data_18000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Molecular Interactions Involving MRG Domains: Implications in Chromatin Biology ; _BMRB_accession_number 18000 _BMRB_flat_file_name bmr18000.str _Entry_type original _Submission_date 2011-10-16 _Accession_date 2011-10-16 _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 Xie Tao . Sr. 2 Radhakrishnan Ishwar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1125 "13C chemical shifts" 870 "15N chemical shifts" 204 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-17 original author . stop_ _Original_release_date 2012-01-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for Molecular Interactions Involving MRG Domains: Implications in Chromatin Biology.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22244764 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xie Tao . . 2 Graveline Richard . . 3 Kumar 'Ganesan Senthil' . . 4 Zhang Yongbo . . 5 Krishnan Arvind . . 6 David Gregory . . 7 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 160 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MRG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pf1 $Pf1 MRG15 $MRG15 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_Pf1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pf1 _Molecular_mass 4721.391 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; DYVQPQLRRPFELLIAAAME RNPTQFQLPNELTCTTALPG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 200 ASP 2 201 TYR 3 202 VAL 4 203 GLN 5 204 PRO 6 205 GLN 7 206 LEU 8 207 ARG 9 208 ARG 10 209 PRO 11 210 PHE 12 211 GLU 13 212 LEU 14 213 LEU 15 214 ILE 16 215 ALA 17 216 ALA 18 217 ALA 19 218 MET 20 219 GLU 21 220 ARG 22 221 ASN 23 222 PRO 24 223 THR 25 224 GLN 26 225 PHE 27 226 GLN 28 227 LEU 29 228 PRO 30 229 ASN 31 230 GLU 32 231 LEU 33 232 THR 34 233 CYS 35 234 THR 36 235 THR 37 236 ALA 38 237 LEU 39 238 PRO 40 239 GLY 41 240 SER 42 241 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17485 entity_1 100.00 45 100.00 100.00 5.34e-21 PDB 2L9S "Solution Structure Of Pf1 Sid1-Msin3a Pah2 Complex" 100.00 45 100.00 100.00 5.34e-21 PDB 2LKM "Structural Basis For Molecular Interactions Involving Mrg Domains: Implications In Chromatin Biology" 100.00 42 100.00 100.00 6.48e-21 DBJ BAD18713 "FLJ00295 protein [Homo sapiens]" 100.00 770 100.00 100.00 9.55e-19 DBJ BAE00370 "unnamed protein product [Macaca fascicularis]" 57.14 529 100.00 100.00 4.72e-06 DBJ BAE24837 "unnamed protein product [Mus musculus]" 100.00 704 100.00 100.00 9.60e-19 DBJ BAE33212 "unnamed protein product [Mus musculus]" 100.00 1003 100.00 100.00 1.22e-18 DBJ BAE41602 "unnamed protein product [Mus musculus]" 100.00 827 100.00 100.00 1.11e-18 GB AAH01657 "PHF12 protein, partial [Homo sapiens]" 100.00 487 100.00 100.00 3.56e-19 GB AAH43080 "PHD finger protein 12 [Mus musculus]" 100.00 999 100.00 100.00 1.24e-18 GB AAI10883 "PHF12 protein [Homo sapiens]" 100.00 849 100.00 100.00 1.11e-18 GB AAI21044 "PHD finger protein 12 [Homo sapiens]" 100.00 704 100.00 100.00 8.80e-19 GB AAI21045 "PHD finger protein 12 [Homo sapiens]" 100.00 704 100.00 100.00 8.80e-19 REF NP_001013135 "PHD finger protein 12 [Rattus norvegicus]" 100.00 1004 100.00 100.00 1.16e-18 REF NP_001028733 "PHD finger protein 12 isoform 1 [Homo sapiens]" 100.00 1004 100.00 100.00 1.19e-18 REF NP_001179060 "PHD finger protein 12 [Bos taurus]" 100.00 1004 100.00 100.00 1.28e-18 REF NP_001253214 "PHD finger protein 12 [Macaca mulatta]" 100.00 1004 100.00 100.00 1.31e-18 REF NP_001277060 "PHD finger protein 12 isoform 3 [Homo sapiens]" 100.00 849 100.00 100.00 1.11e-18 SP Q5SPL2 "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" 100.00 1003 100.00 100.00 1.22e-18 SP Q96QT6 "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" 100.00 1004 100.00 100.00 1.19e-18 TPG DAA18992 "TPA: PHD finger protein 12 [Bos taurus]" 100.00 1004 100.00 100.00 1.28e-18 stop_ save_ save_MRG15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MRG15 _Molecular_mass 19870.898 _Mol_thiol_state 'not present' _Details . _Residue_count 172 _Mol_residue_sequence ; SNAEVKVKIPEELKPWLVDD WDLITRQKQLFYLPAKKNVD SILEDYANYRKSRGNTDNKE YAVNEVVAGIKEYFNVMLGT QLLYKFERPQYAEILADHPD APMSQVYGAPHLLRLFVRIG AMLAYTPLDEKSLALLLNYL HDFLKYLAKNSATLFSASDY EVAPPEYHRKAV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 152 SER 2 153 ASN 3 154 ALA 4 155 GLU 5 156 VAL 6 157 LYS 7 158 VAL 8 159 LYS 9 160 ILE 10 161 PRO 11 162 GLU 12 163 GLU 13 164 LEU 14 165 LYS 15 166 PRO 16 167 TRP 17 168 LEU 18 169 VAL 19 170 ASP 20 171 ASP 21 172 TRP 22 173 ASP 23 174 LEU 24 175 ILE 25 176 THR 26 177 ARG 27 178 GLN 28 179 LYS 29 180 GLN 30 181 LEU 31 182 PHE 32 183 TYR 33 184 LEU 34 185 PRO 35 186 ALA 36 187 LYS 37 188 LYS 38 189 ASN 39 190 VAL 40 191 ASP 41 192 SER 42 193 ILE 43 194 LEU 44 195 GLU 45 196 ASP 46 197 TYR 47 198 ALA 48 199 ASN 49 200 TYR 50 201 ARG 51 202 LYS 52 203 SER 53 204 ARG 54 205 GLY 55 206 ASN 56 207 THR 57 208 ASP 58 209 ASN 59 210 LYS 60 211 GLU 61 212 TYR 62 213 ALA 63 214 VAL 64 215 ASN 65 216 GLU 66 217 VAL 67 218 VAL 68 219 ALA 69 220 GLY 70 221 ILE 71 222 LYS 72 223 GLU 73 224 TYR 74 225 PHE 75 226 ASN 76 227 VAL 77 228 MET 78 229 LEU 79 230 GLY 80 231 THR 81 232 GLN 82 233 LEU 83 234 LEU 84 235 TYR 85 236 LYS 86 237 PHE 87 238 GLU 88 239 ARG 89 240 PRO 90 241 GLN 91 242 TYR 92 243 ALA 93 244 GLU 94 245 ILE 95 246 LEU 96 247 ALA 97 248 ASP 98 249 HIS 99 250 PRO 100 251 ASP 101 252 ALA 102 253 PRO 103 254 MET 104 255 SER 105 256 GLN 106 257 VAL 107 258 TYR 108 259 GLY 109 260 ALA 110 261 PRO 111 262 HIS 112 263 LEU 113 264 LEU 114 265 ARG 115 266 LEU 116 267 PHE 117 268 VAL 118 269 ARG 119 270 ILE 120 271 GLY 121 272 ALA 122 273 MET 123 274 LEU 124 275 ALA 125 276 TYR 126 277 THR 127 278 PRO 128 279 LEU 129 280 ASP 130 281 GLU 131 282 LYS 132 283 SER 133 284 LEU 134 285 ALA 135 286 LEU 136 287 LEU 137 288 LEU 138 289 ASN 139 290 TYR 140 291 LEU 141 292 HIS 142 293 ASP 143 294 PHE 144 295 LEU 145 296 LYS 146 297 TYR 147 298 LEU 148 299 ALA 149 300 LYS 150 301 ASN 151 302 SER 152 303 ALA 153 304 THR 154 305 LEU 155 306 PHE 156 307 SER 157 308 ALA 158 309 SER 159 310 ASP 160 311 TYR 161 312 GLU 162 313 VAL 163 314 ALA 164 315 PRO 165 316 PRO 166 317 GLU 167 318 TYR 168 319 HIS 169 320 ARG 170 321 LYS 171 322 ALA 172 323 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2AQL "Crystal Structure Of The Mrg15 Mrg Domain" 100.00 173 97.67 98.84 2.60e-118 PDB 2F5J "Crystal Structure Of Mrg Domain From Human Mrg15" 100.00 181 97.67 98.84 3.91e-118 PDB 2LKM "Structural Basis For Molecular Interactions Involving Mrg Domains: Implications In Chromatin Biology" 100.00 172 100.00 100.00 5.64e-121 DBJ BAB30219 "unnamed protein product [Mus musculus]" 100.00 323 97.67 98.84 7.53e-117 DBJ BAB58904 "MRG15 [Mus musculus]" 100.00 323 97.67 98.84 7.53e-117 DBJ BAC37546 "unnamed protein product [Mus musculus]" 100.00 221 97.67 98.84 2.95e-118 DBJ BAD90270 "mKIAA4002 protein [Mus musculus]" 100.00 218 97.67 98.84 1.60e-117 DBJ BAE00783 "unnamed protein product [Macaca fascicularis]" 100.00 323 97.09 98.26 3.11e-116 EMBL CAB70879 "hypothetical protein [Homo sapiens]" 100.58 324 97.11 98.27 3.64e-115 EMBL CAI29614 "hypothetical protein [Pongo abelii]" 100.00 323 97.67 98.84 7.78e-117 GB AAD20058 "Unknown [Homo sapiens]" 98.26 243 99.41 100.00 1.41e-118 GB AAD20970 "HSPC008 [Homo sapiens]" 100.00 323 97.67 98.84 7.53e-117 GB AAD29872 "MRG15 protein [Homo sapiens]" 100.00 323 97.67 98.84 7.53e-117 GB AAF29033 "HSPC061 [Homo sapiens]" 100.00 323 97.67 98.84 7.53e-117 GB AAF80854 "MSL3-1 protein [Homo sapiens]" 100.00 323 97.67 98.84 7.53e-117 REF NP_001011999 "mortality factor 4-like protein 1 [Rattus norvegicus]" 100.00 323 97.67 98.84 7.21e-117 REF NP_001030525 "mortality factor 4-like protein 1 [Bos taurus]" 100.00 296 98.26 98.84 1.46e-117 REF NP_001034236 "mortality factor 4-like protein 1 isoform a [Mus musculus]" 100.00 362 97.67 98.84 1.60e-116 REF NP_001127679 "mortality factor 4-like protein 1 [Pongo abelii]" 100.00 323 97.67 98.84 7.78e-117 REF NP_001240678 "mortality factor 4-like protein 1 [Oryctolagus cuniculus]" 100.00 323 97.67 98.84 7.53e-117 SP P60762 "RecName: Full=Mortality factor 4-like protein 1; AltName: Full=MORF-related gene 15 protein; AltName: Full=Testis-expressed gen" 100.00 362 97.67 98.84 1.60e-116 SP Q5NVP9 "RecName: Full=Mortality factor 4-like protein 1 [Pongo abelii]" 100.00 323 97.67 98.84 7.78e-117 SP Q6AYU1 "RecName: Full=Mortality factor 4-like protein 1; AltName: Full=MORF-related gene 15 protein; AltName: Full=Transcription factor" 100.00 323 97.67 98.84 7.21e-117 SP Q9UBU8 "RecName: Full=Mortality factor 4-like protein 1; AltName: Full=MORF-related gene 15 protein; AltName: Full=Protein MSL3-1; AltN" 100.00 362 97.67 98.84 1.66e-116 TPG DAA17605 "TPA: MORF-related gene 15 [Bos taurus]" 100.00 296 98.26 98.84 2.13e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pf1 Human 9606 Eukaryota Metazoa Homo sapiens $MRG15 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Pf1 'recombinant technology' . Escherichia coli BL21 pMCSG7 $MRG15 'recombinant technology' . Escherichia coli BL21 pMCSG7 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 $Pf1 0.9 mM '[U-100% 13C; U-100% 15N]' $MRG15 0.9 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' D2O 10 % '[U-100% 2H]' DTT 5 mM [U-2H] 'sodium azide' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pf1 0.9 mM '[U-100% 13C; U-100% 15N]' $MRG15 0.9 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' D2O 100 % '[U-100% 2H]' DTT 5 mM [U-2H] 'sodium azide' 0.2 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pf1 0.9 mM 'natural abundance' $MRG15 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' D2O 10 % '[U-100% 2H]' DTT 5 mM [U-2H] 'sodium azide' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pf1 0.9 mM 'natural abundance' $MRG15 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' D2O 100 % '[U-100% 2H]' DTT 5 mM [U-2H] 'sodium azide' 0.2 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . 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' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_1 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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HCACO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 6.8 . pH 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 . . . 0.25145002 DSS H 1 'methyl protons' ppm 0.00 na direct . . . 