data_18267 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Substrate-dependent millisecond domain motions in DNA polymerase beta ; _BMRB_accession_number 18267 _BMRB_flat_file_name bmr18267.str _Entry_type original _Submission_date 2012-02-15 _Accession_date 2012-02-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'DNA Polymerase beta' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loria Patrick . . 2 Swain Monalisa . . 3 Berlowy Rebecca B. . 4 Sweasy Joann B. . 5 Dalal Shibani . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 260 "13C chemical shifts" 802 "15N chemical shifts" 260 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-22 update author 'update entry citation' 2012-05-10 update BMRB 'update entry citation' 2012-03-27 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4326 'N-Terminal Domain of DNA Polymerase B' 5208 'Palm-Thumb Domain of DNA Polymerase B' 7319 'Polymerase Beta and Double gap double hairpin DNA' stop_ _Original_release_date 2015-09-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Substrate-Dependent Millisecond Domain Motions in DNA Polymerase . ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22446382 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berlow Rebecca B. . 2 Swain Monalisa . . 3 Dalal Shibani . . 4 Sweasy Joann B. . 5 Loria 'J. Patrick' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 419 _Journal_issue 3-4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 182 _Year 2012 _Details . loop_ _Keyword 'Conformational change' 'DNA Polymerase beta' 'Enzyme motions' 'Protein dynamics' 'Relaxation dispersion' 'Solution NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA Polymerase beta uncomplexed' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA polymerase beta' $DNA_Polymerase_beta stop_ _System_molecular_weight 39000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DNA_Polymerase_beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DNA_Polymerase_beta_polypeptide _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 335 _Mol_residue_sequence ; MSKRKAPQETLNGGITDMLV ELANFEKNVSQAIHKYNAYR KAASVIAKYPHKIKSGAEAK KLPGVGTKIAEKIDEFLATG KLRKLEKIRQDDTSSSINFL TRVTGIGPSAARKLVDEGIK TLEDLRKNEDKLNHHQRIGL KYFEDFEKRIPREEMLQMQD IVLNEVKKLDPEYIATVCGS FRRGAESSGDMDVLLTHPNF TSESSKQPKLLHRVVEQLQK VRFITDTLSKGETKFMGVCQ LPSENDENEYPHRRIDIRLI PKDQYYCGVLYFTGSDIFNK NMRAHALEKGFTINEYTIRP LGVTGVAGEPLPVDSEQDIF DYIQWRYREPKDRSE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 ARG 5 LYS 6 ALA 7 PRO 8 GLN 9 GLU 10 THR 11 LEU 12 ASN 13 GLY 14 GLY 15 ILE 16 THR 17 ASP 18 MET 19 LEU 20 VAL 21 GLU 22 LEU 23 ALA 24 ASN 25 PHE 26 GLU 27 LYS 28 ASN 29 VAL 30 SER 31 GLN 32 ALA 33 ILE 34 HIS 35 LYS 36 TYR 37 ASN 38 ALA 39 TYR 40 ARG 41 LYS 42 ALA 43 ALA 44 SER 45 VAL 46 ILE 47 ALA 48 LYS 49 TYR 50 PRO 51 HIS 52 LYS 53 ILE 54 LYS 55 SER 56 GLY 57 ALA 58 GLU 59 ALA 60 LYS 61 LYS 62 LEU 63 PRO 64 GLY 65 VAL 66 GLY 67 THR 68 LYS 69 ILE 70 ALA 71 GLU 72 LYS 73 ILE 74 ASP 75 GLU 76 PHE 77 LEU 78 ALA 79 THR 80 GLY 81 LYS 82 LEU 83 ARG 84 LYS 85 LEU 86 GLU 87 LYS 88 ILE 89 ARG 90 GLN 91 ASP 92 ASP 93 THR 94 SER 95 SER 96 SER 97 ILE 98 ASN 99 PHE 100 LEU 101 THR 102 ARG 103 VAL 104 THR 105 GLY 106 ILE 107 GLY 108 PRO 109 SER 110 ALA 111 ALA 112 ARG 113 LYS 114 LEU 115 VAL 116 ASP 117 GLU 118 GLY 119 ILE 120 LYS 121 THR 122 LEU 123 GLU 124 ASP 125 LEU 126 ARG 127 LYS 128 ASN 129 GLU 130 ASP 131 LYS 132 LEU 133 ASN 134 HIS 135 HIS 136 GLN 137 ARG 138 ILE 139 GLY 140 LEU 141 LYS 142 TYR 143 PHE 144 GLU 145 ASP 146 PHE 147 GLU 148 LYS 149 ARG 150 ILE 151 PRO 152 ARG 153 GLU 154 GLU 155 MET 156 LEU 157 GLN 158 MET 159 GLN 160 ASP 161 ILE 162 VAL 163 LEU 164 ASN 165 GLU 166 VAL 167 LYS 168 LYS 169 LEU 170 ASP 171 PRO 172 GLU 173 TYR 174 ILE 175 ALA 176 THR 177 VAL 178 CYS 179 GLY 180 SER 181 PHE 182 ARG 183 ARG 184 GLY 185 ALA 186 GLU 187 SER 188 SER 189 GLY 190 ASP 191 MET 192 ASP 193 VAL 194 LEU 195 LEU 196 THR 197 HIS 198 PRO 199 ASN 200 PHE 201 THR 202 SER 203 GLU 204 SER 205 SER 206 LYS 207 GLN 208 PRO 209 LYS 210 LEU 211 LEU 212 HIS 213 ARG 214 VAL 215 VAL 216 GLU 217 GLN 218 LEU 219 GLN 220 LYS 221 VAL 222 ARG 223 PHE 224 ILE 225 THR 226 ASP 227 THR 228 LEU 229 SER 230 LYS 231 GLY 232 GLU 233 THR 234 LYS 235 PHE 236 MET 237 GLY 238 VAL 239 CYS 240 GLN 241 LEU 242 PRO 243 SER 244 GLU 245 ASN 246 ASP 247 GLU 248 ASN 249 GLU 250 TYR 251 PRO 252 HIS 253 ARG 254 ARG 255 ILE 256 ASP 257 ILE 258 ARG 259 LEU 260 ILE 261 PRO 262 LYS 263 ASP 264 GLN 265 TYR 266 TYR 267 CYS 268 GLY 269 VAL 270 LEU 271 TYR 272 PHE 273 THR 274 GLY 275 SER 276 ASP 277 ILE 278 PHE 279 ASN 280 LYS 281 ASN 282 MET 283 ARG 284 ALA 285 HIS 286 ALA 287 LEU 288 GLU 289 LYS 290 GLY 291 PHE 292 THR 293 ILE 294 ASN 295 GLU 296 TYR 297 THR 298 ILE 299 ARG 300 PRO 301 LEU 302 GLY 303 VAL 304 THR 305 GLY 306 VAL 307 ALA 308 GLY 309 GLU 310 PRO 311 LEU 312 PRO 313 VAL 314 ASP 315 SER 316 GLU 317 GLN 318 ASP 319 ILE 320 PHE 321 ASP 322 TYR 323 ILE 324 GLN 325 TRP 326 ARG 327 TYR 328 ARG 329 GLU 330 PRO 331 LYS 332 ASP 333 ARG 334 SER 335 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 1BPB "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" 74.03 248 100.00 100.00 0.00e+00 PDB 1BPD "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" 100.00 335 100.00 100.00 0.00e+00 PDB 1BPE "Crystal Structure Of Rat Dna Polymerase Beta; Evidence For A Common Polymerase Mechanism" 100.00 335 99.70 100.00 0.00e+00 PDB 1HUO "Crystal Structure Of Dna Polymerase Beta Complexed With Dna And Cr-Tmppcp" 100.00 335 100.00 100.00 0.00e+00 PDB 1HUZ "Crystal Structure Of Dna Polymerase Complexed With Dna And Cr-Pcp" 100.00 335 100.00 100.00 0.00e+00 PDB 1JN3 "Fidelity Properties And Structure Of M282l Mutator Mutant Of Dna Polymerase: Subtle Structural Changes Influence The Mechanism " 74.93 251 99.60 100.00 0.00e+00 PDB 1NOM "Dna Polymerase Beta (pol B) (e.c.2.7.7.7), 31-kd Domain; Soaked In The Presence Of Mncl2 (5 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 1RPL "2.3 Angstroms Crystal Structure Of The Catalytic Domain Of Dna Polymerase Beta" 74.93 251 100.00 100.00 0.00e+00 PDB 1ZQU "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Artificial Mother Liquor" 74.03 248 100.00 100.00 0.00e+00 PDB 1ZQV "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cacl2 (150 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 1ZQW "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cscl (150 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 1ZQX "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Kcl (150 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 1ZQY "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mgcl2 (50 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 1ZQZ "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mncl2 (50 Millimolar)" 74.03 248 100.00 100.00 0.00e+00 