data_5752 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignment of the Integrin alpha2 I-domain ; _BMRB_accession_number 5752 _BMRB_flat_file_name bmr5752.str _Entry_type original _Submission_date 2003-03-21 _Accession_date 2003-03-24 _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 Elshorst Bettina . . 2 Jacobs Doris . . 3 Schwalbe Harald . . 4 Langer Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 194 "13C chemical shifts" 580 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 original author . stop_ _Original_release_date 2003-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignment of the Integrin alpha2 I-domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elshorst Bettina . . 2 Jacobs Doris . . 3 Schwalbe Harald . . 4 Langer Thomas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 192 _Year 2003 _Details . loop_ _Keyword 'heteronuclear NMR' Integrin I-domain MIDAS stop_ save_ ################################## # Molecular system description # ################################## save_system_I-domain _Saveframe_category molecular_system _Mol_system_name 'human Integrin alpha2 I-domain' _Abbreviation_common I-domain _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Integrin alpha2 I-domain' $I-domain 'magnesium ion II' $MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_I-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human Integrin alpha2 I-domain' _Abbreviation_common I-domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 200 _Mol_residue_sequence ; GAMGSLIDVVVVCDESNSIY PWDAVKNFLEKFVQGLDIGP TKTQVGLIQYANNPRVVFNL NTYKTKEEMIVATSQTSQYG GDLTNTFGAIQYARKYAYSA ASGGRRSATKVMVVVTDGES HDGSMLKAVIDQCNHDNILR FGIAVLGYLNRNALDTKNLI KEIKAIASIPTERYFFNVSD EAALLEKAGTLGEQIFSIEG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 MET 4 -1 GLY 5 142 SER 6 143 LEU 7 144 ILE 8 145 ASP 9 146 VAL 10 147 VAL 11 148 VAL 12 149 VAL 13 150 CYS 14 151 ASP 15 152 GLU 16 153 SER 17 154 ASN 18 155 SER 19 156 ILE 20 157 TYR 21 158 PRO 22 159 TRP 23 160 ASP 24 161 ALA 25 162 VAL 26 163 LYS 27 164 ASN 28 165 PHE 29 166 LEU 30 167 GLU 31 168 LYS 32 169 PHE 33 170 VAL 34 171 GLN 35 172 GLY 36 173 LEU 37 174 ASP 38 175 ILE 39 176 GLY 40 177 PRO 41 178 THR 42 179 LYS 43 180 THR 44 181 GLN 45 182 VAL 46 183 GLY 47 184 LEU 48 185 ILE 49 186 GLN 50 187 TYR 51 188 ALA 52 189 ASN 53 190 ASN 54 191 PRO 55 192 ARG 56 193 VAL 57 194 VAL 58 195 PHE 59 196 ASN 60 197 LEU 61 198 ASN 62 199 THR 63 200 TYR 64 201 LYS 65 202 THR 66 203 LYS 67 204 GLU 68 205 GLU 69 206 MET 70 207 ILE 71 208 VAL 72 209 ALA 73 210 THR 74 211 SER 75 212 GLN 76 213 THR 77 214 SER 78 215 GLN 79 216 TYR 80 217 GLY 81 218 GLY 82 219 ASP 83 220 LEU 84 221 THR 85 222 ASN 86 223 THR 87 224 PHE 88 225 GLY 89 226 ALA 90 227 ILE 91 228 GLN 92 229 TYR 93 230 ALA 94 231 ARG 95 232 LYS 96 233 TYR 97 234 ALA 98 235 TYR 99 236 SER 100 237 ALA 101 238 ALA 102 239 SER 103 240 GLY 104 241 GLY 105 242 ARG 106 243 ARG 107 244 SER 108 245 ALA 109 246 THR 110 247 LYS 111 248 VAL 112 249 MET 113 250 VAL 114 251 VAL 115 252 VAL 116 253 THR 117 254 ASP 118 255 GLY 119 256 GLU 120 257 SER 121 258 HIS 122 259 ASP 123 260 GLY 124 261 SER 125 262 MET 126 263 LEU 127 264 LYS 128 265 ALA 129 266 VAL 130 267 ILE 131 268 ASP 132 269 GLN 133 270 CYS 134 271 ASN 135 272 HIS 136 273 ASP 137 274 ASN 138 275 ILE 139 276 LEU 140 277 ARG 141 278 PHE 142 279 GLY 143 280 ILE 144 281 ALA 145 282 VAL 146 283 LEU 147 284 GLY 148 285 TYR 149 286 LEU 150 287 ASN 151 288 ARG 152 289 ASN 153 290 ALA 154 291 LEU 155 292 ASP 156 293 THR 157 294 LYS 158 295 ASN 159 296 LEU 160 297 ILE 161 298 LYS 162 299 GLU 163 300 ILE 164 301 LYS 165 302 ALA 166 303 ILE 167 304 ALA 168 305 SER 169 306 ILE 170 307 PRO 171 308 THR 172 309 GLU 173 310 ARG 174 311 TYR 175 312 PHE 176 313 PHE 177 314 ASN 178 315 VAL 179 316 SER 180 317 ASP 181 318 GLU 182 319 ALA 183 320 ALA 184 321 LEU 185 322 LEU 186 323 GLU 187 324 LYS 188 325 ALA 189 326 GLY 190 327 THR 191 328 LEU 192 329 GLY 193 330 GLU 194 331 GLN 195 332 ILE 196 333 PHE 197 334 SER 198 335 ILE 199 336 GLU 200 337 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1AOX "I Domain From Integrin Alpha2-Beta1" 98.00 203 100.00 100.00 6.15e-141 PDB 1DZI "Integrin Alpha2 I Domain COLLAGEN COMPLEX" 92.50 185 99.46 100.00 2.86e-132 PDB 1V7P "Structure Of Ems16-Alpha2-I Domain Complex" 100.00 200 98.50 99.00 1.21e-141 PDB 4BJ3 "Integrin Alpha2 I Domain E318w-collagen Complex" 98.00 225 99.49 99.49 3.86e-140 DBJ BAG11081 "integrin alpha-2 precursor [synthetic construct]" 98.00 1181 100.00 100.00 2.44e-129 EMBL CAA34894 "unnamed protein product [Homo sapiens]" 98.00 1181 100.00 100.00 2.44e-129 GB AAC94975 "integrin alpha 2 [Homo sapiens]" 78.00 156 100.00 100.00 4.54e-109 GB AAI48597 "Integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor), partial [synthetic construct]" 98.00 1181 100.00 100.00 2.44e-129 GB AAI56716 "Integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor) [synthetic construct]" 98.00 1181 100.00 100.00 2.44e-129 GB AAM34795 "integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor) [Homo sapiens]" 98.00 1181 100.00 100.00 2.44e-129 GB EAW54872 "integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor), isoform CRA_a [Homo sapiens]" 98.00 1181 100.00 100.00 2.44e-129 REF NP_001247751 "integrin alpha-2 precursor [Macaca mulatta]" 98.00 1180 99.49 100.00 9.56e-129 REF NP_002194 "integrin alpha-2 precursor [Homo sapiens]" 98.00 1181 100.00 100.00 2.44e-129 REF XP_003276566 "PREDICTED: integrin alpha-2 [Nomascus leucogenys]" 98.00 1181 99.49 100.00 4.21e-129 REF XP_003827399 "PREDICTED: integrin alpha-2 [Pan paniscus]" 98.00 1181 100.00 100.00 2.34e-129 REF XP_003899707 "PREDICTED: integrin alpha-2 [Papio anubis]" 98.00 1184 100.00 100.00 3.17e-129 SP P17301 "RecName: Full=Integrin alpha-2; AltName: Full=CD49 antigen-like family member B; AltName: Full=Collagen receptor; AltName: Full" 98.00 1181 100.00 100.00 2.44e-129 stop_ save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $I-domain 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 $I-domain 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_int-sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $I-domain 1 mM '[U-2H; U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task 'NMR data processing' stop_ _Details 'Bruker software' save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'NMR data analysis' visualization stop_ _Details 'Bartels et al., J.Biomol. NMR, 1995, 6, 1-10.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_TROSY-Version_of_1H,_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY-Version of 1H, 15N-HSQC' _Sample_label $int-sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $int-sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $int-sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $int-sample_1 save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $int-sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY-Version of 1H, 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ex_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $int-sample_1 stop_ _Sample_conditions_label $ex_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'human Integrin alpha2 I-domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -3 2 ALA CA C 50.048 0.1 1 2 -3 2 ALA CB C 16.231 0.1 1 3 -2 3 MET H H 8.44 0.01 1 4 -2 3 MET N N 119.071 0.1 1 5 -2 3 MET CA C 52.652 0.1 1 6 -2 3 MET C C 173.212 0.1 1 7 -2 3 MET CB C 29.328 0.1 1 8 -1 4 GLY H H 8.238 0.01 1 9 -1 4 GLY N N 110.081 0.1 1 10 -1 4 GLY CA C 42.638 0.1 1 11 -1 4 GLY C C 174.568 0.1 1 12 142 5 SER H H 8.107 0.01 1 13 142 5 SER N N 115.806 0.1 1 14 142 5 SER CA C 55.442 0.1 1 15 142 5 SER C C 177.358 0.1 1 16 142 5 SER CB C 61.135 0.1 1 17 143 6 LEU H H 8.221 0.01 1 18 143 6 LEU N N 124.348 0.1 1 19 143 6 LEU CA C 52.231 0.1 1 20 143 6 LEU C C 177.666 0.1 1 21 143 6 LEU CB C 38.129 0.1 1 22 144 7 ILE H H 7.027 0.01 1 23 144 7 ILE N N 124.463 0.1 1 24 144 7 ILE CA C 57.201 0.1 1 25 144 7 ILE C C 175.898 0.1 1 26 144 7 ILE CB C 37.713 0.1 1 27 145 8 ASP H H 9.02 0.01 1 28 145 8 ASP N N 130.691 0.1 1 29 145 8 ASP CA C 51.156 0.1 1 30 145 8 ASP C C 176.888 0.1 1 31 145 8 ASP CB C 39.861 0.1 1 32 146 9 VAL H H 8.905 0.01 1 33 146 9 VAL N N 123.877 0.1 1 34 146 9 VAL CA C 57.216 0.1 1 35 146 9 VAL C C 177.779 0.1 1 36 146 9 VAL CB C 30.437 0.1 1 37 147 10 VAL H H 8.507 0.01 1 38 147 10 VAL N N 125.666 0.1 1 39 147 10 VAL CA C 58.118 0.1 1 40 147 10 VAL C C 177.723 0.1 1 41 147 10 VAL CB C 30.299 0.1 1 42 148 11 VAL H H 8.791 0.01 1 43 148 11 VAL N N 129.314 0.1 1 44 148 11 VAL CA C 58.347 0.1 1 45 148 11 VAL C C 176.194 0.1 1 46 148 11 VAL CB C 28.566 0.1 1 47 149 12 VAL H H 9.532 0.01 1 48 149 12 VAL N N 130.209 0.1 1 49 149 12 VAL CA C 58.615 0.1 1 50 149 12 VAL C C 178.167 0.1 1 51 149 12 VAL CB C 29.19 0.1 1 52 150 13 CYS H H 9.271 0.01 1 53 150 13 CYS N N 125.222 0.1 1 54 150 13 CYS CA C 55.862 0.1 1 55 150 13 CYS C C 177.486 0.1 1 56 150 13 CYS CB C 27.25 0.1 1 57 151 14 ASP H H 8.472 0.01 1 58 151 14 ASP N N 103.198 0.1 1 59 151 14 ASP CA C 51.429 0.1 1 60 151 14 ASP C C 179.14 0.1 1 61 151 14 ASP CB C 40 0.1 1 62 152 15 GLU H H 8.395 0.01 1 63 152 15 GLU N N 121.922 0.1 1 64 152 15 GLU CA C 49.938 0.1 1 65 152 15 GLU C C 177.778 0.1 1 66 152 15 GLU CB C 28.012 0.1 1 67 153 16 SER H H 9.386 0.01 1 68 153 16 SER N N 115.986 0.1 1 69 153 16 SER CA C 56.053 0.1 1 70 153 16 SER C C 175.721 0.1 1 71 153 16 SER CB C 61.135 0.1 1 72 154 17 ASN H H 8.175 0.01 1 73 154 17 ASN N N 115.799 0.1 1 74 154 17 ASN CA C 52.27 0.1 1 75 154 17 ASN C C 176.458 0.1 1 76 154 17 ASN CB C 35.634 0.1 1 77 155 18 SER H H 6.755 0.01 1 78 155 18 SER N N 112.749 0.1 1 79 155 18 SER CA C 56.551 0.1 1 80 155 18 SER C C 176.638 0.1 1 81 155 18 SER CB C 58.156 0.1 1 82 156 19 ILE H H 6.733 0.01 1 83 156 19 ILE N N 