1.0000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.1013291444 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D HCACO' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_4 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Pf1 _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 1 200 1 ASP HA H 4.57 0.03 1 2 200 1 ASP HB2 H 2.48 0.03 2 3 200 1 ASP HB3 H 2.58 0.03 2 4 200 1 ASP C C 173.31 0.20 1 5 200 1 ASP CA C 52.32 0.20 1 6 200 1 ASP CB C 39.62 0.20 1 7 201 2 TYR H H 8.23 0.03 1 8 201 2 TYR HA H 4.50 0.03 1 9 201 2 TYR HB2 H 2.90 0.03 2 10 201 2 TYR HB3 H 2.94 0.03 2 11 201 2 TYR HD2 H 7.05 0.03 3 12 201 2 TYR HE2 H 6.76 0.03 3 13 201 2 TYR C C 173.37 0.20 1 14 201 2 TYR CA C 56.03 0.20 1 15 201 2 TYR CB C 37.03 0.20 1 16 201 2 TYR CD2 C 131.37 0.20 1 17 201 2 TYR CE2 C 116.25 0.20 1 18 201 2 TYR N N 120.78 0.30 1 19 202 3 VAL H H 7.95 0.03 1 20 202 3 VAL HA H 3.94 0.03 1 21 202 3 VAL HB H 1.89 0.03 1 22 202 3 VAL HG1 H 0.81 0.03 2 23 202 3 VAL HG2 H 0.79 0.03 2 24 202 3 VAL C C 173.44 0.20 1 25 202 3 VAL CA C 60.14 0.20 1 26 202 3 VAL CB C 30.99 0.20 1 27 202 3 VAL CG1 C 18.95 0.20 2 28 202 3 VAL CG2 C 19.41 0.20 2 29 202 3 VAL N N 123.01 0.30 1 30 203 4 GLN H H 8.35 0.03 1 31 203 4 GLN HA H 4.47 0.03 1 32 203 4 GLN HB2 H 1.91 0.03 2 33 203 4 GLN HB3 H 2.04 0.03 2 34 203 4 GLN HG3 H 2.35 0.03 2 35 203 4 GLN HE21 H 6.85 0.03 2 36 203 4 GLN HE22 H 7.56 0.03 2 37 203 4 GLN C C 172.06 0.20 1 38 203 4 GLN CA C 52.27 0.20 1 39 203 4 GLN CB C 26.97 0.20 1 40 203 4 GLN CG C 31.71 0.20 1 41 203 4 GLN N N 112.23 0.30 1 42 203 4 GLN NE2 N 112.17 0.30 1 43 204 5 PRO HA H 4.40 0.03 1 44 204 5 PRO HB2 H 1.86 0.03 2 45 204 5 PRO HB3 H 2.27 0.03 2 46 204 5 PRO HG2 H 1.97 0.03 2 47 204 5 PRO HG3 H 2.04 0.03 2 48 204 5 PRO HD2 H 3.67 0.03 2 49 204 5 PRO HD3 H 3.81 0.03 2 50 204 5 PRO C C 174.83 0.20 1 51 204 5 PRO CA C 61.55 0.20 1 52 204 5 PRO CB C 30.32 0.20 1 53 204 5 PRO CG C 25.95 0.20 1 54 204 5 PRO CD C 49.03 0.20 1 55 205 6 GLN H H 8.77 0.03 1 56 205 6 GLN HA H 4.40 0.03 1 57 205 6 GLN HB2 H 2.02 0.03 2 58 205 6 GLN HB3 H 2.17 0.03 2 59 205 6 GLN HG3 H 2.39 0.03 2 60 205 6 GLN HE21 H 6.82 0.03 2 61 205 6 GLN HE22 H 7.57 0.03 2 62 205 6 GLN C C 174.55 0.20 1 63 205 6 GLN CA C 54.58 0.20 1 64 205 6 GLN CB C 28.34 0.20 1 65 205 6 GLN CG C 32.29 0.20 1 66 205 6 GLN N N 120.56 0.30 1 67 205 6 GLN NE2 N 112.00 0.30 1 68 206 7 LEU H H 8.83 0.03 1 69 206 7 LEU HA H 4.35 0.03 1 70 206 7 LEU HB2 H 1.36 0.03 2 71 206 7 LEU HB3 H 1.55 0.03 2 72 206 7 LEU HG H 1.59 0.03 1 73 206 7 LEU HD1 H 0.79 0.03 2 74 206 7 LEU HD2 H 0.79 0.03 2 75 206 7 LEU C C 174.56 0.20 1 76 206 7 LEU CA C 53.08 0.20 1 77 206 7 LEU CB C 40.95 0.20 1 78 206 7 LEU CG C 25.27 0.20 1 79 206 7 LEU CD1 C 21.81 0.20 2 80 206 7 LEU CD2 C 24.06 0.20 2 81 206 7 LEU N N 120.68 0.30 1 82 207 8 ARG H H 7.83 0.03 1 83 207 8 ARG HA H 4.28 0.03 1 84 207 8 ARG HB2 H 1.79 0.03 2 85 207 8 ARG HB3 H 1.88 0.03 2 86 207 8 ARG HG3 H 1.60 0.03 2 87 207 8 ARG HD3 H 3.16 0.03 2 88 207 8 ARG C C 176.10 0.20 1 89 207 8 ARG CA C 56.65 0.20 1 90 207 8 ARG CB C 28.62 0.20 1 91 207 8 ARG CG C 25.07 0.20 1 92 207 8 ARG CD C 41.31 0.20 1 93 207 8 ARG N N 119.85 0.30 1 94 208 9 ARG H H 8.38 0.03 1 95 208 9 ARG HA H 4.36 0.03 1 96 208 9 ARG HB2 H 1.85 0.03 2 97 208 9 ARG HB3 H 1.98 0.03 2 98 208 9 ARG HG3 H 1.60 0.03 2 99 208 9 ARG HD2 H 3.14 0.03 2 100 208 9 ARG HD3 H 3.31 0.03 2 101 208 9 ARG CA C 57.42 0.20 1 102 208 9 ARG CB C 25.32 0.20 1 103 208 9 ARG CG C 25.32 0.20 1 104 208 9 ARG CD C 41.20 0.20 1 105 208 9 ARG N N 118.38 0.30 1 106 209 10 PRO HA H 3.96 0.03 1 107 209 10 PRO HB2 H 1.37 0.03 2 108 209 10 PRO HB3 H 1.86 0.03 2 109 209 10 PRO HG2 H 1.85 0.03 2 110 209 10 PRO HG3 H 2.05 0.03 2 111 209 10 PRO HD2 H 3.56 0.03 2 112 209 10 PRO HD3 H 3.66 0.03 2 113 209 10 PRO C C 175.69 0.20 1 114 209 10 PRO CA C 64.60 0.20 1 115 209 10 PRO CB C 29.40 0.20 1 116 209 10 PRO CG C 25.91 0.20 1 117 209 10 PRO CD C 47.27 0.20 1 118 210 11 PHE HA H 3.96 0.03 1 119 210 11 PHE HB2 H 2.92 0.03 2 120 210 11 PHE HB3 H 3.05 0.03 2 121 210 11 PHE HD2 H 7.11 0.03 3 122 210 11 PHE HE2 H 6.88 0.03 3 123 210 11 PHE C C 175.54 0.20 1 124 210 11 PHE CA C 61.54 0.20 1 125 210 11 PHE CB C 36.58 0.20 1 126 210 11 PHE CD2 C 130.11 0.20 1 127 211 12 GLU H H 8.26 0.03 1 128 211 12 GLU HA H 3.90 0.03 1 129 211 12 GLU HB2 H 2.03 0.03 2 130 211 12 GLU HB3 H 2.33 0.03 2 131 211 12 GLU HG2 H 2.20 0.03 2 132 211 12 GLU HG3 H 2.43 0.03 2 133 211 12 GLU C C 178.32 0.20 1 134 211 12 GLU CA C 58.27 0.20 1 135 211 12 GLU CB C 27.85 0.20 1 136 211 12 GLU CG C 35.04 0.20 1 137 211 12 GLU N N 119.69 0.30 1 138 212 13 LEU H H 8.12 0.03 1 139 212 13 LEU HA H 4.05 0.03 1 140 212 13 LEU HB2 H 1.27 0.03 2 141 212 13 LEU HB3 H 1.82 0.03 2 142 212 13 LEU HG H 1.69 0.03 1 143 212 13 LEU HD1 H 0.79 0.03 2 144 212 13 LEU HD2 H 0.75 0.03 2 145 212 13 LEU C C 178.24 0.20 1 146 212 13 LEU CA C 55.88 0.20 1 147 212 13 LEU CB C 39.91 0.20 1 148 212 13 LEU CG C 25.09 0.20 1 149 212 13 LEU CD1 C 20.54 0.20 2 150 212 13 LEU CD2 C 24.03 0.20 2 151 212 13 LEU N N 119.03 0.30 1 152 213 14 LEU H H 7.92 0.03 1 153 213 14 LEU HA H 3.89 0.03 1 154 213 14 LEU HB2 H 0.97 0.03 2 155 213 14 LEU HB3 H 1.41 0.03 2 156 213 14 LEU HG H 1.43 0.03 1 157 213 14 LEU HD1 H 0.50 0.03 2 158 213 14 LEU HD2 H 0.14 0.03 2 159 213 14 LEU C C 177.44 0.20 1 160 213 14 LEU CA C 56.01 0.20 1 161 213 14 LEU CB C 39.62 0.20 1 162 213 14 LEU CG C 24.76 0.20 1 163 213 14 LEU CD1 C 20.96 0.20 2 164 213 14 LEU CD2 C 22.91 0.20 2 165 213 14 LEU N N 121.81 0.30 1 166 214 15 ILE H H 8.68 0.03 1 167 214 15 ILE HA H 3.60 0.03 1 168 214 15 ILE HB H 1.87 0.03 1 169 214 15 ILE HG12 H 1.93 0.03 2 170 214 15 ILE HG13 H 1.89 0.03 2 171 214 15 ILE HG2 H 0.99 0.03 1 172 214 15 ILE HD1 H 0.90 0.03 1 173 214 15 ILE C C 175.26 0.20 1 174 214 15 ILE CA C 64.40 0.20 1 175 214 15 ILE CB C 36.98 0.20 1 176 214 15 ILE CG1 C 30.11 0.20 1 177 214 15 ILE CG2 C 15.75 0.20 1 178 214 15 ILE CD1 C 12.79 0.20 1 179 214 15 ILE N N 121.43 0.30 1 180 215 16 ALA H H 7.79 0.03 1 181 215 16 ALA HA H 4.09 0.03 1 182 215 16 ALA HB H 1.46 0.03 1 183 215 16 ALA C C 178.82 0.20 1 184 215 16 ALA CA C 53.31 0.20 1 185 215 16 ALA CB C 16.07 0.20 1 186 215 16 ALA N N 120.37 0.30 1 187 216 17 ALA H H 7.79 0.03 1 188 216 17 ALA HA H 4.16 0.03 1 189 216 17 ALA HB H 1.47 0.03 1 190 216 17 ALA C C 178.73 0.20 1 191 216 17 ALA CA C 52.71 0.20 1 192 216 17 ALA CB C 16.69 0.20 1 193 216 17 ALA N N 118.93 0.30 1 194 217 18 ALA H H 8.13 0.03 1 195 217 18 ALA HA H 3.92 0.03 1 196 217 18 ALA HB H 1.53 0.03 1 197 217 18 ALA C C 178.04 0.20 1 198 217 18 ALA CA C 52.96 0.20 1 199 217 18 ALA CB C 17.33 0.20 1 200 217 18 ALA N N 120.68 0.30 1 201 218 19 MET H H 7.82 0.03 1 202 218 19 MET HA H 4.21 0.03 1 203 218 19 MET HB2 H 2.16 0.03 2 204 218 19 MET HB3 H 2.22 0.03 2 205 218 19 MET HG2 H 2.64 0.03 2 206 218 19 MET HG3 H 2.85 0.03 2 207 218 19 MET HE H 2.07 0.03 1 208 218 19 MET C C 175.22 0.20 1 209 218 19 MET CA C 55.51 0.20 1 210 218 19 MET CB C 30.61 0.20 1 211 218 19 MET CG C 30.42 0.20 1 212 218 19 MET CE C 14.63 0.20 1 213 218 19 MET N N 114.87 0.30 1 214 219 20 GLU H H 7.27 0.03 1 215 219 20 GLU HA H 4.30 0.03 1 216 219 20 GLU HB2 H 1.97 0.03 2 217 219 20 GLU HB3 H 2.12 0.03 2 218 219 20 GLU HG2 H 2.26 0.03 2 219 219 20 GLU HG3 H 2.34 0.03 2 220 219 20 GLU C C 174.40 0.20 1 221 219 20 GLU CA C 54.34 0.20 1 222 219 20 GLU CB C 28.79 0.20 1 223 219 20 GLU CG C 34.41 0.20 1 224 219 20 GLU N N 115.64 0.30 1 225 220 21 ARG H H 7.12 0.03 1 226 220 21 ARG HA H 4.25 0.03 1 227 220 21 ARG HB2 H 1.68 0.03 2 228 220 21 ARG HB3 H 1.79 0.03 2 229 220 21 ARG HG2 H 1.60 0.03 2 230 220 21 ARG HG3 H 1.70 0.03 2 231 220 21 ARG HD2 H 2.90 0.03 2 232 220 21 ARG HD3 H 2.94 0.03 2 233 220 21 ARG C C 174.02 0.20 1 234 220 21 ARG CA C 53.19 0.20 1 235 220 21 ARG CB C 29.29 0.20 1 236 220 21 ARG CG C 25.11 0.20 1 237 220 21 ARG CD C 41.18 0.20 1 238 220 21 ARG N N 118.63 0.30 1 239 221 22 ASN H H 8.55 0.03 1 240 221 22 ASN HA H 4.80 0.03 1 241 221 22 ASN HB2 H 2.60 0.03 2 242 221 22 ASN HB3 H 2.75 0.03 2 243 221 22 ASN HD21 H 6.98 0.03 2 244 221 22 ASN HD22 H 7.60 0.03 2 245 221 22 ASN C C 171.57 0.20 1 246 221 22 ASN CA C 50.02 0.20 1 247 221 22 ASN CB C 35.81 0.20 1 248 221 22 ASN N N 122.19 0.30 1 249 221 22 ASN ND2 N 113.24 0.30 1 250 222 23 PRO HA H 4.65 0.03 1 251 222 23 PRO HB2 H 1.86 0.03 2 252 222 23 PRO HB3 H 2.30 0.03 2 253 222 23 PRO HG2 H 1.90 0.03 2 254 222 23 PRO HG3 H 2.11 0.03 2 255 222 23 PRO HD2 H 3.62 0.03 2 256 222 23 PRO HD3 H 3.94 0.03 2 257 222 23 PRO C C 174.71 0.20 1 258 222 23 PRO CA C 61.85 0.20 1 259 222 23 PRO CB C 30.84 0.20 1 260 222 23 PRO CG C 26.11 0.20 1 261 222 23 PRO CD C 49.25 0.20 1 262 223 24 THR H H 8.48 0.03 1 263 223 24 THR HA H 4.54 0.03 1 264 223 24 THR HB H 4.09 0.03 1 265 223 24 THR HG1 H 5.09 0.03 1 266 223 24 THR HG2 H 1.18 0.03 1 267 223 24 THR C C 171.38 0.20 1 268 223 24 THR CA C 58.47 0.20 1 269 223 24 THR CB C 70.63 0.20 1 270 223 24 THR CG2 C 19.62 0.20 1 271 223 24 THR N N 114.73 0.30 1 272 224 25 GLN H H 8.63 0.03 1 273 224 25 GLN HA H 4.16 0.03 1 274 224 25 GLN HB3 H 2.11 0.03 2 275 224 25 GLN HG2 H 2.43 0.03 2 276 224 25 GLN HG3 H 2.75 0.03 2 277 224 25 GLN HE21 H 7.15 0.03 2 278 224 25 GLN HE22 H 7.72 0.03 2 279 224 25 GLN C C 173.14 0.20 1 280 224 25 GLN CA C 53.91 0.20 1 281 224 25 GLN CB C 26.96 0.20 1 282 224 25 GLN CG C 32.55 0.20 1 283 224 25 GLN N N 122.36 0.30 1 284 224 25 GLN NE2 N 111.97 0.30 1 285 225 26 PHE H H 7.71 0.03 1 286 225 26 PHE HA H 3.99 0.03 1 287 225 26 PHE HB2 H 1.55 0.03 2 288 225 26 PHE HB3 H 2.58 0.03 2 289 225 26 PHE HD1 H 6.76 0.03 3 290 225 26 PHE HE1 H 7.28 0.03 3 291 225 26 PHE HZ H 6.89 0.03 1 292 225 26 PHE C C 171.08 0.20 1 293 225 26 PHE CA C 58.42 0.20 1 294 225 26 PHE CB C 36.69 0.20 1 295 225 26 PHE N N 113.57 0.30 1 296 226 27 GLN H H 6.21 0.03 1 297 226 27 GLN HA H 4.38 0.03 1 298 226 27 GLN HB2 H 1.66 0.03 2 299 226 27 GLN HB3 H 1.79 0.03 2 300 226 27 GLN HG2 H 2.12 0.03 2 301 226 27 GLN HG3 H 2.18 0.03 2 302 226 27 GLN HE21 H 6.85 0.03 2 303 226 27 GLN HE22 H 7.64 0.03 2 304 226 27 GLN C C 171.79 0.20 1 305 226 27 GLN CA C 52.20 0.20 1 306 226 27 GLN CB C 30.98 0.20 1 307 226 27 GLN CG C 31.64 0.20 1 308 226 27 GLN N N 121.54 0.30 1 309 226 27 GLN NE2 N 112.09 0.30 1 310 227 28 LEU H H 8.54 0.03 1 311 227 28 LEU HA H 4.15 0.03 1 312 227 28 LEU HB2 H 1.00 0.03 2 313 227 28 LEU HB3 H 1.33 0.03 2 314 227 28 LEU HG H 1.75 0.03 1 315 227 28 LEU HD1 H 0.89 0.03 2 316 227 28 LEU HD2 H 0.59 0.03 2 317 227 28 LEU C C 173.22 0.20 1 318 227 28 LEU CA C 50.33 0.20 1 319 227 28 LEU CB C 39.69 0.20 1 320 227 28 LEU CG C 24.46 0.20 1 321 227 28 LEU CD1 C 22.64 0.20 2 322 227 28 LEU