.30 1 283 54 54 PHE CA C 57.019 0.30 1 284 54 54 PHE CB C 40.707 0.30 1 285 54 54 PHE N N 124.553 0.30 1 286 55 55 LEU H H 8.050 0.02 1 287 55 55 LEU HD1 H -0.286 0.02 2 288 55 55 LEU HD2 H 0.531 0.02 2 289 55 55 LEU C C 175.488 0.30 1 290 55 55 LEU CA C 53.476 0.30 1 291 55 55 LEU CB C 41.822 0.30 1 292 55 55 LEU CD1 C 20.256 0.30 1 293 55 55 LEU CD2 C 25.589 0.30 1 294 55 55 LEU N N 125.455 0.30 1 295 56 56 TYR H H 8.954 0.02 1 296 56 56 TYR C C 173.959 0.30 1 297 56 56 TYR CA C 56.275 0.30 1 298 56 56 TYR CB C 40.068 0.30 1 299 56 56 TYR N N 127.640 0.30 1 300 57 57 ALA H H 8.489 0.02 1 301 57 57 ALA C C 176.279 0.30 1 302 57 57 ALA CA C 50.536 0.30 1 303 57 57 ALA CB C 22.599 0.30 1 304 57 57 ALA N N 124.636 0.30 1 305 58 58 CYS H H 8.125 0.02 1 306 58 58 CYS C C 173.908 0.30 1 307 58 58 CYS CA C 55.682 0.30 1 308 58 58 CYS CB C 28.755 0.30 1 309 58 58 CYS N N 118.736 0.30 1 310 59 59 GLU H H 8.682 0.02 1 311 59 59 GLU C C 175.488 0.30 1 312 59 59 GLU CA C 52.567 0.30 1 313 59 59 GLU CB C 32.323 0.30 1 314 59 59 GLU N N 124.782 0.30 1 315 60 60 ALA H H 8.725 0.02 1 316 60 60 ALA C C 177.235 0.30 1 317 60 60 ALA CA C 50.322 0.30 1 318 60 60 ALA CB C 19.025 0.30 1 319 60 60 ALA N N 127.287 0.30 1 320 61 61 GLU H H 7.405 0.02 1 321 61 61 GLU C C 178.441 0.30 1 322 61 61 GLU CA C 58.970 0.30 1 323 61 61 GLU CB C 28.293 0.30 1 324 61 61 GLU N N 122.444 0.30 1 325 62 62 VAL H H 7.642 0.02 1 326 62 62 VAL HG1 H 0.799 0.02 2 327 62 62 VAL HG2 H 0.767 0.02 2 328 62 62 VAL C C 175.613 0.30 1 329 62 62 VAL CA C 66.578 0.30 1 330 62 62 VAL CB C 30.183 0.30 1 331 62 62 VAL CG1 C 20.735 0.30 1 332 62 62 VAL CG2 C 19.726 0.30 1 333 62 62 VAL N N 120.306 0.30 1 334 63 63 PRO C C 178.030 0.30 1 335 63 63 PRO CA C 65.373 0.30 1 336 63 63 PRO CB C 30.612 0.30 1 337 64 64 ALA H H 7.930 0.02 1 338 64 64 ALA C C 178.801 0.30 1 339 64 64 ALA CA C 53.329 0.30 1 340 64 64 ALA CB C 17.656 0.30 1 341 64 64 ALA N N 116.594 0.30 1 342 65 65 GLN H H 8.402 0.02 1 343 65 65 GLN C C 176.805 0.30 1 344 65 65 GLN CA C 55.414 0.30 1 345 65 65 GLN CB C 27.118 0.30 1 346 65 65 GLN N N 114.785 0.30 1 347 66 66 GLY H H 7.064 0.02 1 348 66 66 GLY C C 172.092 0.30 1 349 66 66 GLY CA C 46.686 0.30 1 350 66 66 GLY N N 109.490 0.30 1 351 67 67 GLY H H 7.418 0.02 1 352 67 67 GLY C C 176.514 0.30 1 353 67 67 GLY CA C 46.009 0.30 1 354 67 67 GLY N N 116.247 0.30 1 355 68 68 VAL H H 7.675 0.02 1 356 68 68 VAL HG1 H 0.545 0.02 2 357 68 68 VAL HG2 H 1.041 0.02 2 358 68 68 VAL C C 174.269 0.30 1 359 68 68 VAL CA C 59.156 0.30 1 360 68 68 VAL CB C 35.696 0.30 1 361 68 68 VAL CG1 C 19.538 0.30 1 362 68 68 VAL CG2 C 21.951 0.30 1 363 68 68 VAL N N 118.200 0.30 1 364 69 69 ALA H H 8.372 0.02 1 365 69 69 ALA C C 175.108 0.30 1 366 69 69 ALA CA C 51.134 0.30 1 367 69 69 ALA CB C 21.714 0.30 1 368 69 69 ALA N N 121.478 0.30 1 369 70 70 LEU H H 9.123 0.02 1 370 70 70 LEU C C 175.052 0.30 1 371 70 70 LEU CA C 54.556 0.30 1 372 70 70 LEU CB C 46.326 0.30 1 373 70 70 LEU N N 124.335 0.30 1 374 71 71 TYR H H 9.654 0.02 1 375 71 71 TYR C C 178.042 0.30 1 376 71 71 TYR CA C 55.711 0.30 1 377 71 71 TYR CB C 40.405 0.30 1 378 71 71 TYR N N 125.056 0.30 1 379 72 72 SER H H 9.487 0.02 1 380 72 72 SER C C 176.143 0.30 1 381 72 72 SER CA C 56.486 0.30 1 382 72 72 SER CB C 65.395 0.30 1 383 72 72 SER N N 115.899 0.30 1 384 73 73 ARG H H 8.219 0.02 1 385 73 73 ARG C C 177.628 0.30 1 386 73 73 ARG CA C 58.395 0.30 1 387 73 73 ARG CB C 29.491 0.30 1 388 73 73 ARG N N 130.298 0.30 1 389 74 74 LEU H H 8.215 0.02 1 390 74 74 LEU HD1 H 0.697 0.02 2 391 74 74 LEU HD2 H 0.783 0.02 2 392 74 74 LEU C C 177.984 0.30 1 393 74 74 LEU CA C 52.073 0.30 1 394 74 74 LEU CB C 42.866 0.30 1 395 74 74 LEU CD1 C 25.220 0.30 1 396 74 74 LEU CD2 C 23.012 0.30 1 397 74 74 LEU N N 118.677 0.30 1 398 75 75 GLN H H 8.601 0.02 1 399 75 75 GLN C C 173.658 0.30 1 400 75 75 GLN CA C 53.182 0.30 1 401 75 75 GLN CB C 27.349 0.30 1 402 75 75 GLN N N 127.311 0.30 1 403 76 76 PRO C C 176.723 0.30 1 404 76 76 PRO CA C 61.313 0.30 1 405 76 76 PRO CB C 30.645 0.30 1 406 77 77 LYS H H 8.008 0.02 1 407 77 77 LYS C C 177.242 0.30 1 408 77 77 LYS CA C 56.898 0.30 1 409 77 77 LYS CB C 30.669 0.30 1 410 77 77 LYS N N 120.999 0.30 1 411 78 78 ALA H H 6.819 0.02 1 412 78 78 ALA C C 175.419 0.30 1 413 78 78 ALA CA C 51.084 0.30 1 414 78 78 ALA CB C 20.799 0.30 1 415 78 78 ALA N N 117.556 0.30 1 416 79 79 VAL H H 8.021 0.02 1 417 79 79 VAL HG1 H 0.460 0.02 2 418 79 79 VAL HG2 H -0.069 0.02 2 419 79 79 VAL C C 175.819 0.30 1 420 79 79 VAL CA C 60.855 0.30 1 421 79 79 VAL CB C 32.529 0.30 1 422 79 79 VAL CG1 C 20.638 0.30 1 423 79 79 VAL CG2 C 19.889 0.30 1 424 79 79 VAL N N 122.095 0.30 1 425 80 80 ILE H H 9.235 0.02 1 426 80 80 ILE HD1 H 0.679 0.02 1 427 80 80 ILE C C 176.306 