data_18021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of Mg2+ bound Human Integrin Alpha1 I-domain ; _BMRB_accession_number 18021 _BMRB_flat_file_name bmr18021.str _Entry_type original _Submission_date 2011-10-25 _Accession_date 2011-10-25 _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 Chin Yanni K. . 2 Headey Stephen J. . 3 McEwan Paul A. . 4 Emsley Jonas K. . 5 Simpson Jamie S. . 6 Scanlon Martin J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 179 "13C chemical shifts" 544 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2013-02-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18020 'Apo Alpha1 I-domain' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignments of human integrin a1I domain in the apo and Mg2+ bound states.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23339031 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chin 'Yanni K-Y' . . 2 Headey Stephen . . 3 Mohanty Biswaranjan . . 4 Emsley Jonas . . 5 Simpson Jamie S. . 6 Scanlon Martin J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 121 _Year 2014 _Details . loop_ _Keyword 'I domain' Integrin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mg2+ bound alpha1 I-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Alpha1 I-domain' $Integrin_Alpha1_I-domain Mg2+ $MG stop_ _System_molecular_weight 21509 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Responsible for the binding of collagen' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Integrin_Alpha1_I-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Integrin_Alpha1_I-domain _Molecular_mass 21485 _Mol_thiol_state 'all free' loop_ _Biological_function 'Responsible for the binding of collagen' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; STQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDELA LVTIVKTLGERI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 140 SER 2 141 THR 3 142 GLN 4 143 LEU 5 144 ASP 6 145 ILE 7 146 VAL 8 147 ILE 9 148 VAL 10 149 LEU 11 150 ASP 12 151 GLY 13 152 SER 14 153 ASN 15 154 SER 16 155 ILE 17 156 TYR 18 157 PRO 19 158 TRP 20 159 ASP 21 160 SER 22 161 VAL 23 162 THR 24 163 ALA 25 164 PHE 26 165 LEU 27 166 ASN 28 167 ASP 29 168 LEU 30 169 LEU 31 170 GLU 32 171 ARG 33 172 MET 34 173 ASP 35 174 ILE 36 175 GLY 37 176 PRO 38 177 LYS 39 178 GLN 40 179 THR 41 180 GLN 42 181 VAL 43 182 GLY 44 183 ILE 45 184 VAL 46 185 GLN 47 186 TYR 48 187 GLY 49 188 GLU 50 189 ASN 51 190 VAL 52 191 THR 53 192 HIS 54 193 GLU 55 194 PHE 56 195 ASN 57 196 LEU 58 197 ASN 59 198 LYS 60 199 TYR 61 200 SER 62 201 SER 63 202 THR 64 203 GLU 65 204 GLU 66 205 VAL 67 206 LEU 68 207 VAL 69 208 ALA 70 209 ALA 71 210 LYS 72 211 LYS 73 212 ILE 74 213 VAL 75 214 GLN 76 215 ARG 77 216 GLY 78 217 GLY 79 218 ARG 80 219 GLN 81 220 THR 82 221 MET 83 222 THR 84 223 ALA 85 224 LEU 86 225 GLY 87 226 ILE 88 227 ASP 89 228 THR 90 229 ALA 91 230 ARG 92 231 LYS 93 232 GLU 94 233 ALA 95 234 PHE 96 235 THR 97 236 GLU 98 237 ALA 99 238 ARG 100 239 GLY 101 240 ALA 102 241 ARG 103 242 ARG 104 243 GLY 105 244 VAL 106 245 LYS 107 246 LYS 108 247 VAL 109 248 MET 110 249 VAL 111 250 ILE 112 251 VAL 113 252 THR 114 253 ASP 115 254 GLY 116 255 GLU 117 256 SER 118 257 HIS 119 258 ASP 120 259 ASN 121 260 HIS 122 261 ARG 123 262 LEU 124 263 LYS 125 264 LYS 126 265 VAL 127 266 ILE 128 267 GLN 129 268 ASP 130 269 CYS 131 270 GLU 132 271 ASP 133 272 GLU 134 273 ASN 135 274 ILE 136 275 GLN 137 276 ARG 138 277 PHE 139 278 SER 140 279 ILE 141 280 ALA 142 281 ILE 143 282 LEU 144 283 GLY 145 284 SER 146 285 TYR 147 286 ASN 148 287 ARG 149 288 GLY 150 289 ASN 151 290 LEU 152 291 SER 153 292 THR 154 293 GLU 155 294 LYS 156 295 PHE 157 296 VAL 158 297 GLU 159 298 GLU 160 299 ILE 161 300 LYS 162 301 SER 163 302 ILE 164 303 ALA 165 304 SER 166 305 GLU 167 306 PRO 168 307 THR 169 308 GLU 170 309 LYS 171 310 HIS 172 311 PHE 173 312 PHE 174 313 ASN 175 314 VAL 176 315 SER 177 316 ASP 178 317 GLU 179 318 LEU 180 319 ALA 181 320 LEU 182 321 VAL 183 322 THR 184 323 ILE 185 324 VAL 186 325 LYS 187 326 THR 188 327 LEU 189 328 GLY 190 329 GLU 191 330 ARG 192 331 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-03 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 18020 Integrin_Alpha1_I-domain 100.00 192 100.00 100.00 3.97e-137 BMRB 18942 entity_1 100.00 192 100.00 100.00 3.97e-137 PDB 1PT6 "I Domain From Human Integrin