PDB 2BPC "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" 74.03 248 100.00 100.00 0.00e+00 PDB 2BPF "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" 100.00 335 100.00 100.00 0.00e+00 PDB 2BPG "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" 100.00 335 100.00 100.00 0.00e+00 PDB 2VAN "Nucleotidyl Transfer Mechanism Of Mismatched Dntp Incorporation By Dna Polymerase B By Structural And Kinetic Analyses" 73.13 245 99.59 99.59 6.89e-180 PDB 3K75 "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" 73.13 252 100.00 100.00 0.00e+00 PDB 3LQC "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" 57.91 200 100.00 100.00 3.01e-141 PDB 3UXN "Crystal Structure Of Rat Dna Polymerase Beta, Wild Type Apoenzyme" 100.00 335 100.00 100.00 0.00e+00 PDB 3UXO "Crystal Structure Of Rat Dna Polymerase Beta Mutator I260q Apoenzyme" 100.00 335 99.70 99.70 0.00e+00 PDB 3UXP "Co-crystal Structure Of Rat Dna Polymerase Beta Mutator I260q: Enzyme- Dna-ddttp" 100.00 335 99.70 99.70 0.00e+00 PDB 3V72 "Crystal Structure Of Rat Dna Polymerase Beta Mutator E295k: Enzyme- Dsdna" 100.00 335 99.70 100.00 0.00e+00 PDB 3V7J "Co-crystal Structure Of Wild Type Rat Polymerase Beta: Enzyme-dna Binary Complex" 99.10 340 100.00 100.00 0.00e+00 PDB 3V7K "Co-crystal Structure Of K72e Variant Of Rat Polymerase Beta: Enzyme- Dna Binary Complex" 99.10 340 99.70 100.00 0.00e+00 PDB 3V7L "Apo Structure Of Rat Dna Polymerase Beta K72e Variant" 99.10 340 99.70 100.00 0.00e+00 DBJ BAC36630 "unnamed protein product [Mus musculus]" 100.00 335 97.61 98.21 0.00e+00 DBJ BAE27405 "unnamed protein product [Mus musculus]" 100.00 335 97.61 98.21 0.00e+00 DBJ BAE30399 "unnamed protein product [Mus musculus]" 100.00 335 97.61 98.21 0.00e+00 GB AAA41900 "polymerase beta [Rattus norvegicus]" 94.93 318 99.69 99.69 0.00e+00 GB AAA41901 "DNA polymerase beta [Rattus norvegicus]" 100.00 335 99.70 99.70 0.00e+00 GB AAB00389 "high molecular weight DNA polymerase beta [Rattus norvegicus]" 100.00 335 99.70 99.70 0.00e+00 GB AAH60998 "Polymerase (DNA directed), beta [Mus musculus]" 100.00 335 97.61 98.21 0.00e+00 GB AAH98668 "Polymerase (DNA directed), beta [Rattus norvegicus]" 100.00 335 100.00 100.00 0.00e+00 REF NP_035260 "DNA polymerase beta [Mus musculus]" 100.00 335 97.61 98.21 0.00e+00 REF NP_058837 "DNA polymerase beta [Rattus norvegicus]" 100.00 335 100.00 100.00 0.00e+00 REF XP_005066593 "PREDICTED: DNA polymerase beta [Mesocricetus auratus]" 100.00 335 97.01 98.51 0.00e+00 REF XP_005362476 "PREDICTED: DNA polymerase beta [Microtus ochrogaster]" 100.00 335 97.31 98.51 0.00e+00 SP P06766 "RecName: Full=DNA polymerase beta" 100.00 335 100.00 100.00 0.00e+00 SP Q8K409 "RecName: Full=DNA polymerase beta" 100.00 335 97.61 98.21 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $DNA_Polymerase_beta 'E. coli' 562 Bacteria . Escherichia coli BL21 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 $DNA_Polymerase_beta 'purified from the natural source' . Escherichia coli . . 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 $DNA_Polymerase_beta 0.6 mM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium azide' 0.002 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.001 . M pH 7.4 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HN(COCA)CB' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA polymerase beta' _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 2 2 SER C C 173.515 0.3 1 2 2 2 SER CA C 58.046 0.3 1 3 2 2 SER CB C 63.096 0.3 1 4 3 3 LYS H H 7.905 0.020 1 5 3 3 LYS CA C 57.536 0.3 1 6 3 3 LYS CB C 30.356 0.3 1 7 3 3 LYS N N 128.857 0.3 1 8 4 4 ARG C C 176.131 0.3 1 9 4 4 ARG CA C 55.417 0.3 1 10 5 5 LYS H H 8.335 0.020 1 11 5 5 LYS C C 175.859 0.3 1 12 5 5 LYS CA C 55.559 0.3 1 13 5 5 LYS CB C 32.334 0.3 1 14 5 5 LYS N N 125.468 0.3 1 15 6 6 ALA H H 8.320 0.020 1 16 6 6 ALA CA C 50.037 0.3 1 17 6 6 ALA CB C 17.407 0.3 1 18 6 6 ALA N N 128.704 0.3 1 19 7 7 PRO C C 176.864 0.3 1 20 7 7 PRO CA C 62.737 0.3 1 21 7 7 PRO CB C 31.126 0.3 1 22 8 8 GLN H H 8.377 0.020 1 23 8 8 GLN C C 175.940 0.3 1 24 8 8 GLN CA C 55.434 0.3 1 25 8 8 GLN CB C 28.711 0.3 1 26 8 8 GLN N N 121.557 0.3 1 27 9 9 GLU H H 8.399 0.020 1 28 9 9 GLU C C 172.386 0.3 1 29 9 9 GLU CA C 56.103 0.3 1 30 9 9 GLU CB C 29.680 0.3 1 31 9 9 GLU N N 124.093 0.3 1 32 10 10 THR H H 8.107 0.020 1 33 10 10 THR CA C 61.298 0.3 1 34 10 10 THR CB C 69.238 0.3 1 35 10 10 THR N N 116.777 0.3 1 36 11 11 LEU CA C 54.707 0.3 1 37 13 13 GLY C C 174.859 0.3 1 38 13 13 GLY CA C 47.076 0.3 1 39 14 14 GLY H H 8.424 0.020 1 40 14 14 GLY C C 176.442 0.3 1 41 14 14 GLY CA C 46.854 0.3 1 42 14 14 GLY N N 109.459 0.3 1 43 15 15 ILE H H 7.607 0.020 1 44 15 15 ILE C C 177.355 0.3 1 45 15 15 ILE CA C 64.248 0.3 1 46 15 15 ILE CB C 38.107 0.3 1 47 15 15 ILE N N 121.740 0.3 1 48 16 16 THR H H 8.212 0.020 1 49 16 16 THR C C 176.077 0.3 1 50 16 16 THR CA C 67.230 0.3 1 51 16 16 THR CB C 67.417 0.3 1 52 16 16 THR N N 116.051 0.3 1 53 17 17 ASP H H 8.482 0.020 1 54 17 17 ASP C C 178.779 0.3 1 55 17 17 ASP CA C 56.900 0.3 1 56 17 17 ASP CB C 39.278 0.3 1 57 17 17 ASP N N 122.456 0.3 1 58 18 18 MET H H 7.167 0.020 1 59 18 18 MET C C 177.923 0.3 1 60 18 18 MET CA C 58.031 0.3 1 61 18 18 MET CB C 28.549 0.3 1 62 18 18 MET N N 122.537 0.3 1 63 19 19 LEU H H 7.927 0.020 1 64 19 19 LEU C C 179.037 0.3 1 65 19 19 LEU CA C 57.211 0.3 1 66 19 19 LEU CB C 41.265 0.3 1 67 19 19 LEU N N 122.528 0.3 1 68 20 20 VAL H H 8.207 0.020 1 69 20 20 VAL C C 177.928 0.3 1 70 20 20 VAL CA C 66.448 0.3 1 71 20 20 VAL CB C 30.710 0.3 1 72 20 20 VAL N N 122.073 0.3 1 73 21 21 GLU H H 7.827 0.020 1 74 21 21 GLU C C 180.291 0.3 1 75 21 21 GLU CA C 59.180 0.3 1 76 21 21 GLU CB C 28.287 0.3 1 77 21 21 GLU N N 122.572 0.3 1 78 22 22 LEU H H 8.048 0.020 1 79 22 22 LEU C C 179.174 0.3 1 80 22 22 LEU CA C 57.333 0.3 1 81 22 22 LEU CB C 39.559 0.3 1 82 22 22 LEU N N 122.863 0.3 1 83 23 23 ALA H H 8.437 0.020 1 84 23 23 ALA C C 179.647 0.3 1 85 23 23 ALA CA C 55.383 0.3 1 86 23 23 ALA CB C 17.044 0.3 1 87 23 23 ALA N N 123.104 0.3 1 88 24 24 ASN H H 8.413 0.020 1 89 24 24 ASN CA C 55.664 0.3 1 90 24 24 ASN CB C 37.278 0.3 1 91 24 24 ASN N N 118.593 0.3 1 92 25 25 PHE H H 8.062 0.020 1 93 25 25 PHE CA C 61.104 0.3 1 94 25 25 PHE CB C 38.208 0.3 1 95 25 25 PHE N N 123.977 0.3 1 96 26 26 GLU H H 8.341 0.020 1 97 26 26 GLU C C 178.959 0.3 1 98 26 26 GLU CA C 57.183 0.3 1 99 26 26 GLU CB C 27.650 0.3 1 100 26 26 GLU N N 120.537 0.3 1 101 27 27 LYS H H 8.214 0.020 1 102 27 27 LYS C C 177.295 0.3 1 103 27 27 LYS CA C 59.051 0.3 1 104 27 27 LYS CB C 32.266 0.3 1 105 27 27 LYS N N 119.841 0.3 1 106 28 28 ASN H H 8.250 0.020 1 107 28 28 ASN CA C 54.638 0.3 1 108 28 28 ASN CB C 38.551 0.3 1 109 28 28 ASN N N 114.949 0.3 1 110 29 29 VAL H H 8.252 0.020 1 111 29 29 VAL CA C 63.844 0.3 1 112 29 29 VAL CB C 30.383 0.3 