124.685 0.1 1 84 156 19 ILE CA C 58.232 0.1 1 85 156 19 ILE C C 177.611 0.1 1 86 156 19 ILE CB C 34.11 0.1 1 87 157 20 TYR H H 9.163 0.01 1 88 157 20 TYR N N 128.376 0.1 1 89 157 20 TYR CA C 53.236 0.1 1 90 157 20 TYR C C 175.04 0.1 1 91 157 20 TYR CB C 39.168 0.1 1 92 158 21 PRO CB C 29.883 0.1 1 93 158 21 PRO C C 179.933 0.1 1 94 158 21 PRO CA C 59.472 0.1 1 95 159 22 TRP H H 9.08 0.01 1 96 159 22 TRP N N 124.828 0.1 1 97 159 22 TRP CA C 56.268 0.1 1 98 159 22 TRP C C 173.979 0.1 1 99 159 22 TRP CB C 26.557 0.1 1 100 160 23 ASP H H 8.5 0.01 1 101 160 23 ASP N N 114.918 0.1 1 102 160 23 ASP CA C 54.117 0.1 1 103 160 23 ASP C C 173.425 0.1 1 104 160 23 ASP CB C 37.367 0.1 1 105 161 24 ALA H H 7.127 0.01 1 106 161 24 ALA N N 118.928 0.1 1 107 161 24 ALA CA C 51.834 0.1 1 108 161 24 ALA C C 174.342 0.1 1 109 161 24 ALA CB C 15.331 0.1 1 110 162 25 VAL H H 6.856 0.01 1 111 162 25 VAL N N 120.675 0.1 1 112 162 25 VAL CA C 63.049 0.1 1 113 162 25 VAL C C 170.234 0.1 1 114 162 25 VAL CB C 27.111 0.1 1 115 163 26 LYS H H 7.134 0.01 1 116 163 26 LYS N N 118.606 0.1 1 117 163 26 LYS CA C 58.156 0.1 1 118 163 26 LYS C C 173.313 0.1 1 119 163 26 LYS CB C 27.665 0.1 1 120 164 27 ASN H H 8.174 0.01 1 121 164 27 ASN N N 116.738 0.1 1 122 164 27 ASN CA C 52.805 0.1 1 123 164 27 ASN C C 172.513 0.1 1 124 164 27 ASN CB C 34.664 0.1 1 125 165 28 PHE H H 7.325 0.01 1 126 165 28 PHE N N 121.213 0.1 1 127 165 28 PHE CA C 58.138 0.1 1 128 165 28 PHE C C 173.392 0.1 1 129 165 28 PHE CB C 35.219 0.1 1 130 166 29 LEU H H 8.196 0.01 1 131 166 29 LEU N N 119.973 0.1 1 132 166 29 LEU CA C 55.103 0.1 1 133 166 29 LEU C C 176.445 0.1 1 134 166 29 LEU CB C 38.683 0.1 1 135 167 30 GLU H H 8.065 0.01 1 136 167 30 GLU N N 117.582 0.1 1 137 167 30 GLU CA C 56.948 0.1 1 138 167 30 GLU C C 173.166 0.1 1 139 167 30 GLU CB C 26.349 0.1 1 140 168 31 LYS H H 7.598 0.01 1 141 168 31 LYS N N 117.575 0.1 1 142 168 31 LYS CA C 55.205 0.1 1 143 168 31 LYS C C 173.75 0.1 1 144 168 31 LYS CB C 28.428 0.1 1 145 169 32 PHE H H 8.314 0.01 1 146 169 32 PHE N N 120.324 0.1 1 147 169 32 PHE CA C 56.563 0.1 1 148 169 32 PHE C C 172.521 0.1 1 149 169 32 PHE CB C 35.496 0.1 1 150 170 33 VAL H H 7.815 0.01 1 151 170 33 VAL N N 116.831 0.1 1 152 170 33 VAL CA C 63.087 0.1 1 153 170 33 VAL C C 174.365 0.1 1 154 170 33 VAL CB C 27.735 0.1 1 155 171 34 GLN H H 8.009 0.01 1 156 171 34 GLN N N 116.064 0.1 1 157 171 34 GLN CA C 55.748 0.1 1 158 171 34 GLN C C 173.409 0.1 1 159 171 34 GLN CB C 25.101 0.1 1 160 172 35 GLY H H 7.14 0.01 1 161 172 35 GLY N N 104.356 0.1 1 162 172 35 GLY CA C 42.166 0.1 1 163 172 35 GLY C C 173.286 0.1 1 164 173 36 LEU H H 7.241 0.01 1 165 173 36 LEU N N 120.238 0.1 1 166 173 36 LEU CA C 50.63 0.1 1 167 173 36 LEU C C 177.6 0.1 1 168 173 36 LEU CB C 40.693 0.1 1 169 174 37 ASP H H 8.747 0.01 1 170 174 37 ASP N N 121.914 0.1 1 171 174 37 ASP CA C 49.862 0.1 1 172 174 37 ASP C C 175.641 0.1 1 173 174 37 ASP CB C 37.02 0.1 1 174 175 38 ILE H H 7.218 0.01 1 175 175 38 ILE N N 123.146 0.1 1 176 175 38 ILE CA C 55 0.1 1 177 175 38 ILE C C 176.657 0.1 1 178 175 38 ILE CB C 35.149 0.1 1 179 176 39 GLY H H 8.569 0.01 1 180 176 39 GLY N N 115.376 0.1 1 181 176 39 GLY CA C 42.714 0.1 1 182 176 39 GLY C C 173.421 0.1 1 183 177 40 PRO CA C 57.862 0.1 1 184 177 40 PRO CB C 30.784 0.1 1 185 177 40 PRO C C 176.738 0.1 1 186 178 41 THR H H 8.073 0.01 1 187 178 41 THR N N 119.179 0.1 1 188 178 41 THR CA C 57.926 0.1 1 189 178 41 THR C C 176.87 0.1 1 190 178 41 THR CB C 65.847 0.1 1 191 179 42 LYS H H 7.547 0.01 1 192 179 42 LYS N N 124.155 0.1 1 193 179 42 LYS CA C 52.499 0.1 1 194 179 42 LYS C C 178.157 0.1 1 195 179 42 LYS CB C 29.883 0.1 1 196 180 43 THR H H 8.898 0.01 1 197 180 43 THR N N 124.85 0.1 1 198 180 43 THR CA C 60.73 0.1 1 199 180 43 THR C C 174.433 0.1 1 200 180 43 THR CB C 65.709 0.1 1 201 181 44 GLN H H 8.615 0.01 1 202 181 44 GLN N N 123.627 0.1 1 203 181 44 GLN CA C 51.365 0.1 1 204 181 44 GLN C C 178.571 0.1 1 205 181 44 GLN CB C 31.13 0.1 1 206 182 45 VAL H H 7.812 0.01 1 207 182 45 VAL N N 119.376 0.1 1 208 182 45 VAL CA C 57.108 0.1 1 209 182 45 VAL C C 176.991 0.1 1 210 182 45 VAL CB C 31.892 0.1 1 211 183 46 GLY H H 8.762 0.01 1 212 183 46 GLY N N 110.468 0.1 1 213 183 46 GLY CA C 39.961 0.1 1 214 183 46 GLY C C 177.313 0.1 1 215 184 47 LEU H H 7.866 0.01 1 216 184 47 LEU N N 121.914 0.1 1 217 184 47 LEU CA C 51.085 0.1 1 218 184 47 LEU C C 180.45 0.1 1 219 184 47 LEU CB C 41.663 0.1 1 220 185 48 ILE H H 9.486 0.01 1 221 185 48 ILE N N 130.316 0.1 1 222 185 48 ILE CA C 55.939 0.1 1 223 185 48 ILE C C 178.012 0.1 1 224 185 48 ILE CB C 38.337 0.1 1 225 186 49 GLN H H 8.481 0.01 1 226 186 49 GLN N N 123.826 0.1 1 227 186 49 GLN CA C 50.168 0.1 1 228 186 49 GLN C C 175.731 0.1 1 229 186 49 GLN CB C 29.19 0.1 1 230 187 50 TYR H H 8.529 0.01 1 231 187 50 TYR N N 117.411 0.1 1 232 187 50 TYR CA C 53.619 0.1 1 233 187 50 TYR C C 176.364 0.1 1 234 187 