Alpha1-beta1" 100.00 213 98.96 99.48 1.09e-135 PDB 1QC5 "I Domain From Integrin Alpha1-beta1" 100.00 192 99.48 100.00 1.34e-136 PDB 1QCY "The Crystal Structure Of The I-domain Of Human Integrin Alpha1beta1" 99.48 193 98.43 98.95 5.03e-134 PDB 2M32 "Alpha-1 Integrin I-domain In Complex With Glogen Triple Helical Peptide" 100.00 192 100.00 100.00 3.97e-137 PDB 4A0Q "Activated Conformation Of Integrin Alpha1 I-Domain Mutant" 100.00 201 98.96 98.96 7.78e-136 DBJ BAG62150 "unnamed protein product [Homo sapiens]" 100.00 1173 100.00 100.00 1.13e-125 GB AAI37122 "Integrin, alpha 1 [Homo sapiens]" 100.00 1179 100.00 100.00 1.18e-125 GB AAI37123 "Integrin, alpha 1 [Homo sapiens]" 100.00 1179 100.00 100.00 1.18e-125 GB EAW54866 "hCG2002731, isoform CRA_c [Homo sapiens]" 100.00 766 100.00 100.00 2.61e-129 GB EAW54867 "hCG2002731, isoform CRA_d [Homo sapiens]" 100.00 768 100.00 100.00 3.36e-129 GB EAW54868 "hCG2002731, isoform CRA_e [Homo sapiens]" 100.00 1177 100.00 100.00 1.02e-125 REF NP_852478 "integrin alpha-1 precursor [Homo sapiens]" 100.00 1179 100.00 100.00 1.18e-125 REF XP_001094788 "PREDICTED: integrin alpha-1 [Macaca mulatta]" 100.00 1179 100.00 100.00 1.57e-125 REF XP_002815595 "PREDICTED: integrin alpha-1 [Pongo abelii]" 100.00 1179 99.48 100.00 7.65e-125 REF XP_003276564 "PREDICTED: integrin alpha-1 [Nomascus leucogenys]" 100.00 1179 99.48 100.00 5.71e-125 REF XP_003827398 "PREDICTED: integrin alpha-1 [Pan paniscus]" 100.00 1179 100.00 100.00 1.22e-125 SP P56199 "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" 100.00 1179 100.00 100.00 1.18e-125 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 Wed Oct 26 15:05:09 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 $Integrin_Alpha1_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 $Integrin_Alpha1_I-domain 'recombinant technology' . Escherichia coli 'BL21 CODON+ RP (DE3)' p28a+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1H_13C_15N_Alpha1I+Mg _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Integrin_Alpha1_I-domain 0.4 mM '[U-99% 13C; U-99% 15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'Magnesium chloride' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $1H_13C_15N_Alpha1I+Mg save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $1H_13C_15N_Alpha1I+Mg save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $1H_13C_15N_Alpha1I+Mg save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $1H_13C_15N_Alpha1I+Mg save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $1H_13C_15N_Alpha1I+Mg save_ ####################### # Sample conditions # ####################### save_Mg_Condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.7546646 na indirect . . . 0.251449530 water H 1 protons ppm 4.7546646 internal direct . . . 1.000000000 water N 15 protons ppm 4.7546646 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Mg_A1_Assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HCACO' stop_ loop_ _Sample_label $1H_13C_15N_Alpha1I+Mg stop_ _Sample_conditions_label $Mg_Condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Alpha1 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 1 1 SER C C 174.578 . . 2 1 1 SER CA C 58.359 . . 3 1 1 SER CB C 63.416 . . 4 2 2 THR H H 8.18 . . 5 2 2 THR C C 174.536 . . 6 2 2 THR CA C 61.849 . . 7 2 2 THR CB C 69.32 . . 8 2 2 THR N N 115.944 . . 9 3 3 GLN H H 8.281 . . 10 3 3 GLN C C 174.494 . . 11 3 3 GLN CA C 56.02 . . 12 3 3 GLN CB C 29.52 . . 13 3 3 GLN N N 122.744 . . 14 4 4 LEU H H 6.996 . . 15 4 4 LEU C C 174.796 . . 16 4 4 LEU CA C 54.12 . . 17 4 4 LEU CB C 46.52 . . 18 4 4 LEU N N 121.547 . . 19 5 5 ASP H H 8.913 . . 20 5 5 ASP C C 173.54 . . 21 5 5 ASP CA C 53.82 . . 22 5 5 ASP CB C 42.12 . . 23 5 5 ASP N N 125.974 . . 24 6 6 ILE H H 8.991 . . 25 6 6 ILE C C 174.327 . . 26 6 6 ILE CA C 58.82 . . 27 6 6 ILE CB C 40.22 . . 28 6 6 ILE N N 122.82 . . 29 7 7 VAL H H 8.955 . . 30 7 7 VAL C C 175.466 . . 31 7 7 VAL CA C 59.32 . . 32 7 7 VAL CB C 33.72 . . 33 7 7 VAL N N 124.225 . . 34 8 8 ILE H H 8.52 . . 35 8 8 ILE C C 173.557 . . 36 8 8 ILE CA C 59.42 . . 37 8 8 ILE CB C 38.02 . . 38 8 8 ILE N N 127.455 . . 39 9 9 VAL H H 9.656 . . 40 9 9 VAL C C 174.076 . . 41 9 9 VAL CA C 61.22 . . 42 9 9 VAL CB C 32.12 . . 43 9 9 VAL N N 129.559 . . 44 10 10 LEU H H 9.245 . . 45 10 10 LEU C C 174.21 . . 46 10 10 LEU CA C 53.32 . . 