1 113 29 29 VAL N N 121.202 0.3 1 114 30 30 SER C C 174.585 0.3 1 115 30 30 SER CA C 58.568 0.3 1 116 30 30 SER CB C 62.438 0.3 1 117 31 31 GLN H H 7.317 0.020 1 118 31 31 GLN C C 174.857 0.3 1 119 31 31 GLN CA C 56.432 0.3 1 120 31 31 GLN CB C 25.389 0.3 1 121 31 31 GLN N N 116.392 0.3 1 122 32 32 ALA H H 8.113 0.020 1 123 32 32 ALA CA C 49.980 0.3 1 124 32 32 ALA CB C 17.524 0.3 1 125 32 32 ALA N N 125.533 0.3 1 126 33 33 ILE H H 8.268 0.020 1 127 33 33 ILE C C 176.811 0.3 1 128 33 33 ILE CA C 61.940 0.3 1 129 33 33 ILE CB C 36.699 0.3 1 130 33 33 ILE N N 125.788 0.3 1 131 34 34 HIS H H 8.543 0.020 1 132 34 34 HIS C C 178.879 0.3 1 133 34 34 HIS CA C 58.571 0.3 1 134 34 34 HIS CB C 28.660 0.3 1 135 34 34 HIS N N 120.625 0.3 1 136 35 35 LYS H H 6.813 0.020 1 137 35 35 LYS C C 177.622 0.3 1 138 35 35 LYS CA C 58.358 0.3 1 139 35 35 LYS CB C 31.190 0.3 1 140 35 35 LYS N N 122.721 0.3 1 141 36 36 TYR H H 7.743 0.020 1 142 36 36 TYR C C 176.377 0.3 1 143 36 36 TYR CA C 60.953 0.3 1 144 36 36 TYR CB C 36.696 0.3 1 145 36 36 TYR N N 121.837 0.3 1 146 37 37 ASN H H 8.504 0.020 1 147 37 37 ASN C C 177.607 0.3 1 148 37 37 ASN CA C 55.213 0.3 1 149 37 37 ASN CB C 37.105 0.3 1 150 37 37 ASN N N 118.405 0.3 1 151 38 38 ALA H H 7.742 0.020 1 152 38 38 ALA CA C 54.713 0.3 1 153 38 38 ALA CB C 17.307 0.3 1 154 38 38 ALA N N 124.692 0.3 1 155 39 39 TYR H H 8.339 0.020 1 156 39 39 TYR C C 178.121 0.3 1 157 39 39 TYR CA C 60.728 0.3 1 158 39 39 TYR CB C 37.471 0.3 1 159 39 39 TYR N N 120.258 0.3 1 160 40 40 ARG H H 8.132 0.020 1 161 40 40 ARG C C 179.127 0.3 1 162 40 40 ARG CA C 58.669 0.3 1 163 40 40 ARG CB C 28.281 0.3 1 164 40 40 ARG N N 119.923 0.3 1 165 41 41 LYS H H 8.136 0.020 1 166 41 41 LYS C C 178.810 0.3 1 167 41 41 LYS CA C 58.636 0.3 1 168 41 41 LYS CB C 30.924 0.3 1 169 41 41 LYS N N 122.764 0.3 1 170 42 42 ALA H H 7.664 0.020 1 171 42 42 ALA C C 178.513 0.3 1 172 42 42 ALA CA C 54.204 0.3 1 173 42 42 ALA CB C 18.350 0.3 1 174 42 42 ALA N N 121.971 0.3 1 175 43 43 ALA H H 8.207 0.020 1 176 43 43 ALA C C 181.206 0.3 1 177 43 43 ALA CA C 55.027 0.3 1 178 43 43 ALA CB C 17.041 0.3 1 179 43 43 ALA N N 120.254 0.3 1 180 44 44 SER H H 7.711 0.020 1 181 44 44 SER C C 176.670 0.3 1 182 44 44 SER CA C 60.964 0.3 1 183 44 44 SER CB C 62.694 0.3 1 184 44 44 SER N N 114.195 0.3 1 185 45 45 VAL H H 7.704 0.020 1 186 45 45 VAL C C 179.159 0.3 1 187 45 45 VAL CA C 65.178 0.3 1 188 45 45 VAL CB C 31.166 0.3 1 189 45 45 VAL N N 122.374 0.3 1 190 46 46 ILE H H 8.102 0.020 1 191 46 46 ILE C C 177.978 0.3 1 192 46 46 ILE CA C 64.351 0.3 1 193 46 46 ILE CB C 36.305 0.3 1 194 46 46 ILE N N 122.966 0.3 1 195 47 47 ALA H H 8.261 0.020 1 196 47 47 ALA C C 179.021 0.3 1 197 47 47 ALA CA C 54.282 0.3 1 198 47 47 ALA CB C 17.828 0.3 1 199 47 47 ALA N N 123.191 0.3 1 200 48 48 LYS H H 6.933 0.020 1 201 48 48 LYS C C 175.994 0.3 1 202 48 48 LYS CA C 55.120 0.3 1 203 48 48 LYS CB C 32.368 0.3 1 204 48 48 LYS N N 114.935 0.3 1 205 49 49 TYR H H 7.547 0.020 1 206 49 49 TYR CA C 55.055 0.3 1 207 49 49 TYR CB C 38.908 0.3 1 208 49 49 TYR N N 127.265 0.3 1 209 50 50 PRO C C 174.272 0.3 1 210 50 50 PRO CA C 63.571 0.3 1 211 50 50 PRO CB C 30.380 0.3 1 212 51 51 HIS H H 6.032 0.020 1 213 51 51 HIS C C 173.972 0.3 1 214 51 51 HIS CA C 53.188 0.3 1 215 51 51 HIS CB C 32.548 0.3 1 216 51 51 HIS N N 117.230 0.3 1 217 52 52 LYS H H 8.884 0.020 1 218 52 52 LYS C C 176.274 0.3 1 219 52 52 LYS CA C 56.365 0.3 1 220 52 52 LYS CB C 31.946 0.3 1 221 52 52 LYS N N 124.163 0.3 1 222 53 53 ILE H H 9.291 0.020 1 223 53 53 ILE C C 176.241 0.3 1 224 53 53 ILE CA C 60.954 0.3 1 225 53 53 ILE CB C 37.032 0.3 1 226 53 53 ILE N N 132.138 0.3 1 227 54 54 LYS H H 9.069 0.020 1 228 54 54 LYS C C 175.772 0.3 1 229 54 54 LYS CA C 55.786 0.3 1 230 54 54 LYS CB C 32.302 0.3 1 231 54 54 LYS N N 127.054 0.3 1 232 55 55 SER H H 7.401 0.020 1 233 55 55 SER C C 173.835 0.3 1 234 55 55 SER CA C 56.880 0.3 1 235 55 55 SER CB C 65.157 0.3 1 236 55 55 SER N N 112.409 0.3 1 237 56 56 GLY H H 9.895 0.020 1 238 56 56 GLY C C 175.391 0.3 1 239 56 56 GLY CA C 47.076 0.3 1 240 56 56 GLY N N 113.154 0.3 1 241 57 57 ALA H H 8.397 0.020 1 242 57 57 ALA C C 180.266 0.3 1 243 57 57 ALA CA C 54.683 0.3 1 244 57 57 ALA CB C 17.198 0.3 1 245 57 57 ALA N N 124.537 0.3 1 246 58 58 GLU H H 7.501 0.020 1 247 58 58 GLU C C 178.542 0.3 1 248 58 58 GLU CA C 57.984 0.3 1 249 58 58 GLU CB C 29.409 0.3 1 250 58 58 GLU N N 117.953 0.3 1 251 59 59 ALA H H 7.276 0.020 1 252 59 59 ALA C C 177.310 0.3 1 253 59 59 ALA CA C 53.268 0.3 1 254 59 59 ALA CB C 18.099 0.3 1 255 59 59 ALA N N 121.334 0.3 1 256 60 60 LYS H H 7.797 0.020 1 257 60 60 LYS C C 176.325 0.3 1 258 60 60 LYS CA C 57.389 0.3 1 259 60 60 LYS CB C 31.210 0.3 1 260 60 60 LYS N N 115.670 0.3 1 261 61 61 LYS H H 6.943 0.020 1 262 61 61 LYS C C 176.591 0.3 1 263 61 61 LYS CA C 56.177 0.3 1 264 61 61 LYS CB C 31.374 0.3 1 265 61 61 LYS N N 116.578 0.3 1 266 62 62 LEU H H 7.644 0.020 1 267 62 62 LEU CA C 52.147 0.3 1 268 62 62 LEU CB C 39.022 0.3 1 269 62 62 LEU N N 124.086 0.3 1 270 63 63 PRO C C 177.087 0.3 1 271 63 63 PRO CA C 62.968 0.3 1 272 63 63 PRO CB C 30.642 0.3 1 273 64 64 GLY H H 8.418 0.020 1 274 64 64 GLY C C 173.938 0.3 1 275 64 64 GLY CA C 44.352 0.3 1 276 64 64 GLY N N 110.889 0.3 1 277 65 65 VAL H H 7.461 0.020 1 278 65 65 VAL C C 174.857 0.3 1 279 65 65 VAL CA C 62.559 0.3 1 280 65 65 VAL CB C 29.604 0.3 1 281 65 65 VAL N N 122.487 0.3 1 282 66 66 GLY H H 7.347 0.020 1 283 66 66 GLY CA C 44.074 0.3 1 284 66 66 GLY N N 110.645 0.3 1 285 68 68 LYS C C 179.702 0.3 1 286 68 68 LYS CA C 58.244 0.3 1 287 68 68 LYS CB C 30.099 0.3 1 288 69 69 ILE H H 7.712 0.020 1 289 69 69 ILE CA C 64.472 0.3 1 290 69 69 ILE CB C 35.555 0.3 1 291 69 69 ILE N N 121.269 0.3 1 292 70 70 ALA H H 8.064 0.020 1 293 70 70 ALA C C 178.738 0.3 1 294 70 70 ALA CA C 55.357 0.3 1 295 70 70 ALA CB C 17.494 0.3 1 296 70 70 ALA N N 123.903 0.3 1 297 71 71 GLU H H 7.801 0.020 1 298 71 71 GLU C C 179.850 0.3 1 299 71 71 GLU CA C 58.912 0.3 1 300 71 71 GLU CB C 28.800 0.3 1 301 71 71 GLU N N 118.351 0.3 1 302 72 72 LYS H H 7.373 0.020 1 303 72 72 LYS C C 179.388 0.3 1 304 72 72 LYS CA C 57.217 0.3 1 305 72 72 LYS CB C 30.017 0.3 1 306 72 72 LYS N N 120.756 0.3 1 307 73 73 ILE H H 8.067 0.020 1 308 73 73 ILE CA C 65.993 0.3 1 309 73 73 ILE CB C 36.677 0.3 1 310 73 73 ILE N N 121.924 0.3 1 311 74 74 ASP H H 8.245 0.020 1 312 74 74 ASP C C 178.855 0.3 1 313 74 74 ASP CA C 57.990 0.3 1 314 74 74 ASP CB C 40.340 0.3 1 315 74 74 ASP N N 121.082 0.3 1 316 75 75 GLU H H 7.873 0.020 1 317 75 75 GLU C C 179.082 0.3 1 318 75 75 GLU CA C 58.951 0.3 1 319 75 75 GLU CB C 28.773 0.3 1 320 75 75 GLU N N 121.888 0.3 1 321 76 76 PHE H H 8.198 0.020 1 322 76 76 PHE C C 178.528 0.3 1 323 76 76 PHE CA C 60.219 0.3 1 324 76 76 PHE CB C 39.309 0.3 1 325 76 76 PHE N N 123.346 