50 TYR CB C 40.97 0.1 1 235 188 51 ALA H H 6.52 0.01 1 236 188 51 ALA N N 122.208 0.1 1 237 188 51 ALA CA C 52.958 0.1 1 238 188 51 ALA C C 178.895 0.1 1 239 188 51 ALA CB C 14.568 0.1 1 240 189 52 ASN H H 8.689 0.01 1 241 189 52 ASN N N 123.826 0.1 1 242 189 52 ASN CA C 53.875 0.1 1 243 189 52 ASN C C 174.493 0.1 1 244 189 52 ASN CB C 33.417 0.1 1 245 190 53 ASN H H 8.293 0.01 1 246 190 53 ASN N N 112.606 0.1 1 247 190 53 ASN CA C 48.065 0.1 1 248 190 53 ASN C C 176.153 0.1 1 249 190 53 ASN CB C 38.545 0.1 1 250 191 54 PRO CA C 58.363 0.1 1 251 191 54 PRO CB C 28.913 0.1 1 252 191 54 PRO C C 177.605 0.1 1 253 192 55 ARG H H 9.103 0.01 1 254 192 55 ARG N N 119.126 0.1 1 255 192 55 ARG CA C 51.254 0.1 1 256 192 55 ARG C C 176.012 0.1 1 257 192 55 ARG CB C 28.982 0.1 1 258 193 56 VAL H H 8.603 0.01 1 259 193 56 VAL N N 123.439 0.1 1 260 193 56 VAL CA C 60.717 0.1 1 261 193 56 VAL C C 177.798 0.1 1 262 193 56 VAL CB C 29.051 0.1 1 263 194 57 VAL H H 9.154 0.01 1 264 194 57 VAL N N 132.503 0.1 1 265 194 57 VAL CA C 62.246 0.1 1 266 194 57 VAL C C 174.501 0.1 1 267 194 57 VAL CB C 28.705 0.1 1 268 195 58 PHE H H 7.611 0.01 1 269 195 58 PHE N N 111.847 0.1 1 270 195 58 PHE CA C 54.028 0.1 1 271 195 58 PHE C C 173.668 0.1 1 272 195 58 PHE CB C 37.367 0.1 1 273 196 59 ASN H H 8.656 0.01 1 274 196 59 ASN N N 119.487 0.1 1 275 196 59 ASN CA C 49.174 0.1 1 276 196 59 ASN C C 177.471 0.1 1 277 196 59 ASN CB C 38.683 0.1 1 278 197 60 LEU H H 8.823 0.01 1 279 197 60 LEU N N 121.07 0.1 1 280 197 60 LEU CA C 55.088 0.1 1 281 197 60 LEU C C 175 0.1 1 282 197 60 LEU CB C 39.03 0.1 1 283 198 61 ASN H H 7.29 0.01 1 284 198 61 ASN N N 108.574 0.1 1 285 198 61 ASN CA C 48.155 0.1 1 286 198 61 ASN C C 174.611 0.1 1 287 198 61 ASN CB C 35.357 0.1 1 288 199 62 THR H H 7.801 0.01 1 289 199 62 THR N N 119.62 0.1 1 290 199 62 THR CA C 64.63 0.1 1 291 199 62 THR C C 174.296 0.1 1 292 199 62 THR CB C 66.125 0.1 1 293 200 63 TYR H H 9.096 0.01 1 294 200 63 TYR N N 119.2 0.1 1 295 200 63 TYR CA C 53.799 0.1 1 296 200 63 TYR C C 177.008 0.1 1 297 200 63 TYR CB C 36.258 0.1 1 298 201 64 LYS H H 8.89 0.01 1 299 201 64 LYS N N 120.31 0.1 1 300 201 64 LYS CA C 54.104 0.1 1 301 201 64 LYS C C 176.008 0.1 1 302 201 64 LYS CB C 30.784 0.1 1 303 202 65 THR H H 7.198 0.01 1 304 202 65 THR N N 104.671 0.1 1 305 202 65 THR CA C 55.786 0.1 1 306 202 65 THR C C 175.204 0.1 1 307 202 65 THR CB C 69.867 0.1 1 308 203 66 LYS H H 8.995 0.01 1 309 203 66 LYS N N 122.995 0.1 1 310 203 66 LYS CA C 56.55 0.1 1 311 203 66 LYS C C 176.918 0.1 1 312 203 66 LYS CB C 29.121 0.1 1 313 204 67 GLU H H 8.986 0.01 1 314 204 67 GLU N N 117.439 0.1 1 315 204 67 GLU CA C 58.156 0.1 1 316 204 67 GLU C C 173.794 0.1 1 317 204 67 GLU CB C 25.24 0.1 1 318 205 68 GLU H H 7.279 0.01 1 319 205 68 GLU N N 116.68 0.1 1 320 205 68 GLU CA C 55.498 0.1 1 321 205 68 GLU C C 171.64 0.1 1 322 205 68 GLU CB C 27.596 0.1 1 323 206 69 MET H H 7.243 0.01 1 324 206 69 MET N N 120.126 0.1 1 325 206 69 MET CA C 55.603 0.1 1 326 206 69 MET C C 172.815 0.1 1 327 206 69 MET CB C 30.368 0.1 1 328 207 70 ILE H H 8.363 0.01 1 329 207 70 ILE N N 120.376 0.1 1 330 207 70 ILE CA C 61.568 0.1 1 331 207 70 ILE C C 173.168 0.1 1 332 207 70 ILE CB C 34.11 0.1 1 333 208 71 VAL H H 7.021 0.01 1 334 208 71 VAL N N 120.94 0.1 1 335 208 71 VAL CA C 63.546 0.1 1 336 208 71 VAL C C 172.347 0.1 1 337 208 71 VAL CB C 27.873 0.1 1 338 209 72 ALA H H 7.031 0.01 1 339 209 72 ALA N N 121.693 0.1 1 340 209 72 ALA CA C 52.614 0.1 1 341 209 72 ALA C C 171.946 0.1 1 342 209 72 ALA CB C 16.231 0.1 1 343 210 73 THR H H 8.452 0.01 1 344 210 73 THR N N 112.57 0.1 1 345 210 73 THR CA C 63.66 0.1 1 346 210 73 THR C C 175.892 0.1 1 347 210 73 THR CB C 65.362 0.1 1 348 211 74 SER H H 7.738 0.01 1 349 211 74 SER N N 115.749 0.1 1 350 211 74 SER CA C 58.041 0.1 1 351 211 74 SER C C 175.323 0.1 1 352 211 74 SER CB C 60.927 0.1 1 353 212 75 GLN H H 7.214 0.01 1 354 212 75 GLN N N 118.427 0.1 1 355 212 75 GLN CA C 51.964 0.1 1 356 212 75 GLN C C 176.048 0.1 1 357 212 75 GLN CB C 26.695 0.1 1 358 213 76 THR H H 7.118 0.01 1 359 213 76 THR N N 115.341 0.1 1 360 213 76 THR CA C 59.341 0.1 1 361 213 76 THR C C 174.728 0.1 1 362 213 76 THR CB C 66.956 0.1 1 363 214 77 SER H H 8.608 0.01 1 364 214 77 SER N N 123.926 0.1 1 365 214 77 SER CA C 54.56 0.1 1 366 214 77 SER C C 177.005 0.1 1 367 214 77 SER CB C 63.076 0.1 1 368 215 78 GLN H H 7.725 0.01 1 369 215 78 GLN N N 121.585 0.1 1 370 215 78 GLN CA C 50.32 0.1 1 371 215 78 GLN C C 180.375 0.1 1 372 215 78 GLN CB C 24.616 0.1 1 373 216 79 TYR H H 8.92 0.01 1 374 216 79 TYR N N 130.82 0.1 1 375 216 79 TYR CA C 55.71 0.1 1 376 216 79 TYR C C 175.44 0.1 1 377 216 79 TYR CB C 34.872 0.1 1 378 217 80 GLY H H 6.673 0.01 1 379 217 80 GLY N N 104.116 0.1 1 380 217 80 GLY CA C 41.797 0.1 1 381 217 80 GLY C C 173.79 0.1 1 382 218 81 GLY H H 7.063 0.01 1 383 218 81 GLY N N 104.157 0.1 1 384 218 81 GLY CA