47 10 10 LEU CB C 45.22 . . 48 10 10 LEU N N 125.114 . . 49 11 11 ASP H H 8.141 . . 50 11 11 ASP C C 174.411 . . 51 11 11 ASP CA C 53.32 . . 52 11 11 ASP CB C 42.32 . . 53 11 11 ASP N N 128.078 . . 54 12 12 GLY H H 8.203 . . 55 12 12 GLY C C 176.052 . . 56 12 12 GLY CA C 44.612 . . 57 12 12 GLY N N 112.195 . . 58 13 13 SER H H 8.972 . . 59 13 13 SER C C 175.299 . . 60 13 13 SER CA C 58.34 . . 61 13 13 SER CB C 63.452 . . 62 13 13 SER N N 112.639 . . 63 14 14 ASN H H 8.437 . . 64 14 14 ASN C C 174.612 . . 65 14 14 ASN CA C 55.12 . . 66 14 14 ASN CB C 38.212 . . 67 14 14 ASN N N 116.078 . . 68 15 15 SER H H 7.256 . . 69 15 15 SER C C 173.892 . . 70 15 15 SER CA C 59.734 . . 71 15 15 SER CB C 61.792 . . 72 15 15 SER N N 112.618 . . 73 16 16 ILE H H 7.063 . . 74 16 16 ILE C C 175.951 . . 75 16 16 ILE CA C 61.859 . . 76 16 16 ILE CB C 37.758 . . 77 16 16 ILE N N 123.889 . . 78 17 17 TYR H H 9.388 . . 79 17 17 TYR CA C 55.611 . . 80 17 17 TYR CB C 41.556 . . 81 17 17 TYR N N 128.137 . . 82 18 18 PRO C C 177.776 . . 83 18 18 PRO CA C 61.52 . . 84 18 18 PRO CB C 32.92 . . 85 19 19 TRP H H 9.379 . . 86 19 19 TRP C C 177.073 . . 87 19 19 TRP CA C 58.82 . . 88 19 19 TRP CB C 29.12 . . 89 19 19 TRP N N 126.003 . . 90 20 20 ASP H H 8.466 . . 91 20 20 ASP C C 178.094 . . 92 20 20 ASP CA C 55.52 . . 93 20 20 ASP CB C 39.62 . . 94 20 20 ASP N N 113.528 . . 95 21 21 SER H H 7.486 . . 96 21 21 SER C C 176.37 . . 97 21 21 SER CA C 62.124 . . 98 21 21 SER CB C 62.903 . . 99 21 21 SER N N 114.799 . . 100 22 22 VAL H H 7.428 . . 101 22 22 VAL C C 178.094 . . 102 22 22 VAL CA C 65.62 . . 103 22 22 VAL CB C 29.72 . . 104 22 22 VAL N N 124.049 . . 105 23 23 THR H H 7.506 . . 106 23 23 THR C C 177.76 . . 107 23 23 THR CA C 65.517 . . 108 23 23 THR CB C 67.12 . . 109 23 23 THR N N 110.392 . . 110 24 24 ALA H H 7.937 . . 111 24 24 ALA C C 178.731 . . 112 24 24 ALA CA C 54.92 . . 113 24 24 ALA CB C 17.92 . . 114 24 24 ALA N N 124.64 . . 115 25 25 PHE H H 7.141 . . 116 25 25 PHE C C 175.348 . . 117 25 25 PHE CA C 60.32 . . 118 25 25 PHE CB C 38.32 . . 119 25 25 PHE N N 118.282 . . 120 26 26 LEU H H 7.928 . . 121 26 26 LEU C C 177.977 . . 122 26 26 LEU CA C 57.02 . . 123 26 26 LEU CB C 41.42 . . 124 26 26 LEU N N 115.961 . . 125 27 27 ASN H H 8.059 . . 126 27 27 ASN C C 175.683 . . 127 27 27 ASN CA C 57.211 . . 128 27 27 ASN CB C 40.22 . . 129 27 27 ASN N N 115.187 . . 130 28 28 ASP H H 8.312 . . 131 28 28 ASP C C 178.212 . . 132 28 28 ASP CA C 56.411 . . 133 28 28 ASP CB C 39.491 . . 134 28 28 ASP N N 117.202 . . 135 29 29 LEU H H 7.989 . . 136 29 29 LEU C C 177.86 . . 137 29 29 LEU CA C 57.02 . . 138 29 29 LEU CB C 42.32 . . 139 29 29 LEU N N 119.104 . . 140 30 30 LEU H H 7.952 . . 141 30 30 LEU C C 179.233 . . 142 30 30 LEU CA C 56.62 . . 143 30 30 LEU CB C 40.82 . . 144 30 30 LEU N N 115.488 . . 145 31 31 GLU H H 8.221 . . 146 31 31 GLU C C 176.939 . . 147 31 31 GLU CA C 58.42 . . 148 31 31 GLU CB C 28.32 . . 149 31 31 GLU N N 114.832 . . 150 32 32 ARG H H 6.791 . . 151 32 32 ARG C C 176.437 . . 152 32 32 ARG CA C 54.92 . . 153 32 32 ARG CB C 29.82 . . 154 32 32 ARG N N 113.812 . . 155 33 33 MET H H 7.708 . . 156 33 33 MET C C 174.779 . . 157 33 33 MET CA C 55.32 . . 158 33 33 MET CB C 33.62 . . 159 33 33 MET N N 118.288 . . 160 34 34 ASP H H 8.846 . . 161 34 34 ASP C C 173.791 . . 162 34 34 ASP CA C 52.82 . . 163 34 34 ASP CB C 40.02 . . 164 34 34 ASP N N 123.633 . . 165 35 35 ILE H H 7.175 . . 166 35 35 ILE C C 176.587 . . 167 35 35 ILE CA C 58.12 . . 168 35 35 ILE CB C 37.22 . . 169 35 35 ILE N N 123.613 . . 170 36 36 GLY H H 8.872 . . 171 36 36 GLY CA C 45.12 . . 172 36 36 GLY N N 112.935 . . 173 37 37 PRO C C 178.479 . . 174 37 37 PRO CA C 64.22 . . 175 37 37 PRO CB C 31.42 . . 176 38 38 LYS H H 8.299 . . 177 38 38 LYS C C 176.387 . . 178 38 38 LYS CA C 54.22 . . 179 38 38 LYS CB C 31.92 . . 180 38 38 LYS N N 116.806 . . 181 39 39 GLN H H 7.72 . . 182 39 39 GLN C C 176.119 . . 183 39 39 GLN CA C 55.02 . . 184 39 39 GLN CB C 28.62 . . 185 39 39 GLN N N 121.938 . . 186 40 40 THR H H 8.753 . . 187 40 40 THR C C 172.502 . . 188 40 40 THR CA C 63.313 . . 189 40 40 THR CB C 69.269 . . 190 40 40 THR N N 125.351 . . 191 41 41 GLN H H 8.968 . . 192 41 41 GLN C C 174.176 . . 193 41 41 GLN CA C 54.42 . . 194 41 41 GLN CB C 33.22 . . 195 41 41 GLN N N 122.982 . . 196 42 42 VAL H H 8.131 . . 