CD2 C 23.43 0.20 2 323 227 28 LEU N N 122.76 0.30 1 324 228 29 PRO HA H 4.33 0.03 1 325 228 29 PRO HB2 H 1.91 0.03 2 326 228 29 PRO HB3 H 2.39 0.03 2 327 228 29 PRO HG2 H 1.98 0.03 2 328 228 29 PRO HG3 H 2.06 0.03 2 329 228 29 PRO HD2 H 3.36 0.03 2 330 228 29 PRO HD3 H 3.64 0.03 2 331 228 29 PRO C C 175.38 0.20 1 332 228 29 PRO CA C 60.84 0.20 1 333 228 29 PRO CB C 30.64 0.20 1 334 228 29 PRO CG C 25.84 0.20 1 335 228 29 PRO CD C 48.69 0.20 1 336 229 30 ASN H H 8.73 0.03 1 337 229 30 ASN HA H 4.24 0.03 1 338 229 30 ASN HB3 H 2.65 0.03 2 339 229 30 ASN HD21 H 6.89 0.03 2 340 229 30 ASN HD22 H 7.61 0.03 2 341 229 30 ASN C C 174.87 0.20 1 342 229 30 ASN CA C 54.10 0.20 1 343 229 30 ASN CB C 36.54 0.20 1 344 229 30 ASN N N 121.89 0.30 1 345 229 30 ASN ND2 N 112.83 0.30 1 346 230 31 GLU H H 9.13 0.03 1 347 230 31 GLU HA H 4.09 0.03 1 348 230 31 GLU HB3 H 1.96 0.03 2 349 230 31 GLU HG3 H 2.18 0.03 2 350 230 31 GLU C C 175.19 0.20 1 351 230 31 GLU CA C 56.86 0.20 1 352 230 31 GLU CB C 26.78 0.20 1 353 230 31 GLU CG C 34.38 0.20 1 354 230 31 GLU N N 116.44 0.30 1 355 231 32 LEU H H 7.53 0.03 1 356 231 32 LEU HA H 4.33 0.03 1 357 231 32 LEU HB2 H 1.44 0.03 2 358 231 32 LEU HB3 H 1.58 0.03 2 359 231 32 LEU HG H 1.55 0.03 1 360 231 32 LEU HD1 H 0.90 0.03 2 361 231 32 LEU HD2 H 0.82 0.03 2 362 231 32 LEU C C 174.90 0.20 1 363 231 32 LEU CA C 53.53 0.20 1 364 231 32 LEU CB C 40.76 0.20 1 365 231 32 LEU CG C 25.95 0.20 1 366 231 32 LEU CD1 C 24.33 0.20 2 367 231 32 LEU CD2 C 21.78 0.20 2 368 231 32 LEU N N 116.89 0.30 1 369 232 33 THR H H 7.21 0.03 1 370 232 33 THR HA H 3.90 0.03 1 371 232 33 THR HB H 3.86 0.03 1 372 232 33 THR HG2 H 0.31 0.03 1 373 232 33 THR C C 173.00 0.20 1 374 232 33 THR CA C 59.89 0.20 1 375 232 33 THR CB C 67.39 0.20 1 376 232 33 THR CG2 C 19.72 0.20 1 377 232 33 THR N N 119.95 0.30 1 378 233 34 CYS H H 7.82 0.03 1 379 233 34 CYS HA H 4.46 0.03 1 380 233 34 CYS HB2 H 2.82 0.03 2 381 233 34 CYS HB3 H 2.89 0.03 2 382 233 34 CYS C C 173.03 0.20 1 383 233 34 CYS CA C 57.02 0.20 1 384 233 34 CYS CB C 25.67 0.20 1 385 233 34 CYS N N 119.75 0.30 1 386 234 35 THR H H 8.06 0.03 1 387 234 35 THR HA H 4.35 0.03 1 388 234 35 THR HB H 4.25 0.03 1 389 234 35 THR HG2 H 1.17 0.03 1 390 234 35 THR C C 172.75 0.20 1 391 234 35 THR CA C 60.16 0.20 1 392 234 35 THR CB C 67.59 0.20 1 393 234 35 THR CG2 C 19.77 0.20 1 394 234 35 THR N N 115.29 0.30 1 395 235 36 THR H H 7.95 0.03 1 396 235 36 THR HA H 4.27 0.03 1 397 235 36 THR HB H 4.15 0.03 1 398 235 36 THR HG2 H 1.15 0.03 1 399 235 36 THR C C 171.93 0.20 1 400 235 36 THR CA C 59.98 0.20 1 401 235 36 THR CB C 67.86 0.20 1 402 235 36 THR CG2 C 19.82 0.20 1 403 235 36 THR N N 115.94 0.30 1 404 236 37 ALA H H 8.17 0.03 1 405 236 37 ALA HA H 4.29 0.03 1 406 236 37 ALA HB H 1.30 0.03 1 407 236 37 ALA C C 175.22 0.20 1 408 236 37 ALA CA C 50.23 0.20 1 409 236 37 ALA CB C 17.36 0.20 1 410 236 37 ALA N N 113.79 0.30 1 411 237 38 LEU H H 8.20 0.03 1 412 237 38 LEU HA H 4.54 0.03 1 413 237 38 LEU HB2 H 1.50 0.03 2 414 237 38 LEU HB3 H 1.54 0.03 2 415 237 38 LEU HG H 1.64 0.03 1 416 237 38 LEU HD1 H 0.89 0.03 2 417 237 38 LEU HD2 H 0.86 0.03 2 418 237 38 LEU C C 173.56 0.20 1 419 237 38 LEU CA C 51.11 0.20 1 420 237 38 LEU CB C 39.59 0.20 1 421 237 38 LEU CG C 25.17 0.20 1 422 237 38 LEU CD1 C 23.35 0.20 2 423 237 38 LEU CD2 C 21.51 0.20 2 424 237 38 LEU N N 122.92 0.30 1 425 238 39 PRO HA H 4.37 0.03 1 426 238 39 PRO HB2 H 1.89 0.03 2 427 238 39 PRO HB3 H 2.26 0.03 2 428 238 39 PRO HG2 H 1.98 0.03 2 429 238 39 PRO HG3 H 2.02 0.03 2 430 238 39 PRO HD2 H 3.60 0.03 2 431 238 39 PRO HD3 H 3.81 0.03 2 432 238 39 PRO C C 175.61 0.20 1 433 238 39 PRO CA C 61.57 0.20 1 434 238 39 PRO CB C 30.21 0.20 1 435 238 39 PRO CG C 25.74 0.20 1 436 238 39 PRO CD C 48.84 0.20 1 437 239 40 GLY H H 8.48 0.03 1 438 239 40 GLY HA3 H 3.95 0.03 2 439 239 40 GLY C C 172.31 0.20 1 440 239 40 GLY CA C 43.31 0.20 1 441 239 40 GLY N N 122.12 0.30 1 442 240 41 SER H H 8.09 0.03 1 443 240 41 SER HA H 4.48 0.03 1 444 240 41 SER HB2 H 3.84 0.03 2 445 240 41 SER HB3 H 3.88 0.03 2 446 240 41 SER C C 171.79 0.20 1 447 240 41 SER CA C 56.44 0.20 1 448 240 41 SER CB C 62.24 0.20 1 449 240 41 SER N N 115.39 0.30 1 450 241 42 SER H H 7.98 0.03 1 451 241 42 SER HA H 4.25 0.03 1 452 241 42 SER HB3 H 3.81 0.03 2 453 241 42 SER C C 176.67 0.20 1 454 241 42 SER CA C 58.16 0.20 1 455 241 42 SER CB C 62.91 0.20 1 456 241 42 SER N N 122.65 0.30 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D HCACO' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_4 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MRG15 _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 1 153 2 ASN HA H 4.70 0.03 1 2 153 2 ASN HB2 H 2.70 0.03 2 3 153 2 ASN HB3 H 2.78 0.03 2 4 153 2 ASN C C 172.74 0.20 1 5 153 2 ASN CA C 51.38 0.20 1 6 153 2 ASN CB C 37.06 0.20 1 7 154 3 ALA H H 8.27 0.03 1 8 154 3 ALA HA H 4.23 0.03 1 9 154 3 ALA HB H 1.29 0.03 1 10 154 3 ALA C C 175.15 0.20 1 11 154 3 ALA CA C 50.56 0.20 1 12 154 3 ALA CB C 17.40 0.20 1 13 154 3 ALA N N 123.95 0.30 1 14 155 4 GLU H H 8.16 0.03 1 15 155 4 GLU HA H 4.12 0.03 1 16 155 4 GLU HB3 H 1.86 0.03 2 17 155 4 GLU HG3 H 2.11 0.03 2 18 155 4 GLU C C 174.17 0.20 1 19 155 4 GLU CA C 54.55 0.20 1 20 155 4 GLU CB C 28.71 0.20 1 21 155 4 GLU CG C 34.35 0.20 1 22 155 4 GLU N N 119.35 0.30 1 23 156 5 VAL H H 8.00 0.03 1 24 156 5 VAL HA H 3.97 0.03 1 25 156 5 VAL HB H 2.01 0.03 1 26 156 5 VAL HG1 H 0.87 0.03 2 27 156 5 VAL HG2 H 0.86 0.03 2 28 156 5 VAL C C 173.31 0.20 1 29 156 5 VAL CA C 60.44 0.20 1 30 156 5 VAL CB C 30.45 0.20 1 31 156 5 VAL CG1 C 19.28 0.20 2 32 156 5 VAL CG2 C 20.02 0.20 2 33 156 5 VAL N N 123.31 0.30 1 34 157 6 LYS H H 8.32 0.03 1 35 157 6 LYS HA H 4.30 0.03 1 36 157 6 LYS HB2 H 1.66 0.03 2 37 157 6 LYS HB3 H 1.73 0.03 2 38 157 6 LYS HG3 H 1.33 0.03 2 39 157 6 LYS HD3 H 1.59 0.03 2 40 157 6 LYS HE2 H 2.67 0.03 2 41 157 6 LYS HE3 H 2.78 0.03 2 42 157 6 LYS C C 173.34 0.20 1 43 157 6 LYS CA C 54.12 0.20 1 44 157 6 LYS CB C 31.84 0.20 1 45 157 6 LYS CG C 23.13 0.20 1 46 157 6 LYS CD C 27.23 0.20 1 47 157 6 LYS CE C 39.90 0.20 1 48 157 6 LYS N N 124.96 0.30 1 49 158 7 VAL H H 7.90 0.03 1 50 158 7 VAL HA H 4.40 0.03 1 51 158 7 VAL HB H 2.03 0.03 1 52 158 7 VAL HG1 H 0.83 0.03 2 53 158 7 VAL HG2 H 0.74 0.03 2 54 158 7 VAL C C 173.54 0.20 1 55 158 7 VAL CA C 59.53 0.20 1 56 158 7 VAL CB C 30.30 0.20 1 57 158 7 VAL CG1 C 19.46 0.20 2 58 158 7 VAL CG2 C 19.94 0.20 2 59 158 7 VAL N N 122.80 0.30 1 60 159 8 LYS HA H 4.25 0.03 1 61 159 8 LYS HB3 H 1.54 0.03 2 62 159 8 LYS HG2 H 1.16 0.03 2 63 159 8 LYS HG3 H 1.30 0.03 2 64 159 8 LYS HD3 H 1.52 0.03 2 65 159 8 LYS HE3 H 2.86 0.03 2 66 159 8 LYS C C 173.60 0.20 1 67 159 8 LYS CA C 53.74 0.20 1 68 159 8 LYS CB C 30.27 0.20 1 69 159 8 LYS CG C 23.15 0.20 1 70 159 8 LYS CD C 27.31 0.20 1 71 159 8 LYS CE C 40.10 0.20 1 72 160 9 ILE H H 8.56 0.03 1 73 160 9 ILE HA H 4.20 0.03 1 74 160 9 ILE HB H 1.87 0.03 1 75 160 9 ILE HG12 H 1.47 0.03 2 76 160 9 ILE HG2 H 0.85 0.03 1 77 160 9 ILE HD1 H 0.71 0.03 1 78 160 9 ILE CA C 55.50 0.20 1 79 160 9 ILE CB C 35.45 0.20 1 80 160 9 ILE CG1 C 25.72 0.20 1 81 160 9 ILE CG2 C 14.70 0.20 1 82 160 9 ILE CD1 C 8.86 0.20 1 83 160 9 ILE N N 127.51 0.30 1 84 161 10 PRO HA H 4.32 0.03 1 85 161 10 PRO HB2 H 1.58 0.03 2 86 161 10 PRO HB3 H 2.55 0.03 2 87 161 10 PRO C C 175.25 0.20 1 88 161 10 PRO CA C 61.61 0.20 1 89 161 10 PRO CB C 31.07 0.20 1 90 162 11 GLU H H 8.97 0.03 1 91 162 11 GLU HA H 3.75 0.03 1 92 162 11 GLU HB2 H 1.95 0.03 2 93 162 11 GLU HB3 H 2.05 0.03 2 94 162 11 GLU HG3 H 2.40 0.03 2 95 162 11 GLU C C 177.27 0.20 1 96 162 11 GLU CA C 57.78 0.20 1 97 162 11 GLU CB C 27.57 0.20 1 98 162 11 GLU CG C 34.04 0.20 1 99 162 11 GLU N N 124.59 0.30 1 100 163 12 GLU H H 10.14 0.03 1 101 163 12 GLU HA H 4.07 0.03 1 102 163 12 GLU HB2 H 1.92 0.03 2 103 163 12 GLU HB3 H 2.04 0.03 2 104 163 12 GLU HG3 H 2.36 0.03 2 105 163 12 GLU C C 175.78 0.20 1 106 163 12 GLU CA C 57.55 0.20 1 107 163 12 GLU CB C 27.62 0.20 1 108 163 12 GLU CG C 34.94 0.20 1 109 163 12 GLU N N 116.03 0.30 1 110 164 13 LEU H H 7.75 0.03 1 111 164 13 LEU HA H 4.47 0.03 1 112 164 13 LEU HB2 H 1.41 0.03 2 113 164 13 LEU HB3 H 1.62 0.03 2 114 164 13 LEU HG H 1.32 0.03 1 115 164 13 LEU HD1 H 0.76 0.03 2 116 164 13 LEU HD2 H 0.52 0.03 2 117 164 13 LEU C C 174.81 0.20 1 118 164 13 LEU CA C 52.56 0.20 1 119 164 13 LEU CB C 41.10 0.20 1 120 164 13 LEU CG C 25.55 0.20 1 121 164 13 LEU CD1 C 24.23 0.20 2 122 164 13 LEU CD2 C 21.38 0.20 2 123 164 13 LEU N N 114.62 0.30 1 124 165 14 LYS H H 7.33 0.03 1 125 165 14 LYS HA H 3.96 0.03 1 126 165 14 LYS HB2 H 1.87 0.03 2 127 165 14 LYS HB3 H 1.99 0.03 2 128 165 14 LYS HG2 H 1.45 0.03 2 129 165 14 LYS HG3 H 1.65 0.03 2 130 165 14 LYS C C 176.35 0.20 1 131 165 14 LYS CA C 60.70 0.20 1 132 165 14 LYS CB C 28.30 0.20 1 133 165 14 LYS N N 120.04 0.30 1 134 166 15 PRO HD2 H 3.51 0.03 2 135 166 15 PRO HD3 H 3.77 0.03 2 136 167 16 TRP HA H 4.34 0.03 1 137 167 16 TRP HE3 H 7.68 0.03 1 138 167 16 TRP HZ3 H 7.02 0.03 1 139 167 16 TRP CA C 57.64 0.20 1 140 168 17 LEU H H 7.40 0.03 1 141 168 17 LEU HA H 3.67 0.03 1 142 168 17 LEU HB2 H 1.48 0.03 2 143 168 17 LEU HB3 H 2.12 0.03 2 144 168 17 LEU HG H 1.78 0.03 1 145 168 17 LEU HD1 H 1.02 0.03 2 146 168 17 LEU HD2 H 0.86 0.03 2 147 168 17 LEU C C 174.79 0.20 1 148 168 17 LEU CA C 64.67 0.20 1 149 168 17 LEU CB C 40.11 0.20 1 150 168 17 LEU CG C 26.25 0.20 1 151 168 17 LEU CD1 C 21.87 0.20 2 152 168 17 LEU CD2 C 24.83 0.20 2 153 168 17 LEU N N 118.29 0.30 1 154 169 18 VAL HA H 3.68 0.03 1 155 169 18 VAL HB H 2.10 0.03 1 156 169 18 VAL HG1 H 1.03 0.03 2 157 169 18 VAL HG2 H 0.88 0.03 2 158 169 18 VAL CG1 C 19.94 0.20 2 159 169 18 VAL CG2 C 21.49 0.20 2 160 170 19 ASP HA H 4.28 0.03 1 161 170 19 ASP C C 175.69 0.20 1 162 170 19 ASP CA C 56.00 0.20 1 163 170 19 ASP CB C 37.70 0.20 1 164 171 20 ASP H H 7.97 0.03 1 165 171 20 ASP HA H 3.98 0.03 1 166 171 20 ASP HB3 H 2.72 0.03 2 167 171 20 ASP C C 172.91 0.20 1 168 171 20 ASP CA C 55.50 0.20 1 169 171 20 ASP CB C 41.08 0.20 1 170 171 20 ASP N N 119.06 0.30 1 171 172 21 TRP H H 7.44 0.03 1 172 172 21 TRP HA H 3.96 0.03 1 173 172 21 TRP HB2 H 3.65 0.03 2 174 172 21 TRP HB3 H 3.74 0.03 2 175 172 21 TRP HD1 H 7.25 0.03 1 176 172 21 TRP HE1 H 9.95 0.03 1 177 172 21 TRP HE3 H 7.88 0.03 1 178 172 21 TRP HZ2 H 7.38 0.03 1 179 172 21 TRP HZ3 H 7.00 0.03 1 180 172 21 TRP HH2 H 7.08 0.03 1 181 172 21 TRP C C 177.27 0.20 1 182 172 21 TRP CA C 59.18 0.20 1 183 172 21 TRP CD1 C 125.48 0.20 1 184 172 21 TRP N N 117.69 0.30 1 185 172 21 TRP NE1 N 129.63 0.30 