0.3 1 326 77 77 LEU H H 8.712 0.020 1 327 77 77 LEU C C 178.692 0.3 1 328 77 77 LEU CA C 56.367 0.3 1 329 77 77 LEU CB C 40.621 0.3 1 330 77 77 LEU N N 121.565 0.3 1 331 78 78 ALA H H 7.902 0.020 1 332 78 78 ALA C C 179.419 0.3 1 333 78 78 ALA CA C 53.836 0.3 1 334 78 78 ALA CB C 18.066 0.3 1 335 78 78 ALA N N 121.884 0.3 1 336 79 79 THR H H 7.810 0.020 1 337 79 79 THR C C 175.825 0.3 1 338 79 79 THR CA C 62.448 0.3 1 339 79 79 THR CB C 70.149 0.3 1 340 79 79 THR N N 109.897 0.3 1 341 80 80 GLY H H 8.070 0.020 1 342 80 80 GLY C C 173.835 0.3 1 343 80 80 GLY CA C 45.370 0.3 1 344 80 80 GLY N N 112.752 0.3 1 345 81 81 LYS H H 7.812 0.020 1 346 81 81 LYS C C 175.460 0.3 1 347 81 81 LYS CA C 55.865 0.3 1 348 81 81 LYS CB C 32.953 0.3 1 349 81 81 LYS N N 120.791 0.3 1 350 82 82 LEU H H 7.987 0.020 1 351 82 82 LEU C C 177.679 0.3 1 352 82 82 LEU CA C 54.343 0.3 1 353 82 82 LEU CB C 41.841 0.3 1 354 82 82 LEU N N 120.862 0.3 1 355 83 83 ARG H H 8.426 0.020 1 356 83 83 ARG CA C 54.521 0.3 1 357 83 83 ARG N N 124.880 0.3 1 358 84 84 LYS CA C 56.058 0.3 1 359 85 85 LEU H H 8.138 0.020 1 360 85 85 LEU C C 177.557 0.3 1 361 85 85 LEU CA C 54.867 0.3 1 362 85 85 LEU CB C 41.096 0.3 1 363 85 85 LEU N N 124.661 0.3 1 364 86 86 GLU H H 8.088 0.020 1 365 86 86 GLU C C 176.946 0.3 1 366 86 86 GLU CA C 56.650 0.3 1 367 86 86 GLU CB C 29.362 0.3 1 368 86 86 GLU N N 122.558 0.3 1 369 87 87 LYS H H 8.081 0.020 1 370 87 87 LYS C C 176.977 0.3 1 371 87 87 LYS CA C 56.397 0.3 1 372 87 87 LYS CB C 31.710 0.3 1 373 87 87 LYS N N 123.030 0.3 1 374 88 88 ILE H H 7.909 0.020 1 375 88 88 ILE C C 176.663 0.3 1 376 88 88 ILE CA C 61.433 0.3 1 377 88 88 ILE CB C 37.586 0.3 1 378 88 88 ILE N N 122.810 0.3 1 379 89 89 ARG H H 8.209 0.020 1 380 89 89 ARG CA C 56.167 0.3 1 381 89 89 ARG CB C 29.744 0.3 1 382 89 89 ARG N N 125.413 0.3 1 383 90 90 GLN C C 176.794 0.3 1 384 90 90 GLN CA C 57.071 0.3 1 385 90 90 GLN CB C 29.235 0.3 1 386 91 91 ASP H H 8.191 0.020 1 387 91 91 ASP C C 176.419 0.3 1 388 91 91 ASP CA C 58.092 0.3 1 389 91 91 ASP CB C 38.355 0.3 1 390 91 91 ASP N N 121.784 0.3 1 391 92 92 ASP H H 7.923 0.020 1 392 92 92 ASP CA C 55.083 0.3 1 393 92 92 ASP CB C 41.246 0.3 1 394 92 92 ASP N N 123.827 0.3 1 395 93 93 THR C C 176.108 0.3 1 396 93 93 THR CA C 58.571 0.3 1 397 94 94 SER H H 7.849 0.020 1 398 94 94 SER C C 175.543 0.3 1 399 94 94 SER CA C 57.962 0.3 1 400 94 94 SER CB C 65.934 0.3 1 401 94 94 SER N N 119.668 0.3 1 402 95 95 SER H H 7.615 0.020 1 403 95 95 SER C C 172.938 0.3 1 404 95 95 SER CA C 57.205 0.3 1 405 95 95 SER CB C 65.714 0.3 1 406 95 95 SER N N 114.022 0.3 1 407 96 96 SER H H 8.883 0.020 1 408 96 96 SER C C 179.998 0.3 1 409 96 96 SER CA C 58.056 0.3 1 410 96 96 SER CB C 67.568 0.3 1 411 96 96 SER N N 117.721 0.3 1 412 97 97 ILE H H 7.849 0.020 1 413 97 97 ILE CA C 62.129 0.3 1 414 97 97 ILE CB C 34.188 0.3 1 415 97 97 ILE N N 123.588 0.3 1 416 98 98 ASN C C 175.086 0.3 1 417 98 98 ASN CA C 50.685 0.3 1 418 98 98 ASN CB C 36.199 0.3 1 419 99 99 PHE H H 8.329 0.020 1 420 99 99 PHE CA C 60.705 0.3 1 421 99 99 PHE CB C 39.497 0.3 1 422 99 99 PHE N N 118.777 0.3 1 423 100 100 LEU H H 8.366 0.020 1 424 100 100 LEU CA C 55.691 0.3 1 425 100 100 LEU CB C 39.199 0.3 1 426 100 100 LEU N N 127.463 0.3 1 427 103 103 VAL C C 174.606 0.3 1 428 104 104 THR H H 9.139 0.020 1 429 104 104 THR C C 172.615 0.3 1 430 104 104 THR CA C 64.172 0.3 1 431 104 104 THR CB C 70.375 0.3 1 432 104 104 THR N N 129.170 0.3 1 433 105 105 GLY H H 8.029 0.020 1 434 105 105 GLY CA C 43.487 0.3 1 435 105 105 GLY N N 112.382 0.3 1 436 110 110 ALA C C 174.244 0.3 1 437 110 110 ALA CA C 53.729 0.3 1 438 111 111 ALA H H 9.330 0.020 1 439 111 111 ALA C C 177.084 0.3 1 440 111 111 ALA CA C 55.798 0.3 1 441 111 111 ALA N N 128.430 0.3 1 442 112 112 ARG H H 8.270 0.020 1 443 112 112 ARG C C 176.459 0.3 1 444 112 112 ARG CA C 55.559 0.3 1 445 112 112 ARG CB C 31.946 0.3 1 446 112 112 ARG N N 124.338 0.3 1 447 113 113 LYS H H 8.141 0.020 1 448 113 113 LYS C C 175.925 0.3 1 449 113 113 LYS CA C 60.712 0.3 1 450 113 113 LYS CB C 37.852 0.3 1 451 113 113 LYS N N 124.228 0.3 1 452 114 114 LEU H H 8.258 0.020 1 453 114 114 LEU CA C 54.166 0.3 1 454 114 114 LEU CB C 40.579 0.3 1 455 114 114 LEU N N 125.522 0.3 1 456 116 116 ASP C C 175.661 0.3 1 457 116 116 ASP CA C 58.647 0.3 1 458 117 117 GLU H H 8.517 0.020 1 459 117 117 GLU C C 176.166 0.3 1 460 117 117 GLU CA C 55.995 0.3 1 461 117 117 GLU CB C 28.807 0.3 1 462 117 117 GLU N N 125.733 0.3 1 463 118 118 GLY H H 8.007 0.020 1 464 118 118 GLY CA C 44.995 0.3 1 465 118 118 GLY N N 109.226 0.3 1 466 119 119 ILE H H 7.806 0.020 1 467 119 119 ILE C C 172.969 0.3 1 468 119 119 ILE CA C 60.708 0.3 1 469 119 119 ILE CB C 37.586 0.3 1 470 119 119 ILE N N 121.615 0.3 1 471 120 120 LYS H H 8.724 0.020 1 472 120 120 LYS CB C 35.597 0.3 1 473 120 120 LYS N N 122.868 0.3 1 474 121 121 THR C C 174.857 0.3 1 475 121 121 THR CB C 72.443 0.3 1 476 122 122 LEU H H 8.456 0.020 1 477 122 122 LEU C C 178.640 0.3 1 478 122 122 LEU CA C 57.495 0.3 1 479 122 122 LEU CB C 40.080 0.3 1 480 122 122 LEU N N 121.928 0.3 1 481 123 123 GLU H H 8.113 0.020 1 482 123 123 GLU C C 179.159 0.3 1 483 123 123 GLU CA C 59.258 0.3 1 484 123 123 GLU CB C 28.067 0.3 1 485 123 123 GLU N N 119.012 0.3 1 486 124 124 ASP H H 7.764 0.020 1 487 124 124 ASP CA C 56.562 0.3 1 488 124 124 ASP CB C 41.163 0.3 1 489 124 124 ASP N N 120.432 0.3 1 490 125 125 LEU C C 178.172 0.3 1 491 125 125 LEU CB C 41.015 0.3 1 492 126 126 ARG H H 7.896 0.020 1 493 126 126 ARG C C 178.879 0.3 1 494 126 126 ARG CA C 58.938 0.3 1 495 126 126 ARG N N 117.300 0.3 1 496 127 127 LYS H H 7.420 0.020 1 497 127 127 LYS C C 176.398 0.3 1 498 127 127 LYS CA C 56.932 0.3 1 499 127 127 LYS CB C 31.888 0.3 1 500 127 127 LYS N N 118.950 0.3 1 501 128 128 ASN H H 7.568 0.020 1 502 128 128 ASN C C 174.949 0.3 1 503 128 128 ASN CA C 52.629 0.3 1 504 128 128 ASN CB C 39.918 0.3 1 505 128 128 ASN N N 120.440 0.3 1 506 129 129 GLU H H 7.627 0.020 1 507 129 129 GLU C C 177.243 0.3 1 508 129 129 GLU CA C 59.733 0.3 1 509 129 129 GLU CB C 28.455 0.3 1 510 129 129 GLU N N 120.666 0.3 1 511 130 130 ASP H H 8.611 0.020 1 512 130 130 ASP C C 177.167 0.3 1 513 130 130 ASP CA C 55.218 0.3 1 514 130 130 ASP CB C 38.828 0.3 1 515 130 130 ASP N N 117.624 0.3 1 516 131 131 LYS H H 7.724 0.020 1 517 131 131 LYS C C 175.854 0.3 1 518 131 131 LYS CA C 55.984 0.3 1 519 131 131 LYS CB C 31.634 0.3 1 520 131 131 LYS N N 119.314 0.3 1 521 132 132 LEU H H 7.492 0.020 1 522 132 132 LEU C C 176.604 0.3 1 523 132 132 LEU CA C 52.945 0.3 1 524 132 132 LEU CB C 41.917 0.3 1 525 132 132 LEU N N 120.704 0.3 1 526 133 133 ASN H H 8.089 0.020 1 527 133 133 ASN CA C 50.677 0.3 1 528 133 133 ASN CB C 37.970 0.3 1 529 133 133 ASN N N 119.898 0.3 1 530 135 135 HIS C C 174.960 0.3 1 531 135 135 HIS CA C 