197 42 42 VAL C C 173.356 . . 198 42 42 VAL CA C 59.42 . . 199 42 42 VAL CB C 35.92 . . 200 42 42 VAL N N 118.625 . . 201 43 43 GLY H H 8.698 . . 202 43 43 GLY C C 172.234 . . 203 43 43 GLY CA C 42.82 . . 204 43 43 GLY N N 110.624 . . 205 44 44 ILE H H 7.216 . . 206 44 44 ILE C C 174.193 . . 207 44 44 ILE CA C 60.22 . . 208 44 44 ILE CB C 40.62 . . 209 44 44 ILE N N 115.442 . . 210 45 45 VAL H H 9.25 . . 211 45 45 VAL C C 173.423 . . 212 45 45 VAL CA C 59.32 . . 213 45 45 VAL CB C 34.806 . . 214 45 45 VAL N N 126.833 . . 215 46 46 GLN H H 9.298 . . 216 46 46 GLN C C 174.243 . . 217 46 46 GLN CA C 53.014 . . 218 46 46 GLN CB C 31.82 . . 219 46 46 GLN N N 125.381 . . 220 47 47 TYR H H 9.539 . . 221 47 47 TYR C C 172.753 . . 222 47 47 TYR CA C 54.817 . . 223 47 47 TYR CB C 43.747 . . 224 47 47 TYR N N 125.085 . . 225 48 48 GLY H H 7.951 . . 226 48 48 GLY C C 173.59 . . 227 48 48 GLY CA C 47.52 . . 228 48 48 GLY N N 110.446 . . 229 49 49 GLU H H 8.962 . . 230 49 49 GLU C C 174.963 . . 231 49 49 GLU CA C 57.675 . . 232 49 49 GLU CB C 29.72 . . 233 49 49 GLU N N 127.011 . . 234 50 50 ASN H H 7.782 . . 235 50 50 ASN C C 174.193 . . 236 50 50 ASN CA C 50.638 . . 237 50 50 ASN CB C 40.82 . . 238 50 50 ASN N N 113.766 . . 239 51 51 VAL H H 8.733 . . 240 51 51 VAL C C 174.813 . . 241 51 51 VAL CA C 61.725 . . 242 51 51 VAL CB C 33.615 . . 243 51 51 VAL N N 118.329 . . 244 52 52 THR H H 9.149 . . 245 52 52 THR C C 173.607 . . 246 52 52 THR CA C 61.471 . . 247 52 52 THR CB C 71.571 . . 248 52 52 THR N N 122.388 . . 249 53 53 HIS H H 9.046 . . 250 53 53 HIS C C 175.65 . . 251 53 53 HIS CA C 56.325 . . 252 53 53 HIS CB C 30.439 . . 253 53 53 HIS N N 126.329 . . 254 54 54 GLU H H 8.943 . . 255 54 54 GLU C C 178.913 . . 256 54 54 GLU CA C 57.755 . . 257 54 54 GLU CB C 27.58 . . 258 54 54 GLU N N 127.752 . . 259 55 55 PHE H H 7.249 . . 260 55 55 PHE C C 174.277 . . 261 55 55 PHE CA C 56.547 . . 262 55 55 PHE CB C 40.348 . . 263 55 55 PHE N N 106.214 . . 264 56 56 ASN H H 8.3 . . 265 56 56 ASN C C 176.32 . . 266 56 56 ASN CA C 51.402 . . 267 56 56 ASN CB C 39.094 . . 268 56 56 ASN N N 119.218 . . 269 57 57 LEU H H 9.203 . . 270 57 57 LEU C C 176.035 . . 271 57 57 LEU CA C 58.273 . . 272 57 57 LEU CB C 43.269 . . 273 57 57 LEU N N 122.872 . . 274 58 58 ASN H H 7.401 . . 275 58 58 ASN C C 177.04 . . 276 58 58 ASN CA C 50.572 . . 277 58 58 ASN CB C 38.289 . . 278 58 58 ASN N N 108.349 . . 279 59 59 LYS H H 7.844 . . 280 59 59 LYS C C 176.387 . . 281 59 59 LYS CA C 58.672 . . 282 59 59 LYS CB C 32.381 . . 283 59 59 LYS N N 121.754 . . 284 60 60 TYR H H 8.8 . . 285 60 60 TYR C C 176.52 . . 286 60 60 TYR CA C 56.405 . . 287 60 60 TYR CB C 40.365 . . 288 60 60 TYR N N 115.513 . . 289 61 61 SER H H 8.96 . . 290 61 61 SER C C 172 . . 291 61 61 SER CA C 57.04 . . 292 61 61 SER CB C 64.02 . . 293 61 61 SER N N 114.032 . . 294 62 62 SER H H 7.306 . . 295 62 62 SER C C 174.427 . . 296 62 62 SER CA C 56.614 . . 297 62 62 SER CB C 66.572 . . 298 62 62 SER N N 111.126 . . 299 63 63 THR H H 9.268 . . 300 63 63 THR C C 175.6 . . 301 63 63 THR CA C 66.938 . . 302 63 63 THR CB C 68.713 . . 303 63 63 THR N N 120.344 . . 304 64 64 GLU H H 8.931 . . 305 64 64 GLU C C 178.866 . . 306 64 64 GLU CA C 60.057 . . 307 64 64 GLU CB C 28.851 . . 308 64 64 GLU N N 119.04 . . 309 65 65 GLU H H 7.324 . . 310 65 65 GLU C C 179.25 . . 311 65 65 GLU CA C 58.672 . . 312 65 65 GLU CB C 30.522 . . 313 65 65 GLU N N 114.615 . . 314 66 66 VAL H H 7.361 . . 315 66 66 VAL C C 176.688 . . 316 66 66 VAL CA C 65.51 . . 317 66 66 VAL CB C 30.787 . . 318 66 66 VAL N N 118.793 . . 319 67 67 LEU H H 8.09 . . 320 67 67 LEU C C 180.12 . . 321 67 67 LEU CA C 57.609 . . 322 67 67 LEU CB C 40.414 . . 323 67 67 LEU N N 118.862 . . 324 68 68 VAL H H 7.101 . . 325 68 68 VAL C C 178.212 . . 326 68 68 VAL CA C 65.776 . . 327 68 68 VAL CB C 31.517 . . 328 68 68 VAL N N 117.393 . . 329 69 69 ALA H H 6.929 . . 330 69 69 ALA C C 181.678 . . 331 69 69 ALA CA C 54.555 . . 332 69 69 ALA CB C 19.501 . . 333 69 69 ALA N N 119.642 . . 334 70 70 ALA H H 8.92 . . 335 70 70 ALA C C 178.25 . . 336 70 70 ALA CA C 54.755 . . 337 70 70 ALA CB C 17.098 . . 338 70 70 ALA N N 120.492 . . 339 71 71 LYS H H 7.073 . . 340 71 71 LYS C C 177.63 . . 341 71 71 LYS CA C 57.925 . . 342 71 71 LYS CB C 32.196 . . 343 71 71 LYS N N 111.32 . . 344 72 72 LYS H H 7.256 . . 