C 42.243 0.1 1 385 218 81 GLY C C 178.517 0.1 1 386 219 82 ASP H H 8.549 0.01 1 387 219 82 ASP N N 119.58 0.1 1 388 219 82 ASP CA C 51.396 0.1 1 389 219 82 ASP C C 177.747 0.1 1 390 219 82 ASP CB C 38.822 0.1 1 391 220 83 LEU H H 7.703 0.01 1 392 220 83 LEU N N 122.516 0.1 1 393 220 83 LEU CA C 50.493 0.1 1 394 220 83 LEU C C 175 0.1 1 395 220 83 LEU CB C 40.762 0.1 1 396 221 84 THR H H 10.011 0.01 1 397 221 84 THR N N 118.534 0.1 1 398 221 84 THR CA C 57.274 0.1 1 399 221 84 THR C C 176.622 0.1 1 400 221 84 THR CB C 65.917 0.1 1 401 222 85 ASN H H 8.158 0.01 1 402 222 85 ASN N N 130.08 0.1 1 403 222 85 ASN CA C 49.25 0.1 1 404 222 85 ASN C C 175.645 0.1 1 405 222 85 ASN CB C 33.209 0.1 1 406 223 86 THR H H 7.425 0.01 1 407 223 86 THR N N 119.401 0.1 1 408 223 86 THR CA C 62.131 0.1 1 409 223 86 THR C C 174.852 0.1 1 410 223 86 THR CB C 66.748 0.1 1 411 224 87 PHE H H 10.027 0.01 1 412 224 87 PHE N N 122.194 0.1 1 413 224 87 PHE CA C 61.979 0.1 1 414 224 87 PHE C C 175.997 0.1 1 415 224 87 PHE CB C 34.595 0.1 1 416 225 88 GLY H H 10.308 0.01 1 417 225 88 GLY N N 113.53 0.1 1 418 225 88 GLY CA C 43.402 0.1 1 419 225 88 GLY C C 172.562 0.1 1 420 226 89 ALA H H 7.319 0.01 1 421 226 89 ALA N N 125.68 0.1 1 422 226 89 ALA CA C 52.576 0.1 1 423 226 89 ALA C C 173.926 0.1 1 424 226 89 ALA CB C 14.984 0.1 1 425 227 90 ILE H H 8.113 0.01 1 426 227 90 ILE N N 119.179 0.1 1 427 227 90 ILE CA C 62.768 0.1 1 428 227 90 ILE C C 172.78 0.1 1 429 227 90 ILE CB C 35.149 0.1 1 430 228 91 GLN H H 8.449 0.01 1 431 228 91 GLN N N 119.126 0.1 1 432 228 91 GLN CA C 55.596 0.1 1 433 228 91 GLN C C 173.499 0.1 1 434 228 91 GLN CB C 26.21 0.1 1 435 229 92 TYR H H 7.884 0.01 1 436 229 92 TYR N N 120.126 0.1 1 437 229 92 TYR CA C 58.886 0.1 1 438 229 92 TYR C C 174.034 0.1 1 439 229 92 TYR CB C 36.05 0.1 1 440 230 93 ALA H H 8.379 0.01 1 441 230 93 ALA N N 120.453 0.1 1 442 230 93 ALA CA C 51.694 0.1 1 443 230 93 ALA C C 173.748 0.1 1 444 230 93 ALA CB C 15.4 0.1 1 445 231 94 ARG H H 8.8 0.01 1 446 231 94 ARG N N 115.82 0.1 1 447 231 94 ARG CA C 57.092 0.1 1 448 231 94 ARG C C 171.983 0.1 1 449 231 94 ARG CB C 26.002 0.1 1 450 232 95 LYS H H 8.209 0.01 1 451 232 95 LYS N N 118.821 0.1 1 452 232 95 LYS CA C 56.627 0.1 1 453 232 95 LYS C C 172.156 0.1 1 454 232 95 LYS CB C 29.813 0.1 1 455 233 96 TYR H H 7.947 0.01 1 456 233 96 TYR N N 113.522 0.1 1 457 233 96 TYR CA C 56.245 0.1 1 458 233 96 TYR C C 173.39 0.1 1 459 233 96 TYR CB C 37.575 0.1 1 460 234 97 ALA H H 8.548 0.01 1 461 234 97 ALA N N 121.098 0.1 1 462 234 97 ALA CA C 51.85 0.1 1 463 234 97 ALA C C 172.612 0.1 1 464 234 97 ALA CB C 16.786 0.1 1 465 235 98 TYR H H 8.035 0.01 1 466 235 98 TYR N N 110.826 0.1 1 467 235 98 TYR CA C 53.646 0.1 1 468 235 98 TYR C C 174.871 0.1 1 469 235 98 TYR CB C 34.526 0.1 1 470 236 99 SER H H 7.07 0.01 1 471 236 99 SER N N 116.444 0.1 1 472 236 99 SER CA C 55.24 0.1 1 473 236 99 SER C C 175.142 0.1 1 474 236 99 SER CB C 62.244 0.1 1 475 237 100 ALA H H 8.954 0.01 1 476 237 100 ALA N N 126.88 0.1 1 477 237 100 ALA CA C 52.537 0.1 1 478 237 100 ALA C C 175.624 0.1 1 479 237 100 ALA CB C 14.43 0.1 1 480 238 101 ALA H H 8.45 0.01 1 481 238 101 ALA N N 120.611 0.1 1 482 238 101 ALA CA C 51.964 0.1 1 483 238 101 ALA C C 175.908 0.1 1 484 238 101 ALA CB C 14.915 0.1 1 485 239 102 SER H H 7.348 0.01 1 486 239 102 SER N N 113.823 0.1 1 487 239 102 SER CA C 55.71 0.1 1 488 239 102 SER C C 171.924 0.1 1 489 239 102 SER CB C 61.274 0.1 1 490 240 103 GLY H H 7.422 0.01 1 491 240 103 GLY N N 104.212 0.1 1 492 240 103 GLY CA C 42.332 0.1 1 493 240 103 GLY C C 179.672 0.1 1 494 241 104 GLY H H 8.118 0.01 1 495 241 104 GLY N N 109.816 0.1 1 496 241 104 GLY CA C 42.294 0.1 1 497 241 104 GLY C C 177.155 0.1 1 498 242 105 ARG H H 9.195 0.01 1 499 242 105 ARG N N 126.759 0.1 1 500 242 105 ARG CA C 51.772 0.1 1 501 242 105 ARG C C 176.531 0.1 1 502 242 105 ARG CB C 27.804 0.1 1 503 243 106 ARG H H 8.649 0.01 1 504 243 106 ARG N N 126.114 0.1 1 505 243 106 ARG CA C 55.977 0.1 1 506 243 106 ARG C C 173.916 0.1 1 507 243 106 ARG CB C 27.319 0.1 1 508 244 107 SER H H 8.344 0.01 1 509 244 107 SER N N 111.783 0.1 1 510 244 107 SER CA C 56.091 0.1 1 511 244 107 SER C C 173.562 0.1 1 512 244 107 SER CB C 60.65 0.1 1 513 245 108 ALA H H 7.363 0.01 1 514 245 108 ALA N N 122.587 0.1 1 515 245 108 ALA CA C 48.906 0.1 1 516 245 108 ALA C C 177.398 0.1 1 517 245 108 ALA CB C 17.271 0.1 1 518 246 109 THR H H 8.513 0.01 1 519 246 109 THR N N 120.747 0.1 1 520 246 109 THR CA C 60.832 0.1 1 521 246 109 THR C C 172.993 0.1 1 522 246 109 THR CB C 66.748 0.1 1 523 247 110 LYS H H 8.97 0.01 1 524 247 110 LYS N N 128.577 0.1 1 525 247 110 LYS CA C 53.875 0.1 1 526 247 110 LYS C C 178.027 0.1 1 527 247 110 LYS CB C 30.714 0.1 1 528 248 111 VAL H H 9.116 0.01 1 529 248 111 VAL N N 122.702 0.1 1 530 248 111 VAL CA C 57.162 0.1 1 531 248 111 VAL C C 176.37 0.1 1 532 248 111 VAL CB C 32.516 0.1 1 