0.30 1 428 80 80 ILE CA C 59.358 0.30 1 429 80 80 ILE CB C 39.900 0.30 1 430 80 80 ILE CD1 C 13.220 0.30 1 431 80 80 ILE N N 131.634 0.30 1 432 81 81 THR H H 8.471 0.02 1 433 81 81 THR C C 174.615 0.30 1 434 81 81 THR CA C 60.226 0.30 1 435 81 81 THR CB C 68.731 0.30 1 436 81 81 THR N N 118.541 0.30 1 437 82 82 GLY H H 7.421 0.02 1 438 82 82 GLY C C 173.104 0.30 1 439 82 82 GLY CA C 44.360 0.30 1 440 82 82 GLY N N 109.898 0.30 1 441 83 83 LEU H H 10.016 0.02 1 442 83 83 LEU HD1 H 0.855 0.02 2 443 83 83 LEU HD2 H -0.360 0.02 2 444 83 83 LEU C C 178.177 0.30 1 445 83 83 LEU CA C 53.624 0.30 1 446 83 83 LEU CB C 44.012 0.30 1 447 83 83 LEU CD1 C 23.591 0.30 1 448 83 83 LEU CD2 C 23.304 0.30 1 449 83 83 LEU N N 124.526 0.30 1 450 84 84 GLY H H 9.509 0.02 1 451 84 84 GLY C C 174.365 0.30 1 452 84 84 GLY CA C 43.966 0.30 1 453 84 84 GLY N N 110.550 0.30 1 454 85 85 PHE H H 6.430 0.02 1 455 85 85 PHE C C 177.741 0.30 1 456 85 85 PHE CA C 53.757 0.30 1 457 85 85 PHE CB C 39.311 0.30 1 458 85 85 PHE N N 115.742 0.30 1 459 86 86 GLU C C 177.996 0.30 1 460 86 86 GLU CA C 59.799 0.30 1 461 86 86 GLU CB C 29.139 0.30 1 462 87 87 THR H H 7.896 0.02 1 463 87 87 THR C C 175.918 0.30 1 464 87 87 THR CA C 64.196 0.30 1 465 87 87 THR CB C 67.421 0.30 1 466 87 87 THR N N 109.200 0.30 1 467 88 88 ALA H H 7.066 0.02 1 468 88 88 ALA C C 180.241 0.30 1 469 88 88 ALA CA C 52.714 0.30 1 470 88 88 ALA CB C 19.141 0.30 1 471 88 88 ALA N N 120.346 0.30 1 472 89 89 ASP H H 8.189 0.02 1 473 89 89 ASP C C 180.254 0.30 1 474 89 89 ASP CA C 56.978 0.30 1 475 89 89 ASP CB C 38.593 0.30 1 476 89 89 ASP N N 121.129 0.30 1 477 90 90 ARG H H 8.371 0.02 1 478 90 90 ARG C C 176.658 0.30 1 479 90 90 ARG CA C 57.571 0.30 1 480 90 90 ARG CB C 28.784 0.30 1 481 90 90 ARG N N 120.758 0.30 1 482 91 91 TYR H H 6.834 0.02 1 483 91 91 TYR C C 174.966 0.30 1 484 91 91 TYR CA C 56.644 0.30 1 485 91 91 TYR CB C 39.101 0.30 1 486 91 91 TYR N N 115.466 0.30 1 487 92 92 GLY H H 7.369 0.02 1 488 92 92 GLY C C 174.254 0.30 1 489 92 92 GLY CA C 48.611 0.30 1 490 92 92 GLY N N 111.531 0.30 1 491 93 93 ARG H H 6.876 0.02 1 492 93 93 ARG C C 175.433 0.30 1 493 93 93 ARG CA C 57.139 0.30 1 494 93 93 ARG CB C 30.228 0.30 1 495 93 93 ARG N N 112.311 0.30 1 496 94 94 TYR H H 7.931 0.02 1 497 94 94 TYR C C 173.568 0.30 1 498 94 94 TYR CA C 57.513 0.30 1 499 94 94 TYR CB C 42.337 0.30 1 500 94 94 TYR N N 119.676 0.30 1 501 95 95 LEU H H 7.289 0.02 1 502 95 95 LEU HD1 H 0.539 0.02 2 503 95 95 LEU HD2 H 0.479 0.02 2 504 95 95 LEU C C 173.689 0.30 1 505 95 95 LEU CA C 54.209 0.30 1 506 95 95 LEU CB C 44.958 0.30 1 507 95 95 LEU CD1 C 25.711 0.30 1 508 95 95 LEU CD2 C 26.592 0.30 1 509 95 95 LEU N N 129.694 0.30 1 510 96 96 GLN H H 8.910 0.02 1 511 96 96 GLN C C 172.409 0.30 1 512 96 96 GLN CA C 53.310 0.30 1 513 96 96 GLN CB C 32.894 0.30 1 514 96 96 GLN N N 127.207 0.30 1 515 97 97 ALA H H 9.255 0.02 1 516 97 97 ALA C C 175.348 0.30 1 517 97 97 ALA CA C 48.890 0.30 1 518 97 97 ALA CB C 21.084 0.30 1 519 97 97 ALA N N 130.125 0.30 1 520 98 98 ASP H H 8.143 0.02 1 521 98 98 ASP C C 178.499 0.30 1 522 98 98 ASP CA C 53.468 0.30 1 523 98 98 ASP CB C 40.727 0.30 1 524 98 98 ASP N N 123.387 0.30 1 525 99 99 PHE H H 9.637 0.02 1 526 99 99 PHE C C 173.545 0.30 1 527 99 99 PHE CA C 59.793 0.30 1 528 99 99 PHE N N 131.029 0.30 1 529 100 100 ASP C C 177.639 0.30 1 530 100 100 ASP CA C 56.492 0.30 1 531 100 100 ASP CB C 41.075 0.30 1 532 101 101 LYS H H 9.214 0.02 1 533 101 101 LYS CA C 54.305 0.30 1 534 101 101 LYS N N 121.540 0.30 1 535 102 102 VAL HG1 H 0.413 0.02 2 536 102 102 VAL HG2 H 0.158 0.02 2 537 102 102 VAL C C 173.862 0.30 1 538 102 102 VAL CA C 58.033 0.30 1 539 102 102 VAL CB C 34.272 0.30 1 540 102 102 VAL CG1 C 19.666 0.30 1 541 102 102 VAL CG2 C 21.506 0.30 1 542 103 103 SER H H 7.987 0.02 1 543 103 103 SER C C 172.102 0.30 1 544 103 103 SER CA C 57.657 0.30 1 545 103 103 SER CB C 64.018 0.30 1 546 103 103 SER N N 125.078 0.30 1 547 104 104 ILE H H 9.040 0.02 1 548 104 104 ILE HD1 H 0.544 0.02 1 549 104 104 ILE C C 173.751 0.30 1 550 104 104 ILE CA C 59.303 0.30 1 551 104 104 ILE CB C 39.592 0.30 1 552 104 104 ILE CD1 C 14.321 0.30 1 553 104 104 ILE N N 124.796 0.30 1 554 105 105 ALA H H 9.134 0.02 1 555 105 105 ALA C C 176.198 0.30 1 556 105 105 ALA CA C 48.481 0.30 1 557 105 105 ALA CB C 23.412 0.30 1 558 105 105 ALA N N 130.579 0.30 1 559 106 106 THR H H 8.744 0.02 1 560 106 106 THR C C 176.279 0.30 1 561 106 106 THR CA C 56.360 0.30 1 562 106 106 THR CB C 71.158 0.30 1 563 106 106 THR N N 117.112 0.30 1 564 107 107 LEU H H 8.144 0.02 1 565 107 107 LEU HD1 H 0.405 0.02 2 566 107 107 LEU HD2 H -0.087 0.02 2 567 107 107 LEU C C 174.111 0.30 1 568 107 107 LEU CA C 52.911 0.30 1 569 107 107 LEU CB C 45.483 0.30 1 570 