345 72 72 LYS C C 176.839 . . 346 72 72 LYS CA C 55.485 . . 347 72 72 LYS CB C 32.845 . . 348 72 72 LYS N N 115.029 . . 349 73 73 ILE H H 7.118 . . 350 73 73 ILE C C 176.922 . . 351 73 73 ILE CA C 62.788 . . 352 73 73 ILE CB C 37.294 . . 353 73 73 ILE N N 120.308 . . 354 74 74 VAL H H 8.532 . . 355 74 74 VAL C C 173.641 . . 356 74 74 VAL CA C 59.82 . . 357 74 74 VAL CB C 33.044 . . 358 74 74 VAL N N 128.226 . . 359 75 75 GLN H H 7.647 . . 360 75 75 GLN C C 177.123 . . 361 75 75 GLN CA C 54.887 . . 362 75 75 GLN CB C 27.136 . . 363 75 75 GLN N N 123.43 . . 364 76 76 ARG H H 9.529 . . 365 76 76 ARG C C 178.094 . . 366 76 76 ARG CA C 57.675 . . 367 76 76 ARG CB C 29.248 . . 368 76 76 ARG N N 129.381 . . 369 77 77 GLY H H 7.694 . . 370 77 77 GLY C C 174.038 . . 371 77 77 GLY CA C 45.393 . . 372 77 77 GLY N N 107.02 . . 373 78 78 GLY H H 7.885 . . 374 78 78 GLY CA C 44.929 . . 375 78 78 GLY N N 105.709 . . 376 80 80 GLN CA C 54.56 . . 377 80 80 GLN CB C 31.319 . . 378 81 81 THR H H 10.126 . . 379 81 81 THR CA C 61.316 . . 380 81 81 THR CB C 69.407 . . 381 81 81 THR N N 121.204 . . 382 82 82 MET H H 8.42 . . 383 82 82 MET C C 174.779 . . 384 82 82 MET CA C 52.276 . . 385 82 82 MET CB C 27.977 . . 386 82 82 MET N N 129.026 . . 387 83 83 THR H H 7.393 . . 388 83 83 THR C C 175.867 . . 389 83 83 THR CA C 65.51 . . 390 83 83 THR CB C 68.498 . . 391 83 83 THR N N 118.549 . . 392 84 84 ALA H H 10.153 . . 393 84 84 ALA C C 179.408 . . 394 84 84 ALA CA C 56.166 . . 395 84 84 ALA CB C 16.225 . . 396 84 84 ALA N N 125.422 . . 397 85 85 LEU H H 8.8 . . 398 85 85 LEU C C 181.292 . . 399 85 85 LEU CA C 57.516 . . 400 85 85 LEU CB C 40.92 . . 401 85 85 LEU N N 120.907 . . 402 86 86 GLY H H 8.607 . . 403 86 86 GLY C C 174.059 . . 404 86 86 GLY CA C 46.955 . . 405 86 86 GLY N N 109.854 . . 406 87 87 ILE H H 8.277 . . 407 87 87 ILE C C 177.76 . . 408 87 87 ILE CA C 65.695 . . 409 87 87 ILE CB C 38.3 . . 410 87 87 ILE N N 120.492 . . 411 88 88 ASP H H 8.906 . . 412 88 88 ASP C C 178.932 . . 413 88 88 ASP CA C 56.961 . . 414 88 88 ASP CB C 42.27 . . 415 88 88 ASP N N 118.743 . . 416 89 89 THR H H 8.463 . . 417 89 89 THR C C 176.889 . . 418 89 89 THR CA C 66.904 . . 419 89 89 THR CB C 67.701 . . 420 89 89 THR N N 112.673 . . 421 90 90 ALA H H 8.19 . . 422 90 90 ALA C C 178.295 . . 423 90 90 ALA CA C 55.214 . . 424 90 90 ALA CB C 17.972 . . 425 90 90 ALA N N 125.411 . . 426 91 91 ARG H H 8.532 . . 427 91 91 ARG C C 177.324 . . 428 91 91 ARG CA C 60.375 . . 429 91 91 ARG CB C 29.645 . . 430 91 91 ARG N N 116.551 . . 431 92 92 LYS H H 8.525 . . 432 92 92 LYS C C 177.056 . . 433 92 92 LYS CA C 58.072 . . 434 92 92 LYS CB C 33.536 . . 435 92 92 LYS N N 113.024 . . 436 93 93 GLU H H 8.454 . . 437 93 93 GLU C C 177.642 . . 438 93 93 GLU CA C 56.72 . . 439 93 93 GLU CB C 32.106 . . 440 93 93 GLU N N 112.55 . . 441 94 94 ALA H H 8.062 . . 442 94 94 ALA C C 178.346 . . 443 94 94 ALA CA C 55.122 . . 444 94 94 ALA CB C 19.084 . . 445 94 94 ALA N N 121.025 . . 446 95 95 PHE H H 7.161 . . 447 95 95 PHE C C 175.335 . . 448 95 95 PHE CA C 57.41 . . 449 95 95 PHE CB C 36.696 . . 450 95 95 PHE N N 112.504 . . 451 96 96 THR H H 7.104 . . 452 96 96 THR C C 176.487 . . 453 96 96 THR CA C 59.136 . . 454 96 96 THR CB C 72.149 . . 455 96 96 THR N N 106.035 . . 456 98 98 ALA C C 179.253 . . 457 98 98 ALA CA C 54.547 . . 458 98 98 ALA CB C 17.902 . . 459 99 99 ARG H H 7.118 . . 460 99 99 ARG C C 174.003 . . 461 99 99 ARG CA C 56.414 . . 462 99 99 ARG CB C 29.327 . . 463 99 99 ARG N N 114.386 . . 464 100 100 GLY H H 7.55 . . 465 100 100 GLY C C 174.026 . . 466 100 100 GLY CA C 45.261 . . 467 100 100 GLY N N 102.303 . . 468 101 101 ALA H H 7.87 . . 469 101 101 ALA C C 178.044 . . 470 101 101 ALA CA C 52.63 . . 471 101 101 ALA CB C 17.642 . . 472 101 101 ALA N N 123.476 . . 473 102 102 ARG H H 9.46 . . 474 102 102 ARG C C 176.604 . . 475 102 102 ARG CA C 54.737 . . 476 102 102 ARG CB C 31.947 . . 477 102 102 ARG N N 124.759 . . 478 103 103 ARG H H 8.623 . . 479 103 103 ARG C C 178.212 . . 480 103 103 ARG CA C 57.119 . . 481 103 103 ARG CB C 29.406 . . 482 103 103 ARG N N 123.781 . . 483 104 104 GLY C C 174.26 . . 484 104 104 GLY CA C 45.46 . . 485 105 105 VAL H H 7.269 . . 486 105 105 VAL C C 175.834 . . 487 105 105 VAL CA C 60.863 . . 488 105 105 VAL CB C 31.517 . . 489 105 105 VAL N N 117.668 . . 