1 186 173 22 ASP H H 8.98 0.03 1 187 173 22 ASP HA H 3.35 0.03 1 188 173 22 ASP HB2 H 2.67 0.03 2 189 173 22 ASP HB3 H 2.75 0.03 2 190 173 22 ASP C C 176.42 0.20 1 191 173 22 ASP CA C 56.01 0.20 1 192 173 22 ASP CB C 41.55 0.20 1 193 173 22 ASP N N 122.91 0.30 1 194 174 23 LEU H H 9.03 0.03 1 195 174 23 LEU HA H 3.39 0.03 1 196 174 23 LEU HB2 H 0.65 0.03 2 197 174 23 LEU HB3 H 1.73 0.03 2 198 174 23 LEU HG H 1.42 0.03 1 199 174 23 LEU HD1 H 0.46 0.03 2 200 174 23 LEU HD2 H -0.09 0.03 2 201 174 23 LEU C C 175.52 0.20 1 202 174 23 LEU CA C 56.67 0.20 1 203 174 23 LEU CB C 40.25 0.20 1 204 174 23 LEU CG C 25.55 0.20 1 205 174 23 LEU CD1 C 21.80 0.20 2 206 174 23 LEU CD2 C 21.86 0.20 2 207 174 23 LEU N N 121.71 0.30 1 208 175 24 ILE H H 7.66 0.03 1 209 175 24 ILE HA H 4.61 0.03 1 210 175 24 ILE HB H 1.75 0.03 1 211 175 24 ILE HG12 H 2.22 0.03 2 212 175 24 ILE HG13 H 1.63 0.03 2 213 175 24 ILE HG2 H 1.12 0.03 1 214 175 24 ILE HD1 H 1.33 0.03 1 215 175 24 ILE C C 176.22 0.20 1 216 175 24 ILE CA C 59.56 0.20 1 217 175 24 ILE CB C 35.97 0.20 1 218 175 24 ILE CG1 C 25.59 0.20 1 219 175 24 ILE CG2 C 17.52 0.20 1 220 175 24 ILE CD1 C 10.07 0.20 1 221 175 24 ILE N N 113.93 0.30 1 222 176 25 THR H H 7.89 0.03 1 223 176 25 THR HA H 3.75 0.03 1 224 176 25 THR HB H 3.76 0.03 1 225 176 25 THR HG1 H 2.64 0.03 1 226 176 25 THR HG2 H 0.80 0.03 1 227 176 25 THR C C 174.36 0.20 1 228 176 25 THR CA C 62.62 0.20 1 229 176 25 THR CB C 67.84 0.20 1 230 176 25 THR CG2 C 19.16 0.20 1 231 176 25 THR N N 122.84 0.30 1 232 177 26 ARG H H 7.37 0.03 1 233 177 26 ARG HA H 4.32 0.03 1 234 177 26 ARG HB2 H 1.65 0.03 2 235 177 26 ARG HB3 H 1.78 0.03 2 236 177 26 ARG HG3 H 1.06 0.03 2 237 177 26 ARG HD2 H 2.75 0.03 2 238 177 26 ARG HD3 H 2.94 0.03 2 239 177 26 ARG C C 175.89 0.20 1 240 177 26 ARG CA C 55.96 0.20 1 241 177 26 ARG CB C 28.85 0.20 1 242 177 26 ARG CG C 25.80 0.20 1 243 177 26 ARG CD C 41.21 0.20 1 244 177 26 ARG N N 120.65 0.30 1 245 178 27 GLN H H 8.09 0.03 1 246 178 27 GLN HA H 4.10 0.03 1 247 178 27 GLN HB2 H 2.08 0.03 2 248 178 27 GLN HB3 H 2.28 0.03 2 249 178 27 GLN HG2 H 2.00 0.03 2 250 178 27 GLN HG3 H 2.14 0.03 2 251 178 27 GLN HE21 H 6.59 0.03 2 252 178 27 GLN HE22 H 7.76 0.03 2 253 178 27 GLN C C 173.33 0.20 1 254 178 27 GLN CA C 54.85 0.20 1 255 178 27 GLN CB C 26.75 0.20 1 256 178 27 GLN CG C 32.28 0.20 1 257 178 27 GLN N N 115.23 0.30 1 258 178 27 GLN NE2 N 114.10 0.30 1 259 179 28 LYS H H 6.68 0.03 1 260 179 28 LYS HA H 3.60 0.03 1 261 179 28 LYS HB2 H 1.57 0.03 2 262 179 28 LYS HB3 H 2.03 0.03 2 263 179 28 LYS HG2 H 0.62 0.03 2 264 179 28 LYS HG3 H 0.92 0.03 2 265 179 28 LYS HD2 H 0.81 0.03 2 266 179 28 LYS HD3 H 1.10 0.03 2 267 179 28 LYS HE3 H 2.67 0.03 2 268 179 28 LYS C C 173.69 0.20 1 269 179 28 LYS CA C 54.37 0.20 1 270 179 28 LYS CB C 25.91 0.20 1 271 179 28 LYS CG C 22.45 0.20 1 272 179 28 LYS CD C 26.02 0.20 1 273 179 28 LYS CE C 40.60 0.20 1 274 179 28 LYS N N 112.39 0.30 1 275 180 29 GLN H H 8.52 0.03 1 276 180 29 GLN HA H 4.81 0.03 1 277 180 29 GLN HB3 H 1.85 0.03 2 278 180 29 GLN HG3 H 2.23 0.03 2 279 180 29 GLN HE21 H 6.07 0.03 2 280 180 29 GLN HE22 H 6.47 0.03 2 281 180 29 GLN C C 170.83 0.20 1 282 180 29 GLN CA C 53.07 0.20 1 283 180 29 GLN CB C 27.67 0.20 1 284 180 29 GLN CG C 32.82 0.20 1 285 180 29 GLN N N 118.27 0.30 1 286 180 29 GLN NE2 N 106.09 0.30 1 287 181 30 LEU H H 8.38 0.03 1 288 181 30 LEU HA H 4.96 0.03 1 289 181 30 LEU HB3 H 1.45 0.03 2 290 181 30 LEU HG H 1.27 0.03 1 291 181 30 LEU HD1 H 0.84 0.03 2 292 181 30 LEU HD2 H -0.10 0.03 2 293 181 30 LEU C C 175.59 0.20 1 294 181 30 LEU CA C 50.80 0.20 1 295 181 30 LEU CB C 44.91 0.20 1 296 181 30 LEU CG C 25.00 0.20 1 297 181 30 LEU CD1 C 21.38 0.20 2 298 181 30 LEU CD2 C 22.93 0.20 2 299 181 30 LEU N N 112.75 0.30 1 300 182 31 PHE H H 9.85 0.03 1 301 182 31 PHE HA H 3.77 0.03 1 302 182 31 PHE HB2 H 2.61 0.03 2 303 182 31 PHE HB3 H 3.08 0.03 2 304 182 31 PHE HD2 H 7.46 0.03 3 305 182 31 PHE HE2 H 7.41 0.03 3 306 182 31 PHE HZ H 7.52 0.03 1 307 182 31 PHE C C 172.88 0.20 1 308 182 31 PHE CA C 57.13 0.20 1 309 182 31 PHE CB C 38.38 0.20 1 310 182 31 PHE N N 126.29 0.30 1 311 183 32 TYR H H 7.87 0.03 1 312 183 32 TYR HA H 3.92 0.03 1 313 183 32 TYR HB2 H 2.42 0.03 2 314 183 32 TYR HB3 H 2.60 0.03 2 315 183 32 TYR HD1 H 6.89 0.03 3 316 183 32 TYR HE1 H 6.69 0.03 3 317 183 32 TYR C C 171.29 0.20 1 318 183 32 TYR CA C 58.00 0.20 1 319 183 32 TYR CB C 35.54 0.20 1 320 183 32 TYR CD1 C 131.49 0.20 1 321 183 32 TYR CE1 C 116.12 0.20 1 322 183 32 TYR N N 128.01 0.30 1 323 184 33 LEU H H 6.93 0.03 1 324 184 33 LEU HA H 4.43 0.03 1 325 184 33 LEU HB2 H 0.62 0.03 2 326 184 33 LEU HB3 H 1.27 0.03 2 327 184 33 LEU HG H 1.64 0.03 1 328 184 33 LEU HD1 H 0.49 0.03 2 329 184 33 LEU HD2 H 0.30 0.03 2 330 184 33 LEU C C 173.43 0.20 1 331 184 33 LEU CA C 48.89 0.20 1 332 184 33 LEU CB C 43.26 0.20 1 333 184 33 LEU CG C 24.04 0.20 1 334 184 33 LEU CD1 C 22.30 0.20 2 335 184 33 LEU CD2 C 25.54 0.20 2 336 184 33 LEU N N 125.83 0.30 1 337 185 34 PRO HA H 4.11 0.03 1 338 185 34 PRO HB3 H 2.12 0.03 2 339 185 34 PRO HG2 H 1.48 0.03 2 340 185 34 PRO HG3 H 1.92 0.03 2 341 185 34 PRO HD3 H 3.37 0.03 2 342 185 34 PRO C C 173.44 0.20 1 343 185 34 PRO CA C 60.18 0.20 1 344 185 34 PRO CB C 32.47 0.20 1 345 185 34 PRO CG C 23.88 0.20 1 346 185 34 PRO CD C 48.30 0.20 1 347 186 35 ALA H H 9.22 0.03 1 348 186 35 ALA HA H 4.44 0.03 1 349 186 35 ALA HB H 1.16 0.03 1 350 186 35 ALA C C 176.08 0.20 1 351 186 35 ALA CA C 50.22 0.20 1 352 186 35 ALA CB C 17.08 0.20 1 353 186 35 ALA N N 124.76 0.30 1 354 187 36 LYS H H 8.59 0.03 1 355 187 36 LYS HA H 4.00 0.03 1 356 187 36 LYS HB2 H 1.68 0.03 2 357 187 36 LYS HB3 H 1.78 0.03 2 358 187 36 LYS HG2 H 1.37 0.03 2 359 187 36 LYS HG3 H 1.45 0.03 2 360 187 36 LYS HD3 H 1.68 0.03 2 361 187 36 LYS HE3 H 2.96 0.03 2 362 187 36 LYS C C 175.41 0.20 1 363 187 36 LYS CA C 56.82 0.20 1 364 187 36 LYS CB C 30.33 0.20 1 365 187 36 LYS CG C 23.10 0.20 1 366 187 36 LYS CD C 27.23 0.20 1 367 187 36 LYS CE C 40.14 0.20 1 368 187 36 LYS N N 122.71 0.30 1 369 188 37 LYS H H 8.12 0.03 1 370 188 37 LYS HA H 4.59 0.03 1 371 188 37 LYS HB2 H 1.68 0.03 2 372 188 37 LYS HB3 H 1.87 0.03 2 373 188 37 LYS HG2 H 1.14 0.03 2 374 188 37 LYS HG3 H 1.25 0.03 2 375 188 37 LYS HD2 H 1.54 0.03 2 376 188 37 LYS HD3 H 1.68 0.03 2 377 188 37 LYS HE2 H 2.50 0.03 2 378 188 37 LYS HE3 H 2.78 0.03 2 379 188 37 LYS C C 172.33 0.20 1 380 188 37 LYS CA C 52.12 0.20 1 381 188 37 LYS CB C 31.07 0.20 1 382 188 37 LYS CG C 22.96 0.20 1 383 188 37 LYS CD C 27.48 0.20 1 384 188 37 LYS CE C 40.38 0.20 1 385 188 37 LYS N N 120.82 0.30 1 386 189 38 ASN H H 8.40 0.03 1 387 189 38 ASN HA H 4.83 0.03 1 388 189 38 ASN HB2 H 2.55 0.03 2 389 189 38 ASN HB3 H 3.43 0.03 2 390 189 38 ASN C C 172.97 0.20 1 391 189 38 ASN CA C 49.78 0.20 1 392 189 38 ASN CB C 37.29 0.20 1 393 189 38 ASN N N 122.33 0.30 1 394 190 39 VAL H H 7.85 0.03 1 395 190 39 VAL HA H 3.23 0.03 1 396 190 39 VAL HB H 2.15 0.03 1 397 190 39 VAL HG1 H 0.36 0.03 2 398 190 39 VAL HG2 H 0.16 0.03 2 399 190 39 VAL C C 175.30 0.20 1 400 190 39 VAL CA C 66.24 0.20 1 401 190 39 VAL CB C 28.99 0.20 1 402 190 39 VAL CG1 C 19.52 0.20 2 403 190 39 VAL CG2 C 22.01 0.20 2 404 190 39 VAL N N 120.06 0.30 1 405 191 40 ASP H H 7.80 0.03 1 406 191 40 ASP HA H 4.04 0.03 1 407 191 40 ASP HB3 H 2.47 0.03 2 408 191 40 ASP C C 176.64 0.20 1 409 191 40 ASP CA C 56.70 0.20 1 410 191 40 ASP CB C 38.09 0.20 1 411 191 40 ASP N N 118.91 0.30 1 412 192 41 SER H H 8.39 0.03 1 413 192 41 SER HA H 4.22 0.03 1 414 192 41 SER HB3 H 4.02 0.03 2 415 192 41 SER C C 174.49 0.20 1 416 192 41 SER CA C 59.45 0.20 1 417 192 41 SER CB C 61.55 0.20 1 418 192 41 SER N N 115.19 0.30 1 419 193 42 ILE H H 8.05 0.03 1 420 193 42 ILE HA H 3.73 0.03 1 421 193 42 ILE HB H 1.81 0.03 1 422 193 42 ILE HG12 H 1.85 0.03 2 423 193 42 ILE HG13 H 0.75 0.03 2 424 193 42 ILE HG2 H 0.97 0.03 1 425 193 42 ILE HD1 H 0.63 0.03 1 426 193 42 ILE C C 176.17 0.20 1 427 193 42 ILE CA C 63.78 0.20 1 428 193 42 ILE CB C 36.97 0.20 1 429 193 42 ILE CG2 C 15.45 0.20 1 430 193 42 ILE CD1 C 12.55 0.20 1 431 193 42 ILE N N 122.85 0.30 1 432 194 43 LEU H H 8.47 0.03 1 433 194 43 LEU HA H 4.05 0.03 1 434 194 43 LEU HB2 H 1.44 0.03 2 435 194 43 LEU HB3 H 1.97 0.03 2 436 194 43 LEU HG H 1.78 0.03 1 437 194 43 LEU HD1 H 0.75 0.03 2 438 194 43 LEU HD2 H 0.59 0.03 2 439 194 43 LEU C C 176.66 0.20 1 440 194 43 LEU CA C 56.25 0.20 1 441 194 43 LEU CB C 39.27 0.20 1 442 194 43 LEU CD1 C 24.86 0.20 2 443 194 43 LEU CD2 C 21.44 0.20 2 444 194 43 LEU N N 118.03 0.30 1 445 195 44 GLU H H 7.92 0.03 1 446 195 44 GLU HA H 4.03 0.03 1 447 195 44 GLU HB3 H 2.10 0.03 2 448 195 44 GLU HG3 H 2.25 0.03 2 449 195 44 GLU C C 176.83 0.20 1 450 195 44 GLU CA C 57.27 0.20 1 451 195 44 GLU CB C 27.65 0.20 1 452 195 44 GLU CG C 34.20 0.20 1 453 195 44 GLU N N 120.03 0.30 1 454 196 45 ASP H H 8.41 0.03 1 455 196 45 ASP HA H 4.36 0.03 1 456 196 45 ASP HB2 H 2.87 0.03 2 457 196 45 ASP HB3 H 3.17 0.03 2 458 196 45 ASP C C 178.03 0.20 1 459 196 45 ASP CA C 55.26 0.20 1 460 196 45 ASP CB C 37.71 0.20 1 461 196 45 ASP N N 120.51 0.30 1 462 197 46 TYR H H 8.39 0.03 1 463 197 46 TYR HA H 3.38 0.03 1 464 197 46 TYR HB2 H 2.58 0.03 2 465 197 46 TYR HB3 H 2.96 0.03 2 466 197 46 TYR HD2 H 6.44 0.03 3 467 197 46 TYR C C 174.38 0.20 1 468 197 46 TYR CA C 58.91 0.20 1 469 197 46 TYR CB C 36.26 0.20 1 470 197 46 TYR N N 122.44 0.30 1 471 198 47 ALA H H 8.44 0.03 1 472 198 47 ALA HA H 3.54 0.03 1 473 198 47 ALA HB H 1.42 0.03 1 474 198 47 ALA C C 178.24 0.20 1 475 198 47 ALA CA C 53.55 0.20 1 476 198 47 ALA CB C 15.86 0.20 1 477 198 47 ALA N N 122.31 0.30 1 478 199 48 ASN H H 8.34 0.03 1 479 199 48 ASN HA H 4.39 0.03 1 480 199 48 ASN HB2 H 2.78 0.03 2 481 199 48 ASN HB3 H 2.86 0.03 2 482 199 48 ASN HD21 H 7.12 0.03 2 483 199 48 ASN HD22 H 7.77 0.03 2 484 199 48 ASN C C 176.04 0.20 1 485 199 48 ASN CA C 54.09 0.20 1 486 199 48 ASN CB C 36.19 0.20 1 487 199 48 ASN N N 115.86 0.30 1 488 199 48 ASN ND2 N 113.82 0.30 1 489 200 49 TYR H H 8.33 0.03 1 490 200 49 TYR HA H 4.28 0.03 1 491 200 49 TYR HB2 H 3.10 0.03 2 492 200 49 TYR HB3 H 3.24 0.03 2 493 200 49 TYR HD2 H 7.07 0.03 3 494 200 49 TYR HE2 H 6.96 0.03 3 495 200 49 TYR C C 176.26 0.20 1 496 200 49 TYR CA C 58.68 0.20 1 497 200 49 TYR CB C 36.04 0.20 1 498 200 49 TYR N N 124.50 0.30 1 499 201 50 ARG H H 8.37 0.03 1 500 201 50 ARG HA H 3.56 0.03 1 501 201 50 ARG HB2 H 1.59 0.03 2 502 201 50 ARG HB3 H 1.67 0.03 2 503 201 50 ARG HG3 H 1.24 0.03 2 504 201 50 ARG HD2 H 3.03 0.03 2 505 201 50 ARG HD3 H 3.21 0.03 2 506 201 50 