51.533 0.3 1 532 135 135 HIS CB C 30.458 0.3 1 533 136 136 GLN H H 9.194 0.020 1 534 136 136 GLN CA C 54.851 0.3 1 535 136 136 GLN CB C 27.208 0.3 1 536 136 136 GLN N N 130.054 0.3 1 537 137 137 ARG C C 176.581 0.3 1 538 137 137 ARG CA C 56.099 0.3 1 539 137 137 ARG CB C 31.872 0.3 1 540 138 138 ILE H H 8.013 0.020 1 541 138 138 ILE CA C 60.886 0.3 1 542 138 138 ILE CB C 37.756 0.3 1 543 138 138 ILE N N 123.408 0.3 1 544 140 140 LEU H H 8.221 0.020 1 545 140 140 LEU C C 178.556 0.3 1 546 140 140 LEU CA C 54.869 0.3 1 547 140 140 LEU CB C 41.651 0.3 1 548 140 140 LEU N N 125.975 0.3 1 549 141 141 LYS H H 7.744 0.020 1 550 141 141 LYS C C 178.023 0.3 1 551 141 141 LYS CA C 58.640 0.3 1 552 141 141 LYS CB C 31.302 0.3 1 553 141 141 LYS N N 123.826 0.3 1 554 142 142 TYR H H 7.000 0.020 1 555 142 142 TYR C C 174.350 0.3 1 556 142 142 TYR CA C 54.399 0.3 1 557 142 142 TYR CB C 36.095 0.3 1 558 142 142 TYR N N 115.557 0.3 1 559 143 143 PHE H H 7.059 0.020 1 560 143 143 PHE C C 177.366 0.3 1 561 143 143 PHE CA C 62.302 0.3 1 562 143 143 PHE CB C 39.450 0.3 1 563 143 143 PHE N N 122.347 0.3 1 564 144 144 GLU H H 8.880 0.020 1 565 144 144 GLU CA C 59.186 0.3 1 566 144 144 GLU CB C 27.962 0.3 1 567 144 144 GLU N N 117.239 0.3 1 568 145 145 ASP C C 180.056 0.3 1 569 145 145 ASP CA C 57.387 0.3 1 570 145 145 ASP CB C 39.344 0.3 1 571 146 146 PHE H H 8.571 0.020 1 572 146 146 PHE C C 176.850 0.3 1 573 146 146 PHE CA C 55.062 0.3 1 574 146 146 PHE CB C 35.556 0.3 1 575 146 146 PHE N N 119.430 0.3 1 576 147 147 GLU H H 7.180 0.020 1 577 147 147 GLU C C 176.924 0.3 1 578 147 147 GLU CA C 56.866 0.3 1 579 147 147 GLU CB C 29.295 0.3 1 580 147 147 GLU N N 118.027 0.3 1 581 148 148 LYS H H 7.290 0.020 1 582 148 148 LYS C C 177.313 0.3 1 583 148 148 LYS CA C 55.759 0.3 1 584 148 148 LYS CB C 32.849 0.3 1 585 148 148 LYS N N 120.619 0.3 1 586 149 149 ARG H H 8.680 0.020 1 587 149 149 ARG C C 176.047 0.3 1 588 149 149 ARG CA C 54.451 0.3 1 589 149 149 ARG CB C 29.599 0.3 1 590 149 149 ARG N N 123.082 0.3 1 591 150 150 ILE H H 9.334 0.020 1 592 150 150 ILE CA C 58.188 0.3 1 593 150 150 ILE CB C 37.916 0.3 1 594 150 150 ILE N N 123.827 0.3 1 595 151 151 PRO C C 178.460 0.3 1 596 151 151 PRO CA C 62.436 0.3 1 597 151 151 PRO CB C 32.234 0.3 1 598 152 152 ARG H H 8.241 0.020 1 599 152 152 ARG C C 177.151 0.3 1 600 152 152 ARG CA C 60.061 0.3 1 601 152 152 ARG CB C 28.364 0.3 1 602 152 152 ARG N N 127.204 0.3 1 603 153 153 GLU H H 9.416 0.020 1 604 153 153 GLU C C 179.916 0.3 1 605 153 153 GLU CA C 59.833 0.3 1 606 153 153 GLU CB C 28.293 0.3 1 607 153 153 GLU N N 117.232 0.3 1 608 154 154 GLU H H 7.130 0.020 1 609 154 154 GLU CA C 58.380 0.3 1 610 154 154 GLU CB C 29.786 0.3 1 611 154 154 GLU N N 119.018 0.3 1 612 155 155 MET H H 7.758 0.020 1 613 155 155 MET C C 179.281 0.3 1 614 155 155 MET CA C 56.367 0.3 1 615 155 155 MET CB C 31.230 0.3 1 616 155 155 MET N N 122.139 0.3 1 617 156 156 LEU H H 8.641 0.020 1 618 156 156 LEU C C 179.531 0.3 1 619 156 156 LEU CA C 57.821 0.3 1 620 156 156 LEU CB C 40.634 0.3 1 621 156 156 LEU N N 120.331 0.3 1 622 157 157 GLN H H 6.993 0.020 1 623 157 157 GLN C C 174.949 0.3 1 624 157 157 GLN CA C 58.431 0.3 1 625 157 157 GLN CB C 29.068 0.3 1 626 157 157 GLN N N 120.490 0.3 1 627 158 158 MET H H 8.451 0.020 1 628 158 158 MET CA C 58.857 0.3 1 629 158 158 MET CB C 33.946 0.3 1 630 158 158 MET N N 121.375 0.3 1 631 159 159 GLN H H 8.822 0.020 1 632 159 159 GLN C C 175.746 0.3 1 633 159 159 GLN CA C 59.112 0.3 1 634 159 159 GLN CB C 28.678 0.3 1 635 159 159 GLN N N 120.087 0.3 1 636 160 160 ASP H H 7.545 0.020 1 637 160 160 ASP CA C 57.254 0.3 1 638 160 160 ASP CB C 39.932 0.3 1 639 160 160 ASP N N 119.561 0.3 1 640 161 161 ILE H H 7.102 0.020 1 641 161 161 ILE CA C 64.945 0.3 1 642 161 161 ILE CB C 37.394 0.3 1 643 161 161 ILE N N 120.046 0.3 1 644 163 163 LEU C C 180.281 0.3 1 645 163 163 LEU CA C 58.022 0.3 1 646 163 163 LEU CB C 39.022 0.3 1 647 164 164 ASN H H 8.152 0.020 1 648 164 164 ASN C C 178.314 0.3 1 649 164 164 ASN CA C 55.822 0.3 1 650 164 164 ASN CB C 37.719 0.3 1 651 164 164 ASN N N 117.843 0.3 1 652 165 165 GLU H H 8.075 0.020 1 653 165 165 GLU CA C 58.062 0.3 1 654 165 165 GLU CB C 27.862 0.3 1 655 165 165 GLU N N 118.869 0.3 1 656 166 166 VAL C C 176.489 0.3 1 657 166 166 VAL CA C 66.613 0.3 1 658 166 166 VAL CB C 30.571 0.3 1 659 167 167 LYS H H 7.513 0.020 1 660 167 167 LYS C C 178.335 0.3 1 661 167 167 LYS CA C 58.274 0.3 1 662 167 167 LYS CB C 31.084 0.3 1 663 167 167 LYS N N 119.400 0.3 1 664 168 168 LYS H H 7.233 0.020 1 665 168 168 LYS C C 178.573 0.3 1 666 168 168 LYS CA C 58.113 0.3 1 667 168 168 LYS CB C 31.675 0.3 1 668 168 168 LYS N N 117.460 0.3 1 669 169 169 LEU H H 7.270 0.020 1 670 169 169 LEU C C 177.938 0.3 1 671 169 169 LEU CA C 56.831 0.3 1 672 169 169 LEU CB C 42.456 0.3 1 673 169 169 LEU N N 120.514 0.3 1 674 170 170 ASP H H 7.720 0.020 1 675 170 170 ASP CA C 52.015 0.3 1 676 170 170 ASP CB C 42.002 0.3 1 677 170 170 ASP N N 116.251 0.3 1 678 171 171 PRO C C 176.820 0.3 1 679 171 171 PRO CA C 63.621 0.3 1 680 171 171 PRO CB C 31.405 0.3 1 681 172 172 GLU H H 8.505 0.020 1 682 172 172 GLU C C 178.528 0.3 1 683 172 172 GLU CA C 56.005 0.3 1 684 172 172 GLU CB C 28.418 0.3 1 685 172 172 GLU N N 117.142 0.3 1 686 173 173 TYR H H 7.487 0.020 1 687 173 173 TYR CA C 59.650 0.3 1 688 173 173 TYR CB C 40.112 0.3 1 689 173 173 TYR N N 117.259 0.3 1 690 174 174 ILE H H 8.066 0.020 1 691 174 174 ILE C C 173.789 0.3 1 692 174 174 ILE CA C 60.817 0.3 1 693 174 174 ILE CB C 39.247 0.3 1 694 174 174 ILE N N 121.023 0.3 1 695 175 175 ALA H H 8.579 0.020 1 696 175 175 ALA CA C 49.533 0.3 1 697 175 175 ALA CB C 20.911 0.3 1 698 175 175 ALA N N 129.361 0.3 1 699 176 176 THR H H 8.401 0.020 1 700 176 176 THR C C 173.148 0.3 1 701 176 176 THR CA C 61.498 0.3 1 702 176 176 THR CB C 71.410 0.3 1 703 176 176 THR N N 116.603 0.3 1 704 177 177 VAL H H 9.591 0.020 1 705 177 177 VAL C C 176.377 0.3 1 706 177 177 VAL CA C 62.491 0.3 1 707 177 177 VAL CB C 29.740 0.3 1 708 177 177 VAL N N 132.286 0.3 1 709 178 178 CYS H H 8.611 0.020 1 710 178 178 CYS C C 173.423 0.3 1 711 178 178 CYS CA C 58.860 0.3 1 712 178 178 CYS CB C 26.767 0.3 1 713 178 178 CYS N N 126.731 0.3 1 714 179 179 GLY H H 7.700 0.020 1 715 179 179 GLY C C 174.209 0.3 1 716 179 179 GLY CA C 44.677 0.3 1 717 179 179 GLY N N 109.264 0.3 1 718 180 180 SER H H 7.906 0.020 1 719 180 180 SER CA C 61.947 0.3 1 720 180 180 SER N N 120.928 0.3 1 721 181 181 PHE C C 179.241 0.3 1 722 181 181 PHE CA C 60.661 0.3 1 723 181 181 PHE CB C 39.205 0.3 1 724 182 182 ARG H H 7.419 0.020 1 725 182 182 ARG C C 175.854 0.3 1 726 182 182 ARG CA C 58.176 0.3 1 727 182 182 ARG CB C 27.603 0.3 1 728 182 182 ARG N N 124.219 0.3 1 729 183 183 ARG H H 6.930 0.020 1 730 183 183 ARG C C 174.826 0.3 1 731 183 183 ARG CA C 55.483 0.3 1 