107 107 LEU CD1 C 22.395 0.30 1 571 107 107 LEU CD2 C 25.683 0.30 1 572 107 107 LEU N N 127.984 0.30 1 573 108 108 LEU H H 8.636 0.02 1 574 108 108 LEU HD1 H 1.215 0.02 2 575 108 108 LEU HD2 H 0.917 0.02 2 576 108 108 LEU C C 173.445 0.30 1 577 108 108 LEU CA C 52.285 0.30 1 578 108 108 LEU CB C 46.672 0.30 1 579 108 108 LEU CD1 C 23.424 0.30 1 580 108 108 LEU CD2 C 25.875 0.30 1 581 108 108 LEU N N 130.424 0.30 1 582 109 109 LEU H H 7.600 0.02 1 583 109 109 LEU C C 176.050 0.30 1 584 109 109 LEU CA C 51.338 0.30 1 585 109 109 LEU CB C 40.116 0.30 1 586 109 109 LEU N N 124.226 0.30 1 587 110 110 PRO C C 176.568 0.30 1 588 110 110 PRO CA C 60.962 0.30 1 589 110 110 PRO CB C 30.285 0.30 1 590 111 111 SER H H 7.757 0.02 1 591 111 111 SER C C 179.221 0.30 1 592 111 111 SER CA C 59.251 0.30 1 593 111 111 SER CB C 62.019 0.30 1 594 111 111 SER N N 114.704 0.30 1 595 112 112 GLY H H 7.534 0.02 1 596 112 112 GLY C C 173.173 0.30 1 597 112 112 GLY CA C 44.815 0.30 1 598 112 112 GLY N N 113.247 0.30 1 599 113 113 GLN H H 7.529 0.02 1 600 113 113 GLN C C 177.719 0.30 1 601 113 113 GLN CA C 55.735 0.30 1 602 113 113 GLN CB C 27.314 0.30 1 603 113 113 GLN N N 116.285 0.30 1 604 114 114 ASN H H 8.793 0.02 1 605 114 114 ASN C C 175.433 0.30 1 606 114 114 ASN CA C 52.501 0.30 1 607 114 114 ASN CB C 37.464 0.30 1 608 114 114 ASN N N 118.737 0.30 1 609 115 115 GLY H H 7.581 0.02 1 610 115 115 GLY C C 174.441 0.30 1 611 115 115 GLY CA C 43.478 0.30 1 612 115 115 GLY N N 110.419 0.30 1 613 116 116 ASP H H 8.291 0.02 1 614 116 116 ASP C C 179.237 0.30 1 615 116 116 ASP CA C 57.018 0.30 1 616 116 116 ASP CB C 39.533 0.30 1 617 116 116 ASP N N 119.687 0.30 1 618 117 117 GLU H H 8.384 0.02 1 619 117 117 GLU C C 179.142 0.30 1 620 117 117 GLU CA C 58.502 0.30 1 621 117 117 GLU CB C 27.312 0.30 1 622 117 117 GLU N N 120.878 0.30 1 623 118 118 ASP H H 7.179 0.02 1 624 118 118 ASP C C 173.922 0.30 1 625 118 118 ASP CA C 55.897 0.30 1 626 118 118 ASP CB C 41.622 0.30 1 627 118 118 ASP N N 123.188 0.30 1 628 119 119 LEU H H 7.706 0.02 1 629 119 119 LEU HD1 H 0.497 0.02 2 630 119 119 LEU HD2 H 0.583 0.02 2 631 119 119 LEU C C 178.258 0.30 1 632 119 119 LEU CA C 56.674 0.30 1 633 119 119 LEU CB C 39.655 0.30 1 634 119 119 LEU CD1 C 23.413 0.30 1 635 119 119 LEU CD2 C 25.078 0.30 1 636 119 119 LEU N N 120.419 0.30 1 637 120 120 ASN H H 8.055 0.02 1 638 120 120 ASN C C 179.322 0.30 1 639 120 120 ASN CA C 55.735 0.30 1 640 120 120 ASN CB C 37.235 0.30 1 641 120 120 ASN N N 117.643 0.30 1 642 121 121 GLN H H 7.903 0.02 1 643 121 121 GLN C C 178.552 0.30 1 644 121 121 GLN CA C 58.502 0.30 1 645 121 121 GLN CB C 27.816 0.30 1 646 121 121 GLN N N 121.442 0.30 1 647 122 122 LYS H H 7.819 0.02 1 648 122 122 LYS C C 178.469 0.30 1 649 122 122 LYS CA C 59.759 0.30 1 650 122 122 LYS CB C 32.684 0.30 1 651 122 122 LYS N N 123.040 0.30 1 652 123 123 PHE H H 8.217 0.02 1 653 123 123 PHE C C 180.024 0.30 1 654 123 123 PHE CA C 57.617 0.30 1 655 123 123 PHE CB C 36.065 0.30 1 656 123 123 PHE N N 118.478 0.30 1 657 124 124 LYS H H 7.780 0.02 1 658 124 124 LYS C C 178.823 0.30 1 659 124 124 LYS CA C 58.475 0.30 1 660 124 124 LYS CB C 30.817 0.30 1 661 124 124 LYS N N 122.737 0.30 1 662 125 125 LEU H H 7.947 0.02 1 663 125 125 LEU HD2 H 0.904 0.02 2 664 125 125 LEU C C 179.691 0.30 1 665 125 125 LEU CA C 56.871 0.30 1 666 125 125 LEU CB C 39.294 0.30 1 667 125 125 LEU CD2 C 27.409 0.30 1 668 125 125 LEU N N 122.094 0.30 1 669 126 126 MET H H 8.591 0.02 1 670 126 126 MET C C 180.059 0.30 1 671 126 126 MET CA C 59.625 0.30 1 672 126 126 MET CB C 30.808 0.30 1 673 126 126 MET N N 120.941 0.30 1 674 127 127 ASP H H 7.545 0.02 1 675 127 127 ASP C C 177.068 0.30 1 676 127 127 ASP CA C 57.197 0.30 1 677 127 127 ASP CB C 40.181 0.30 1 678 127 127 ASP N N 123.174 0.30 1 679 128 128 ASP H H 8.086 0.02 1 680 128 128 ASP C C 179.227 0.30 1 681 128 128 ASP CA C 56.991 0.30 1 682 128 128 ASP CB C 38.442 0.30 1 683 128 128 ASP N N 121.693 0.30 1 684 129 129 PHE H H 9.320 0.02 1 685 129 129 PHE C C 178.039 0.30 1 686 129 129 PHE CA C 60.774 0.30 1 687 129 129 PHE CB C 38.341 0.30 1 688 129 129 PHE N N 121.628 0.30 1 689 130 130 ALA H H 8.448 0.02 1 690 130 130 ALA C C 180.182 0.30 1 691 130 130 ALA CA C 55.134 0.30 1 692 130 130 ALA CB C 16.218 0.30 1 693 130 130 ALA N N 122.747 0.30 1 694 131 131 ARG H H 7.592 0.02 1 695 131 131 ARG C C 180.367 0.30 1 696 131 131 ARG CA C 58.868 0.30 1 697 131 131 ARG CB C 28.755 0.30 1 698 131 131 ARG N N 119.371 0.30 1 699 132 132 TYR H H 7.702 0.02 1 700 132 132 TYR C C 178.032 0.30 1 701 132 132 TYR CA C 60.478 0.30 1 702 132 132 TYR CB C 36.678 0.30 1 703 132 132 TYR N N 123.591 0.30 1 704 133 133 LEU H H 8.431 0.02 1 705 133 133 LEU HD1 H -0.271 0.02 2 706 133 133 LEU HD2 H -0.464 0.02 