533 249 112 MET H H 10.032 0.01 1 534 249 112 MET N N 102.876 0.1 1 535 249 112 MET CA C 51.123 0.1 1 536 249 112 MET C C 175.481 0.1 1 537 249 112 MET CB C 35.565 0.1 1 538 250 113 VAL H H 8.865 0.01 1 539 250 113 VAL N N 127.353 0.1 1 540 250 113 VAL CA C 58.041 0.1 1 541 250 113 VAL C C 176.919 0.1 1 542 250 113 VAL CB C 30.853 0.1 1 543 251 114 VAL H H 9.042 0.01 1 544 251 114 VAL N N 129.164 0.1 1 545 251 114 VAL CA C 58.424 0.1 1 546 251 114 VAL C C 177.705 0.1 1 547 251 114 VAL CB C 30.368 0.1 1 548 252 115 VAL H H 8.57 0.01 1 549 252 115 VAL N N 127.739 0.1 1 550 252 115 VAL CA C 57.807 0.1 1 551 252 115 VAL C C 177.363 0.1 1 552 252 115 VAL CB C 30.506 0.1 1 553 253 116 THR H H 8.194 0.01 1 554 253 116 THR N N 119.315 0.1 1 555 253 116 THR CA C 57.854 0.1 1 556 253 116 THR C C 176.889 0.1 1 557 253 116 THR CB C 65.847 0.1 1 558 254 117 ASP H H 8.119 0.01 1 559 254 117 ASP N N 127.954 0.1 1 560 254 117 ASP CA C 48.256 0.1 1 561 254 117 ASP C C 180.115 0.1 1 562 254 117 ASP CB C 41.247 0.1 1 563 255 118 GLY H H 7.963 0.01 1 564 255 118 GLY N N 111.811 0.1 1 565 255 118 GLY CA C 42.599 0.1 1 566 255 118 GLY C C 173.265 0.1 1 567 256 119 GLU H H 8.717 0.01 1 568 256 119 GLU N N 120.575 0.1 1 569 256 119 GLU CA C 53.875 0.1 1 570 256 119 GLU C C 180.772 0.1 1 571 256 119 GLU CB C 27.042 0.1 1 572 257 120 SER H H 10.576 0.01 1 573 257 120 SER N N 122.201 0.1 1 574 257 120 SER CA C 56.74 0.1 1 575 257 120 SER C C 173.834 0.1 1 576 257 120 SER CB C 62.105 0.1 1 577 258 121 HIS H H 8.706 0.01 1 578 258 121 HIS N N 119.626 0.1 1 579 258 121 HIS CA C 56.389 0.1 1 580 258 121 HIS C C 173.775 0.1 1 581 258 121 HIS CB C 27.804 0.1 1 582 259 122 ASP H H 8.357 0.01 1 583 259 122 ASP N N 120.376 0.1 1 584 259 122 ASP CA C 49.429 0.1 1 585 259 122 ASP C C 175.508 0.1 1 586 259 122 ASP CB C 36.466 0.1 1 587 260 123 GLY H H 7.527 0.01 1 588 260 123 GLY N N 106.314 0.1 1 589 260 123 GLY CA C 45.144 0.1 1 590 260 123 GLY C C 174.403 0.1 1 591 261 124 SER H H 8.245 0.01 1 592 261 124 SER N N 118.327 0.1 1 593 261 124 SER CA C 57.725 0.1 1 594 261 124 SER C C 174.805 0.1 1 595 261 124 SER CB C 59.472 0.1 1 596 262 125 MET H H 7.892 0.01 1 597 262 125 MET N N 119.626 0.1 1 598 262 125 MET CA C 53.368 0.1 1 599 262 125 MET C C 175.136 0.1 1 600 262 125 MET CB C 30.506 0.1 1 601 263 126 LEU H H 6.581 0.01 1 602 263 126 LEU N N 119.694 0.1 1 603 263 126 LEU CA C 57.185 0.1 1 604 263 126 LEU C C 177.041 0.1 1 605 263 126 LEU CB C 38.961 0.1 1 606 264 127 LYS H H 8.043 0.01 1 607 264 127 LYS N N 117.432 0.1 1 608 264 127 LYS CA C 56.943 0.1 1 609 264 127 LYS C C 174.022 0.1 1 610 264 127 LYS CB C 28.566 0.1 1 611 265 128 ALA H H 7.898 0.01 1 612 265 128 ALA N N 119.716 0.1 1 613 265 128 ALA CA C 51.962 0.1 1 614 265 128 ALA C C 172.727 0.1 1 615 265 128 ALA CB C 15.053 0.1 1 616 266 129 VAL H H 8.178 0.01 1 617 266 129 VAL N N 117.625 0.1 1 618 266 129 VAL CA C 63.258 0.1 1 619 266 129 VAL C C 170.02 0.1 1 620 266 129 VAL CB C 28.982 0.1 1 621 267 130 ILE H H 8.821 0.01 1 622 267 130 ILE N N 122.308 0.1 1 623 267 130 ILE CA C 59.743 0.1 1 624 267 130 ILE C C 172.126 0.1 1 625 267 130 ILE CB C 30.853 0.1 1 626 268 131 ASP H H 8.354 0.01 1 627 268 131 ASP N N 120.661 0.1 1 628 268 131 ASP CA C 55.049 0.1 1 629 268 131 ASP C C 172.908 0.1 1 630 268 131 ASP CB C 36.674 0.1 1 631 269 132 GLN H H 7.586 0.01 1 632 269 132 GLN N N 118.635 0.1 1 633 269 132 GLN CA C 56.359 0.1 1 634 269 132 GLN C C 171.14 0.1 1 635 269 132 GLN CB C 25.171 0.1 1 636 270 133 CYS H H 8.178 0.01 1 637 270 133 CYS N N 117.683 0.1 1 638 270 133 CYS CA C 62.049 0.1 1 639 270 133 CYS C C 172.123 0.1 1 640 270 133 CYS CB C 25.171 0.1 1 641 271 134 ASN H H 8.525 0.01 1 642 271 134 ASN N N 119.126 0.1 1 643 271 134 ASN CA C 52.486 0.1 1 644 271 134 ASN C C 174.507 0.1 1 645 271 134 ASN CB C 33.833 0.1 1 646 272 135 HIS H H 8.295 0.01 1 647 272 135 HIS N N 122.702 0.1 1 648 272 135 HIS CA C 56.742 0.1 1 649 272 135 HIS C C 171.432 0.1 1 650 272 135 HIS CB C 25.309 0.1 1 651 273 136 ASP H H 7.473 0.01 1 652 273 136 ASP N N 117.525 0.1 1 653 273 136 ASP CA C 51.467 0.1 1 654 273 136 ASP C C 174.923 0.1 1 655 273 136 ASP CB C 37.99 0.1 1 656 274 137 ASN H H 7.77 0.01 1 657 274 137 ASN N N 115.183 0.1 1 658 274 137 ASN CA C 51.396 0.1 1 659 274 137 ASN C C 176.602 0.1 1 660 274 137 ASN CB C 33.763 0.1 1 661 275 138 ILE H H 7.504 0.01 1 662 275 138 ILE N N 117.181 0.1 1 663 275 138 ILE CA C 58.156 0.1 1 664 275 138 ILE C C 177.57 0.1 1 665 275 138 ILE CB C 36.258 0.1 1 666 276 139 LEU H H 8.56 0.01 1 667 276 139 LEU N N 101.74 0.1 1 668 276 139 LEU CA C 51.772 0.1 1 669 276 139 LEU C C 174.788 0.1 1 670 276 139 LEU CB C 39.307 0.1 1 671 277 140 ARG H H 8.773 0.01 1 672 277 140 ARG N N 121.678 0.1 1 673 277 140 ARG CA C 51.735 0.1 1 674 277 140 ARG C C 175.07 0.1 1 675 277 140 ARG CB C 27.596 0.1 1 676 278 141 PHE H H 9.267 0.01 1 677 278 141 PHE N N 121.678 0.1 1 678 278 