732 183 183 ARG CB C 29.013 0.3 1 733 183 183 ARG N N 114.345 0.3 1 734 184 184 GLY H H 7.324 0.020 1 735 184 184 GLY C C 174.458 0.3 1 736 184 184 GLY CA C 44.266 0.3 1 737 184 184 GLY N N 105.870 0.3 1 738 185 185 ALA H H 7.380 0.020 1 739 185 185 ALA CA C 52.776 0.3 1 740 185 185 ALA CB C 18.940 0.3 1 741 185 185 ALA N N 122.912 0.3 1 742 186 186 GLU H H 7.849 0.020 1 743 186 186 GLU CA C 61.958 0.3 1 744 186 186 GLU N N 112.533 0.3 1 745 188 188 SER CA C 56.588 0.3 1 746 189 189 GLY H H 8.320 0.020 1 747 189 189 GLY C C 172.660 0.3 1 748 189 189 GLY CA C 44.952 0.3 1 749 189 189 GLY N N 110.515 0.3 1 750 190 190 ASP H H 7.604 0.020 1 751 190 190 ASP C C 172.325 0.3 1 752 190 190 ASP CA C 52.288 0.3 1 753 190 190 ASP CB C 41.084 0.3 1 754 190 190 ASP N N 118.325 0.3 1 755 191 191 MET H H 7.989 0.020 1 756 191 191 MET C C 172.462 0.3 1 757 191 191 MET CA C 54.475 0.3 1 758 191 191 MET CB C 34.153 0.3 1 759 191 191 MET N N 118.800 0.3 1 760 192 192 ASP H H 9.170 0.020 1 761 192 192 ASP CA C 52.736 0.3 1 762 192 192 ASP CB C 42.029 0.3 1 763 192 192 ASP N N 131.864 0.3 1 764 196 196 THR C C 171.410 0.3 1 765 196 196 THR CA C 60.808 0.3 1 766 196 196 THR CB C 68.884 0.3 1 767 197 197 HIS H H 8.661 0.020 1 768 197 197 HIS CA C 54.905 0.3 1 769 197 197 HIS CB C 35.640 0.3 1 770 197 197 HIS N N 124.406 0.3 1 771 198 198 PRO C C 176.582 0.3 1 772 198 198 PRO CA C 63.981 0.3 1 773 198 198 PRO CB C 31.079 0.3 1 774 199 199 ASN H H 10.926 0.020 1 775 199 199 ASN CA C 53.446 0.3 1 776 199 199 ASN CB C 37.407 0.3 1 777 199 199 ASN N N 119.769 0.3 1 778 200 200 PHE H H 8.395 0.020 1 779 200 200 PHE C C 172.569 0.3 1 780 200 200 PHE CA C 54.520 0.3 1 781 200 200 PHE CB C 39.224 0.3 1 782 200 200 PHE N N 124.068 0.3 1 783 201 201 THR H H 8.249 0.020 1 784 201 201 THR CA C 59.758 0.3 1 785 201 201 THR CB C 71.616 0.3 1 786 201 201 THR N N 117.774 0.3 1 787 203 203 GLU C C 176.500 0.3 1 788 203 203 GLU CA C 56.087 0.3 1 789 203 203 GLU CB C 29.603 0.3 1 790 204 204 SER H H 7.569 0.020 1 791 204 204 SER C C 176.914 0.3 1 792 204 204 SER CA C 57.961 0.3 1 793 204 204 SER CB C 64.043 0.3 1 794 204 204 SER N N 117.665 0.3 1 795 205 205 SER H H 7.721 0.020 1 796 205 205 SER C C 174.598 0.3 1 797 205 205 SER CA C 58.301 0.3 1 798 205 205 SER CB C 63.486 0.3 1 799 205 205 SER N N 114.057 0.3 1 800 206 206 LYS H H 8.372 0.020 1 801 206 206 LYS C C 175.951 0.3 1 802 206 206 LYS CA C 56.498 0.3 1 803 206 206 LYS CB C 31.722 0.3 1 804 206 206 LYS N N 123.240 0.3 1 805 207 207 GLN H H 7.871 0.020 1 806 207 207 GLN CA C 52.764 0.3 1 807 207 207 GLN CB C 29.243 0.3 1 808 207 207 GLN N N 122.261 0.3 1 809 208 208 PRO C C 176.321 0.3 1 810 208 208 PRO CA C 60.916 0.3 1 811 209 209 LYS H H 8.279 0.020 1 812 209 209 LYS C C 177.099 0.3 1 813 209 209 LYS CA C 55.806 0.3 1 814 209 209 LYS CB C 29.574 0.3 1 815 209 209 LYS N N 126.325 0.3 1 816 210 210 LEU H H 8.245 0.020 1 817 210 210 LEU C C 176.114 0.3 1 818 210 210 LEU CA C 55.661 0.3 1 819 210 210 LEU CB C 40.570 0.3 1 820 210 210 LEU N N 124.135 0.3 1 821 211 211 LEU H H 8.338 0.020 1 822 211 211 LEU CA C 54.162 0.3 1 823 211 211 LEU CB C 40.696 0.3 1 824 211 211 LEU N N 122.926 0.3 1 825 212 212 HIS H H 8.289 0.020 1 826 212 212 HIS C C 176.979 0.3 1 827 212 212 HIS CA C 57.057 0.3 1 828 212 212 HIS CB C 29.234 0.3 1 829 212 212 HIS N N 123.487 0.3 1 830 213 213 ARG H H 8.396 0.020 1 831 213 213 ARG C C 179.174 0.3 1 832 213 213 ARG CA C 58.806 0.3 1 833 213 213 ARG CB C 29.363 0.3 1 834 213 213 ARG N N 117.118 0.3 1 835 214 214 VAL H H 6.586 0.020 1 836 214 214 VAL CA C 65.546 0.3 1 837 214 214 VAL CB C 30.918 0.3 1 838 214 214 VAL N N 119.853 0.3 1 839 215 215 VAL C C 177.282 0.3 1 840 215 215 VAL CA C 66.204 0.3 1 841 215 215 VAL CB C 30.369 0.3 1 842 216 216 GLU H H 8.421 0.020 1 843 216 216 GLU C C 179.532 0.3 1 844 216 216 GLU CA C 58.295 0.3 1 845 216 216 GLU CB C 28.454 0.3 1 846 216 216 GLU N N 118.401 0.3 1 847 217 217 GLN H H 7.497 0.020 1 848 217 217 GLN CA C 57.523 0.3 1 849 217 217 GLN CB C 26.774 0.3 1 850 217 217 GLN N N 121.904 0.3 1 851 219 219 GLN C C 179.920 0.3 1 852 219 219 GLN CA C 58.212 0.3 1 853 219 219 GLN CB C 28.275 0.3 1 854 220 220 LYS H H 8.296 0.020 1 855 220 220 LYS C C 179.077 0.3 1 856 220 220 LYS CA C 59.520 0.3 1 857 220 220 LYS CB C 30.968 0.3 1 858 220 220 LYS N N 126.830 0.3 1 859 221 221 VAL H H 7.343 0.020 1 860 221 221 VAL C C 174.931 0.3 1 861 221 221 VAL CA C 60.778 0.3 1 862 221 221 VAL CB C 29.479 0.3 1 863 221 221 VAL N N 109.680 0.3 1 864 222 222 ARG H H 7.752 0.020 1 865 222 222 ARG C C 174.232 0.3 1 866 222 222 ARG CA C 56.877 0.3 1 867 222 222 ARG CB C 25.271 0.3 1 868 222 222 ARG N N 116.479 0.3 1 869 223 223 PHE H H 7.786 0.020 1 870 223 223 PHE C C 175.794 0.3 1 871 223 223 PHE CA C 58.786 0.3 1 872 223 223 PHE CB C 39.841 0.3 1 873 223 223 PHE N N 119.228 0.3 1 874 224 224 ILE H H 6.665 0.020 1 875 224 224 ILE C C 176.215 0.3 1 876 224 224 ILE CA C 59.739 0.3 1 877 224 224 ILE CB C 37.521 0.3 1 878 224 224 ILE N N 116.094 0.3 1 879 225 225 THR H H 8.826 0.020 1 880 225 225 THR C C 174.842 0.3 1 881 225 225 THR CA C 62.112 0.3 1 882 225 225 THR CB C 68.661 0.3 1 883 225 225 THR N N 120.788 0.3 1 884 226 226 ASP H H 7.434 0.020 1 885 226 226 ASP C C 173.682 0.3 1 886 226 226 ASP CA C 53.354 0.3 1 887 226 226 ASP CB C 45.089 0.3 1 888 226 226 ASP N N 118.757 0.3 1 889 227 227 THR H H 9.349 0.020 1 890 227 227 THR CA C 62.565 0.3 1 891 227 227 THR N N 120.309 0.3 1 892 228 228 LEU C C 175.796 0.3 1 893 229 229 SER H H 7.704 0.020 1 894 229 229 SER CA C 57.273 0.3 1 895 229 229 SER CB C 64.826 0.3 1 896 229 229 SER N N 112.029 0.3 1 897 230 230 LYS C C 174.265 0.3 1 898 230 230 LYS CA C 55.356 0.3 1 899 230 230 LYS CB C 33.455 0.3 1 900 231 231 GLY H H 8.054 0.020 1 901 231 231 GLY CA C 43.798 0.3 1 902 231 231 GLY N N 115.554 0.3 1 903 233 233 THR C C 173.787 0.3 1 904 234 234 LYS H H 7.187 0.020 1 905 234 234 LYS C C 173.684 0.3 1 906 234 234 LYS CA C 55.609 0.3 1 907 234 234 LYS CB C 34.662 0.3 1 908 234 234 LYS N N 124.354 0.3 1 909 235 235 PHE H H 9.477 0.020 1 910 235 235 PHE C C 172.925 0.3 1 911 235 235 PHE CA C 55.677 0.3 1 912 235 235 PHE CB C 41.815 0.3 1 913 235 235 PHE N N 130.350 0.3 1 914 236 236 MET H H 8.202 0.020 1 915 236 236 MET C C 175.234 0.3 1 916 236 236 MET CA C 53.421 0.3 1 917 236 236 MET CB C 35.392 0.3 1 918 236 236 MET N N 126.488 0.3 1 919 237 237 GLY H H 9.188 0.020 1 920 237 237 GLY C C 171.856 0.3 1 921 237 237 GLY CA C 45.569 0.3 1 922 237 237 GLY N N 112.342 0.3 1 923 238 238 VAL H H 8.519 0.020 1 924 238 238 VAL C C 174.007 0.3 1 925 238 238 VAL CB C 33.919 0.3 1 926 238 238 VAL N N 127.005 0.3 1 927 239 239 CYS H H 9.676 0.020 1 928 239 239 CYS CA C 54.068 0.3 1 929 239 239 CYS CB C 32.316 0.3 1 930 239 239 CYS N N 124.523 0.3 1 931 240 240 GLN C C 174.404 0.3 1 932 240 