490 106 106 LYS H H 8.26 . . 491 106 106 LYS C C 174.076 . . 492 106 106 LYS CA C 57.278 . . 493 106 106 LYS CB C 32.821 . . 494 106 106 LYS N N 127.455 . . 495 107 107 LYS H H 8.418 . . 496 107 107 LYS C C 176.253 . . 497 107 107 LYS CA C 54.975 . . 498 107 107 LYS CB C 34.647 . . 499 107 107 LYS N N 123.929 . . 500 108 108 VAL H H 9.019 . . 501 108 108 VAL C C 173.858 . . 502 108 108 VAL CA C 60.132 . . 503 108 108 VAL CB C 36.165 . . 504 108 108 VAL N N 122.645 . . 505 109 109 MET H H 9.777 . . 506 109 109 MET C C 175.081 . . 507 109 109 MET CA C 53.159 . . 508 109 109 MET CB C 38.697 . . 509 109 109 MET N N 126.196 . . 510 110 110 VAL H H 8.587 . . 511 110 110 VAL C C 174.109 . . 512 110 110 VAL CA C 60.534 . . 513 110 110 VAL CB C 33.615 . . 514 110 110 VAL N N 124.611 . . 515 111 111 ILE H H 9.323 . . 516 111 111 ILE C C 173.992 . . 517 111 111 ILE CA C 60.931 . . 518 111 111 ILE CB C 41.079 . . 519 111 111 ILE N N 128.374 . . 520 112 112 VAL H H 8.831 . . 521 112 112 VAL C C 174.143 . . 522 112 112 VAL CA C 60.613 . . 523 112 112 VAL CB C 33.218 . . 524 112 112 VAL N N 127.485 . . 525 113 113 THR H H 8.669 . . 526 113 113 THR C C 171.57 . . 527 113 113 THR CA C 59.819 . . 528 113 113 THR CB C 69.189 . . 529 113 113 THR N N 118.003 . . 530 114 114 ASP C C 177.132 . . 531 114 114 ASP CA C 51.458 . . 532 114 114 ASP CB C 44.22 . . 533 115 115 GLY H H 7.893 . . 534 115 115 GLY C C 170.834 . . 535 115 115 GLY CA C 45.783 . . 536 115 115 GLY N N 111.861 . . 537 116 116 GLU H H 6.971 . . 538 116 116 GLU C C 176.638 . . 539 116 116 GLU CA C 56.149 . . 540 116 116 GLU CB C 31.318 . . 541 116 116 GLU N N 116.531 . . 542 117 117 SER H H 10.492 . . 543 117 117 SER C C 177.227 . . 544 117 117 SER CA C 58.707 . . 545 117 117 SER CB C 64.822 . . 546 117 117 SER N N 119.621 . . 547 118 118 HIS H H 9.193 . . 548 118 118 HIS C C 175.918 . . 549 118 118 HIS CA C 58.738 . . 550 118 118 HIS CB C 31.451 . . 551 118 118 HIS N N 121.445 . . 552 119 119 ASP H H 8.704 . . 553 119 119 ASP C C 176.135 . . 554 119 119 ASP CA C 51.323 . . 555 119 119 ASP CB C 38.538 . . 556 119 119 ASP N N 119.721 . . 557 120 120 ASN H H 7.394 . . 558 120 120 ASN C C 177.111 . . 559 120 120 ASN CA C 56.547 . . 560 120 120 ASN CB C 38.489 . . 561 120 120 ASN N N 115.511 . . 562 121 121 HIS C C 176.498 . . 563 121 121 HIS CA C 57.97 . . 564 121 121 HIS CB C 29.027 . . 565 122 122 ARG H H 7.316 . . 566 122 122 ARG C C 176.571 . . 567 122 122 ARG CA C 55.485 . . 568 122 122 ARG CB C 31.12 . . 569 122 122 ARG N N 117.622 . . 570 123 123 LEU H H 7.267 . . 571 123 123 LEU C C 177.073 . . 572 123 123 LEU CA C 58.406 . . 573 123 123 LEU CB C 41.875 . . 574 123 123 LEU N N 119.137 . . 575 124 124 LYS H H 8.446 . . 576 124 124 LYS C C 179.333 . . 577 124 124 LYS CA C 60.216 . . 578 124 124 LYS CB C 31.312 . . 579 124 124 LYS N N 116.728 . . 580 125 125 LYS H H 7.847 . . 581 125 125 LYS C C 177.374 . . 582 125 125 LYS CA C 58.141 . . 583 125 125 LYS CB C 32.049 . . 584 125 125 LYS N N 119.642 . . 585 126 126 VAL H H 7.778 . . 586 126 126 VAL C C 179.735 . . 587 126 126 VAL CA C 65.842 . . 588 126 126 VAL CB C 31.453 . . 589 126 126 VAL N N 117.645 . . 590 127 127 ILE H H 8.723 . . 591 127 127 ILE C C 177.86 . . 592 127 127 ILE CA C 63.631 . . 593 127 127 ILE CB C 35.124 . . 594 127 127 ILE N N 119.958 . . 595 128 128 GLN H H 7.964 . . 596 128 128 GLN C C 178.346 . . 597 128 128 GLN CA C 58.406 . . 598 128 128 GLN CB C 27.534 . . 599 128 128 GLN N N 121.084 . . 600 129 129 ASP H H 8.6 . . 601 129 129 ASP C C 179.534 . . 602 129 129 ASP CA C 57.596 . . 603 129 129 ASP CB C 39.253 . . 604 129 129 ASP N N 119.188 . . 605 130 130 CYS H H 7.697 . . 606 130 130 CYS C C 176.855 . . 607 130 130 CYS CA C 64.116 . . 608 130 130 CYS CB C 27.136 . . 609 130 130 CYS N N 115.488 . . 610 131 131 GLU H H 8.583 . . 611 131 131 GLU C C 175.332 . . 612 131 131 GLU CA C 58.707 . . 613 131 131 GLU CB C 28.692 . . 614 131 131 GLU N N 122.922 . . 615 132 132 ASP H H 8.89 . . 616 132 132 ASP C C 177.726 . . 617 132 132 ASP CA C 56.614 . . 618 132 132 ASP CB C 39.883 . . 619 132 132 ASP N N 121.076 . . 620 133 133 GLU H H 7.109 . . 621 133 133 GLU C C 174.829 . . 622 133 133 GLU CA C 55.817 . . 623 133 133 GLU CB C 29.459 . . 624 133 133 GLU N N 116.452 . . 625 134 134 ASN H H 8.069 . . 626 134 134 ASN C C 174.645 . . 627 134 134 ASN CA C 53.924 . . 