ARG C C 176.85 0.20 1 507 201 50 ARG CA C 55.34 0.20 1 508 201 50 ARG CB C 27.02 0.20 1 509 201 50 ARG CG C 24.81 0.20 1 510 201 50 ARG CD C 39.77 0.20 1 511 201 50 ARG N N 119.33 0.30 1 512 202 51 LYS H H 7.94 0.03 1 513 202 51 LYS HA H 4.01 0.03 1 514 202 51 LYS HB3 H 1.85 0.03 2 515 202 51 LYS HG2 H 1.39 0.03 2 516 202 51 LYS HG3 H 1.54 0.03 2 517 202 51 LYS HD3 H 1.62 0.03 2 518 202 51 LYS HE3 H 2.83 0.03 2 519 202 51 LYS C C 176.09 0.20 1 520 202 51 LYS CA C 56.96 0.20 1 521 202 51 LYS CB C 30.59 0.20 1 522 202 51 LYS CG C 23.85 0.20 1 523 202 51 LYS CE C 40.14 0.20 1 524 202 51 LYS N N 118.54 0.30 1 525 203 52 SER H H 7.70 0.03 1 526 203 52 SER HA H 4.32 0.03 1 527 203 52 SER HB3 H 3.93 0.03 2 528 203 52 SER C C 172.90 0.20 1 529 203 52 SER CA C 57.87 0.20 1 530 203 52 SER CB C 61.70 0.20 1 531 203 52 SER N N 113.88 0.30 1 532 204 53 ARG H H 7.45 0.03 1 533 204 53 ARG HA H 4.24 0.03 1 534 204 53 ARG HB2 H 1.56 0.03 2 535 204 53 ARG HB3 H 1.82 0.03 2 536 204 53 ARG HG3 H 1.43 0.03 2 537 204 53 ARG HD2 H 2.79 0.03 2 538 204 53 ARG HD3 H 2.84 0.03 2 539 204 53 ARG C C 174.81 0.20 1 540 204 53 ARG CA C 54.27 0.20 1 541 204 53 ARG CB C 28.70 0.20 1 542 204 53 ARG CG C 24.74 0.20 1 543 204 53 ARG CD C 41.02 0.20 1 544 204 53 ARG N N 120.85 0.30 1 545 205 54 GLY H H 7.93 0.03 1 546 205 54 GLY HA3 H 3.91 0.03 2 547 205 54 GLY C C 171.91 0.20 1 548 205 54 GLY CA C 43.57 0.20 1 549 205 54 GLY N N 107.95 0.30 1 550 206 55 ASN H H 8.33 0.03 1 551 206 55 ASN HA H 4.76 0.03 1 552 206 55 ASN HB2 H 2.75 0.03 2 553 206 55 ASN HB3 H 2.81 0.03 2 554 206 55 ASN C C 173.81 0.20 1 555 206 55 ASN CA C 51.43 0.20 1 556 206 55 ASN CB C 37.09 0.20 1 557 206 55 ASN N N 118.38 0.30 1 558 207 56 THR HA H 4.27 0.03 1 559 207 56 THR HB H 4.26 0.03 1 560 207 56 THR HG2 H 1.16 0.03 1 561 207 56 THR C C 172.56 0.20 1 562 207 56 THR CA C 60.42 0.20 1 563 207 56 THR CB C 67.75 0.20 1 564 207 56 THR CG2 C 19.84 0.20 1 565 208 57 ASP H H 8.35 0.03 1 566 208 57 ASP HA H 4.55 0.03 1 567 208 57 ASP HB3 H 2.67 0.03 2 568 208 57 ASP C C 174.17 0.20 1 569 208 57 ASP CA C 52.67 0.20 1 570 208 57 ASP CB C 39.12 0.20 1 571 208 57 ASP N N 121.18 0.30 1 572 209 58 ASN H H 8.28 0.03 1 573 209 58 ASN HA H 4.60 0.03 1 574 209 58 ASN HB2 H 2.77 0.03 2 575 209 58 ASN HB3 H 2.86 0.03 2 576 209 58 ASN HD21 H 6.91 0.03 2 577 209 58 ASN HD22 H 7.56 0.03 2 578 209 58 ASN C C 173.67 0.20 1 579 209 58 ASN CA C 52.11 0.20 1 580 209 58 ASN CB C 36.73 0.20 1 581 209 58 ASN N N 117.67 0.30 1 582 209 58 ASN ND2 N 112.43 0.30 1 583 210 59 LYS H H 8.21 0.03 1 584 210 59 LYS HA H 4.27 0.03 1 585 210 59 LYS HB3 H 1.78 0.03 2 586 210 59 LYS HG2 H 1.37 0.03 2 587 210 59 LYS HG3 H 1.44 0.03 2 588 210 59 LYS HD3 H 1.66 0.03 2 589 210 59 LYS HE3 H 2.96 0.03 2 590 210 59 LYS C C 174.91 0.20 1 591 210 59 LYS CA C 54.90 0.20 1 592 210 59 LYS CB C 30.67 0.20 1 593 210 59 LYS CG C 23.11 0.20 1 594 210 59 LYS CD C 27.26 0.20 1 595 210 59 LYS N N 120.38 0.30 1 596 211 60 GLU H H 8.38 0.03 1 597 211 60 GLU HA H 4.07 0.03 1 598 211 60 GLU HB3 H 1.97 0.03 2 599 211 60 GLU HG3 H 2.16 0.03 2 600 211 60 GLU C C 174.81 0.20 1 601 211 60 GLU CA C 55.94 0.20 1 602 211 60 GLU CB C 27.70 0.20 1 603 211 60 GLU CG C 34.45 0.20 1 604 211 60 GLU N N 120.74 0.30 1 605 212 61 TYR H H 7.94 0.03 1 606 212 61 TYR HA H 4.38 0.03 1 607 212 61 TYR HB2 H 2.96 0.03 2 608 212 61 TYR HB3 H 3.09 0.03 2 609 212 61 TYR HD2 H 7.07 0.03 3 610 212 61 TYR HE2 H 6.77 0.03 3 611 212 61 TYR C C 174.83 0.20 1 612 212 61 TYR CA C 57.42 0.20 1 613 212 61 TYR CB C 36.53 0.20 1 614 212 61 TYR N N 119.43 0.30 1 615 213 62 ALA HA H 4.26 0.03 1 616 213 62 ALA HB H 1.30 0.03 1 617 213 62 ALA C C 176.63 0.20 1 618 213 62 ALA CA C 51.99 0.20 1 619 213 62 ALA CB C 16.45 0.20 1 620 214 63 VAL HA H 3.47 0.03 1 621 214 63 VAL HB H 2.10 0.03 1 622 214 63 VAL HG1 H 1.01 0.03 2 623 214 63 VAL HG2 H 0.90 0.03 2 624 214 63 VAL C C 174.98 0.20 1 625 214 63 VAL CA C 64.19 0.20 1 626 214 63 VAL CB C 29.82 0.20 1 627 214 63 VAL CG1 C 21.84 0.20 2 628 214 63 VAL CG2 C 19.26 0.20 2 629 215 64 ASN H H 8.19 0.03 1 630 215 64 ASN HA H 4.30 0.03 1 631 215 64 ASN HB2 H 2.70 0.03 2 632 215 64 ASN HB3 H 2.81 0.03 2 633 215 64 ASN HD21 H 6.97 0.03 2 634 215 64 ASN HD22 H 7.57 0.03 2 635 215 64 ASN C C 176.32 0.20 1 636 215 64 ASN CA C 54.19 0.20 1 637 215 64 ASN CB C 35.36 0.20 1 638 215 64 ASN N N 117.46 0.30 1 639 215 64 ASN ND2 N 112.09 0.30 1 640 216 65 GLU H H 7.73 0.03 1 641 216 65 GLU HA H 4.00 0.03 1 642 216 65 GLU HB2 H 1.90 0.03 2 643 216 65 GLU HB3 H 2.16 0.03 2 644 216 65 GLU C C 177.24 0.20 1 645 216 65 GLU CA C 57.18 0.20 1 646 216 65 GLU CB C 28.40 0.20 1 647 216 65 GLU CG C 34.78 0.20 1 648 216 65 GLU N N 119.43 0.30 1 649 217 66 VAL H H 7.82 0.03 1 650 217 66 VAL HA H 3.53 0.03 1 651 217 66 VAL HB H 2.09 0.03 1 652 217 66 VAL HG1 H 0.93 0.03 2 653 217 66 VAL HG2 H 0.72 0.03 2 654 217 66 VAL C C 174.99 0.20 1 655 217 66 VAL CA C 64.31 0.20 1 656 217 66 VAL CB C 29.64 0.20 1 657 217 66 VAL CG1 C 19.07 0.20 2 658 217 66 VAL CG2 C 21.58 0.20 2 659 217 66 VAL N N 120.69 0.30 1 660 218 67 VAL H H 8.26 0.03 1 661 218 67 VAL HA H 3.50 0.03 1 662 218 67 VAL HB H 2.11 0.03 1 663 218 67 VAL HG1 H 1.10 0.03 2 664 218 67 VAL HG2 H 0.98 0.03 2 665 218 67 VAL C C 175.20 0.20 1 666 218 67 VAL CA C 64.96 0.20 1 667 218 67 VAL CB C 29.71 0.20 1 668 218 67 VAL CG1 C 20.04 0.20 2 669 218 67 VAL CG2 C 20.19 0.20 2 670 218 67 VAL N N 117.01 0.30 1 671 219 68 ALA H H 7.49 0.03 1 672 219 68 ALA HA H 3.93 0.03 1 673 219 68 ALA HB H 1.32 0.03 1 674 219 68 ALA C C 178.31 0.20 1 675 219 68 ALA CA C 53.04 0.20 1 676 219 68 ALA CB C 16.28 0.20 1 677 219 68 ALA N N 120.36 0.30 1 678 220 69 GLY H H 7.64 0.03 1 679 220 69 GLY HA2 H 1.98 0.03 2 680 220 69 GLY HA3 H 3.21 0.03 2 681 220 69 GLY C C 172.88 0.20 1 682 220 69 GLY CA C 44.13 0.20 1 683 220 69 GLY N N 106.25 0.30 1 684 221 70 ILE H H 8.13 0.03 1 685 221 70 ILE HA H 3.29 0.03 1 686 221 70 ILE HB H 1.56 0.03 1 687 221 70 ILE HG12 H 1.79 0.03 2 688 221 70 ILE HG13 H 0.69 0.03 2 689 221 70 ILE HG2 H 0.59 0.03 1 690 221 70 ILE HD1 H 0.37 0.03 1 691 221 70 ILE C C 175.10 0.20 1 692 221 70 ILE CA C 64.07 0.20 1 693 221 70 ILE CB C 35.26 0.20 1 694 221 70 ILE CG1 C 27.96 0.20 1 695 221 70 ILE CG2 C 16.09 0.20 1 696 221 70 ILE CD1 C 10.97 0.20 1 697 221 70 ILE N N 119.94 0.30 1 698 222 71 LYS H H 7.75 0.03 1 699 222 71 LYS HA H 3.43 0.03 1 700 222 71 LYS HB3 H 1.77 0.03 2 701 222 71 LYS HG3 H 1.31 0.03 2 702 222 71 LYS HE3 H 2.80 0.03 2 703 222 71 LYS C C 175.28 0.20 1 704 222 71 LYS CA C 59.27 0.20 1 705 222 71 LYS CB C 30.67 0.20 1 706 222 71 LYS CE C 39.79 0.20 1 707 222 71 LYS N N 118.80 0.30 1 708 223 72 GLU H H 7.83 0.03 1 709 223 72 GLU HA H 4.15 0.03 1 710 223 72 GLU HB3 H 1.99 0.03 2 711 223 72 GLU HG2 H 2.32 0.03 2 712 223 72 GLU HG3 H 2.42 0.03 2 713 223 72 GLU C C 177.33 0.20 1 714 223 72 GLU CA C 57.18 0.20 1 715 223 72 GLU CB C 27.67 0.20 1 716 223 72 GLU CG C 34.40 0.20 1 717 223 72 GLU N N 116.15 0.30 1 718 224 73 TYR H H 8.63 0.03 1 719 224 73 TYR HA H 4.48 0.03 1 720 224 73 TYR HB2 H 2.99 0.03 2 721 224 73 TYR HB3 H 3.22 0.03 2 722 224 73 TYR HD2 H 6.82 0.03 3 723 224 73 TYR HE2 H 6.50 0.03 3 724 224 73 TYR C C 175.68 0.20 1 725 224 73 TYR CA C 57.52 0.20 1 726 224 73 TYR CB C 36.94 0.20 1 727 224 73 TYR CE2 C 116.64 0.20 1 728 224 73 TYR N N 119.76 0.30 1 729 225 74 PHE H H 9.22 0.03 1 730 225 74 PHE HA H 3.41 0.03 1 731 225 74 PHE HB2 H 2.90 0.03 2 732 225 74 PHE HB3 H 3.23 0.03 2 733 225 74 PHE HD2 H 6.93 0.03 3 734 225 74 PHE HE2 H 6.88 0.03 3 735 225 74 PHE HZ H 6.80 0.03 1 736 225 74 PHE C C 173.93 0.20 1 737 225 74 PHE CA C 61.60 0.20 1 738 225 74 PHE CB C 36.59 0.20 1 739 225 74 PHE N N 120.09 0.30 1 740 226 75 ASN H H 8.21 0.03 1 741 226 75 ASN HA H 4.47 0.03 1 742 226 75 ASN HB2 H 2.92 0.03 2 743 226 75 ASN HB3 H 2.98 0.03 2 744 226 75 ASN HD21 H 6.68 0.03 2 745 226 75 ASN HD22 H 7.34 0.03 2 746 226 75 ASN C C 176.63 0.20 1 747 226 75 ASN CA C 54.16 0.20 1 748 226 75 ASN CB C 35.80 0.20 1 749 226 75 ASN N N 115.01 0.30 1 750 226 75 ASN ND2 N 109.24 0.30 1 751 227 76 VAL H H 7.43 0.03 1 752 227 76 VAL HA H 4.30 0.03 1 753 227 76 VAL HB H 2.18 0.03 1 754 227 76 VAL HG1 H 1.13 0.03 2 755 227 76 VAL HG2 H 1.00 0.03 2 756 227 76 VAL C C 174.96 0.20 1 757 227 76 VAL CA C 61.32 0.20 1 758 227 76 VAL CB C 30.67 0.20 1 759 227 76 VAL CG1 C 19.84 0.20 2 760 227 76 VAL CG2 C 20.03 0.20 2 761 227 76 VAL N N 115.12 0.30 1 762 228 77 MET H H 7.74 0.03 1 763 228 77 MET HA H 4.00 0.03 1 764 228 77 MET HB3 H 1.55 0.03 2 765 228 77 MET HG3 H 2.50 0.03 2 766 228 77 MET HE H 1.58 0.03 1 767 228 77 MET C C 176.27 0.20 1 768 228 77 MET CA C 54.03 0.20 1 769 228 77 MET CB C 31.51 0.20 1 770 228 77 MET CE C 15.26 0.20 1 771 228 77 MET N N 119.85 0.30 1 772 229 78 LEU H H 7.89 0.03 1 773 229 78 LEU HA H 3.15 0.03 1 774 229 78 LEU HB2 H 0.46 0.03 2 775 229 78 LEU HB3 H 1.07 0.03 2 776 229 78 LEU HG H 0.74 0.03 1 777 229 78 LEU HD1 H 0.00 0.03 2 778 229 78 LEU HD2 H -0.04 0.03 2 779 229 78 LEU C C 176.07 0.20 1 780 229 78 LEU CA C 55.86 0.20 1 781 229 78 LEU CB C 36.34 0.20 1 782 229 78 LEU CD1 C 21.47 0.20 2 783 229 78 LEU CD2 C 19.85 0.20 2 784 229 78 LEU N N 122.18 0.30 1 785 230 79 GLY H H 8.35 0.03 1 786 230 79 GLY HA2 H 2.86 0.03 2 787 230 79 GLY HA3 H 3.32 0.03 2 788 230 79 GLY C C 173.07 0.20 1 789 230 79 GLY CA C 43.15 0.20 1 790 230 79 GLY N N 118.39 0.30 1 791 231 80 THR H H 7.04 0.03 1 792 231 80 THR HA H 4.28 0.03 1 793 231 80 THR HB H 4.12 0.03 1 794 231 80 THR HG1 H 4.62 0.03 1 795 231 80 THR HG2 H 1.21 0.03 1 796 231 80 THR C C 173.26 0.20 1 797 231 80 THR CA C 60.03 0.20 1 798 231 80 THR CB C 68.54 0.20 1 799 231 80 THR CG2 C 20.64 0.20 1 800 231 80 THR N N 124.79 0.30 1 801 232 81 GLN H H 8.11 0.03 1 802 232 81 GLN HA H 5.09 0.03 1 803 232 81 GLN HB3 H 1.57 0.03 2 804 232 81 GLN HG3 H 2.27 0.03 2 805 232 81 GLN HE21 H 6.45 0.03 2 806 232 81 GLN HE22 H 7.71 0.03 2 807 232 81 GLN C C 175.79 0.20 1 808 232 81 GLN CA C 53.65 0.20 1 809 232 81 GLN CB C 30.52 0.20 1 810 232 81 GLN CG C 31.05 0.20 1 811 232 81 GLN N N 114.74 0.30 1 812 232 81 GLN NE2 N 112.17 0.30 1 813 233 82 LEU H H 6.98 0.03 1 814 233 82 LEU HA H 4.46 0.03 1 815 233 82 LEU HB3 H 1.30 0.03 2 816 233 82 LEU HD1 H 0.50 0.03 2 817 233 82 LEU HD2 H 0.45 0.03 2 818 233 82 LEU C C 172.61 0.20 1 819 233 82 LEU CA C 52.46 0.20 1 820 233 82 LEU CB C 39.14 0.20 1 821 233 82 LEU CD1 C 23.49 0.20 2 822 233 82 LEU CD2 C 20.40 0.20 2 823 233 82 LEU N N 112.48 0.30 1 824 234 83 LEU H H 7.56 0.03 1 825 234 83 LEU HA H 4.51 0.03 1 826 234 83 LEU HB3 H 1.51 0.03 2 