141 PHE CA C 53.801 0.1 1 679 278 141 PHE C C 175.903 0.1 1 680 278 141 PHE CB C 38.614 0.1 1 681 279 142 GLY H H 9.079 0.01 1 682 279 142 GLY N N 108.778 0.1 1 683 279 142 GLY CA C 42.064 0.1 1 684 279 142 GLY C C 175.385 0.1 1 685 280 143 ILE H H 9.188 0.01 1 686 280 143 ILE N N 124.456 0.1 1 687 280 143 ILE CA C 57.086 0.1 1 688 280 143 ILE C C 180.701 0.1 1 689 280 143 ILE CB C 35.426 0.1 1 690 281 144 ALA H H 8.078 0.01 1 691 281 144 ALA N N 127.947 0.1 1 692 281 144 ALA CA C 47.033 0.1 1 693 281 144 ALA C C 177.469 0.1 1 694 281 144 ALA CB C 16.301 0.1 1 695 282 145 VAL H H 8.887 0.01 1 696 282 145 VAL N N 123.962 0.1 1 697 282 145 VAL CA C 58.308 0.1 1 698 282 145 VAL C C 176.32 0.1 1 699 282 145 VAL CB C 28.358 0.1 1 700 283 146 LEU H H 8.36 0.01 1 701 283 146 LEU N N 124.914 0.1 1 702 283 146 LEU CA C 52.499 0.1 1 703 283 146 LEU C C 174.957 0.1 1 704 283 146 LEU CB C 36.674 0.1 1 705 284 147 GLY H H 6.445 0.01 1 706 284 147 GLY N N 105.054 0.1 1 707 284 147 GLY CA C 46.345 0.1 1 708 284 147 GLY C C 174.935 0.1 1 709 285 148 TYR H H 10.418 0.01 1 710 285 148 TYR N N 129.064 0.1 1 711 285 148 TYR CA C 59.494 0.1 1 712 285 148 TYR C C 177.244 0.1 1 713 285 148 TYR CB C 35.288 0.1 1 714 286 149 LEU H H 8.64 0.01 1 715 286 149 LEU N N 120.539 0.1 1 716 286 149 LEU CA C 56.13 0.1 1 717 286 149 LEU C C 172.097 0.1 1 718 286 149 LEU CB C 37.228 0.1 1 719 287 150 ASN H H 8.53 0.01 1 720 287 150 ASN N N 116.659 0.1 1 721 287 150 ASN CA C 52.843 0.1 1 722 287 150 ASN C C 171.747 0.1 1 723 287 150 ASN CB C 34.733 0.1 1 724 288 151 ARG H H 9.118 0.01 1 725 288 151 ARG N N 121.821 0.1 1 726 288 151 ARG CA C 57.162 0.1 1 727 288 151 ARG C C 170.79 0.1 1 728 288 151 ARG CB C 27.942 0.1 1 729 289 152 ASN H H 7.083 0.01 1 730 289 152 ASN N N 114.818 0.1 1 731 289 152 ASN CA C 50.855 0.1 1 732 289 152 ASN C C 173.516 0.1 1 733 289 152 ASN CB C 37.297 0.1 1 734 290 153 ALA H H 7.689 0.01 1 735 290 153 ALA N N 121.814 0.1 1 736 290 153 ALA CA C 50.243 0.1 1 737 290 153 ALA C C 179.248 0.1 1 738 290 153 ALA CB C 13.044 0.1 1 739 291 154 LEU H H 8.344 0.01 1 740 291 154 LEU N N 118.921 0.1 1 741 291 154 LEU CA C 50.354 0.1 1 742 291 154 LEU C C 175.261 0.1 1 743 291 154 LEU CB C 40.624 0.1 1 744 292 155 ASP H H 8.143 0.01 1 745 292 155 ASP N N 120.031 0.1 1 746 292 155 ASP CA C 52.614 0.1 1 747 292 155 ASP C C 174.428 0.1 1 748 292 155 ASP CB C 39.238 0.1 1 749 293 156 THR H H 8.147 0.01 1 750 293 156 THR N N 114.625 0.1 1 751 293 156 THR CA C 59.112 0.1 1 752 293 156 THR C C 172.862 0.1 1 753 293 156 THR CB C 67.441 0.1 1 754 294 157 LYS H H 8.039 0.01 1 755 294 157 LYS N N 121.32 0.1 1 756 294 157 LYS CA C 57.63 0.1 1 757 294 157 LYS C C 175.769 0.1 1 758 294 157 LYS CB C 28.705 0.1 1 759 295 158 ASN H H 8.5 0.01 1 760 295 158 ASN N N 119.007 0.1 1 761 295 158 ASN CA C 52.805 0.1 1 762 295 158 ASN C C 171.961 0.1 1 763 295 158 ASN CB C 33.763 0.1 1 764 296 159 LEU H H 8.53 0.01 1 765 296 159 LEU N N 124.37 0.1 1 766 296 159 LEU CA C 55.327 0.1 1 767 296 159 LEU C C 172.727 0.1 1 768 296 159 LEU CB C 37.505 0.1 1 769 297 160 ILE H H 7.648 0.01 1 770 297 160 ILE N N 117.518 0.1 1 771 297 160 ILE CA C 62.628 0.1 1 772 297 160 ILE C C 173.775 0.1 1 773 297 160 ILE CB C 34.248 0.1 1 774 298 161 LYS H H 7.735 0.01 1 775 298 161 LYS N N 117.053 0.1 1 776 298 161 LYS CA C 56.895 0.1 1 777 298 161 LYS C C 174.293 0.1 1 778 298 161 LYS CB C 29.398 0.1 1 779 299 162 GLU H H 7.756 0.01 1 780 299 162 GLU N N 120.539 0.1 1 781 299 162 GLU CA C 57.315 0.1 1 782 299 162 GLU C C 172.322 0.1 1 783 299 162 GLU CB C 27.735 0.1 1 784 300 163 ILE H H 8.332 0.01 1 785 300 163 ILE N N 116.716 0.1 1 786 300 163 ILE CA C 58.615 0.1 1 787 300 163 ILE C C 174.079 0.1 1 788 300 163 ILE CB C 31.269 0.1 1 789 301 164 LYS H H 8.25 0.01 1 790 301 164 LYS N N 122.208 0.1 1 791 301 164 LYS CA C 58.08 0.1 1 792 301 164 LYS C C 171.533 0.1 1 793 301 164 LYS CB C 29.259 0.1 1 794 302 165 ALA H H 7.157 0.01 1 795 302 165 ALA N N 117.754 0.1 1 796 302 165 ALA CA C 51.161 0.1 1 797 302 165 ALA C C 173.549 0.1 1 798 302 165 ALA CB C 15.469 0.1 1 799 303 166 ILE H H 7.373 0.01 1 800 303 166 ILE N N 118.377 0.1 1 801 303 166 ILE CA C 60.144 0.1 1 802 303 166 ILE C C 171.432 0.1 1 803 303 166 ILE CB C 36.189 0.1 1 804 304 167 ALA H H 7.309 0.01 1 805 304 167 ALA N N 122.795 0.1 1 806 304 167 ALA CA C 49.518 0.1 1 807 304 167 ALA C C 176.038 0.1 1 808 304 167 ALA CB C 16.093 0.1 1 809 305 168 SER H H 8.588 0.01 1 810 305 168 SER N N 121.8 0.1 1 811 305 168 SER CA C 58.5 0.1 1 812 305 168 SER C C 173.426 0.1 1 813 305 168 SER CB C 60.165 0.1 1 814 306 169 ILE H H 7.167 0.01 1 815 306 169 ILE N N 115.942 0.1 1 816 306 169 ILE CA C 54.487 0.1 1 817 306 169 ILE C C 174.897 0.1 1 818 306 169 ILE CB C 35.981 0.1 1 819 307 170 PRO CA C 59.456 0.1 1 820 307 170 PRO CB C 30.992 0.1 1 821 307 170 PRO C C 175.306 0.1 1 822 308 171 THR H H 8.679 0.01 1 823 308 171 THR N N 122.444 