628 134 134 ASN CB C 36.496 . . 629 134 134 ASN N N 113.884 . . 630 135 135 ILE H H 7.721 . . 631 135 135 ILE C C 175.197 . . 632 135 135 ILE CA C 61.062 . . 633 135 135 ILE CB C 38.625 . . 634 135 135 ILE N N 118.4 . . 635 136 136 GLN H H 8.163 . . 636 136 136 GLN C C 175.114 . . 637 136 136 GLN CA C 55.553 . . 638 136 136 GLN CB C 29.029 . . 639 136 136 GLN N N 131.329 . . 640 137 137 ARG H H 9.209 . . 641 137 137 ARG C C 175.667 . . 642 137 137 ARG CA C 54.499 . . 643 137 137 ARG CB C 30.677 . . 644 137 137 ARG N N 124.048 . . 645 138 138 PHE H H 9.216 . . 646 138 138 PHE C C 175.533 . . 647 138 138 PHE CA C 56.405 . . 648 138 138 PHE CB C 41.714 . . 649 138 138 PHE N N 121.944 . . 650 139 139 SER H H 9.677 . . 651 139 139 SER C C 171.665 . . 652 139 139 SER CA C 55.372 . . 653 139 139 SER CB C 66.807 . . 654 139 139 SER N N 116.99 . . 655 140 140 ILE H H 9.015 . . 656 140 140 ILE C C 173.959 . . 657 140 140 ILE CA C 59.66 . . 658 140 140 ILE CB C 40.682 . . 659 140 140 ILE N N 122.181 . . 660 141 141 ALA H H 8.454 . . 661 141 141 ALA C C 180.991 . . 662 141 141 ALA CA C 49.02 . . 663 141 141 ALA CB C 19.242 . . 664 141 141 ALA N N 126.981 . . 665 142 142 ILE H H 8.891 . . 666 142 142 ILE C C 177.123 . . 667 142 142 ILE CA C 59.978 . . 668 142 142 ILE CB C 38.379 . . 669 142 142 ILE N N 121.321 . . 670 143 143 LEU H H 8.831 . . 671 143 143 LEU C C 176.667 . . 672 143 143 LEU CA C 56.484 . . 673 143 143 LEU CB C 40.126 . . 674 143 143 LEU N N 126.626 . . 675 144 144 GLY H H 6.693 . . 676 144 144 GLY C C 174.528 . . 677 144 144 GLY CA C 48.979 . . 678 144 144 GLY N N 104.355 . . 679 145 145 SER H H 10.516 . . 680 145 145 SER C C 179.233 . . 681 145 145 SER CA C 62.335 . . 682 145 145 SER CB C 62.465 . . 683 145 145 SER N N 121.994 . . 684 146 146 TYR H H 9.12 . . 685 146 146 TYR C C 178.63 . . 686 146 146 TYR CA C 61.804 . . 687 146 146 TYR CB C 36.712 . . 688 146 146 TYR N N 124.996 . . 689 147 147 ASN H H 8.786 . . 690 147 147 ASN C C 180.656 . . 691 147 147 ASN CA C 55.849 . . 692 147 147 ASN CB C 37.029 . . 693 147 147 ASN N N 117.914 . . 694 148 148 ARG H H 9.218 . . 695 148 148 ARG C C 178.309 . . 696 148 148 ARG CA C 60.057 . . 697 148 148 ARG CB C 30.836 . . 698 148 148 ARG N N 121.233 . . 699 149 149 GLY H H 7.803 . . 700 149 149 GLY C C 173.373 . . 701 149 149 GLY CA C 44.397 . . 702 149 149 GLY N N 104.286 . . 703 150 150 ASN H H 7.915 . . 704 150 150 ASN C C 174.26 . . 705 150 150 ASN CA C 54.285 . . 706 150 150 ASN CB C 37.36 . . 707 150 150 ASN N N 116.256 . . 708 151 151 LEU H H 8.561 . . 709 151 151 LEU C C 177.559 . . 710 151 151 LEU CA C 53.22 . . 711 151 151 LEU CB C 43.064 . . 712 151 151 LEU N N 117.854 . . 713 152 152 SER H H 8.484 . . 714 152 152 SER C C 178.161 . . 715 152 152 SER CA C 58.469 . . 716 152 152 SER CB C 62.757 . . 717 152 152 SER N N 115.217 . . 718 153 153 THR H H 8.941 . . 719 153 153 THR C C 175.214 . . 720 153 153 THR CA C 61.804 . . 721 153 153 THR CB C 69.745 . . 722 153 153 THR N N 115.069 . . 723 154 154 GLU H H 8.068 . . 724 154 154 GLU C C 178.597 . . 725 154 154 GLU CA C 61.09 . . 726 154 154 GLU CB C 29.168 . . 727 154 154 GLU N N 122.714 . . 728 155 155 LYS H H 8.468 . . 729 155 155 LYS C C 179.166 . . 730 155 155 LYS CA C 58.866 . . 731 155 155 LYS CB C 31.233 . . 732 155 155 LYS N N 119.336 . . 733 156 156 PHE H H 8.36 . . 734 156 156 PHE C C 176.011 . . 735 156 156 PHE CA C 57.913 . . 736 156 156 PHE CB C 38.618 . . 737 156 156 PHE N N 121.588 . . 738 157 157 VAL H H 8.446 . . 739 157 157 VAL C C 177.343 . . 740 157 157 VAL CA C 67.522 . . 741 157 157 VAL CB C 30.995 . . 742 157 157 VAL N N 117.44 . . 743 158 158 GLU H H 7.448 . . 744 158 158 GLU C C 179.161 . . 745 158 158 GLU CA C 59.07 . . 746 158 158 GLU CB C 28.795 . . 747 158 158 GLU N N 116.407 . . 748 159 159 GLU H H 8.214 . . 749 159 159 GLU C C 179.583 . . 750 159 159 GLU CA C 59.502 . . 751 159 159 GLU CB C 29.645 . . 752 159 159 GLU N N 120.67 . . 753 160 160 ILE H H 8.317 . . 754 160 160 ILE C C 180.529 . . 755 160 160 ILE CA C 61.725 . . 756 160 160 ILE CB C 33.139 . . 757 160 160 ILE N N 118.654 . . 758 161 161 LYS H H 8.442 . . 759 161 161 LYS C C 178.424 . . 760 161 161 LYS CA C 60.375 . . 761 161 161 LYS CB C 31.63 . . 762 161 161 LYS N N 125.174 . . 763 162 162 SER H H 7.339 . . 764 162 162 SER C C 174.947 . . 765 162 162 SER CA C 60.677 . . 