827 234 83 LEU HG H 1.67 0.03 1 828 234 83 LEU HD1 H 0.59 0.03 2 829 234 83 LEU HD2 H 0.31 0.03 2 830 234 83 LEU C C 178.33 0.20 1 831 234 83 LEU CA C 51.90 0.20 1 832 234 83 LEU CB C 40.95 0.20 1 833 234 83 LEU CG C 22.98 0.20 1 834 234 83 LEU CD1 C 20.87 0.20 2 835 234 83 LEU CD2 C 24.87 0.20 2 836 234 83 LEU N N 115.86 0.30 1 837 235 84 TYR H H 9.75 0.03 1 838 235 84 TYR HA H 4.79 0.03 1 839 235 84 TYR HB2 H 3.02 0.03 2 840 235 84 TYR HB3 H 3.53 0.03 2 841 235 84 TYR HD2 H 7.41 0.03 3 842 235 84 TYR HE2 H 6.83 0.03 3 843 235 84 TYR C C 176.26 0.20 1 844 235 84 TYR CA C 57.75 0.20 1 845 235 84 TYR CB C 37.10 0.20 1 846 235 84 TYR CD2 C 132.38 0.20 1 847 235 84 TYR N N 125.85 0.30 1 848 236 85 LYS H H 9.34 0.03 1 849 236 85 LYS HA H 3.93 0.03 1 850 236 85 LYS HB2 H 1.95 0.03 2 851 236 85 LYS HB3 H 2.04 0.03 2 852 236 85 LYS HG3 H 1.50 0.03 2 853 236 85 LYS HD3 H 1.78 0.03 2 854 236 85 LYS HE3 H 3.03 0.03 2 855 236 85 LYS C C 178.28 0.20 1 856 236 85 LYS CA C 59.21 0.20 1 857 236 85 LYS CB C 30.43 0.20 1 858 236 85 LYS CG C 23.81 0.20 1 859 236 85 LYS CD C 27.80 0.20 1 860 236 85 LYS CE C 40.18 0.20 1 861 236 85 LYS N N 123.88 0.30 1 862 237 86 PHE H H 9.12 0.03 1 863 237 86 PHE HA H 4.46 0.03 1 864 237 86 PHE HB2 H 2.58 0.03 2 865 237 86 PHE HB3 H 3.50 0.03 2 866 237 86 PHE HD2 H 7.32 0.03 3 867 237 86 PHE HE2 H 7.04 0.03 3 868 237 86 PHE HZ H 6.79 0.03 1 869 237 86 PHE C C 173.93 0.20 1 870 237 86 PHE CA C 58.51 0.20 1 871 237 86 PHE CB C 38.37 0.20 1 872 237 86 PHE N N 117.15 0.30 1 873 238 87 GLU H H 7.88 0.03 1 874 238 87 GLU HA H 4.16 0.03 1 875 238 87 GLU HB3 H 2.67 0.03 2 876 238 87 GLU HG3 H 2.97 0.03 2 877 238 87 GLU C C 175.65 0.20 1 878 238 87 GLU CA C 55.07 0.20 1 879 238 87 GLU CB C 31.54 0.20 1 880 238 87 GLU N N 112.13 0.30 1 881 239 88 ARG H H 7.98 0.03 1 882 239 88 ARG HA H 4.25 0.03 1 883 239 88 ARG HB2 H 2.05 0.03 2 884 239 88 ARG HB3 H 2.26 0.03 2 885 239 88 ARG HG2 H 1.64 0.03 2 886 239 88 ARG HG3 H 2.04 0.03 2 887 239 88 ARG HD2 H 3.19 0.03 2 888 239 88 ARG HD3 H 3.26 0.03 2 889 239 88 ARG C C 174.49 0.20 1 890 239 88 ARG CA C 60.41 0.20 1 891 239 88 ARG CB C 25.00 0.20 1 892 239 88 ARG CG C 26.69 0.20 1 893 239 88 ARG CD C 41.45 0.20 1 894 239 88 ARG N N 120.33 0.30 1 895 240 89 PRO HA H 4.36 0.03 1 896 240 89 PRO HD2 H 3.62 0.03 2 897 240 89 PRO HD3 H 3.73 0.03 2 898 240 89 PRO C C 176.33 0.20 1 899 240 89 PRO CA C 64.40 0.20 1 900 241 90 GLN H H 7.82 0.03 1 901 241 90 GLN HA H 4.21 0.03 1 902 241 90 GLN HB3 H 2.19 0.03 2 903 241 90 GLN HG3 H 2.49 0.03 2 904 241 90 GLN C C 175.27 0.20 1 905 241 90 GLN CA C 56.87 0.20 1 906 241 90 GLN CB C 26.48 0.20 1 907 241 90 GLN N N 119.90 0.30 1 908 242 91 TYR H H 7.85 0.03 1 909 242 91 TYR HA H 4.45 0.03 1 910 242 91 TYR HB2 H 3.07 0.03 2 911 242 91 TYR HB3 H 3.23 0.03 2 912 242 91 TYR HD2 H 7.16 0.03 3 913 242 91 TYR HE2 H 6.82 0.03 3 914 242 91 TYR C C 174.10 0.20 1 915 242 91 TYR CA C 58.17 0.20 1 916 242 91 TYR CB C 37.28 0.20 1 917 242 91 TYR N N 121.12 0.30 1 918 243 92 ALA H H 8.14 0.03 1 919 243 92 ALA HA H 3.68 0.03 1 920 243 92 ALA HB H 1.45 0.03 1 921 243 92 ALA C C 179.11 0.20 1 922 243 92 ALA CA C 53.15 0.20 1 923 243 92 ALA CB C 16.01 0.20 1 924 243 92 ALA N N 119.57 0.30 1 925 244 93 GLU H H 7.87 0.03 1 926 244 93 GLU HA H 3.97 0.03 1 927 244 93 GLU HB2 H 2.10 0.03 2 928 244 93 GLU HB3 H 2.17 0.03 2 929 244 93 GLU HG3 H 2.42 0.03 2 930 244 93 GLU C C 176.59 0.20 1 931 244 93 GLU CA C 57.35 0.20 1 932 244 93 GLU CB C 27.52 0.20 1 933 244 93 GLU CG C 34.57 0.20 1 934 244 93 GLU N N 118.29 0.30 1 935 245 94 ILE H H 8.05 0.03 1 936 245 94 ILE HA H 3.96 0.03 1 937 245 94 ILE HB H 2.31 0.03 1 938 245 94 ILE HG12 H 1.55 0.03 2 939 245 94 ILE HG13 H 1.41 0.03 2 940 245 94 ILE HG2 H 0.96 0.03 1 941 245 94 ILE HD1 H 0.66 0.03 1 942 245 94 ILE C C 176.41 0.20 1 943 245 94 ILE CA C 60.70 0.20 1 944 245 94 ILE CB C 34.41 0.20 1 945 245 94 ILE CG1 C 26.21 0.20 1 946 245 94 ILE CG2 C 17.06 0.20 1 947 245 94 ILE CD1 C 9.69 0.20 1 948 245 94 ILE N N 121.40 0.30 1 949 246 95 LEU H H 8.00 0.03 1 950 246 95 LEU HA H 3.80 0.03 1 951 246 95 LEU HB2 H 1.26 0.03 2 952 246 95 LEU HB3 H 1.38 0.03 2 953 246 95 LEU HG H 1.27 0.03 1 954 246 95 LEU HD1 H 0.70 0.03 2 955 246 95 LEU HD2 H 0.57 0.03 2 956 246 95 LEU C C 177.41 0.20 1 957 246 95 LEU CA C 55.41 0.20 1 958 246 95 LEU CB C 40.21 0.20 1 959 246 95 LEU CG C 24.79 0.20 1 960 246 95 LEU CD1 C 21.50 0.20 2 961 246 95 LEU CD2 C 22.94 0.20 2 962 246 95 LEU N N 119.77 0.30 1 963 247 96 ALA H H 7.25 0.03 1 964 247 96 ALA HA H 4.00 0.03 1 965 247 96 ALA HB H 1.38 0.03 1 966 247 96 ALA C C 177.54 0.20 1 967 247 96 ALA CA C 52.23 0.20 1 968 247 96 ALA CB C 16.54 0.20 1 969 247 96 ALA N N 118.30 0.30 1 970 248 97 ASP H H 7.83 0.03 1 971 248 97 ASP HA H 4.41 0.03 1 972 248 97 ASP HB2 H 2.13 0.03 2 973 248 97 ASP HB3 H 2.51 0.03 2 974 248 97 ASP C C 174.47 0.20 1 975 248 97 ASP CA C 53.54 0.20 1 976 248 97 ASP CB C 39.70 0.20 1 977 248 97 ASP N N 116.19 0.30 1 978 249 98 HIS H H 8.04 0.03 1 979 249 98 HIS HA H 4.91 0.03 1 980 249 98 HIS HB2 H 2.94 0.03 2 981 249 98 HIS HB3 H 3.06 0.03 2 982 249 98 HIS HD2 H 7.02 0.03 1 983 249 98 HIS HE1 H 8.05 0.03 1 984 249 98 HIS C C 170.56 0.20 1 985 249 98 HIS CA C 51.53 0.20 1 986 249 98 HIS CB C 27.13 0.20 1 987 249 98 HIS CE1 C 135.41 0.20 1 988 249 98 HIS N N 117.46 0.30 1 989 250 99 PRO HA H 4.42 0.03 1 990 250 99 PRO HB2 H 1.88 0.03 2 991 250 99 PRO HB3 H 2.26 0.03 2 992 250 99 PRO HG3 H 1.84 0.03 2 993 250 99 PRO HD2 H 3.24 0.03 2 994 250 99 PRO HD3 H 3.44 0.03 2 995 250 99 PRO C C 175.66 0.20 1 996 250 99 PRO CA C 62.99 0.20 1 997 250 99 PRO CB C 30.04 0.20 1 998 250 99 PRO CG C 25.52 0.20 1 999 250 99 PRO CD C 48.52 0.20 1 1000 251 100 ASP H H 8.46 0.03 1 1001 251 100 ASP HA H 4.60 0.03 1 1002 251 100 ASP HB2 H 2.62 0.03 2 1003 251 100 ASP HB3 H 2.75 0.03 2 1004 251 100 ASP C C 173.60 0.20 1 1005 251 100 ASP CA C 51.97 0.20 1 1006 251 100 ASP CB C 39.10 0.20 1 1007 251 100 ASP N N 115.72 0.30 1 1008 252 101 ALA H H 7.39 0.03 1 1009 252 101 ALA HA H 4.62 0.03 1 1010 252 101 ALA HB H 1.23 0.03 1 1011 252 101 ALA C C 173.08 0.20 1 1012 252 101 ALA CA C 48.24 0.20 1 1013 252 101 ALA CB C 17.39 0.20 1 1014 252 101 ALA N N 124.83 0.30 1 1015 253 102 PRO HA H 4.61 0.03 1 1016 253 102 PRO HB2 H 2.08 0.03 2 1017 253 102 PRO HB3 H 2.37 0.03 2 1018 253 102 PRO HG3 H 2.05 0.03 2 1019 253 102 PRO HD2 H 3.56 0.03 2 1020 253 102 PRO HD3 H 3.94 0.03 2 1021 253 102 PRO C C 176.64 0.20 1 1022 253 102 PRO CA C 59.81 0.20 1 1023 253 102 PRO CB C 30.19 0.20 1 1024 253 102 PRO CG C 26.00 0.20 1 1025 253 102 PRO CD C 48.76 0.20 1 1026 254 103 MET H H 8.89 0.03 1 1027 254 103 MET HA H 4.88 0.03 1 1028 254 103 MET HB2 H 2.08 0.03 2 1029 254 103 MET HB3 H 2.38 0.03 2 1030 254 103 MET HG2 H 2.85 0.03 2 1031 254 103 MET HG3 H 3.10 0.03 2 1032 254 103 MET HE H 2.18 0.03 1 1033 254 103 MET C C 178.19 0.20 1 1034 254 103 MET CA C 55.62 0.20 1 1035 254 103 MET CB C 31.82 0.20 1 1036 254 103 MET CE C 19.22 0.20 1 1037 254 103 MET N N 122.33 0.30 1 1038 255 104 SER H H 9.97 0.03 1 1039 255 104 SER HA H 4.29 0.03 1 1040 255 104 SER HB2 H 3.83 0.03 2 1041 255 104 SER HB3 H 3.93 0.03 2 1042 255 104 SER C C 172.32 0.20 1 1043 255 104 SER CA C 59.67 0.20 1 1044 255 104 SER CB C 59.01 0.20 1 1045 255 104 SER N N 117.84 0.30 1 1046 256 105 GLN H H 7.82 0.03 1 1047 256 105 GLN HA H 4.54 0.03 1 1048 256 105 GLN HB2 H 2.10 0.03 2 1049 256 105 GLN HB3 H 2.28 0.03 2 1050 256 105 GLN HG3 H 2.40 0.03 2 1051 256 105 GLN HE21 H 6.81 0.03 2 1052 256 105 GLN HE22 H 7.87 0.03 2 1053 256 105 GLN C C 174.54 0.20 1 1054 256 105 GLN CA C 53.79 0.20 1 1055 256 105 GLN CB C 28.24 0.20 1 1056 256 105 GLN CG C 32.96 0.20 1 1057 256 105 GLN N N 119.13 0.30 1 1058 256 105 GLN NE2 N 111.90 0.30 1 1059 257 106 VAL H H 7.75 0.03 1 1060 257 106 VAL HA H 3.92 0.03 1 1061 257 106 VAL HB H 2.26 0.03 1 1062 257 106 VAL HG1 H 0.82 0.03 2 1063 257 106 VAL HG2 H 0.63 0.03 2 1064 257 106 VAL C C 172.38 0.20 1 1065 257 106 VAL CA C 62.92 0.20 1 1066 257 106 VAL CB C 32.86 0.20 1 1067 257 106 VAL CG1 C 19.39 0.20 2 1068 257 106 VAL CG2 C 21.03 0.20 2 1069 257 106 VAL N N 119.46 0.30 1 1070 258 107 TYR H H 8.40 0.03 1 1071 258 107 TYR HA H 4.12 0.03 1 1072 258 107 TYR HB2 H 2.84 0.03 2 1073 258 107 TYR HB3 H 2.91 0.03 2 1074 258 107 TYR HD1 H 6.41 0.03 3 1075 258 107 TYR HE1 H 6.58 0.03 3 1076 258 107 TYR C C 172.43 0.20 1 1077 258 107 TYR CA C 57.99 0.20 1 1078 258 107 TYR CB C 38.98 0.20 1 1079 258 107 TYR N N 117.71 0.30 1 1080 259 108 GLY H H 8.63 0.03 1 1081 259 108 GLY HA2 H 3.58 0.03 2 1082 259 108 GLY HA3 H 4.36 0.03 2 1083 259 108 GLY C C 171.97 0.20 1 1084 259 108 GLY CA C 42.65 0.20 1 1085 259 108 GLY N N 106.28 0.30 1 1086 260 109 ALA H H 9.15 0.03 1 1087 260 109 ALA HA H 3.78 0.03 1 1088 260 109 ALA HB H 0.92 0.03 1 1089 260 109 ALA C C 173.79 0.20 1 1090 260 109 ALA CA C 54.80 0.20 1 1091 260 109 ALA CB C 14.83 0.20 1 1092 260 109 ALA N N 121.49 0.30 1 1093 261 110 PRO HA H 4.43 0.03 1 1094 261 110 PRO HB3 H 1.57 0.03 2 1095 261 110 PRO HD2 H 3.47 0.03 2 1096 261 110 PRO HD3 H 3.65 0.03 2 1097 261 110 PRO C C 177.44 0.20 1 1098 261 110 PRO CA C 65.62 0.20 1 1099 262 111 HIS H H 6.99 0.03 1 1100 262 111 HIS HA H 3.64 0.03 1 1101 262 111 HIS HB3 H 2.85 0.03 2 1102 262 111 HIS HD2 H 6.61 0.03 1 1103 262 111 HIS HE1 H 7.49 0.03 1 1104 262 111 HIS C C 174.59 0.20 1 1105 262 111 HIS CA C 61.47 0.20 1 1106 262 111 HIS CB C 28.73 0.20 1 1107 262 111 HIS N N 114.91 0.30 1 1108 263 112 LEU H H 7.80 0.03 1 1109 263 112 LEU HA H 4.06 0.03 1 1110 263 112 LEU HB2 H 1.16 0.03 2 1111 263 112 LEU HB3 H 2.23 0.03 2 1112 263 112 LEU HG H 1.77 0.03 1 1113 263 112 LEU HD1 H 1.07 0.03 2 1114 263 112 LEU HD2 H 0.81 0.03 2 1115 263 112 LEU C C 176.04 0.20 1 1116 263 112 LEU CA C 55.91 0.20 1 1117 263 112 LEU CB C 39.55 0.20 1 1118 263 112 LEU CD1 C 25.34 0.20 2 1119 263 112 LEU CD2 C 20.32 0.20 2 1120 263 112 LEU N N 120.05 0.30 1 1121 264 113 LEU H H 8.43 0.03 1 1122 264 113 LEU HA H 4.35 0.03 1 1123 264 113 LEU HD1 H 0.89 0.03 2 1124 264 113 LEU C C 177.30 0.20 1 1125 264 113 LEU CA C 56.25 0.20 1 1126 264 113 LEU CB C 39.42 0.20 1 1127 264 113 LEU CD1 C 22.25 0.20 2 1128 264 113 LEU N N 117.75 0.30 1 1129 265 114 ARG H H 7.66 0.03 1 1130 265 114 ARG HA H 3.68 0.03 1 1131 265 114 ARG HB3 H 2.03 0.03 2 1132 265 114 ARG C C 176.48 0.20 1 1133 265 114 ARG CA C 58.33 0.20 1 1134 265 114 ARG CB C 28.85 0.20 1 1135 265 114 ARG N N 115.50 0.30 1 1136 266 115 LEU H H 7.41 0.03 1 1137 266 115 LEU HA H 3.74 0.03 1 1138 266 115 LEU HB2 H 1.42 0.03 2 1139 266 115 LEU HB3 