data_6416 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N assignments of a 56 kDa E. coli nickel binding protein NikA ; _BMRB_accession_number 6416 _BMRB_flat_file_name bmr6416.str _Entry_type original _Submission_date 2004-12-08 _Accession_date 2004-12-09 _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 Rajesh Sundaresan . . 2 Heddle Jonathan G. . 3 Kurashima-Ito Kaori . . 4 Nietlispach Daniel . . 5 Shirakawa Masahiro . . 6 Tame Jeremy R.H. . 7 Ito Yutaka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 396 "13C chemical shifts" 1275 "15N chemical shifts" 396 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-16 original author . stop_ _Original_release_date 2005-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N resonance assignments of a 56 kDa E. coli nickel binding protein NikA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajesh Sundaresan . . 2 Heddle Jonathan G. . 3 Kurashima-Ito Kaori . . 4 Nietlispach Daniel . . 5 Shirakawa Masahiro . . 6 Tame Jeremy R.H. . 7 Ito Yutaka . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 177 _Year 2005 _Details . loop_ _Keyword Deuteration TROSY 'NMR assignments' nickel NikA stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Heddle J, Scott DJ, Unzai S, Park SY, Tame JR. Crystal structures of the liganded and unliganded nickel-binding protein NikA from Escherichia coli. J Biol Chem. 2003 Dec 12;278(50):50322-9. Epub 2003 Sep 05. ; _Citation_title 'Crystal structures of the liganded and unliganded nickel-binding protein NikA from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12960164 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heddle Jonathan . . 2 Scott 'David J.' J. . 3 Unzai Satoru . . 4 Park Sam-Yong Y. . 5 Tame 'Jeremy R. H.' R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 278 _Journal_issue 50 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 50322 _Page_last 50329 _Year 2003 _Details ; Bacteria have evolved a number of tightly controlled import and export systems to maintain intracellular levels of the essential but potentially toxic metal nickel. Nickel homeostasis systems include the dedicated nickel uptake system nik found in Escherichia coli, a member of the ABC family of transporters, that involves a periplasmic nickel-binding protein, NikA. This is the initial nickel receptor and mediator of the chemotactic response away from nickel. We have solved the crystal structure of NikA protein in the presence and absence of nickel, showing that it behaves as a "classical" periplasmic binding protein. In contrast to other binding proteins, however, the ligand remains accessible to the solvent and is not completely enclosed. No direct bonds are formed between the metal cation and the protein. The