766 162 162 SER CB C 62.469 . . 767 162 162 SER N N 112.32 . . 768 163 163 ILE H H 7.143 . . 769 163 163 ILE C C 175.382 . . 770 163 163 ILE CA C 62.32 . . 771 163 163 ILE CB C 39.086 . . 772 163 163 ILE N N 119.923 . . 773 164 164 ALA H H 6.84 . . 774 164 164 ALA C C 178.496 . . 775 164 164 ALA CA C 52.037 . . 776 164 164 ALA CB C 18.835 . . 777 164 164 ALA N N 121.535 . . 778 165 165 SER H H 8.647 . . 779 165 165 SER CA C 61.487 . . 780 165 165 SER CB C 61.72 . . 781 165 165 SER N N 120.551 . . 782 168 168 THR CA C 66.917 . . 783 168 168 THR CB C 68.396 . . 784 169 169 GLU H H 9.31 . . 785 169 169 GLU C C 177.492 . . 786 169 169 GLU CA C 58.787 . . 787 169 169 GLU CB C 28.374 . . 788 169 169 GLU N N 118.269 . . 789 170 170 LYS H H 7.162 . . 790 170 170 LYS C C 176.219 . . 791 170 170 LYS CA C 55.817 . . 792 170 170 LYS CB C 33.443 . . 793 170 170 LYS N N 114.569 . . 794 171 171 HIS H H 7.047 . . 795 171 171 HIS C C 172.552 . . 796 171 171 HIS CA C 57.941 . . 797 171 171 HIS CB C 31.385 . . 798 171 171 HIS N N 114.019 . . 799 172 172 PHE H H 7.867 . . 800 172 172 PHE C C 174.093 . . 801 172 172 PHE CA C 55.352 . . 802 172 172 PHE CB C 41.343 . . 803 172 172 PHE N N 118.885 . . 804 173 173 PHE H H 8.466 . . 805 173 173 PHE C C 171.815 . . 806 173 173 PHE CA C 55.69 . . 807 173 173 PHE CB C 42.27 . . 808 173 173 PHE N N 126.063 . . 809 174 174 ASN H H 8.172 . . 810 174 174 ASN C C 174.519 . . 811 174 174 ASN CA C 51.302 . . 812 174 174 ASN CB C 40.148 . . 813 174 174 ASN N N 118.24 . . 814 175 175 VAL H H 8.655 . . 815 175 175 VAL C C 175.851 . . 816 175 175 VAL CA C 59.581 . . 817 175 175 VAL CB C 33.774 . . 818 175 175 VAL N N 119.899 . . 819 176 176 SER H H 8.838 . . 820 176 176 SER C C 173.357 . . 821 176 176 SER CA C 61.646 . . 822 176 176 SER CB C 62.837 . . 823 176 176 SER N N 119.603 . . 824 177 177 ASP H H 7.116 . . 825 177 177 ASP C C 174.284 . . 826 177 177 ASP CA C 53.151 . . 827 177 177 ASP CB C 43.567 . . 828 177 177 ASP N N 111.07 . . 829 178 178 GLU H H 11.953 . . 830 178 178 GLU C C 178.764 . . 831 178 178 GLU CA C 62.247 . . 832 178 178 GLU CB C 29.02 . . 833 178 178 GLU N N 123.069 . . 834 179 179 LEU H H 8.061 . . 835 179 179 LEU C C 178.145 . . 836 179 179 LEU CA C 56.709 . . 837 179 179 LEU CB C 39.876 . . 838 179 179 LEU N N 116.165 . . 839 180 180 ALA H H 7.697 . . 840 180 180 ALA C C 179.769 . . 841 180 180 ALA CA C 51.435 . . 842 180 180 ALA CB C 18.837 . . 843 180 180 ALA N N 117.603 . . 844 181 181 LEU H H 7.708 . . 845 181 181 LEU C C 177.676 . . 846 181 181 LEU CA C 58.805 . . 847 181 181 LEU CB C 41.012 . . 848 181 181 LEU N N 124.164 . . 849 182 182 VAL H H 7.596 . . 850 182 182 VAL C C 177.776 . . 851 182 182 VAL CA C 64.182 . . 852 182 182 VAL CB C 31.318 . . 853 182 182 VAL N N 108.854 . . 854 183 183 THR H H 7.725 . . 855 183 183 THR C C 176.855 . . 856 183 183 THR CA C 63.917 . . 857 183 183 THR CB C 69.494 . . 858 183 183 THR N N 110.162 . . 859 184 184 ILE H H 7.221 . . 860 184 184 ILE C C 176.169 . . 861 184 184 ILE CA C 60.929 . . 862 184 184 ILE CB C 38.157 . . 863 184 184 ILE N N 111.954 . . 864 185 185 VAL H H 7.065 . . 865 185 185 VAL C C 177.14 . . 866 185 185 VAL CA C 67.236 . . 867 185 185 VAL CB C 31.186 . . 868 185 185 VAL N N 120.262 . . 869 186 186 LYS H H 8.408 . . 870 186 186 LYS C C 178.463 . . 871 186 186 LYS CA C 59.581 . . 872 186 186 LYS CB C 31.284 . . 873 186 186 LYS N N 119.692 . . 874 187 187 THR H H 7.66 . . 875 187 187 THR C C 176.107 . . 876 187 187 THR CA C 65.377 . . 877 187 187 THR CB C 68.431 . . 878 187 187 THR N N 114.501 . . 879 188 188 LEU H H 8.184 . . 880 188 188 LEU C C 178.355 . . 881 188 188 LEU CA C 58.31 . . 882 188 188 LEU CB C 40.603 . . 883 188 188 LEU N N 120.373 . . 884 189 189 GLY H H 8.331 . . 885 189 189 GLY C C 175.985 . . 886 189 189 GLY CA C 46.52 . . 887 189 189 GLY N N 102.482 . . 888 190 190 GLU H H 7.511 . . 889 190 190 GLU C C 177.693 . . 890 190 190 GLU CA C 57.078 . . 891 190 190 GLU CB C 29.393 . . 892 190 190 GLU N N 116.843 . . 893 191 191 ARG H H 7.628 . . 894 191 191 ARG C C 175.451 . . 895 191 191 ARG CA C 56.571 . . 896 191 191 ARG CB C 32.152 . . 897 191 191 ARG N N 117.829 . . 898 192 192 ILE H H 6.9 . . 899 192 192 ILE C C 180.104 . . 900 192 192 ILE CA C 64.981 . . 901 192 192 ILE CB C 38.618 . . 902 192 192 ILE N N 123.961 . . stop_ save_