H 2.38 0.03 2 1140 266 115 LEU HG H 1.17 0.03 1 1141 266 115 LEU HD1 H 0.63 0.03 2 1142 266 115 LEU HD2 H 0.55 0.03 2 1143 266 115 LEU C C 176.26 0.20 1 1144 266 115 LEU CA C 56.58 0.20 1 1145 266 115 LEU CB C 40.25 0.20 1 1146 266 115 LEU CD1 C 24.11 0.20 2 1147 266 115 LEU CD2 C 23.83 0.20 2 1148 266 115 LEU N N 117.56 0.30 1 1149 267 116 PHE H H 7.75 0.03 1 1150 267 116 PHE HA H 4.03 0.03 1 1151 267 116 PHE HB2 H 3.10 0.03 2 1152 267 116 PHE HB3 H 3.22 0.03 2 1153 267 116 PHE HD1 H 7.51 0.03 3 1154 267 116 PHE HE1 H 7.25 0.03 3 1155 267 116 PHE HZ H 7.00 0.03 1 1156 267 116 PHE C C 174.35 0.20 1 1157 267 116 PHE CA C 59.47 0.20 1 1158 267 116 PHE CB C 36.97 0.20 1 1159 267 116 PHE CD1 C 130.23 0.20 1 1160 267 116 PHE N N 114.31 0.30 1 1161 268 117 VAL H H 7.67 0.03 1 1162 268 117 VAL HA H 3.97 0.03 1 1163 268 117 VAL HB H 2.72 0.03 1 1164 268 117 VAL HG1 H 1.20 0.03 2 1165 268 117 VAL HG2 H 1.07 0.03 2 1166 268 117 VAL C C 175.32 0.20 1 1167 268 117 VAL CA C 62.84 0.20 1 1168 268 117 VAL CB C 30.14 0.20 1 1169 268 117 VAL CG1 C 22.02 0.20 2 1170 268 117 VAL CG2 C 20.00 0.20 2 1171 268 117 VAL N N 118.54 0.30 1 1172 269 118 ARG H H 7.33 0.03 1 1173 269 118 ARG HA H 4.47 0.03 1 1174 269 118 ARG HB3 H 1.69 0.03 2 1175 269 118 ARG HG3 H 1.84 0.03 2 1176 269 118 ARG HD2 H 3.26 0.03 2 1177 269 118 ARG HD3 H 3.38 0.03 2 1178 269 118 ARG C C 176.04 0.20 1 1179 269 118 ARG CA C 53.44 0.20 1 1180 269 118 ARG CB C 28.94 0.20 1 1181 269 118 ARG CD C 40.07 0.20 1 1182 269 118 ARG N N 116.12 0.30 1 1183 270 119 ILE H H 8.05 0.03 1 1184 270 119 ILE HA H 3.93 0.03 1 1185 270 119 ILE HB H 1.82 0.03 1 1186 270 119 ILE HG12 H 1.80 0.03 2 1187 270 119 ILE HG13 H 1.02 0.03 2 1188 270 119 ILE HG2 H 0.95 0.03 1 1189 270 119 ILE HD1 H 0.57 0.03 1 1190 270 119 ILE C C 174.00 0.20 1 1191 270 119 ILE CA C 63.88 0.20 1 1192 270 119 ILE CB C 36.10 0.20 1 1193 270 119 ILE CG1 C 27.31 0.20 1 1194 270 119 ILE CG2 C 15.45 0.20 1 1195 270 119 ILE CD1 C 11.94 0.20 1 1196 270 119 ILE N N 118.37 0.30 1 1197 271 120 GLY H H 8.25 0.03 1 1198 271 120 GLY HA2 H 3.57 0.03 2 1199 271 120 GLY HA3 H 4.12 0.03 2 1200 271 120 GLY C C 174.06 0.20 1 1201 271 120 GLY CA C 45.84 0.20 1 1202 271 120 GLY N N 108.90 0.30 1 1203 272 121 ALA H H 7.77 0.03 1 1204 272 121 ALA HA H 4.18 0.03 1 1205 272 121 ALA HB H 1.49 0.03 1 1206 272 121 ALA C C 178.10 0.20 1 1207 272 121 ALA CA C 52.48 0.20 1 1208 272 121 ALA CB C 16.85 0.20 1 1209 272 121 ALA N N 123.09 0.30 1 1210 273 122 MET H H 7.54 0.03 1 1211 273 122 MET HA H 4.24 0.03 1 1212 273 122 MET HB2 H 1.97 0.03 2 1213 273 122 MET HB3 H 2.13 0.03 2 1214 273 122 MET HG2 H 2.60 0.03 2 1215 273 122 MET HG3 H 2.76 0.03 2 1216 273 122 MET HE H 2.05 0.03 1 1217 273 122 MET C C 177.77 0.20 1 1218 273 122 MET CA C 55.43 0.20 1 1219 273 122 MET CB C 30.11 0.20 1 1220 273 122 MET CG C 30.91 0.20 1 1221 273 122 MET CE C 15.27 0.20 1 1222 273 122 MET N N 114.76 0.30 1 1223 274 123 LEU H H 8.30 0.03 1 1224 274 123 LEU HA H 3.95 0.03 1 1225 274 123 LEU HB3 H 1.86 0.03 2 1226 274 123 LEU HG H 1.70 0.03 1 1227 274 123 LEU HD1 H 0.60 0.03 2 1228 274 123 LEU HD2 H 0.60 0.03 2 1229 274 123 LEU C C 175.99 0.20 1 1230 274 123 LEU CA C 55.28 0.20 1 1231 274 123 LEU CB C 39.95 0.20 1 1232 274 123 LEU CG C 24.95 0.20 1 1233 274 123 LEU CD1 C 21.73 0.20 2 1234 274 123 LEU CD2 C 23.84 0.20 2 1235 274 123 LEU N N 121.03 0.30 1 1236 275 124 ALA H H 7.18 0.03 1 1237 275 124 ALA HA H 4.01 0.03 1 1238 275 124 ALA HB H 1.22 0.03 1 1239 275 124 ALA C C 176.19 0.20 1 1240 275 124 ALA CA C 52.13 0.20 1 1241 275 124 ALA CB C 16.72 0.20 1 1242 275 124 ALA N N 118.51 0.30 1 1243 276 125 TYR H H 7.15 0.03 1 1244 276 125 TYR HA H 4.60 0.03 1 1245 276 125 TYR HB2 H 2.94 0.03 2 1246 276 125 TYR HB3 H 3.23 0.03 2 1247 276 125 TYR HD1 H 7.15 0.03 3 1248 276 125 TYR HE1 H 6.76 0.03 3 1249 276 125 TYR C C 173.62 0.20 1 1250 276 125 TYR CA C 55.55 0.20 1 1251 276 125 TYR CB C 36.91 0.20 1 1252 276 125 TYR CD1 C 131.50 0.20 1 1253 276 125 TYR CE1 C 116.27 0.20 1 1254 276 125 TYR N N 113.22 0.30 1 1255 277 126 THR H H 7.32 0.03 1 1256 277 126 THR HA H 4.58 0.03 1 1257 277 126 THR HB H 3.84 0.03 1 1258 277 126 THR HG2 H 0.97 0.03 1 1259 277 126 THR C C 170.44 0.20 1 1260 277 126 THR CA C 57.42 0.20 1 1261 277 126 THR CB C 68.40 0.20 1 1262 277 126 THR CG2 C 19.60 0.20 1 1263 277 126 THR N N 116.06 0.30 1 1264 278 127 PRO HA H 4.51 0.03 1 1265 278 127 PRO HB3 H 2.00 0.03 2 1266 278 127 PRO HG3 H 1.97 0.03 2 1267 278 127 PRO HD2 H 3.62 0.03 2 1268 278 127 PRO HD3 H 3.70 0.03 2 1269 278 127 PRO C C 173.85 0.20 1 1270 278 127 PRO CA C 60.98 0.20 1 1271 278 127 PRO CB C 28.47 0.20 1 1272 278 127 PRO CG C 25.67 0.20 1 1273 278 127 PRO CD C 49.03 0.20 1 1274 279 128 LEU H H 7.87 0.03 1 1275 279 128 LEU HA H 4.43 0.03 1 1276 279 128 LEU HB2 H 1.32 0.03 2 1277 279 128 LEU HB3 H 1.53 0.03 2 1278 279 128 LEU HG H 1.61 0.03 1 1279 279 128 LEU HD1 H 0.72 0.03 2 1280 279 128 LEU HD2 H 0.66 0.03 2 1281 279 128 LEU C C 174.40 0.20 1 1282 279 128 LEU CA C 51.94 0.20 1 1283 279 128 LEU CB C 43.30 0.20 1 1284 279 128 LEU CG C 25.04 0.20 1 1285 279 128 LEU CD1 C 22.42 0.20 2 1286 279 128 LEU CD2 C 24.35 0.20 2 1287 279 128 LEU N N 123.72 0.30 1 1288 280 129 ASP H H 8.12 0.03 1 1289 280 129 ASP HA H 4.54 0.03 1 1290 280 129 ASP HB2 H 2.67 0.03 2 1291 280 129 ASP HB3 H 2.92 0.03 2 1292 280 129 ASP C C 173.62 0.20 1 1293 280 129 ASP CA C 51.52 0.20 1 1294 280 129 ASP CB C 39.82 0.20 1 1295 280 129 ASP N N 119.94 0.30 1 1296 281 130 GLU H H 8.80 0.03 1 1297 281 130 GLU HA H 3.89 0.03 1 1298 281 130 GLU HB3 H 2.05 0.03 2 1299 281 130 GLU HG2 H 2.29 0.03 2 1300 281 130 GLU HG3 H 2.34 0.03 2 1301 281 130 GLU C C 177.06 0.20 1 1302 281 130 GLU CA C 58.34 0.20 1 1303 281 130 GLU CB C 27.91 0.20 1 1304 281 130 GLU CG C 34.46 0.20 1 1305 281 130 GLU N N 120.07 0.30 1 1306 282 131 LYS H H 8.29 0.03 1 1307 282 131 LYS HA H 4.13 0.03 1 1308 282 131 LYS HB2 H 1.81 0.03 2 1309 282 131 LYS HB3 H 1.94 0.03 2 1310 282 131 LYS HG2 H 1.43 0.03 2 1311 282 131 LYS HG3 H 1.55 0.03 2 1312 282 131 LYS HD3 H 1.69 0.03 2 1313 282 131 LYS HE3 H 2.97 0.03 2 1314 282 131 LYS C C 177.79 0.20 1 1315 282 131 LYS CA C 57.56 0.20 1 1316 282 131 LYS CB C 30.12 0.20 1 1317 282 131 LYS CG C 23.65 0.20 1 1318 282 131 LYS CD C 27.25 0.20 1 1319 282 131 LYS N N 119.51 0.30 1 1320 283 132 SER H H 8.31 0.03 1 1321 283 132 SER HA H 4.10 0.03 1 1322 283 132 SER HB2 H 3.64 0.03 2 1323 283 132 SER HB3 H 3.86 0.03 2 1324 283 132 SER C C 173.64 0.20 1 1325 283 132 SER CA C 60.57 0.20 1 1326 283 132 SER CB C 60.80 0.20 1 1327 283 132 SER N N 118.20 0.30 1 1328 284 133 LEU H H 8.30 0.03 1 1329 284 133 LEU HA H 3.88 0.03 1 1330 284 133 LEU HB2 H 1.38 0.03 2 1331 284 133 LEU HB3 H 1.74 0.03 2 1332 284 133 LEU HG H 1.53 0.03 1 1333 284 133 LEU HD1 H 0.86 0.03 2 1334 284 133 LEU HD2 H 0.84 0.03 2 1335 284 133 LEU C C 175.41 0.20 1 1336 284 133 LEU CA C 56.12 0.20 1 1337 284 133 LEU CB C 39.67 0.20 1 1338 284 133 LEU CG C 25.29 0.20 1 1339 284 133 LEU CD1 C 23.98 0.20 2 1340 284 133 LEU CD2 C 22.07 0.20 2 1341 284 133 LEU N N 121.41 0.30 1 1342 285 134 ALA H H 7.79 0.03 1 1343 285 134 ALA HA H 4.00 0.03 1 1344 285 134 ALA HB H 1.48 0.03 1 1345 285 134 ALA C C 178.60 0.20 1 1346 285 134 ALA CA C 53.44 0.20 1 1347 285 134 ALA CB C 16.13 0.20 1 1348 285 134 ALA N N 119.19 0.30 1 1349 286 135 LEU H H 7.63 0.03 1 1350 286 135 LEU HA H 4.15 0.03 1 1351 286 135 LEU HB2 H 1.72 0.03 2 1352 286 135 LEU HB3 H 1.80 0.03 2 1353 286 135 LEU HG H 1.72 0.03 1 1354 286 135 LEU HD1 H 1.03 0.03 2 1355 286 135 LEU HD2 H 0.94 0.03 2 1356 286 135 LEU C C 176.50 0.20 1 1357 286 135 LEU CA C 55.99 0.20 1 1358 286 135 LEU CB C 40.63 0.20 1 1359 286 135 LEU CG C 25.32 0.20 1 1360 286 135 LEU CD1 C 22.49 0.20 2 1361 286 135 LEU CD2 C 23.62 0.20 2 1362 286 135 LEU N N 118.77 0.30 1 1363 287 136 LEU H H 8.25 0.03 1 1364 287 136 LEU HA H 4.00 0.03 1 1365 287 136 LEU HB2 H 1.37 0.03 2 1366 287 136 LEU HB3 H 1.94 0.03 2 1367 287 136 LEU HG H 1.27 0.03 1 1368 287 136 LEU HD1 H 0.48 0.03 2 1369 287 136 LEU HD2 H 0.44 0.03 2 1370 287 136 LEU C C 177.11 0.20 1 1371 287 136 LEU CA C 56.66 0.20 1 1372 287 136 LEU CB C 39.93 0.20 1 1373 287 136 LEU CG C 25.15 0.20 1 1374 287 136 LEU CD1 C 21.98 0.20 2 1375 287 136 LEU CD2 C 24.64 0.20 2 1376 287 136 LEU N N 118.83 0.30 1 1377 288 137 LEU H H 8.84 0.03 1 1378 288 137 LEU HA H 3.72 0.03 1 1379 288 137 LEU HB2 H 1.44 0.03 2 1380 288 137 LEU HB3 H 1.92 0.03 2 1381 288 137 LEU HG H 1.75 0.03 1 1382 288 137 LEU HD1 H 0.82 0.03 2 1383 288 137 LEU HD2 H 0.65 0.03 2 1384 288 137 LEU C C 176.94 0.20 1 1385 288 137 LEU CA C 56.60 0.20 1 1386 288 137 LEU CB C 39.10 0.20 1 1387 288 137 LEU CG C 25.49 0.20 1 1388 288 137 LEU CD1 C 23.85 0.20 2 1389 288 137 LEU CD2 C 21.30 0.20 2 1390 288 137 LEU N N 117.25 0.30 1 1391 289 138 ASN H H 7.97 0.03 1 1392 289 138 ASN HA H 4.53 0.03 1 1393 289 138 ASN HB2 H 2.94 0.03 2 1394 289 138 ASN HB3 H 3.00 0.03 2 1395 289 138 ASN HD21 H 6.85 0.03 2 1396 289 138 ASN HD22 H 7.08 0.03 2 1397 289 138 ASN C C 176.88 0.20 1 1398 289 138 ASN CA C 55.04 0.20 1 1399 289 138 ASN CB C 36.51 0.20 1 1400 289 138 ASN N N 118.06 0.30 1 1401 289 138 ASN ND2 N 111.31 0.30 1 1402 290 139 TYR H H 8.01 0.03 1 1403 290 139 TYR HA H 4.41 0.03 1 1404 290 139 TYR HB3 H 3.11 0.03 2 1405 290 139 TYR HD1 H 7.36 0.03 3 1406 290 139 TYR HE1 H 6.64 0.03 3 1407 290 139 TYR C C 177.03 0.20 1 1408 290 139 TYR CA C 60.96 0.20 1 1409 290 139 TYR CB C 37.20 0.20 1 1410 290 139 TYR N N 118.38 0.30 1 1411 291 140 LEU H H 9.10 0.03 1 1412 291 140 LEU HA H 4.19 0.03 1 1413 291 140 LEU HB2 H 1.36 0.03 2 1414 291 140 LEU HB3 H 1.92 0.03 2 1415 291 140 LEU HG H 2.24 0.03 1 1416 291 140 LEU HD1 H 0.94 0.03 2 1417 291 140 LEU HD2 H 0.77 0.03 2 1418 291 140 LEU C C 177.31 0.20 1 1419 291 140 LEU CA C 56.64 0.20 1 1420 291 140 LEU CB C 38.85 0.20 1 1421 291 140 LEU CG C 24.28 0.20 1 1422 291 140 LEU CD1 C 19.66 0.20 2 1423 291 140 LEU CD2 C 24.72 0.20 2 1424 291 140 LEU N N 118.59 0.30 1 1425 292 141 HIS H H 8.81 0.03 1 1426 292 141 HIS HA H 4.42 0.03 1 1427 292 141 HIS HB3 H 3.27 0.03 2 1428 292 141 HIS HD2 H 7.03 0.03 1 1429 292 141 HIS HE1 H 7.75 0.03 1 1430 292 141 HIS C C 176.12 0.20 1 1431 292 141 HIS CA C 58.86 0.20 1 1432 292 141 HIS CB C 26.47 0.20 1 1433 292 141 HIS CE1 C 135.01 0.20 1 1434 292 141 HIS N N 116.72 0.30 1 1435 293 142 ASP H H 8.16 0.03 1 1436 293 142 ASP HA H 4.50 0.03 1 1437 293 142 ASP HB2 H 2.90 0.03 2 1438 293 142 ASP HB3 H 3.06 0.03 2 1439 293 142 ASP C C 176.44 0.20 1 1440 293 142 ASP CA C 56.56 0.20 1 1441 293 142 ASP CB C 40.52 