nickel binding site is apolar, quite unlike any previously characterized protein nickel binding site. Despite relatively weak binding, NikA is specific for nickel. Using isothermal titration calorimetry, the dissociation constant for nickel was found to be approximately 10 microm and that for cobalt was approximately 20 times higher. ; save_ ################################## # Molecular system description # ################################## save_system_NikA _Saveframe_category molecular_system _Mol_system_name apo-NikA _Abbreviation_common NikA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NikA monomer' $NikA_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Periplasmic nickel binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NikA_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'periplasmic nickel binding protein A' _Abbreviation_common NikA _Molecular_mass 56302 _Mol_thiol_state 'not present' _Details 'Gln-361 in wild-type was found mutated to Arg during PCR.' ############################## # Polymer residue sequence # ############################## _Residue_count 502 _Mol_residue_sequence ; AAPDEITTAWPVNVGPLNPH LYTPNQMFAQSMVYEPLVKY QADGSVIPWLAKSWTHSEDG KTWTFTLRDDVKFSNGEPFD AEAAAENFRAVLDNRQRHAW LELANQIVDVKALSKTELQI TLKSAYYPFLQELALPRPFR FIAPSQFKNHETMNGIKAPI GTGPWILQESKLNQYDVFVR NENYWGEKPAIKKITFNVIP DPTTRAVAFETGDIDLLYGN EGLLPLDTFARFSQNPAYHT QLSQPIETVMLALNTAKAPT NELAVREALNYAVNKKSLID NALYGTQQVADTLFAPSVPY ANLGLKPSQYDPQKAKALLE KAGWTLPAGKDIREKNGQPL RIELSFIGTDALSKSMAEII RADMRQIGADVSLIGEEESS IYARQRDGRFGMIFHRTWGA PYDPHAFLSSMRVPSHADFQ AQQGLADKPLIDKEIGEVLA THDETQRQALYRDILTRLHD EAVYLPISYISMMVVSKPEL GNIPYAPIATEIPFEQIKPV KP ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 PRO 4 ASP 5 GLU 6 ILE 7 THR 8 THR 9 ALA 10 TRP 11 PRO 12 VAL 13 ASN 14 VAL 15 GLY 16 PRO 17 LEU 18 ASN 19 PRO 20 HIS 21 LEU 22 TYR 23 THR 24 PRO 25 ASN 26 GLN 27 MET 28 PHE 29 ALA 30 GLN 31 SER 32 MET 33 VAL 34 TYR 35 GLU 36 PRO 37 LEU 38 VAL 39 LYS 40 TYR 41 GLN 42 ALA 43 ASP 44 GLY 45 SER 46 VAL 47 ILE 48 PRO 49 TRP 50 LEU 51 ALA 52 LYS 53 SER 54 TRP 55 THR 56 HIS 57 SER 58 GLU 59 ASP 60 GLY 61 LYS 62 THR 63 TRP 64 THR 65 PHE 66 THR 67 LEU 68 ARG 69 ASP 70 ASP 71 VAL 72 LYS 73 PHE 74 SER 75 ASN 76 GLY 77 GLU 78 PRO 79 PHE 80 ASP 81 ALA 82 GLU 83 ALA 84 ALA 85 ALA 86 GLU 87 ASN 88 PHE 89 ARG 90 ALA 91 VAL 92 LEU 93 ASP 94 ASN 95 ARG 96 GLN 97 ARG 98 HIS 99 ALA 100 TRP 101 LEU 102 GLU 103 LEU 104 ALA 105 ASN 106 GLN 107 ILE 108 VAL 109 ASP 110 VAL 111 LYS 112 ALA 113 LEU 114 SER 115 LYS 116 THR 117 GLU 118 LEU 119 GLN 120 ILE 121 THR 122 LEU 123 LYS 124 SER 125 ALA 126 TYR 127 TYR 128 PRO 129 PHE 130 LEU 131 GLN 132 GLU 133 LEU 134 ALA 135 LEU 136 PRO 137 ARG 138 PRO 139 PHE 140 ARG 141 PHE 142 ILE 143 ALA 144 PRO 