2 707 133 133 LEU C C 181.075 0.30 1 708 133 133 LEU CA C 56.272 0.30 1 709 133 133 LEU CB C 39.461 0.30 1 710 133 133 LEU CD1 C 25.232 0.30 1 711 133 133 LEU CD2 C 20.098 0.30 1 712 133 133 LEU N N 122.539 0.30 1 713 134 134 ASP H H 7.954 0.02 1 714 134 134 ASP C C 178.802 0.30 1 715 134 134 ASP CA C 56.818 0.30 1 716 134 134 ASP CB C 40.688 0.30 1 717 134 134 ASP N N 121.694 0.30 1 718 135 135 LYS H H 7.067 0.02 1 719 135 135 LYS C C 180.717 0.30 1 720 135 135 LYS CA C 57.714 0.30 1 721 135 135 LYS CB C 31.027 0.30 1 722 135 135 LYS N N 118.245 0.30 1 723 136 136 GLN H H 8.104 0.02 1 724 136 136 GLN C C 179.398 0.30 1 725 136 136 GLN CA C 56.524 0.30 1 726 136 136 GLN CB C 27.816 0.30 1 727 136 136 GLN N N 120.857 0.30 1 728 137 137 ARG H H 7.650 0.02 1 729 137 137 ARG C C 177.360 0.30 1 730 137 137 ARG CA C 57.045 0.30 1 731 137 137 ARG CB C 27.652 0.30 1 732 137 137 ARG N N 117.939 0.30 1 733 138 138 ARG H H 7.139 0.02 1 734 138 138 ARG C C 177.690 0.30 1 735 138 138 ARG CA C 55.334 0.30 1 736 138 138 ARG CB C 28.689 0.30 1 737 138 138 ARG N N 117.678 0.30 1 738 139 139 LYS H H 7.533 0.02 1 739 139 139 LYS C C 177.582 0.30 1 740 139 139 LYS CA C 55.000 0.30 1 741 139 139 LYS CB C 31.847 0.30 1 742 139 139 LYS N N 121.261 0.30 1 743 140 140 ARG H H 8.438 0.02 1 744 140 140 ARG C C 176.479 0.30 1 745 140 140 ARG CA C 55.000 0.30 1 746 140 140 ARG CB C 27.122 0.30 1 747 140 140 ARG N N 124.098 0.30 1 748 141 141 ARG H H 7.518 0.02 1 749 141 141 ARG C C 174.934 0.30 1 750 141 141 ARG CA C 55.000 0.30 1 751 141 141 ARG CB C 31.079 0.30 1 752 141 141 ARG N N 123.337 0.30 1 753 142 142 GLU H H 7.365 0.02 1 754 142 142 GLU C C 175.779 0.30 1 755 142 142 GLU CA C 53.049 0.30 1 756 142 142 GLU CB C 27.916 0.30 1 757 142 142 GLU N N 122.213 0.30 1 758 143 143 TYR H H 8.963 0.02 1 759 143 143 TYR C C 174.604 0.30 1 760 143 143 TYR CA C 56.841 0.30 1 761 143 143 TYR CB C 44.160 0.30 1 762 143 143 TYR N N 121.031 0.30 1 763 144 144 ILE H H 7.763 0.02 1 764 144 144 ILE HD1 H -0.138 0.02 1 765 144 144 ILE C C 175.652 0.30 1 766 144 144 ILE CA C 60.169 0.30 1 767 144 144 ILE CB C 39.120 0.30 1 768 144 144 ILE CD1 C 13.149 0.30 1 769 144 144 ILE N N 118.176 0.30 1 770 145 145 TYR H H 9.857 0.02 1 771 145 145 TYR C C 176.668 0.30 1 772 145 145 TYR CA C 56.503 0.30 1 773 145 145 TYR CB C 37.774 0.30 1 774 145 145 TYR N N 125.930 0.30 1 775 146 146 CYS H H 9.386 0.02 1 776 146 146 CYS C C 174.558 0.30 1 777 146 146 CYS CA C 57.505 0.30 1 778 146 146 CYS CB C 24.455 0.30 1 779 146 146 CYS N N 126.527 0.30 1 780 147 147 GLY H H 8.668 0.02 1 781 147 147 GLY C C 172.300 0.30 1 782 147 147 GLY CA C 44.093 0.30 1 783 147 147 GLY N N 111.417 0.30 1 784 148 148 SER H H 8.407 0.02 1 785 148 148 SER C C 174.663 0.30 1 786 148 148 SER CA C 56.176 0.30 1 787 148 148 SER CB C 61.400 0.30 1 788 148 148 SER N N 124.626 0.30 1 789 149 149 LEU H H 7.749 0.02 1 790 149 149 LEU HD1 H 0.574 0.02 2 791 149 149 LEU C C 175.167 0.30 1 792 149 149 LEU CA C 54.572 0.30 1 793 149 149 LEU CB C 41.884 0.30 1 794 149 149 LEU CD1 C 25.083 0.30 1 795 149 149 LEU N N 121.582 0.30 1 796 150 150 TYR H H 7.243 0.02 1 797 150 150 TYR C C 174.966 0.30 1 798 150 150 TYR CA C 58.502 0.30 1 799 150 150 TYR CB C 33.495 0.30 1 800 150 150 TYR N N 106.534 0.30 1 801 151 151 VAL H H 6.417 0.02 1 802 151 151 VAL HG1 H 0.863 0.02 2 803 151 151 VAL HG2 H 0.781 0.02 2 804 151 151 VAL C C 174.764 0.30 1 805 151 151 VAL CA C 61.376 0.30 1 806 151 151 VAL CB C 36.441 0.30 1 807 151 151 VAL CG1 C 22.355 0.30 1 808 151 151 VAL CG2 C 21.551 0.30 1 809 151 151 VAL N N 114.853 0.30 1 810 152 152 ALA H H 9.552 0.02 1 811 152 152 ALA C C 175.599 0.30 1 812 152 152 ALA CA C 49.947 0.30 1 813 152 152 ALA CB C 19.904 0.30 1 814 152 152 ALA N N 134.317 0.30 1 815 153 153 GLN H H 7.385 0.02 1 816 153 153 GLN C C 176.971 0.30 1 817 153 153 GLN CA C 59.465 0.30 1 818 153 153 GLN CB C 28.487 0.30 1 819 153 153 GLN N N 120.942 0.30 1 820 154 154 GLN H H 9.292 0.02 1 821 154 154 GLN C C 177.263 0.30 1 822 154 154 GLN CA C 53.383 0.30 1 823 154 154 GLN CB C 31.047 0.30 1 824 154 154 GLN N N 116.682 0.30 1 825 155 155 LYS H H 8.540 0.02 1 826 155 155 LYS C C 178.365 0.30 1 827 155 155 LYS CA C 59.759 0.30 1 828 155 155 LYS CB C 30.490 0.30 1 829 155 155 LYS N N 122.629 0.30 1 830 156 156 LEU H H 7.230 0.02 1 831 156 156 LEU HD1 H 0.781 0.02 2 832 156 156 LEU HD2 H 0.640 0.02 2 833 156 156 LEU C C 179.015 0.30 1 834 156 156 LEU CA C 55.321 0.30 1 835 156 156 LEU CB C 42.111 0.30 1 836 156 156 LEU CD1 C 23.748 0.30 1 837 156 156 LEU CD2 C 24.006 0.30 1 838 156 156 LEU N N 115.767 0.30 1 839 157 157 ASP H H 8.087 0.02 1 840 157 157 ASP C C 173.729 0.30 1 841 157 157 ASP CA C 55.215 0.30 1 842 157 157 ASP CB C 42.385 0.30 1 843 157 157 ASP N N 