0.20 1 1442 293 142 ASP N N 121.84 0.30 1 1443 294 143 PHE H H 8.48 0.03 1 1444 294 143 PHE HA H 3.93 0.03 1 1445 294 143 PHE HB2 H 2.74 0.03 2 1446 294 143 PHE HB3 H 2.93 0.03 2 1447 294 143 PHE HD2 H 6.12 0.03 3 1448 294 143 PHE HE2 H 6.89 0.03 3 1449 294 143 PHE HZ H 6.97 0.03 1 1450 294 143 PHE C C 175.76 0.20 1 1451 294 143 PHE CA C 58.82 0.20 1 1452 294 143 PHE CB C 36.56 0.20 1 1453 294 143 PHE CD2 C 129.83 0.20 1 1454 294 143 PHE CE2 C 127.63 0.20 1 1455 294 143 PHE N N 121.37 0.30 1 1456 295 144 LEU H H 8.30 0.03 1 1457 295 144 LEU HA H 3.42 0.03 1 1458 295 144 LEU HB3 H 1.98 0.03 2 1459 295 144 LEU HG H 1.10 0.03 1 1460 295 144 LEU HD1 H 0.79 0.03 2 1461 295 144 LEU HD2 H 0.28 0.03 2 1462 295 144 LEU C C 176.43 0.20 1 1463 295 144 LEU CA C 56.40 0.20 1 1464 295 144 LEU CB C 39.78 0.20 1 1465 295 144 LEU CG C 25.64 0.20 1 1466 295 144 LEU CD1 C 24.36 0.20 2 1467 295 144 LEU CD2 C 21.47 0.20 2 1468 295 144 LEU N N 119.12 0.30 1 1469 296 145 LYS H H 8.11 0.03 1 1470 296 145 LYS HA H 3.90 0.03 1 1471 296 145 LYS HB3 H 2.02 0.03 2 1472 296 145 LYS HG2 H 1.41 0.03 2 1473 296 145 LYS HG3 H 1.61 0.03 2 1474 296 145 LYS HD3 H 1.74 0.03 2 1475 296 145 LYS HE3 H 2.97 0.03 2 1476 296 145 LYS C C 176.84 0.20 1 1477 296 145 LYS CA C 57.98 0.20 1 1478 296 145 LYS CB C 30.17 0.20 1 1479 296 145 LYS CG C 23.58 0.20 1 1480 296 145 LYS CD C 27.74 0.20 1 1481 296 145 LYS N N 119.68 0.30 1 1482 297 146 TYR H H 7.69 0.03 1 1483 297 146 TYR HA H 3.85 0.03 1 1484 297 146 TYR HB2 H 3.04 0.03 2 1485 297 146 TYR HB3 H 3.23 0.03 2 1486 297 146 TYR HD2 H 6.22 0.03 3 1487 297 146 TYR HE2 H 6.44 0.03 3 1488 297 146 TYR C C 176.15 0.20 1 1489 297 146 TYR CA C 60.06 0.20 1 1490 297 146 TYR CB C 35.86 0.20 1 1491 297 146 TYR N N 122.18 0.30 1 1492 298 147 LEU H H 8.03 0.03 1 1493 298 147 LEU HA H 3.44 0.03 1 1494 298 147 LEU HB2 H 1.17 0.03 2 1495 298 147 LEU HB3 H 1.85 0.03 2 1496 298 147 LEU HG H 1.25 0.03 1 1497 298 147 LEU HD1 H 0.58 0.03 2 1498 298 147 LEU HD2 H 0.59 0.03 2 1499 298 147 LEU C C 176.29 0.20 1 1500 298 147 LEU CA C 55.85 0.20 1 1501 298 147 LEU CB C 39.77 0.20 1 1502 298 147 LEU CG C 23.91 0.20 1 1503 298 147 LEU CD1 C 24.18 0.20 2 1504 298 147 LEU CD2 C 21.17 0.20 2 1505 298 147 LEU N N 120.35 0.30 1 1506 299 148 ALA H H 8.20 0.03 1 1507 299 148 ALA HA H 3.76 0.03 1 1508 299 148 ALA HB H 1.40 0.03 1 1509 299 148 ALA C C 178.67 0.20 1 1510 299 148 ALA CA C 53.48 0.20 1 1511 299 148 ALA CB C 16.50 0.20 1 1512 299 148 ALA N N 118.59 0.30 1 1513 300 149 LYS H H 8.17 0.03 1 1514 300 149 LYS HA H 3.99 0.03 1 1515 300 149 LYS HB2 H 1.67 0.03 2 1516 300 149 LYS HB3 H 1.78 0.03 2 1517 300 149 LYS C C 175.76 0.20 1 1518 300 149 LYS CA C 56.51 0.20 1 1519 300 149 LYS CB C 30.22 0.20 1 1520 300 149 LYS CG C 22.74 0.20 1 1521 300 149 LYS CD C 27.13 0.20 1 1522 300 149 LYS N N 119.09 0.30 1 1523 301 150 ASN H H 7.08 0.03 1 1524 301 150 ASN HA H 4.78 0.03 1 1525 301 150 ASN HB2 H 1.78 0.03 2 1526 301 150 ASN HB3 H 2.64 0.03 2 1527 301 150 ASN HD21 H 5.99 0.03 2 1528 301 150 ASN HD22 H 6.32 0.03 2 1529 301 150 ASN C C 173.29 0.20 1 1530 301 150 ASN CA C 51.21 0.20 1 1531 301 150 ASN CB C 37.27 0.20 1 1532 301 150 ASN N N 115.00 0.30 1 1533 301 150 ASN ND2 N 115.90 0.30 1 1534 302 151 SER H H 7.37 0.03 1 1535 302 151 SER HA H 3.97 0.03 1 1536 302 151 SER HB3 H 4.20 0.03 2 1537 302 151 SER C C 173.73 0.20 1 1538 302 151 SER CA C 60.34 0.20 1 1539 302 151 SER CB C 61.17 0.20 1 1540 302 151 SER N N 117.03 0.30 1 1541 303 152 ALA H H 8.47 0.03 1 1542 303 152 ALA HA H 4.32 0.03 1 1543 303 152 ALA HB H 1.45 0.03 1 1544 303 152 ALA C C 177.65 0.20 1 1545 303 152 ALA CA C 52.49 0.20 1 1546 303 152 ALA CB C 16.67 0.20 1 1547 303 152 ALA N N 120.95 0.30 1 1548 304 153 THR H H 7.34 0.03 1 1549 304 153 THR HA H 4.25 0.03 1 1550 304 153 THR HB H 4.11 0.03 1 1551 304 153 THR HG2 H 1.11 0.03 1 1552 304 153 THR C C 173.42 0.20 1 1553 304 153 THR CA C 60.49 0.20 1 1554 304 153 THR CB C 67.47 0.20 1 1555 304 153 THR CG2 C 20.10 0.20 1 1556 304 153 THR N N 124.33 0.30 1 1557 305 154 LEU H H 7.25 0.03 1 1558 305 154 LEU HA H 4.07 0.03 1 1559 305 154 LEU HB2 H 0.15 0.03 2 1560 305 154 LEU HB3 H 0.97 0.03 2 1561 305 154 LEU HG H 1.48 0.03 1 1562 305 154 LEU HD1 H 0.63 0.03 2 1563 305 154 LEU HD2 H 0.52 0.03 2 1564 305 154 LEU C C 174.21 0.20 1 1565 305 154 LEU CA C 53.77 0.20 1 1566 305 154 LEU CB C 42.62 0.20 1 1567 305 154 LEU CG C 24.66 0.20 1 1568 305 154 LEU CD1 C 20.66 0.20 2 1569 305 154 LEU CD2 C 24.97 0.20 2 1570 305 154 LEU N N 119.39 0.30 1 1571 306 155 PHE H H 7.49 0.03 1 1572 306 155 PHE HB2 H 1.08 0.03 2 1573 306 155 PHE HB3 H 1.83 0.03 2 1574 306 155 PHE HE1 H 6.87 0.03 3 1575 306 155 PHE HZ H 6.77 0.03 1 1576 306 155 PHE CA C 54.25 0.20 1 1577 306 155 PHE CB C 36.10 0.20 1 1578 306 155 PHE N N 117.84 0.30 1 1579 307 156 SER HA H 4.60 0.03 1 1580 307 156 SER HB2 H 3.51 0.03 2 1581 307 156 SER HB3 H 3.73 0.03 2 1582 307 156 SER C C 173.50 0.20 1 1583 307 156 SER CA C 55.06 0.20 1 1584 307 156 SER CB C 63.00 0.20 1 1585 308 157 ALA H H 9.52 0.03 1 1586 308 157 ALA HA H 4.42 0.03 1 1587 308 157 ALA HB H 1.55 0.03 1 1588 308 157 ALA C C 177.31 0.20 1 1589 308 157 ALA CA C 52.85 0.20 1 1590 308 157 ALA CB C 16.42 0.20 1 1591 308 157 ALA N N 113.10 0.30 1 1592 309 158 SER H H 8.49 0.03 1 1593 309 158 SER HA H 4.46 0.03 1 1594 309 158 SER HB3 H 3.93 0.03 2 1595 309 158 SER C C 172.73 0.20 1 1596 309 158 SER CA C 58.60 0.20 1 1597 309 158 SER CB C 60.94 0.20 1 1598 309 158 SER N N 112.75 0.30 1 1599 310 159 ASP H H 7.55 0.03 1 1600 310 159 ASP HA H 4.55 0.03 1 1601 310 159 ASP HB2 H 2.53 0.03 2 1602 310 159 ASP HB3 H 2.75 0.03 2 1603 310 159 ASP C C 169.94 0.20 1 1604 310 159 ASP CA C 53.57 0.20 1 1605 310 159 ASP CB C 40.22 0.20 1 1606 310 159 ASP N N 120.20 0.30 1 1607 311 160 TYR H H 7.64 0.03 1 1608 311 160 TYR HA H 5.15 0.03 1 1609 311 160 TYR HB2 H 2.73 0.03 2 1610 311 160 TYR HB3 H 3.07 0.03 2 1611 311 160 TYR HD2 H 7.12 0.03 3 1612 311 160 TYR HE2 H 7.18 0.03 3 1613 311 160 TYR C C 172.90 0.20 1 1614 311 160 TYR CA C 54.74 0.20 1 1615 311 160 TYR CB C 38.49 0.20 1 1616 311 160 TYR N N 118.77 0.30 1 1617 312 161 GLU H H 8.96 0.03 1 1618 312 161 GLU HA H 4.71 0.03 1 1619 312 161 GLU HB2 H 1.88 0.03 2 1620 312 161 GLU HB3 H 1.96 0.03 2 1621 312 161 GLU HG3 H 2.22 0.03 2 1622 312 161 GLU C C 174.00 0.20 1 1623 312 161 GLU CA C 52.50 0.20 1 1624 312 161 GLU CB C 32.15 0.20 1 1625 312 161 GLU CG C 34.30 0.20 1 1626 312 161 GLU N N 117.72 0.30 1 1627 313 162 VAL H H 8.50 0.03 1 1628 313 162 VAL HA H 3.80 0.03 1 1629 313 162 VAL HB H 2.03 0.03 1 1630 313 162 VAL HG1 H 1.07 0.03 2 1631 313 162 VAL HG2 H 1.02 0.03 2 1632 313 162 VAL C C 174.01 0.20 1 1633 313 162 VAL CA C 62.16 0.20 1 1634 313 162 VAL CB C 30.64 0.20 1 1635 313 162 VAL CG1 C 19.84 0.20 2 1636 313 162 VAL CG2 C 19.30 0.20 2 1637 313 162 VAL N N 122.27 0.30 1 1638 314 163 ALA H H 8.40 0.03 1 1639 314 163 ALA HA H 4.51 0.03 1 1640 314 163 ALA HB H 1.29 0.03 1 1641 314 163 ALA C C 173.35 0.20 1 1642 314 163 ALA CA C 48.62 0.20 1 1643 314 163 ALA CB C 16.11 0.20 1 1644 314 163 ALA N N 112.61 0.30 1 1645 315 164 PRO HA H 4.87 0.03 1 1646 315 164 PRO HB2 H 2.30 0.03 2 1647 315 164 PRO HB3 H 2.48 0.03 2 1648 315 164 PRO HG2 H 2.05 0.03 2 1649 315 164 PRO HG3 H 2.22 0.03 2 1650 315 164 PRO HD2 H 3.44 0.03 2 1651 315 164 PRO HD3 H 3.91 0.03 2 1652 315 164 PRO C C 173.47 0.20 1 1653 315 164 PRO CA C 60.20 0.20 1 1654 315 164 PRO CB C 29.28 0.20 1 1655 315 164 PRO CG C 26.08 0.20 1 1656 315 164 PRO CD C 48.69 0.20 1 1657 316 165 PRO HA H 4.25 0.03 1 1658 316 165 PRO HB2 H 1.94 0.03 2 1659 316 165 PRO HB3 H 2.40 0.03 2 1660 316 165 PRO HG2 H 2.07 0.03 2 1661 316 165 PRO HG3 H 2.21 0.03 2 1662 316 165 PRO HD2 H 3.83 0.03 2 1663 316 165 PRO HD3 H 3.94 0.03 2 1664 316 165 PRO C C 177.39 0.20 1 1665 316 165 PRO CA C 64.11 0.20 1 1666 316 165 PRO CB C 30.22 0.20 1 1667 316 165 PRO CG C 26.04 0.20 1 1668 316 165 PRO CD C 48.68 0.20 1 1669 317 166 GLU H H 9.42 0.03 1 1670 317 166 GLU HA H 4.05 0.03 1 1671 317 166 GLU HB3 H 2.04 0.03 2 1672 317 166 GLU HG3 H 2.33 0.03 2 1673 317 166 GLU C C 176.10 0.20 1 1674 317 166 GLU CA C 57.27 0.20 1 1675 317 166 GLU CB C 26.69 0.20 1 1676 317 166 GLU CG C 34.23 0.20 1 1677 317 166 GLU N N 115.72 0.30 1 1678 318 167 TYR H H 8.05 0.03 1 1679 318 167 TYR HA H 3.89 0.03 1 1680 318 167 TYR HB3 H 3.04 0.03 2 1681 318 167 TYR HD1 H 6.60 0.03 3 1682 318 167 TYR HE1 H 5.86 0.03 3 1683 318 167 TYR C C 175.57 0.20 1 1684 318 167 TYR CA C 59.60 0.20 1 1685 318 167 TYR CB C 37.51 0.20 1 1686 318 167 TYR N N 121.69 0.30 1 1687 319 168 HIS H H 7.63 0.03 1 1688 319 168 HIS HA H 4.20 0.03 1 1689 319 168 HIS HB3 H 3.28 0.03 2 1690 319 168 HIS HD2 H 7.25 0.03 1 1691 319 168 HIS HE1 H 7.75 0.03 1 1692 319 168 HIS C C 175.63 0.20 1 1693 319 168 HIS CA C 57.76 0.20 1 1694 319 168 HIS CB C 29.28 0.20 1 1695 319 168 HIS CD2 C 116.55 0.20 1 1696 319 168 HIS CE1 C 136.50 0.20 1 1697 319 168 HIS N N 115.70 0.30 1 1698 320 169 ARG H H 7.48 0.03 1 1699 320 169 ARG HA H 4.17 0.03 1 1700 320 169 ARG HB2 H 1.81 0.03 2 1701 320 169 ARG HB3 H 1.90 0.03 2 1702 320 169 ARG HG3 H 1.65 0.03 2 1703 320 169 ARG HD3 H 3.19 0.03 2 1704 320 169 ARG C C 175.21 0.20 1 1705 320 169 ARG CA C 55.86 0.20 1 1706 320 169 ARG CB C 28.44 0.20 1 1707 320 169 ARG CG C 25.71 0.20 1 1708 320 169 ARG CD C 41.54 0.20 1 1709 320 169 ARG N N 115.65 0.30 1 1710 321 170 LYS H H 7.33 0.03 1 1711 321 170 LYS HA H 4.18 0.03 1 1712 321 170 LYS HB2 H 1.52 0.03 2 1713 321 170 LYS HB3 H 1.62 0.03 2 1714 321 170 LYS HG2 H 1.34 0.03 2 1715 321 170 LYS HG3 H 1.57 0.03 2 1716 321 170 LYS HD3 H 1.43 0.03 2 1717 321 170 LYS HE2 H 2.75 0.03 2 1718 321 170 LYS HE3 H 2.81 0.03 2 1719 321 170 LYS C C 174.39 0.20 1 1720 321 170 LYS CA C 54.97 0.20 1 1721 321 170 LYS CB C 31.27 0.20 1 1722 321 170 LYS CG C 23.22 0.20 1 1723 321 170 LYS CD C 27.79 0.20 1 1724 321 170 LYS CE C 39.99 0.20 1 1725 321 170 LYS N N 116.98 0.30 1 1726 322 171 ALA H H 7.51 0.03 1 1727 322 171 ALA HA H 4.29 0.03 1 1728 322 171 ALA HB H 1.26 0.03 1 1729 322 171 ALA C C 174.21 0.20 1 1730 322 171 ALA CA C 50.19 0.20 1 1731 322 171 ALA CB C 17.85 0.20 1 1732 322 171 ALA N N 123.17 0.30 1 1733 323 172 VAL H H 7.30 0.03 1 1734 323 172 VAL HA H 4.01 0.03 1 1735 323 172 VAL HB H 2.12 0.03 1 1736 323 172 VAL HG1 H 0.91 0.03 2 1737 323 172 VAL HG2 H 0.89 0.03 2 1738 323 172 VAL C C 169.20 0.20 1 1739 323 172 VAL CA C 61.86 0.20 1 1740 323 172 VAL CB C 31.27 0.20 1 1741 323 172 VAL CG1 C 19.97 0.20 2 1742 323 172 VAL CG2 C 18.28 0.20 2 1743 323 172 VAL N N 121.96 0.30 1 stop_ save_