145 SER 146 GLN 147 PHE 148 LYS 149 ASN 150 HIS 151 GLU 152 THR 153 MET 154 ASN 155 GLY 156 ILE 157 LYS 158 ALA 159 PRO 160 ILE 161 GLY 162 THR 163 GLY 164 PRO 165 TRP 166 ILE 167 LEU 168 GLN 169 GLU 170 SER 171 LYS 172 LEU 173 ASN 174 GLN 175 TYR 176 ASP 177 VAL 178 PHE 179 VAL 180 ARG 181 ASN 182 GLU 183 ASN 184 TYR 185 TRP 186 GLY 187 GLU 188 LYS 189 PRO 190 ALA 191 ILE 192 LYS 193 LYS 194 ILE 195 THR 196 PHE 197 ASN 198 VAL 199 ILE 200 PRO 201 ASP 202 PRO 203 THR 204 THR 205 ARG 206 ALA 207 VAL 208 ALA 209 PHE 210 GLU 211 THR 212 GLY 213 ASP 214 ILE 215 ASP 216 LEU 217 LEU 218 TYR 219 GLY 220 ASN 221 GLU 222 GLY 223 LEU 224 LEU 225 PRO 226 LEU 227 ASP 228 THR 229 PHE 230 ALA 231 ARG 232 PHE 233 SER 234 GLN 235 ASN 236 PRO 237 ALA 238 TYR 239 HIS 240 THR 241 GLN 242 LEU 243 SER 244 GLN 245 PRO 246 ILE 247 GLU 248 THR 249 VAL 250 MET 251 LEU 252 ALA 253 LEU 254 ASN 255 THR 256 ALA 257 LYS 258 ALA 259 PRO 260 THR 261 ASN 262 GLU 263 LEU 264 ALA 265 VAL 266 ARG 267 GLU 268 ALA 269 LEU 270 ASN 271 TYR 272 ALA 273 VAL 274 ASN 275 LYS 276 LYS 277 SER 278 LEU 279 ILE 280 ASP 281 ASN 282 ALA 283 LEU 284 TYR 285 GLY 286 THR 287 GLN 288 GLN 289 VAL 290 ALA 291 ASP 292 THR 293 LEU 294 PHE 295 ALA 296 PRO 297 SER 298 VAL 299 PRO 300 TYR 301 ALA 302 ASN 303 LEU 304 GLY 305 LEU 306 LYS 307 PRO 308 SER 309 GLN 310 TYR 311 ASP 312 PRO 313 GLN 314 LYS 315 ALA 316 LYS 317 ALA 318 LEU 319 LEU 320 GLU 321 LYS 322 ALA 323 GLY 324 TRP 325 THR 326 LEU 327 PRO 328 ALA 329 GLY 330 LYS 331 ASP 332 ILE 333 ARG 334 GLU 335 LYS 336 ASN 337 GLY 338 GLN 339 PRO 340 LEU 341 ARG 342 ILE 343 GLU 344 LEU 345 SER 346 PHE 347 ILE 348 GLY 349 THR 350 ASP 351 ALA 352 LEU 353 SER 354 LYS 355 SER 356 MET 357 ALA 358 GLU 359 ILE 360 ILE 361 ARG 362 ALA 363 ASP 364 MET 365 ARG 366 GLN 367 ILE 368 GLY 369 ALA 370 ASP 371 VAL 372 SER 373 LEU 374 ILE 375 GLY 376 GLU 377 GLU 378 GLU 379 SER 380 SER 381 ILE 382 TYR 383 ALA 384 ARG 385 GLN 386 ARG 387 ASP 388 GLY 389 ARG 390 PHE 391 GLY 392 MET 393 ILE 394 PHE 395 HIS 396 ARG 397 THR 398 TRP 399 GLY 400 ALA 401 PRO 402 TYR 403 ASP 404 PRO 405 HIS 406 ALA 407 PHE 408 LEU 409 SER 410 SER 411 MET 412 ARG 413 VAL 414 PRO 415 SER 416 HIS 417 ALA 418 ASP 419 PHE 420 GLN 421 ALA 422 GLN 423 GLN 424 GLY 425 LEU 426 ALA 427 ASP 428 LYS 429 PRO 430 LEU 431 ILE 432 ASP 433 LYS 434 GLU 435 ILE 436 GLY 437 GLU 438 VAL 439 LEU 440 ALA 441 THR 442 HIS 443 ASP 444 GLU 445 THR 446 GLN 447 ARG 448 GLN 449 ALA 450 LEU 451 TYR 452 ARG 453 ASP 454 ILE 455 LEU 456 THR 457 ARG 458 LEU 459 HIS 460 ASP 461 GLU 462 ALA 463 VAL 464 TYR 465 LEU 466 PRO 467 ILE 468 SER 469 TYR 470 ILE 471 SER 472 MET 473 MET 474 VAL 475 VAL 476 SER 477 LYS 478 PRO 479 GLU 480 LEU 481 GLY 482 ASN 483 ILE 484 PRO 485 TYR 486 ALA 487 PRO 488 