240 GLN CA C 54.250 0.3 1 933 241 241 LEU H H 9.270 0.020 1 934 241 241 LEU CA C 52.583 0.3 1 935 241 241 LEU CB C 40.406 0.3 1 936 241 241 LEU N N 130.716 0.3 1 937 242 242 PRO C C 176.285 0.3 1 938 242 242 PRO CA C 61.993 0.3 1 939 242 242 PRO CB C 31.189 0.3 1 940 243 243 SER H H 8.315 0.020 1 941 243 243 SER C C 175.000 0.3 1 942 243 243 SER CA C 56.725 0.3 1 943 243 243 SER CB C 64.716 0.3 1 944 243 243 SER N N 115.690 0.3 1 945 244 244 GLU H H 8.866 0.020 1 946 244 244 GLU C C 176.374 0.3 1 947 244 244 GLU CA C 56.239 0.3 1 948 244 244 GLU CB C 29.408 0.3 1 949 244 244 GLU N N 125.305 0.3 1 950 245 245 ASN H H 8.389 0.020 1 951 245 245 ASN CA C 52.908 0.3 1 952 245 245 ASN CB C 38.724 0.3 1 953 245 245 ASN N N 118.974 0.3 1 954 246 246 ASP H H 8.327 0.020 1 955 246 246 ASP C C 176.041 0.3 1 956 246 246 ASP CA C 55.026 0.3 1 957 246 246 ASP CB C 40.083 0.3 1 958 246 246 ASP N N 120.414 0.3 1 959 247 247 GLU H H 8.007 0.020 1 960 247 247 GLU C C 175.757 0.3 1 961 247 247 GLU CA C 55.978 0.3 1 962 247 247 GLU CB C 29.551 0.3 1 963 247 247 GLU N N 119.956 0.3 1 964 248 248 ASN H H 8.112 0.020 1 965 248 248 ASN CA C 52.536 0.3 1 966 248 248 ASN CB C 38.846 0.3 1 967 248 248 ASN N N 120.794 0.3 1 968 249 249 GLU H H 8.403 0.020 1 969 249 249 GLU C C 176.707 0.3 1 970 249 249 GLU CA C 55.833 0.3 1 971 249 249 GLU CB C 29.729 0.3 1 972 249 249 GLU N N 124.008 0.3 1 973 250 250 TYR H H 8.946 0.020 1 974 250 250 TYR CA C 57.205 0.3 1 975 250 250 TYR CB C 37.622 0.3 1 976 250 250 TYR N N 125.182 0.3 1 977 251 251 PRO C C 176.009 0.3 1 978 251 251 PRO CA C 61.890 0.3 1 979 251 251 PRO CB C 31.540 0.3 1 980 252 252 HIS H H 9.007 0.020 1 981 252 252 HIS C C 173.989 0.3 1 982 252 252 HIS CA C 56.970 0.3 1 983 252 252 HIS CB C 27.376 0.3 1 984 252 252 HIS N N 120.798 0.3 1 985 253 253 ARG H H 9.071 0.020 1 986 253 253 ARG C C 176.017 0.3 1 987 253 253 ARG CA C 51.209 0.3 1 988 253 253 ARG CB C 32.265 0.3 1 989 253 253 ARG N N 116.538 0.3 1 990 254 254 ARG H H 8.696 0.020 1 991 254 254 ARG CA C 54.724 0.3 1 992 254 254 ARG CB C 28.409 0.3 1 993 254 254 ARG N N 124.408 0.3 1 994 258 258 ARG C C 173.596 0.3 1 995 258 258 ARG CA C 53.825 0.3 1 996 258 258 ARG CB C 32.511 0.3 1 997 259 259 LEU H H 8.897 0.020 1 998 259 259 LEU CA C 53.179 0.3 1 999 259 259 LEU CB C 43.571 0.3 1 1000 259 259 LEU N N 127.918 0.3 1 1001 261 261 PRO C C 178.515 0.3 1 1002 261 261 PRO CA C 62.099 0.3 1 1003 261 261 PRO CB C 31.303 0.3 1 1004 262 262 LYS H H 9.371 0.020 1 1005 262 262 LYS C C 178.433 0.3 1 1006 262 262 LYS CA C 59.852 0.3 1 1007 262 262 LYS CB C 30.983 0.3 1 1008 262 262 LYS N N 127.605 0.3 1 1009 263 263 ASP H H 9.276 0.020 1 1010 263 263 ASP C C 176.016 0.3 1 1011 263 263 ASP CA C 54.427 0.3 1 1012 263 263 ASP CB C 38.209 0.3 1 1013 263 263 ASP N N 114.168 0.3 1 1014 264 264 GLN H H 7.882 0.020 1 1015 264 264 GLN C C 177.445 0.3 1 1016 264 264 GLN CA C 55.388 0.3 1 1017 264 264 GLN CB C 28.549 0.3 1 1018 264 264 GLN N N 119.785 0.3 1 1019 265 265 TYR H H 7.448 0.020 1 1020 265 265 TYR C C 176.328 0.3 1 1021 265 265 TYR CA C 61.807 0.3 1 1022 265 265 TYR CB C 39.124 0.3 1 1023 265 265 TYR N N 122.474 0.3 1 1024 266 266 TYR H H 7.605 0.020 1 1025 266 266 TYR C C 173.842 0.3 1 1026 266 266 TYR CA C 63.577 0.3 1 1027 266 266 TYR CB C 36.478 0.3 1 1028 266 266 TYR N N 116.831 0.3 1 1029 267 267 CYS H H 9.218 0.020 1 1030 267 267 CYS CA C 64.494 0.3 1 1031 267 267 CYS CB C 25.666 0.3 1 1032 267 267 CYS N N 121.724 0.3 1 1033 268 268 GLY H H 7.496 0.020 1 1034 268 268 GLY C C 177.250 0.3 1 1035 268 268 GLY CA C 47.425 0.3 1 1036 268 268 GLY N N 111.971 0.3 1 1037 269 269 VAL H H 8.738 0.020 1 1038 269 269 VAL CA C 65.749 0.3 1 1039 269 269 VAL CB C 31.452 0.3 1 1040 269 269 VAL N N 125.674 0.3 1 1041 270 270 LEU H H 8.373 0.020 1 1042 270 270 LEU CA C 58.715 0.3 1 1043 270 270 LEU CB C 41.977 0.3 1 1044 270 270 LEU N N 124.557 0.3 1 1045 271 271 TYR H H 8.053 0.020 1 1046 271 271 TYR C C 179.443 0.3 1 1047 271 271 TYR CA C 61.160 0.3 1 1048 271 271 TYR CB C 37.727 0.3 1 1049 271 271 TYR N N 122.399 0.3 1 1050 272 272 PHE H H 9.095 0.020 1 1051 272 272 PHE C C 178.366 0.3 1 1052 272 272 PHE CA C 60.848 0.3 1 1053 272 272 PHE CB C 36.204 0.3 1 1054 272 272 PHE N N 114.994 0.3 1 1055 273 273 THR H H 7.798 0.020 1 1056 273 273 THR C C 172.658 0.3 1 1057 273 273 THR CA C 66.239 0.3 1 1058 273 273 THR CB C 68.064 0.3 1 1059 273 273 THR N N 121.634 0.3 1 1060 274 274 GLY H H 6.968 0.020 1 1061 274 274 GLY C C 175.100 0.3 1 1062 274 274 GLY CA C 42.886 0.3 1 1063 274 274 GLY N N 108.740 0.3 1 1064 275 275 SER H H 7.409 0.020 1 1065 275 275 SER CA C 59.125 0.3 1 1066 275 275 SER N N 116.887 0.3 1 1067 276 276 ASP C C 178.838 0.3 1 1068 276 276 ASP CA C 52.586 0.3 1 1069 277 277 ILE H H 7.910 0.020 1 1070 277 277 ILE CA C 63.401 0.3 1 1071 277 277 ILE CB C 36.897 0.3 1 1072 277 277 ILE N N 122.292 0.3 1 1073 278 278 PHE H H 7.667 0.020 1 1074 278 278 PHE C C 176.993 0.3 1 1075 278 278 PHE CA C 61.517 0.3 1 1076 278 278 PHE CB C 38.462 0.3 1 1077 278 278 PHE N N 124.306 0.3 1 1078 279 279 ASN H H 8.483 0.020 1 1079 279 279 ASN C C 178.230 0.3 1 1080 279 279 ASN CA C 55.515 0.3 1 1081 279 279 ASN CB C 37.123 0.3 1 1082 279 279 ASN N N 118.842 0.3 1 1083 280 280 LYS H H 7.645 0.020 1 1084 280 280 LYS C C 179.433 0.3 1 1085 280 280 LYS CA C 59.349 0.3 1 1086 280 280 LYS CB C 31.146 0.3 1 1087 280 280 LYS N N 122.166 0.3 1 1088 281 281 ASN H H 8.429 0.020 1 1089 281 281 ASN C C 175.563 0.3 1 1090 281 281 ASN CA C 55.155 0.3 1 1091 281 281 ASN CB C 36.749 0.3 1 1092 281 281 ASN N N 122.359 0.3 1 1093 282 282 MET H H 9.090 0.020 1 1094 282 282 MET C C 177.630 0.3 1 1095 282 282 MET CA C 58.754 0.3 1 1096 282 282 MET CB C 30.152 0.3 1 1097 282 282 MET N N 125.560 0.3 1 1098 283 283 ARG H H 8.089 0.020 1 1099 283 283 ARG C C 178.918 0.3 1 1100 283 283 ARG CA C 59.481 0.3 1 1101 283 283 ARG CB C 29.155 0.3 1 1102 283 283 ARG N N 119.599 0.3 1 1103 284 284 ALA H H 7.761 0.020 1 1104 284 284 ALA C C 180.256 0.3 1 1105 284 284 ALA CA C 54.609 0.3 1 1106 284 284 ALA CB C 17.280 0.3 1 1107 284 284 ALA N N 122.962 0.3 1 1108 285 285 HIS H H 7.691 0.020 1 1109 285 285 HIS CA C 59.358 0.3 1 1110 285 285 HIS CB C 29.302 0.3 1 1111 285 285 HIS N N 120.921 0.3 1 1112 286 286 ALA C C 179.370 0.3 1 1113 286 286 ALA CA C 55.110 0.3 1 1114 286 286 ALA CB C 17.114 0.3 1 1115 287 287 LEU H H 7.693 0.020 1 1116 287 287 LEU C C 181.477 0.3 1 1117 287 287 LEU CA C 57.681 0.3 1 1118 287 287 LEU CB C 41.253 0.3 1 1119 287 287 LEU N N 120.104 0.3 1 1120 288 288 GLU H H 7.345 0.020 1 1121 288 288 GLU C C 178.335 0.3 1 1122 288 288 GLU CA C 58.463 0.3 1 1123 288 288 GLU CB C 28.283 0.3 1 1124 288 288 GLU N N 121.709 0.3 1 1125 289 289 LYS H H 7.373 0.020 1 1126 289 289 LYS C C 175.455 0.3 1 1127 289 289 LYS CA C 53.491 0.3 1 1128 289 289 LYS CB C 30.543 