119.070 0.30 1 844 158 158 ILE H H 7.436 0.02 1 845 158 158 ILE HD1 H -0.592 0.02 1 846 158 158 ILE C C 175.275 0.30 1 847 158 158 ILE CA C 59.317 0.30 1 848 158 158 ILE CB C 40.792 0.30 1 849 158 158 ILE CD1 C 14.068 0.30 1 850 158 158 ILE N N 120.518 0.30 1 851 159 159 LYS H H 6.840 0.02 1 852 159 159 LYS C C 178.230 0.30 1 853 159 159 LYS CA C 58.368 0.30 1 854 159 159 LYS CB C 29.495 0.30 1 855 159 159 LYS N N 128.002 0.30 1 856 160 160 ASN H H 8.114 0.02 1 857 160 160 ASN C C 176.594 0.30 1 858 160 160 ASN CA C 49.774 0.30 1 859 160 160 ASN CB C 35.680 0.30 1 860 160 160 ASN N N 119.524 0.30 1 861 161 161 TRP H H 6.883 0.02 1 862 161 161 TRP C C 178.635 0.30 1 863 161 161 TRP CA C 58.074 0.30 1 864 161 161 TRP CB C 27.183 0.30 1 865 161 161 TRP N N 122.887 0.30 1 866 162 162 ARG H H 7.017 0.02 1 867 162 162 ARG C C 179.204 0.30 1 868 162 162 ARG CA C 58.876 0.30 1 869 162 162 ARG CB C 27.969 0.30 1 870 162 162 ARG N N 124.157 0.30 1 871 163 163 ASP H H 6.989 0.02 1 872 163 163 ASP C C 178.107 0.30 1 873 163 163 ASP CA C 53.893 0.30 1 874 163 163 ASP CB C 40.083 0.30 1 875 163 163 ASP N N 117.667 0.30 1 876 164 164 SER H H 7.291 0.02 1 877 164 164 SER C C 175.488 0.30 1 878 164 164 SER CA C 59.010 0.30 1 879 164 164 SER CB C 63.362 0.30 1 880 164 164 SER N N 116.224 0.30 1 881 165 165 GLN H H 7.860 0.02 1 882 165 165 GLN C C 176.018 0.30 1 883 165 165 GLN CA C 57.868 0.30 1 884 165 165 GLN CB C 28.754 0.30 1 885 165 165 GLN N N 118.898 0.30 1 886 166 166 GLN H H 8.152 0.02 1 887 166 166 GLN C C 176.405 0.30 1 888 166 166 GLN CA C 53.931 0.30 1 889 166 166 GLN CB C 27.314 0.30 1 890 166 166 GLN N N 117.151 0.30 1 891 167 167 SER H H 7.591 0.02 1 892 167 167 SER C C 171.080 0.30 1 893 167 167 SER CA C 55.562 0.30 1 894 167 167 SER CB C 63.832 0.30 1 895 167 167 SER N N 120.251 0.30 1 896 170 170 PHE C C 177.123 0.30 1 897 170 170 PHE CA C 56.096 0.30 1 898 170 170 PHE CB C 41.036 0.30 1 899 171 171 LEU H H 9.266 0.02 1 900 171 171 LEU HD1 H 0.936 0.02 2 901 171 171 LEU HD2 H 0.695 0.02 2 902 171 171 LEU C C 180.798 0.30 1 903 171 171 LEU CA C 54.197 0.30 1 904 171 171 LEU CB C 41.759 0.30 1 905 171 171 LEU CD1 C 25.893 0.30 1 906 171 171 LEU CD2 C 22.056 0.30 1 907 171 171 LEU N N 122.240 0.30 1 908 172 172 ALA H H 9.162 0.02 1 909 172 172 ALA C C 178.275 0.30 1 910 172 172 ALA CA C 56.764 0.30 1 911 172 172 ALA CB C 14.278 0.30 1 912 172 172 ALA N N 127.355 0.30 1 913 173 173 PRO C C 180.581 0.30 1 914 173 173 PRO CA C 64.544 0.30 1 915 173 173 PRO CB C 29.730 0.30 1 916 174 174 GLU H H 6.869 0.02 1 917 174 174 GLU C C 178.982 0.30 1 918 174 174 GLU CA C 58.368 0.30 1 919 174 174 GLU CB C 28.606 0.30 1 920 174 174 GLU N N 119.378 0.30 1 921 175 175 ARG H H 7.933 0.02 1 922 175 175 ARG C C 179.607 0.30 1 923 175 175 ARG CA C 59.157 0.30 1 924 175 175 ARG CB C 29.844 0.30 1 925 175 175 ARG N N 120.342 0.30 1 926 176 176 ALA H H 7.922 0.02 1 927 176 176 ALA C C 180.646 0.30 1 928 176 176 ALA CA C 53.904 0.30 1 929 176 176 ALA CB C 16.921 0.30 1 930 176 176 ALA N N 120.157 0.30 1 931 177 177 TRP H H 7.394 0.02 1 932 177 177 TRP C C 178.300 0.30 1 933 177 177 TRP CA C 60.387 0.30 1 934 177 177 TRP CB C 27.614 0.30 1 935 177 177 TRP N N 123.115 0.30 1 936 178 178 MET H H 7.480 0.02 1 937 178 178 MET C C 178.706 0.30 1 938 178 178 MET CA C 56.738 0.30 1 939 178 178 MET CB C 29.409 0.30 1 940 178 178 MET N N 118.413 0.30 1 941 179 179 ASP H H 8.367 0.02 1 942 179 179 ASP C C 179.830 0.30 1 943 179 179 ASP CA C 56.584 0.30 1 944 179 179 ASP CB C 39.414 0.30 1 945 179 179 ASP N N 120.024 0.30 1 946 180 180 GLU H H 7.627 0.02 1 947 180 180 GLU C C 178.594 0.30 1 948 180 180 GLU CA C 58.155 0.30 1 949 180 180 GLU CB C 27.914 0.30 1 950 180 180 GLU N N 122.492 0.30 1 951 181 181 ILE H H 7.233 0.02 1 952 181 181 ILE HD1 H -0.648 0.02 1 953 181 181 ILE C C 177.124 0.30 1 954 181 181 ILE CA C 64.731 0.30 1 955 181 181 ILE CB C 37.149 0.30 1 956 181 181 ILE CD1 C 10.823 0.30 1 957 181 181 ILE N N 121.268 0.30 1 958 182 182 VAL H H 7.895 0.02 1 959 182 182 VAL HG1 H 0.741 0.02 2 960 182 182 VAL HG2 H 0.781 0.02 2 961 182 182 VAL C C 177.989 0.30 1 962 182 182 VAL CA C 61.229 0.30 1 963 182 182 VAL CB C 30.817 0.30 1 964 182 182 VAL CG1 C 19.709 0.30 1 965 182 182 VAL CG2 C 20.760 0.30 1 966 182 182 VAL N N 114.077 0.30 1 967 183 183 GLY H H 7.422 0.02 1 968 183 183 GLY C C 176.306 0.30 1 969 183 183 GLY CA C 45.457 0.30 1 970 183 183 GLY N N 111.683 0.30 1 971 184 184 ASN H H 8.002 0.02 1 972 184 184 ASN C C 178.129 0.30 1 973 184 184 ASN CA C 55.348 0.30 1 974 184 184 ASN CB C 37.660 0.30 1 975 184 184 ASN N N 124.340 0.30 1 976 185 185 MET H H 8.384 0.02 1 977 185 185 MET C C 177.956 0.30 1 978 185 185 MET CA C 57.620 0.30 1 979 185 185 MET CB C 32.454 0.30 1 980 185 185 