ILE 489 ALA 490 THR 491 GLU 492 ILE 493 PRO 494 PHE 495 GLU 496 GLN 497 ILE 498 LYS 499 PRO 500 VAL 501 LYS 502 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UIU "Crystal Structures Of The Liganded And Unliganded Nickel Binding Protein Nika From Escherichia Coli (Nickel Unliganded Form)" 100.00 502 100.00 100.00 0.00e+00 PDB 1UIV "Crystal Structures Of The Liganded And Unliganded Nickel Binding Protein Nika From Escherichia Coli (Nickel Liganded Form)" 100.00 502 100.00 100.00 0.00e+00 PDB 1ZLQ "Crystallographic And Spectroscopic Evidence For High Affinity Binding Of Fe Edta (h2o)- To The Periplasmic Nickel Transporter N" 100.00 502 99.80 100.00 0.00e+00 PDB 2NOO "Crystal Structure Of Mutant Nika" 100.00 502 98.21 98.41 0.00e+00 PDB 3DP8 "Structural Characterization Of A Putative Endogenous Metal Chelator In The Periplasmic Nickel Transporter Nika (Nickel Butane-1" 100.00 502 99.80 100.00 0.00e+00 PDB 3E3K "Structural Characterization Of A Putative Endogenous Metal Chelator In The Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tr" 100.00 502 99.80 100.00 0.00e+00 PDB 3MVW 'X-Ray Structure Of A "nika+iron Complex" Hybrid, Nika1' 100.00 502 99.80 100.00 0.00e+00 PDB 3MVX "X-Ray Structure Of The Reduced Nika1 HYBRID, NIKA1-Red" 100.00 502 99.80 100.00 0.00e+00 PDB 3MVY "X-Ray Structure Of The Diatomic Oxo-Intermediate Nika1-Int', Prior Hydroxylation" 100.00 502 99.80 100.00 0.00e+00 PDB 3MVZ 'X-Ray Structure Of The (Hydro)peroxo Intermediate Nika1-Int", After Monohydroxylation Of The Iron Complex' 100.00 502 99.80 100.00 0.00e+00 PDB 3MW0 "X-Ray Structure Of The Doubly Hydroxylated Iron Complex-Nika Species, Nika1O2" 100.00 502 99.80 100.00 0.00e+00 PDB 3MZ9 "X-Ray Structure Of Nika In Complex With Hbed" 100.00 502 99.80 100.00 0.00e+00 PDB 3MZB "X-Ray Structure Of Nika In Complex With The Doubly Hydroxylated Iron Complex, 1-O2" 99.80 501 99.80 100.00 0.00e+00 PDB 3QIM "Histidine 416 Of The Periplamsic Binding Protein Nika Is Essential For Nickel Uptake In Escherichia Coli" 100.00 502 99.60 99.80 0.00e+00 PDB 4DCX "X-Ray Structure Of Nika In Complex With Fe(1r,2r)-N,N'-Bis(2- Pyridylmethyl)-N,N'-Dicarboxymethyl-1,2-Cyclohexanediamine" 100.00 502 99.80 100.00 0.00e+00 PDB 4DCY "X-Ray Structure Of Nika In Complex With Fe(1s,2s)-N,N-Kappa-Bis(2- Pyridylmethyl)-N-Carboxymethyl-N-Kappa-Methyl-1,2-Cyclohexan" 100.00 502 99.80 100.00 0.00e+00 PDB 4I8C "X-ray Structure Of Nika In Complex With Ni-(l-his)2" 100.00 502 99.80 100.00 0.00e+00 PDB 4I9D "X-ray Structure Of Nika In Complex With Fe-n,n'-bis(2-pyridylmethyl)- N-carboxymethyl-n'-methyl" 100.00 502 99.80 100.00 0.00e+00 DBJ BAB37766 "periplasmic binding protein for nickel [Escherichia coli O157:H7 str. Sakai]" 100.00 524 99.00 99.40 0.00e+00 