0.3 1 1129 289 289 LYS N N 117.320 0.3 1 1130 290 290 GLY H H 7.724 0.020 1 1131 290 290 GLY CA C 45.284 0.3 1 1132 290 290 GLY N N 107.530 0.3 1 1133 291 291 PHE H H 8.576 0.020 1 1134 291 291 PHE C C 173.528 0.3 1 1135 291 291 PHE CA C 56.227 0.3 1 1136 291 291 PHE CB C 42.597 0.3 1 1137 291 291 PHE N N 121.407 0.3 1 1138 292 292 THR H H 8.975 0.020 1 1139 292 292 THR C C 172.984 0.3 1 1140 292 292 THR CA C 57.991 0.3 1 1141 292 292 THR CB C 69.881 0.3 1 1142 292 292 THR N N 114.127 0.3 1 1143 293 293 ILE H H 8.013 0.020 1 1144 293 293 ILE C C 173.886 0.3 1 1145 293 293 ILE CA C 59.241 0.3 1 1146 293 293 ILE CB C 40.776 0.3 1 1147 293 293 ILE N N 130.942 0.3 1 1148 294 294 ASN H H 8.487 0.020 1 1149 294 294 ASN C C 173.769 0.3 1 1150 294 294 ASN CA C 50.720 0.3 1 1151 294 294 ASN CB C 37.996 0.3 1 1152 294 294 ASN N N 128.397 0.3 1 1153 295 295 GLU H H 9.138 0.020 1 1154 295 295 GLU CA C 57.823 0.3 1 1155 295 295 GLU CB C 27.503 0.3 1 1156 295 295 GLU N N 117.773 0.3 1 1157 296 296 TYR C C 175.869 0.3 1 1158 296 296 TYR CB C 41.031 0.3 1 1159 297 297 THR H H 8.313 0.020 1 1160 297 297 THR C C 172.774 0.3 1 1161 297 297 THR CA C 60.072 0.3 1 1162 297 297 THR CB C 75.218 0.3 1 1163 297 297 THR N N 108.647 0.3 1 1164 298 298 ILE H H 9.419 0.020 1 1165 298 298 ILE C C 177.347 0.3 1 1166 298 298 ILE CA C 58.477 0.3 1 1167 298 298 ILE CB C 39.907 0.3 1 1168 298 298 ILE N N 120.103 0.3 1 1169 299 299 ARG H H 8.292 0.020 1 1170 299 299 ARG CA C 51.232 0.3 1 1171 299 299 ARG CB C 32.402 0.3 1 1172 299 299 ARG N N 125.844 0.3 1 1173 300 300 PRO C C 175.727 0.3 1 1174 300 300 PRO CA C 61.555 0.3 1 1175 300 300 PRO CB C 30.935 0.3 1 1176 301 301 LEU H H 7.969 0.020 1 1177 301 301 LEU C C 177.109 0.3 1 1178 301 301 LEU CA C 53.364 0.3 1 1179 301 301 LEU CB C 42.442 0.3 1 1180 301 301 LEU N N 123.898 0.3 1 1181 302 302 GLY H H 8.056 0.020 1 1182 302 302 GLY C C 176.016 0.3 1 1183 302 302 GLY CA C 43.851 0.3 1 1184 302 302 GLY N N 111.556 0.3 1 1185 303 303 VAL H H 8.438 0.020 1 1186 303 303 VAL CA C 63.986 0.3 1 1187 303 303 VAL N N 119.764 0.3 1 1188 304 304 THR C C 175.141 0.3 1 1189 304 304 THR CA C 60.781 0.3 1 1190 304 304 THR CB C 68.690 0.3 1 1191 305 305 GLY H H 7.901 0.020 1 1192 305 305 GLY C C 173.114 0.3 1 1193 305 305 GLY CA C 45.096 0.3 1 1194 305 305 GLY N N 110.467 0.3 1 1195 306 306 VAL H H 7.404 0.020 1 1196 306 306 VAL C C 171.754 0.3 1 1197 306 306 VAL CA C 61.197 0.3 1 1198 306 306 VAL CB C 31.428 0.3 1 1199 306 306 VAL N N 121.435 0.3 1 1200 307 307 ALA H H 8.644 0.020 1 1201 307 307 ALA C C 178.097 0.3 1 1202 307 307 ALA CA C 51.653 0.3 1 1203 307 307 ALA CB C 18.418 0.3 1 1204 307 307 ALA N N 133.284 0.3 1 1205 308 308 GLY H H 8.577 0.020 1 1206 308 308 GLY C C 172.650 0.3 1 1207 308 308 GLY CA C 42.853 0.3 1 1208 308 308 GLY N N 110.534 0.3 1 1209 309 309 GLU H H 8.180 0.020 1 1210 309 309 GLU CA C 54.398 0.3 1 1211 309 309 GLU CB C 27.803 0.3 1 1212 309 309 GLU N N 121.223 0.3 1 1213 310 310 PRO C C 176.959 0.3 1 1214 310 310 PRO CA C 62.881 0.3 1 1215 310 310 PRO CB C 31.642 0.3 1 1216 311 311 LEU H H 8.359 0.020 1 1217 311 311 LEU CA C 52.222 0.3 1 1218 311 311 LEU CB C 39.785 0.3 1 1219 311 311 LEU N N 127.156 0.3 1 1220 312 312 PRO C C 177.560 0.3 1 1221 312 312 PRO CA C 62.801 0.3 1 1222 312 312 PRO CB C 30.912 0.3 1 1223 313 313 VAL H H 9.216 0.020 1 1224 313 313 VAL C C 175.158 0.3 1 1225 313 313 VAL CA C 62.285 0.3 1 1226 313 313 VAL CB C 34.859 0.3 1 1227 313 313 VAL N N 127.789 0.3 1 1228 314 314 ASP H H 9.968 0.020 1 1229 314 314 ASP C C 173.579 0.3 1 1230 314 314 ASP CA C 53.517 0.3 1 1231 314 314 ASP CB C 42.469 0.3 1 1232 314 314 ASP N N 131.061 0.3 1 1233 315 315 SER H H 7.378 0.020 1 1234 315 315 SER C C 173.934 0.3 1 1235 315 315 SER CA C 56.559 0.3 1 1236 315 315 SER CB C 63.589 0.3 1 1237 315 315 SER N N 112.213 0.3 1 1238 316 316 GLU H H 8.965 0.020 1 1239 316 316 GLU C C 179.189 0.3 1 1240 316 316 GLU CA C 60.219 0.3 1 1241 316 316 GLU CB C 30.911 0.3 1 1242 316 316 GLU N N 120.216 0.3 1 1243 317 317 GLN H H 8.509 0.020 1 1244 317 317 GLN C C 176.962 0.3 1 1245 317 317 GLN CA C 59.638 0.3 1 1246 317 317 GLN CB C 26.316 0.3 1 1247 317 317 GLN N N 119.717 0.3 1 1248 318 318 ASP H H 7.586 0.020 1 1249 318 318 ASP C C 177.340 0.3 1 1250 318 318 ASP CA C 57.129 0.3 1 1251 318 318 ASP CB C 40.374 0.3 1 1252 318 318 ASP N N 118.941 0.3 1 1253 319 319 ILE H H 7.332 0.020 1 1254 319 319 ILE C C 176.775 0.3 1 1255 319 319 ILE CA C 65.698 0.3 1 1256 319 319 ILE CB C 37.160 0.3 1 1257 319 319 ILE N N 118.144 0.3 1 1258 320 320 PHE H H 7.007 0.020 1 1259 320 320 PHE C C 177.551 0.3 1 1260 320 320 PHE CA C 62.066 0.3 1 1261 320 320 PHE CB C 36.715 0.3 1 1262 320 320 PHE N N 116.510 0.3 1 1263 321 321 ASP H H 8.456 0.020 1 1264 321 321 ASP C C 180.586 0.3 1 1265 321 321 ASP CA C 56.942 0.3 1 1266 321 321 ASP CB C 39.060 0.3 1 1267 321 321 ASP N N 119.483 0.3 1 1268 322 322 TYR H H 7.989 0.020 1 1269 322 322 TYR C C 177.174 0.3 1 1270 322 322 TYR CA C 61.166 0.3 1 1271 322 322 TYR CB C 36.830 0.3 1 1272 322 322 TYR N N 120.901 0.3 1 1273 323 323 ILE H H 6.720 0.020 1 1274 323 323 ILE C C 173.245 0.3 1 1275 323 323 ILE CA C 59.895 0.3 1 1276 323 323 ILE CB C 36.725 0.3 1 1277 323 323 ILE N N 106.600 0.3 1 1278 324 324 GLN H H 7.792 0.020 1 1279 324 324 GLN C C 175.044 0.3 1 1280 324 324 GLN CA C 56.303 0.3 1 1281 324 324 GLN CB C 25.302 0.3 1 1282 324 324 GLN N N 117.809 0.3 1 1283 325 325 TRP H H 8.455 0.020 1 1284 325 325 TRP CA C 52.986 0.3 1 1285 325 325 TRP CB C 33.551 0.3 1 1286 325 325 TRP N N 122.868 0.3 1 1287 326 326 ARG H H 8.182 0.020 1 1288 326 326 ARG C C 175.873 0.3 1 1289 326 326 ARG CA C 55.673 0.3 1 1290 326 326 ARG CB C 29.052 0.3 1 1291 326 326 ARG N N 124.869 0.3 1 1292 327 327 TYR H H 8.642 0.020 1 1293 327 327 TYR CA C 59.877 0.3 1 1294 327 327 TYR CB C 37.180 0.3 1 1295 327 327 TYR N N 126.257 0.3 1 1296 330 330 PRO C C 176.552 0.3 1 1297 330 330 PRO CA C 66.069 0.3 1 1298 330 330 PRO CB C 31.441 0.3 1 1299 331 331 LYS H H 8.148 0.020 1 1300 331 331 LYS C C 176.605 0.3 1 1301 331 331 LYS CA C 57.194 0.3 1 1302 331 331 LYS CB C 30.215 0.3 1 1303 331 331 LYS N N 114.055 0.3 1 1304 332 332 ASP H H 7.834 0.020 1 1305 332 332 ASP C C 175.936 0.3 1 1306 332 332 ASP CA C 53.640 0.3 1 1307 332 332 ASP CB C 40.617 0.3 1 1308 332 332 ASP N N 121.002 0.3 1 1309 333 333 ARG H H 7.139 0.020 1 1310 333 333 ARG C C 174.993 0.3 1 1311 333 333 ARG CA C 55.001 0.3 1 1312 333 333 ARG CB C 28.378 0.3 1 1313 333 333 ARG N N 121.271 0.3 1 1314 334 334 SER H H 7.822 0.020 1 1315 334 334 SER C C 175.447 0.3 1 1316 334 334 SER CA C 60.817 0.3 1 1317 334 334 SER CB C 61.961 0.3 1 1318 334 334 SER N N 116.931 0.3 1 1319 335 335 GLU H H 7.761 0.020 1 1320 335 335 GLU CA C 57.073 0.3 1 1321 335 335 GLU CB C 31.055 0.3 1 1322 335 335 GLU N N 127.799 0.3 1 stop_ save_