MET N N 116.133 0.30 1 981 186 186 GLY H H 6.773 0.02 1 982 186 186 GLY C C 175.669 0.30 1 983 186 186 GLY CA C 45.483 0.30 1 984 186 186 GLY N N 104.991 0.30 1 985 187 187 TYR H H 7.740 0.02 1 986 187 187 TYR C C 175.870 0.30 1 987 187 187 TYR CA C 59.919 0.30 1 988 187 187 TYR CB C 36.907 0.30 1 989 187 187 TYR N N 118.374 0.30 1 990 188 188 VAL H H 9.397 0.02 1 991 188 188 VAL HG1 H 0.757 0.02 2 992 188 188 VAL HG2 H 0.819 0.02 2 993 188 188 VAL C C 176.487 0.30 1 994 188 188 VAL CA C 60.587 0.30 1 995 188 188 VAL CB C 33.591 0.30 1 996 188 188 VAL CG1 C 21.142 0.30 1 997 188 188 VAL CG2 C 21.132 0.30 1 998 188 188 VAL N N 120.766 0.30 1 999 189 189 ASP H H 8.771 0.02 1 1000 189 189 ASP C C 177.397 0.30 1 1001 189 189 ASP CA C 51.915 0.30 1 1002 189 189 ASP CB C 39.944 0.30 1 1003 189 189 ASP N N 128.632 0.30 1 1004 190 190 ALA H H 8.845 0.02 1 1005 190 190 ALA C C 179.070 0.30 1 1006 190 190 ALA CA C 56.150 0.30 1 1007 190 190 ALA CB C 19.025 0.30 1 1008 190 190 ALA N N 130.814 0.30 1 1009 191 191 LEU H H 7.569 0.02 1 1010 191 191 LEU HD1 H 0.645 0.02 2 1011 191 191 LEU HD2 H 0.599 0.02 2 1012 191 191 LEU C C 179.121 0.30 1 1013 191 191 LEU CA C 58.101 0.30 1 1014 191 191 LEU CB C 40.836 0.30 1 1015 191 191 LEU CD1 C 26.379 0.30 1 1016 191 191 LEU CD2 C 24.421 0.30 1 1017 191 191 LEU N N 113.489 0.30 1 1018 192 192 ARG H H 6.816 0.02 1 1019 192 192 ARG C C 177.901 0.30 1 1020 192 192 ARG CA C 54.359 0.30 1 1021 192 192 ARG CB C 27.863 0.30 1 1022 192 192 ARG N N 116.458 0.30 1 1023 193 193 GLU H H 7.739 0.02 1 1024 193 193 GLU C C 178.342 0.30 1 1025 193 193 GLU CA C 56.898 0.30 1 1026 193 193 GLU CB C 27.983 0.30 1 1027 193 193 GLU N N 120.978 0.30 1 1028 194 194 VAL H H 6.871 0.02 1 1029 194 194 VAL HG1 H 0.668 0.02 2 1030 194 194 VAL HG2 H 0.780 0.02 2 1031 194 194 VAL C C 177.072 0.30 1 1032 194 194 VAL CA C 60.280 0.30 1 1033 194 194 VAL CB C 32.057 0.30 1 1034 194 194 VAL CG1 C 22.063 0.30 1 1035 194 194 VAL CG2 C 19.173 0.30 1 1036 194 194 VAL N N 108.359 0.30 1 1037 195 195 SER H H 8.327 0.02 1 1038 195 195 SER C C 175.429 0.30 1 1039 195 195 SER CA C 57.014 0.30 1 1040 195 195 SER CB C 63.127 0.30 1 1041 195 195 SER N N 118.306 0.30 1 1042 196 196 ARG H H 8.946 0.02 1 1043 196 196 ARG C C 176.257 0.30 1 1044 196 196 ARG CA C 54.546 0.30 1 1045 196 196 ARG CB C 28.369 0.30 1 1046 196 196 ARG N N 129.747 0.30 1 1047 197 197 GLU H H 7.477 0.02 1 1048 197 197 GLU C C 178.608 0.30 1 1049 197 197 GLU CA C 55.909 0.30 1 1050 197 197 GLU CB C 30.082 0.30 1 1051 197 197 GLU N N 119.403 0.30 1 1052 198 198 GLY H H 8.421 0.02 1 1053 198 198 GLY C C 173.496 0.30 1 1054 198 198 GLY CA C 43.505 0.30 1 1055 198 198 GLY N N 110.502 0.30 1 1056 199 199 ASP H H 8.260 0.02 1 1057 199 199 ASP C C 175.050 0.30 1 1058 199 199 ASP CA C 54.572 0.30 1 1059 199 199 ASP CB C 39.363 0.30 1 1060 199 199 ASP N N 114.405 0.30 1 1061 200 200 GLN H H 7.172 0.02 1 1062 200 200 GLN C C 173.936 0.30 1 1063 200 200 GLN CA C 53.971 0.30 1 1064 200 200 GLN CB C 29.368 0.30 1 1065 200 200 GLN N N 117.435 0.30 1 1066 201 201 TYR H H 7.756 0.02 1 1067 201 201 TYR C C 172.964 0.30 1 1068 201 201 TYR CA C 53.343 0.30 1 1069 201 201 TYR CB C 39.395 0.30 1 1070 201 201 TYR N N 123.703 0.30 1 1071 202 202 SER H H 8.604 0.02 1 1072 202 202 SER C C 171.536 0.30 1 1073 202 202 SER CA C 57.112 0.30 1 1074 202 202 SER CB C 66.963 0.30 1 1075 202 202 SER N N 115.396 0.30 1 1076 203 203 TRP H H 7.282 0.02 1 1077 203 203 TRP C C 173.750 0.30 1 1078 203 203 TRP CA C 57.807 0.30 1 1079 203 203 TRP CB C 31.499 0.30 1 1080 203 203 TRP N N 125.703 0.30 1 1081 204 204 TRP H H 6.688 0.02 1 1082 204 204 TRP C C 173.076 0.30 1 1083 204 204 TRP CA C 55.241 0.30 1 1084 204 204 TRP CB C 31.306 0.30 1 1085 204 204 TRP N N 126.670 0.30 1 1086 205 205 PRO C C 176.413 0.30 1 1087 205 205 PRO CA C 61.229 0.30 1 1088 205 205 PRO CB C 30.939 0.30 1 1089 206 206 ASP H H 8.126 0.02 1 1090 206 206 ASP C C 175.749 0.30 1 1091 206 206 ASP CA C 52.273 0.30 1 1092 206 206 ASP CB C 38.218 0.30 1 1093 206 206 ASP N N 122.072 0.30 1 1094 207 207 ASN H H 7.783 0.02 1 1095 207 207 ASN C C 175.488 0.30 1 1096 207 207 ASN CA C 52.447 0.30 1 1097 207 207 ASN CB C 39.053 0.30 1 1098 207 207 ASN N N 119.945 0.30 1 1099 208 208 GLU H H 8.727 0.02 1 1100 208 208 GLU C C 179.144 0.30 1 1101 208 208 GLU CA C 58.556 0.30 1 1102 208 208 GLU CB C 28.611 0.30 1 1103 208 208 GLU N N 124.024 0.30 1 1104 209 209 GLN H H 8.214 0.02 1 1105 209 209 GLN C C 178.275 0.30 1 1106 209 209 GLN CA C 58.395 0.30 1 1107 209 209 GLN CB C 27.161 0.30 1 1108 209 209 GLN N N 121.587 0.30 1 1109 210 210 ALA H H 8.105 0.02 1 1110 210 210 ALA C C 180.795 0.30 1 1111 210 210 ALA CA C 54.143 0.30 1 1112 210 210 ALA CB C 17.424 0.30 1 1113 210 210 ALA N N 121.920 