DBJ BAE77817 "nickel transporter subunit [Escherichia coli str. K-12 substr. W3110]" 100.00 524 99.80 100.00 0.00e+00 DBJ BAG79268 "nickel ABC transporter substrate binding component [Escherichia coli SE11]" 100.00 524 99.40 99.60 0.00e+00 DBJ BAI27733 "periplasmic binding protein for nickel NikA [Escherichia coli O26:H11 str. 11368]" 100.00 524 99.60 99.80 0.00e+00 DBJ BAI32904 "periplasmic binding protein for nickel NikA [Escherichia coli O103:H2 str. 12009]" 100.00 524 99.60 99.80 0.00e+00 EMBL CAA51659 "NikA [Escherichia coli K-12]" 100.00 524 99.80 100.00 0.00e+00 EMBL CAP77927 "Nickel-binding periplasmic protein [Escherichia coli LF82]" 100.00 524 99.20 99.60 0.00e+00 EMBL CAQ33795 "nikA, subunit of nickel ABC transporter [Escherichia coli BL21(DE3)]" 100.00 524 99.40 99.60 0.00e+00 EMBL CAR00421 "nickel transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli IAI1]" 100.00 524 99.40 99.60 0.00e+00 EMBL CAR05091 "nickel transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli S88]" 100.00 524 99.20 99.60 0.00e+00 GB AAB18451 "nikA [Escherichia coli str. K-12 substr. MG1655]" 100.00 524 99.80 100.00 0.00e+00 GB AAC76501 "nickel/heme ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 524 99.80 100.00 0.00e+00 GB AAG58603 "periplasmic binding protein for nickel [Escherichia coli O157:H7 str. EDL933]" 100.00 524 98.80 99.20 0.00e+00 GB AAN44953 "periplasmic binding protein for nickel [Shigella flexneri 2a str. 301]" 100.00 524 99.20 99.60 0.00e+00 GB AAN82705 "Nickel-binding periplasmic protein precursor [Escherichia coli CFT073]" 100.00 524 99.20 99.60 0.00e+00 REF NP_290042 "periplasmic binding protein for nickel [Escherichia coli O157:H7 str. EDL933]" 100.00 524 98.80 99.20 0.00e+00 REF NP_312370 "periplasmic binding protein for nickel [Escherichia coli O157:H7 str. Sakai]" 100.00 524 99.00 99.40 0.00e+00 REF NP_417933 "nickel/heme ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 524 99.80 100.00 0.00e+00 REF NP_709246 "nickel ABC transporter substrate-binding protein [Shigella flexneri 2a str. 301]" 100.00 524 99.20 99.60 0.00e+00 REF NP_756131 "nickel-binding periplasmic protein [Escherichia coli CFT073]" 100.00 524 99.20 99.60 0.00e+00 SP P33590 "RecName: Full=Nickel-binding periplasmic protein; Flags: Precursor [Escherichia coli K-12]" 100.00 524 99.80 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction _Gene_mnemonic $NikA_monomer 'E. coli' 562 Eubacteria . Escherichia coli periplasm nikA 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 $NikA_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NikA_monomer . mM 1.5 2.0 '[U-99% 2H; U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_Azara _Saveframe_category software _Name Azara _Version 2.7 loop_ _Task Processing