0.1 1 824 308 171 THR CA C 63.546 0.1 1 825 308 171 THR C C 174.105 0.1 1 826 308 171 THR CB C 66.61 0.1 1 827 309 172 GLU H H 9.091 0.01 1 828 309 172 GLU N N 116.58 0.1 1 829 309 172 GLU CA C 56.512 0.1 1 830 309 172 GLU C C 175.692 0.1 1 831 309 172 GLU CB C 25.309 0.1 1 832 310 173 ARG H H 7.537 0.01 1 833 310 173 ARG N N 117.454 0.1 1 834 310 173 ARG CA C 53.951 0.1 1 835 310 173 ARG C C 173.719 0.1 1 836 310 173 ARG CB C 27.873 0.1 1 837 311 174 TYR H H 6.721 0.01 1 838 311 174 TYR N N 114.202 0.1 1 839 311 174 TYR CA C 56.383 0.1 1 840 311 174 TYR C C 175.571 0.1 1 841 311 174 TYR CB C 37.297 0.1 1 842 312 175 PHE H H 7.797 0.01 1 843 312 175 PHE N N 119.701 0.1 1 844 312 175 PHE CA C 52.995 0.1 1 845 312 175 PHE C C 177.379 0.1 1 846 312 175 PHE CB C 38.961 0.1 1 847 313 176 PHE H H 8.227 0.01 1 848 313 176 PHE N N 124.377 0.1 1 849 313 176 PHE CA C 52.833 0.1 1 850 313 176 PHE C C 177.412 0.1 1 851 313 176 PHE CB C 39.03 0.1 1 852 314 177 ASN H H 8.204 0.01 1 853 314 177 ASN N N 117.117 0.1 1 854 314 177 ASN CA C 48.676 0.1 1 855 314 177 ASN C C 179.132 0.1 1 856 314 177 ASN CB C 38.545 0.1 1 857 315 178 VAL H H 8.471 0.01 1 858 315 178 VAL N N 117.446 0.1 1 859 315 178 VAL CA C 56.55 0.1 1 860 315 178 VAL C C 177.156 0.1 1 861 315 178 VAL CB C 30.922 0.1 1 862 316 179 SER H H 8.701 0.01 1 863 316 179 SER N N 119.494 0.1 1 864 316 179 SER CA C 58.935 0.1 1 865 316 179 SER C C 175.409 0.1 1 866 316 179 SER CB C 60.72 0.1 1 867 317 180 ASP H H 7.027 0.01 1 868 317 180 ASP N N 111.74 0.1 1 869 317 180 ASP CA C 50.359 0.1 1 870 317 180 ASP C C 178.04 0.1 1 871 317 180 ASP CB C 40.069 0.1 1 872 318 181 GLU H H 11.588 0.01 1 873 318 181 GLU N N 121.191 0.1 1 874 318 181 GLU CA C 58.958 0.1 1 875 318 181 GLU C C 177.242 0.1 1 876 318 181 GLU CB C 25.656 0.1 1 877 319 182 ALA H H 8.174 0.01 1 878 319 182 ALA N N 121.07 0.1 1 879 319 182 ALA CA C 52.078 0.1 1 880 319 182 ALA C C 172.573 0.1 1 881 319 182 ALA CB C 14.638 0.1 1 882 320 183 ALA H H 7.681 0.01 1 883 320 183 ALA N N 120.059 0.1 1 884 320 183 ALA CA C 50.282 0.1 1 885 320 183 ALA C C 171.775 0.1 1 886 320 183 ALA CB C 15.816 0.1 1 887 321 184 LEU H H 7.311 0.01 1 888 321 184 LEU N N 118.907 0.1 1 889 321 184 LEU CA C 55.125 0.1 1 890 321 184 LEU C C 172.282 0.1 1 891 321 184 LEU CB C 37.921 0.1 1 892 322 185 LEU H H 7.255 0.01 1 893 322 185 LEU N N 117.747 0.1 1 894 322 185 LEU CA C 56.053 0.1 1 895 322 185 LEU C C 172.832 0.1 1 896 322 185 LEU CB C 38.268 0.1 1 897 323 186 GLU H H 7.568 0.01 1 898 323 186 GLU N N 115.448 0.1 1 899 323 186 GLU CA C 55.125 0.1 1 900 323 186 GLU C C 172.174 0.1 1 901 323 186 GLU CB C 26.21 0.1 1 902 324 187 LYS H H 7.629 0.01 1 903 324 187 LYS N N 115.076 0.1 1 904 324 187 LYS CA C 51.353 0.1 1 905 324 187 LYS C C 173.22 0.1 1 906 324 187 LYS CB C 28.22 0.1 1 907 325 188 ALA H H 7.554 0.01 1 908 325 188 ALA N N 121.671 0.1 1 909 325 188 ALA CA C 53.225 0.1 1 910 325 188 ALA C C 174.32 0.1 1 911 325 188 ALA CB C 16.162 0.1 1 912 326 189 GLY H H 8.305 0.01 1 913 326 189 GLY N N 105.684 0.1 1 914 326 189 GLY CA C 43.746 0.1 1 915 326 189 GLY C C 171.592 0.1 1 916 327 190 THR H H 7.622 0.01 1 917 327 190 THR N N 119.079 0.1 1 918 327 190 THR CA C 62.437 0.1 1 919 327 190 THR C C 174.784 0.1 1 920 327 190 THR CB C 65.917 0.1 1 921 328 191 LEU H H 7.939 0.01 1 922 328 191 LEU N N 121.671 0.1 1 923 328 191 LEU CA C 55.519 0.1 1 924 328 191 LEU C C 175 0.1 1 925 328 191 LEU CB C 38.406 0.1 1 926 329 192 GLY H H 7.645 0.01 1 927 329 192 GLY N N 104.328 0.1 1 928 329 192 GLY CA C 44.701 0.1 1 929 329 192 GLY C C 172.746 0.1 1 930 330 193 GLU H H 7.83 0.01 1 931 330 193 GLU N N 120.052 0.1 1 932 330 193 GLU CA C 56.436 0.1 1 933 330 193 GLU C C 175.873 0.1 1 934 330 193 GLU CB C 26.279 0.1 1 935 331 194 GLN H H 8.111 0.01 1 936 331 194 GLN N N 118.198 0.1 1 937 331 194 GLN CA C 55.278 0.1 1 938 331 194 GLN C C 171.29 0.1 1 939 331 194 GLN CB C 25.794 0.1 1 940 332 195 ILE H H 7.884 0.01 1 941 332 195 ILE N N 120.582 0.1 1 942 332 195 ILE CA C 61.749 0.1 1 943 332 195 ILE C C 172.034 0.1 1 944 332 195 ILE CB C 34.11 0.1 1 945 333 196 PHE H H 8.026 0.01 1 946 333 196 PHE N N 118.169 0.1 1 947 333 196 PHE CA C 56.971 0.1 1 948 333 196 PHE C C 174.363 0.1 1 949 333 196 PHE CB C 36.189 0.1 1 950 334 197 SER H H 7.459 0.01 1 951 334 197 SER N N 111.919 0.1 1 952 334 197 SER CA C 55.786 0.1 1 953 334 197 SER C C 174.342 0.1 1 954 334 197 SER CB C 61.274 0.1 1 955 335 198 ILE H H 7.429 0.01 1 956 335 198 ILE N N 123.819 0.1 1 957 335 198 ILE CA C 60.373 0.1 1 958 335 198 ILE C C 176.617 0.1 1 959 335 198 ILE CB C 35.149 0.1 1 960 336 199 GLU H H 8.258 0.01 1 961 336 199 GLU N N 124.921 0.1 1 962 336 199 GLU CA C 53.454 0.1 1 963 336 199 GLU C C 175.172 0.1 1 964 336 199 GLU CB C 27.527 0.1 1 965 337 200 GLY H H 7.779 0.01 1 966 337 200 GLY N N 115.956 0.1 1 967 337 200 GLY CA C 43.249 0.1 1 968 337 200 GLY C C 175.398 0.1 1 stop_ save_