0.30 1 1114 211 211 GLU H H 7.262 0.02 1 1115 211 211 GLU C C 180.072 0.30 1 1116 211 211 GLU CA C 57.740 0.30 1 1117 211 211 GLU CB C 28.034 0.30 1 1118 211 211 GLU N N 117.526 0.30 1 1119 212 212 MET H H 8.110 0.02 1 1120 212 212 MET C C 179.213 0.30 1 1121 212 212 MET CA C 57.847 0.30 1 1122 212 212 MET CB C 31.542 0.30 1 1123 212 212 MET N N 121.031 0.30 1 1124 213 213 LEU H H 7.947 0.02 1 1125 213 213 LEU HD1 H 0.766 0.02 2 1126 213 213 LEU HD2 H 0.731 0.02 2 1127 213 213 LEU C C 177.038 0.30 1 1128 213 213 LEU CA C 53.877 0.30 1 1129 213 213 LEU CB C 40.214 0.30 1 1130 213 213 LEU CD1 C 25.035 0.30 1 1131 213 213 LEU CD2 C 21.947 0.30 1 1132 213 213 LEU N N 118.310 0.30 1 1133 214 214 ASN H H 7.485 0.02 1 1134 214 214 ASN C C 175.305 0.30 1 1135 214 214 ASN CA C 52.875 0.30 1 1136 214 214 ASN CB C 35.716 0.30 1 1137 214 214 ASN N N 119.859 0.30 1 1138 215 215 LEU H H 8.555 0.02 1 1139 215 215 LEU HD2 H 0.599 0.02 2 1140 215 215 LEU C C 172.701 0.30 1 1141 215 215 LEU CA C 52.270 0.30 1 1142 215 215 LEU CB C 37.415 0.30 1 1143 215 215 LEU CD2 C 22.603 0.30 1 1144 215 215 LEU N N 120.208 0.30 1 1145 217 217 TRP C C 177.668 0.30 1 1146 217 217 TRP CA C 54.720 0.30 1 1147 218 218 ARG H H 9.648 0.02 1 1148 218 218 ARG C C 172.438 0.30 1 1149 218 218 ARG CA C 57.433 0.30 1 1150 218 218 ARG CB C 28.659 0.30 1 1151 218 218 ARG N N 128.729 0.30 1 1152 219 219 PHE H H 7.650 0.02 1 1153 219 219 PHE C C 174.636 0.30 1 1154 219 219 PHE CA C 51.568 0.30 1 1155 219 219 PHE CB C 42.484 0.30 1 1156 219 219 PHE N N 126.409 0.30 1 1157 220 220 ASP H H 7.056 0.02 1 1158 220 220 ASP C C 174.622 0.30 1 1159 220 220 ASP CA C 53.396 0.30 1 1160 220 220 ASP CB C 42.506 0.30 1 1161 220 220 ASP N N 122.104 0.30 1 1162 221 221 TYR H H 8.980 0.02 1 1163 221 221 TYR C C 177.041 0.30 1 1164 221 221 TYR CA C 57.660 0.30 1 1165 221 221 TYR CB C 43.462 0.30 1 1166 221 221 TYR N N 120.512 0.30 1 1167 222 222 GLN H H 8.612 0.02 1 1168 222 222 GLN C C 174.765 0.30 1 1169 222 222 GLN CA C 56.764 0.30 1 1170 222 222 GLN CB C 27.347 0.30 1 1171 222 222 GLN N N 123.176 0.30 1 1172 223 223 LEU H H 9.148 0.02 1 1173 223 223 LEU HD1 H 0.366 0.02 2 1174 223 223 LEU HD2 H 0.508 0.02 2 1175 223 223 LEU C C 176.556 0.30 1 1176 223 223 LEU CA C 52.060 0.30 1 1177 223 223 LEU CB C 43.159 0.30 1 1178 223 223 LEU CD1 C 24.232 0.30 1 1179 223 223 LEU CD2 C 22.405 0.30 1 1180 223 223 LEU N N 125.949 0.30 1 1181 224 224 LEU H H 9.770 0.02 1 1182 224 224 LEU HD1 H 0.828 0.02 2 1183 224 224 LEU HD2 H 1.034 0.02 2 1184 224 224 LEU C C 179.897 0.30 1 1185 224 224 LEU CA C 51.819 0.30 1 1186 224 224 LEU CB C 43.472 0.30 1 1187 224 224 LEU CD1 C 25.880 0.30 1 1188 224 224 LEU CD2 C 25.744 0.30 1 1189 224 224 LEU N N 122.541 0.30 1 1190 225 225 THR H H 8.438 0.02 1 1191 225 225 THR C C 175.710 0.30 1 1192 225 225 THR CA C 59.865 0.30 1 1193 225 225 THR CB C 66.404 0.30 1 1194 225 225 THR N N 113.047 0.30 1 1195 226 226 PRO C C 180.318 0.30 1 1196 226 226 PRO CA C 64.705 0.30 1 1197 226 226 PRO CB C 29.858 0.30 1 1198 227 227 GLY H H 8.555 0.02 1 1199 227 227 GLY C C 176.556 0.30 1 1200 227 227 GLY CA C 45.751 0.30 1 1201 227 227 GLY N N 110.048 0.30 1 1202 228 228 LEU H H 7.591 0.02 1 1203 228 228 LEU HD1 H 0.409 0.02 2 1204 228 228 LEU HD2 H -0.070 0.02 2 1205 228 228 LEU C C 179.678 0.30 1 1206 228 228 LEU CA C 53.797 0.30 1 1207 228 228 LEU CB C 43.017 0.30 1 1208 228 228 LEU CD1 C 27.263 0.30 1 1209 228 228 LEU CD2 C 22.121 0.30 1 1210 228 228 LEU N N 119.524 0.30 1 1211 229 229 ARG H H 7.508 0.02 1 1212 229 229 ARG C C 178.150 0.30 1 1213 229 229 ARG CA C 59.865 0.30 1 1214 229 229 ARG CB C 29.713 0.30 1 1215 229 229 ARG N N 121.795 0.30 1 1216 230 230 ARG H H 8.100 0.02 1 1217 230 230 ARG C C 177.027 0.30 1 1218 230 230 ARG CA C 56.069 0.30 1 1219 230 230 ARG CB C 27.576 0.30 1 1220 230 230 ARG N N 115.997 0.30 1 1221 231 231 PHE H H 7.793 0.02 1 1222 231 231 PHE C C 176.986 0.30 1 1223 231 231 PHE CA C 56.895 0.30 1 1224 231 231 PHE CB C 38.086 0.30 1 1225 231 231 PHE N N 117.982 0.30 1 1226 232 232 VAL H H 7.163 0.02 1 1227 232 232 VAL HG1 H 0.678 0.02 2 1228 232 232 VAL HG2 H 0.942 0.02 2 1229 232 232 VAL C C 176.035 0.30 1 1230 232 232 VAL CA C 64.223 0.30 1 1231 232 232 VAL CB C 30.379 0.30 1 1232 232 232 VAL CG1 C 21.124 0.30 1 1233 232 232 VAL CG2 C 22.431 0.30 1 1234 232 232 VAL N N 122.172 0.30 1 1235 233 233 ARG H H 8.858 0.02 1 1236 233 233 ARG C C 176.986 0.30 1 1237 233 233 ARG CA C 55.428 0.30 1 1238 233 233 ARG CB C 30.761 0.30 1 1239 233 233 ARG N N 128.638 0.30 1 1240 234 234 SER H H 7.536 0.02 1 1241 234 234 SER C C 172.092 0.30 1 1242 234 234 SER CA C 56.791 0.30 1 1243 234 234 SER CB C 63.947 0.30 1 1244 234 234 SER N N 112.530 0.30 1 1245 235 235 ALA H H 8.389 0.02 1 1246 235 235 ALA C