stop_ _Details . save_ save_Ansig_for_OpenGL _Saveframe_category software _Name 'Ansig for OpenGL' _Version 1.0.3 loop_ _Task Analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_Six_Trosy-based_experiments:_HNCA,_HN(CO)CA,_HN(CA)CB,_HN(COCA)CB,_HN(CA)CO,_and_HNCO._1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Six Trosy-based experiments: HNCA, HN(CO)CA, HN(CA)CB, HN(COCA)CB, HN(CA)CO, and HNCO.' _Sample_label $sample_1 save_ save_Also_a_3D_15N-HMQC-NOE_{15N,1H}_TROSY_spectra_was_recorded_to_confirm_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Also a 3D 15N-HMQC-NOE {15N,1H} TROSY spectra was recorded to confirm' _Sample_label $sample_1 save_ save_sequential_assignments._3 _Saveframe_category NMR_applied_experiment _Experiment_name 'sequential assignments.' _Sample_label $sample_1 save_ save_A_MQ-HN(CA)CO_experiment_was_recorded_due_to_the_low_sensitivity_of_SQ-HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'A MQ-HN(CA)CO experiment was recorded due to the low sensitivity of SQ-HN(CA)CO' _Sample_label $sample_1 save_ save_experiment._5 _Saveframe_category NMR_applied_experiment _Experiment_name experiment. _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_3 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_4 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_5 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 pH temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'Six Trosy-based experiments: HNCA, HN(CO)CA, HN(CA)CB, HN(COCA)CB, HN(CA)CO, and HNCO.' 'Also a 3D 15N-HMQC-NOE {15N,1H} TROSY spectra was recorded to confirm' 'sequential assignments.' 'A MQ-HN(CA)CO experiment was recorded due to the low sensitivity of SQ-HN(CA)CO' experiment. stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NikA monomer' _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 ALA C C 174.32 . . 2 . 1 ALA CA C 53.96 . . 3 . 2 ALA H H 6.85 . . 4 . 2 ALA N N 122.12 . . 5 . 2 ALA C C 176.62 . . 6 . 2 ALA CA C 53.98 . . 7 . 2 ALA CB C 17.89 . . 8 . 3 PRO C C 176.13 . . 9 . 3 PRO CA C 63.35 . . 10 . 3 PRO CB C 31.01 . . 11 . 4 ASP H H 8.09 . . 12 . 4 ASP N N 117.17 . . 13 . 4 ASP C C 174.29 . . 14 . 4 ASP CA C 52.48 . . 15 . 4 ASP CB C 39.60 . . 16 . 5 GLU H H 7.46 . . 17 . 5 GLU N N 120.30 . . 18 . 5 GLU C C 175.35 . . 19 . 5 GLU CA C 54.13 . . 20 . 5 GLU CB C 31.35 . . 21 . 6 ILE H H 8.11 . . 22 . 6 ILE N N 117.85 . . 23 . 6 ILE C C 175.56 . . 24 . 6 ILE CA C 58.64 . . 25 . 6 ILE CB C 42.08 . . 26 . 7 THR H H 9.47 . . 27 . 7 THR N N 124.63 . . 28 . 7 THR C C 173.35 . . 29 . 7 THR CA C 60.93 . . 30 . 7 THR CB C 69.40 . . 31 . 8 THR H H 9.22 . . 32 . 8 THR N N 125.75 . . 33 . 8 THR C C 171.61 . . 34 . 8 THR CA C 58.07 . . 35 . 8 THR CB C 69.53 . . 36 . 9 ALA H H 8.74 . . 