C 175.655 0.30 1 1247 235 235 ALA CA C 50.803 0.30 1 1248 235 235 ALA CB C 21.715 0.30 1 1249 235 235 ALA N N 125.849 0.30 1 1250 236 236 ARG H H 8.879 0.02 1 1251 236 236 ARG C C 174.552 0.30 1 1252 236 236 ARG CA C 54.626 0.30 1 1253 236 236 ARG CB C 33.842 0.30 1 1254 236 236 ARG N N 121.571 0.30 1 1255 237 237 LEU H H 8.526 0.02 1 1256 237 237 LEU HD1 H 0.523 0.02 2 1257 237 237 LEU HD2 H 0.808 0.02 2 1258 237 237 LEU C C 174.502 0.30 1 1259 237 237 LEU CA C 50.960 0.30 1 1260 237 237 LEU CB C 42.473 0.30 1 1261 237 237 LEU CD1 C 26.234 0.30 1 1262 237 237 LEU N N 125.903 0.30 1 1263 238 238 PRO C C 177.445 0.30 1 1264 238 238 PRO CA C 62.219 0.30 1 1265 238 238 PRO CB C 30.743 0.30 1 1266 239 239 ARG H H 8.225 0.02 1 1267 239 239 ARG C C 176.140 0.30 1 1268 239 239 ARG CA C 56.871 0.30 1 1269 239 239 ARG CB C 30.038 0.30 1 1270 239 239 ARG N N 121.311 0.30 1 1271 240 240 GLN H H 7.136 0.02 1 1272 240 240 GLN C C 173.970 0.30 1 1273 240 240 GLN CA C 51.859 0.30 1 1274 240 240 GLN CB C 29.849 0.30 1 1275 240 240 GLN N N 114.996 0.30 1 1276 241 241 PRO C C 174.127 0.30 1 1277 241 241 PRO CA C 61.550 0.30 1 1278 241 241 PRO CB C 32.899 0.30 1 1279 242 242 ARG H H 7.334 0.02 1 1280 242 242 ARG C C 175.786 0.30 1 1281 242 242 ARG CA C 54.105 0.30 1 1282 242 242 ARG CB C 31.341 0.30 1 1283 242 242 ARG N N 116.881 0.30 1 1284 243 243 PHE H H 8.789 0.02 1 1285 243 243 PHE C C 173.545 0.30 1 1286 243 243 PHE CA C 56.257 0.30 1 1287 243 243 PHE CB C 39.656 0.30 1 1288 243 243 PHE N N 122.472 0.30 1 1289 244 244 SER H H 7.604 0.02 1 1290 244 244 SER C C 174.851 0.30 1 1291 244 244 SER CA C 56.016 0.30 1 1292 244 244 SER CB C 62.211 0.30 1 1293 244 244 SER N N 114.130 0.30 1 1294 245 245 GLN H H 8.631 0.02 1 1295 245 245 GLN C C 175.452 0.30 1 1296 245 245 GLN CA C 57.714 0.30 1 1297 245 245 GLN CB C 28.951 0.30 1 1298 245 245 GLN N N 118.753 0.30 1 1299 246 246 HIS H H 8.119 0.02 1 1300 246 246 HIS C C 176.154 0.30 1 1301 246 246 HIS CA C 53.115 0.30 1 1302 246 246 HIS CB C 31.014 0.30 1 1303 246 246 HIS N N 116.194 0.30 1 1304 247 247 ALA H H 8.659 0.02 1 1305 247 247 ALA C C 175.918 0.30 1 1306 247 247 ALA CA C 48.237 0.30 1 1307 247 247 ALA CB C 19.162 0.30 1 1308 247 247 ALA N N 125.753 0.30 1 1309 248 248 PRO C C 173.894 0.30 1 1310 248 248 PRO CA C 61.218 0.30 1 1311 248 248 PRO CB C 32.115 0.30 1 1312 249 249 LEU H H 8.867 0.02 1 1313 249 249 LEU HD2 H 0.822 0.02 2 1314 249 249 LEU C C 176.327 0.30 1 1315 249 249 LEU CA C 52.434 0.30 1 1316 249 249 LEU CB C 41.601 0.30 1 1317 249 249 LEU CD2 C 27.801 0.30 1 1318 249 249 LEU N N 122.242 0.30 1 1319 250 250 ILE H H 8.868 0.02 1 1320 250 250 ILE HD1 H 1.022 0.02 1 1321 250 250 ILE C C 176.327 0.30 1 1322 250 250 ILE CA C 60.667 0.30 1 1323 250 250 ILE CB C 39.132 0.30 1 1324 250 250 ILE CD1 C 15.232 0.30 1 1325 250 250 ILE N N 128.844 0.30 1 1326 251 251 VAL H H 8.638 0.02 1 1327 251 251 VAL HG1 H 0.389 0.02 2 1328 251 251 VAL C C 173.949 0.30 1 1329 251 251 VAL CA C 60.482 0.30 1 1330 251 251 VAL CB C 32.697 0.30 1 1331 251 251 VAL CG1 C 21.021 0.30 1 1332 251 251 VAL N N 130.149 0.30 1 1333 252 252 ASP H H 8.346 0.02 1 1334 252 252 ASP C C 175.785 0.30 1 1335 252 252 ASP CA C 52.861 0.30 1 1336 252 252 ASP CB C 42.224 0.30 1 1337 252 252 ASP N N 127.458 0.30 1 1338 253 253 TYR H H 9.392 0.02 1 1339 253 253 TYR C C 177.504 0.30 1 1340 253 253 TYR CA C 54.973 0.30 1 1341 253 253 TYR CB C 41.926 0.30 1 1342 253 253 TYR N N 120.041 0.30 1 1343 254 254 ASP H H 9.829 0.02 1 1344 254 254 ASP C C 174.088 0.30 1 1345 254 254 ASP CA C 52.700 0.30 1 1346 254 254 ASP CB C 38.262 0.30 1 1347 254 254 ASP N N 128.275 0.30 1 1348 255 255 TRP H H 7.612 0.02 1 1349 255 255 TRP C C 174.864 0.30 1 1350 255 255 TRP CA C 56.711 0.30 1 1351 255 255 TRP CB C 30.392 0.30 1 1352 255 255 TRP N N 124.581 0.30 1 1353 256 256 THR H H 7.686 0.02 1 1354 256 256 THR C C 173.134 0.30 1 1355 256 256 THR CA C 60.641 0.30 1 1356 256 256 THR CB C 68.941 0.30 1 1357 256 256 THR N N 127.775 0.30 1 1358 257 257 LEU H H 8.598 0.02 1 1359 257 257 LEU HD1 H 0.258 0.02 2 1360 257 257 LEU HD2 H -0.010 0.02 2 1361 257 257 LEU C C 177.256 0.30 1 1362 257 257 LEU CA C 54.432 0.30 1 1363 257 257 LEU CB C 41.024 0.30 1 1364 257 257 LEU CD1 C 23.073 0.30 1 1365 257 257 LEU CD2 C 23.520 0.30 1 1366 257 257 LEU N N 131.831 0.30 1 1367 258 258 THR H H 8.434 0.02 1 1368 258 258 THR C C 173.769 0.30 1 1369 258 258 THR CA C 59.919 0.30 1 1370 258 258 THR CB C 72.136 0.30 1 1371 258 258 THR N N 116.406 0.30 1 1372 259 259 ILE H H 8.151 0.02 1 1373 259 259 ILE HD1 H 0.929 0.02 1 1374 259 259 ILE C C 176.677 0.30 1 1375 259 259 ILE CA C 59.504 0.30 1 1376 259 259 ILE CB C 38.833 0.30 1 1377 259 259 ILE CD1 C 14.048 0.30 1 1378 259 259 ILE N N 118.921 0.30 1 stop_ save_