37 . 9 ALA N N 125.05 . . 38 . 9 ALA C C 174.41 . . 39 . 9 ALA CA C 49.99 . . 40 . 9 ALA CB C 23.44 . . 41 . 10 TRP H H 8.68 . . 42 . 10 TRP N N 122.44 . . 43 . 10 TRP C C 174.78 . . 44 . 10 TRP CA C 54.27 . . 45 . 10 TRP CB C 33.99 . . 46 . 11 PRO C C 174.47 . . 47 . 11 PRO CA C 63.99 . . 48 . 11 PRO CB C 32.00 . . 49 . 12 VAL H H 6.95 . . 50 . 12 VAL N N 108.53 . . 51 . 12 VAL C C 174.57 . . 52 . 12 VAL CA C 58.16 . . 53 . 12 VAL CB C 36.27 . . 54 . 13 ASN H H 8.11 . . 55 . 13 ASN N N 117.50 . . 56 . 13 ASN C C 176.71 . . 57 . 13 ASN CA C 54.35 . . 58 . 13 ASN CB C 40.38 . . 59 . 14 VAL H H 8.99 . . 60 . 14 VAL N N 114.41 . . 61 . 14 VAL C C 175.14 . . 62 . 14 VAL CA C 64.30 . . 63 . 14 VAL CB C 30.49 . . 64 . 15 GLY H H 7.16 . . 65 . 15 GLY N N 108.30 . . 66 . 15 GLY C C 171.73 . . 67 . 15 GLY CA C 43.17 . . 68 . 17 LEU H H 7.69 . . 69 . 17 LEU N N 112.61 . . 70 . 17 LEU C C 175.19 . . 71 . 17 LEU CA C 54.47 . . 72 . 17 LEU CB C 37.19 . . 73 . 18 ASN H H 7.27 . . 74 . 18 ASN N N 122.94 . . 75 . 18 ASN C C 175.31 . . 76 . 18 ASN CA C 49.80 . . 77 . 18 ASN CB C 38.78 . . 78 . 19 PRO C C 175.12 . . 79 . 19 PRO CA C 63.45 . . 80 . 19 PRO CB C 29.62 . . 81 . 20 HIS H H 7.49 . . 82 . 20 HIS N N 117.25 . . 83 . 20 HIS C C 174.86 . . 84 . 20 HIS CA C 52.41 . . 85 . 20 HIS CB C 32.20 . . 86 . 21 LEU H H 6.32 . . 87 . 21 LEU N N 121.01 . . 88 . 21 LEU C C 173.60 . . 89 . 21 LEU CA C 51.55 . . 90 . 21 LEU CB C 44.52 . . 91 . 22 TYR H H 7.45 . . 92 . 22 TYR N N 119.80 . . 93 . 22 TYR C C 176.19 . . 94 . 22 TYR CA C 56.09 . . 95 . 22 TYR CB C 36.49 . . 96 . 25 ASN C C 174.56 . . 97 . 25 ASN CA C 53.95 . . 98 . 25 ASN CB C 36.44 . . 99 . 26 GLN H H 8.67 . . 100 . 26 GLN N N 109.90 . . 101 . 26 GLN C C 173.47 . . 102 . 26 GLN CA C 57.83 . . 103 . 26 GLN CB C 27.26 . . 104 . 27 MET H H 7.70 . . 105 . 27 MET N N 120.56 . . 106 . 27 MET C C 174.49 . . 107 . 27 MET CA C 53.82 . . 108 . 27 MET CB C 32.81 . . 109 . 29 ALA C C 179.84 . . 110 . 29 ALA CA C 51.99 . . 111 . 30 GLN H H 7.40 . . 112 . 30 GLN N N 121.83 . . 113 . 30 GLN C C 177.91 . . 114 . 30 GLN CA C 59.80 . . 115 . 30 GLN CB C 27.19 . . 116 . 31 SER H H 7.85 . . 117 . 31 SER N N 114.20 . . 118 . 31 SER C C 174.80 . . 119 . 31 SER CA C 61.41 . . 120 . 31 SER CB C 62.50 . . 121 . 32 MET H H 7.09 . . 122 . 32 MET N N 122.69 . . 123 . 32 MET C C 175.13 . . 124 . 32 MET CA C 58.40 . . 125 . 32 MET CB C 33.84 . . 126 . 33 VAL H H 6.47 . . 127 . 33 VAL N N 118.26 . . 128 . 33 VAL C C 175.65 . . 129 . 33 VAL CA C 62.61 . . 130 . 33 VAL CB C 34.31 . . 131 . 34 TYR H H 8.26 . . 132 . 34 TYR N N 119.96 . . 133 . 34 TYR C C 176.73 . . 134 . 34 TYR CA C 55.37 . . 135 . 34 TYR CB C 39.79 . . 136 . 35 GLU H H 9.59 . . 137 . 35 GLU N N 121.84 . . 138 . 35 GLU C C 172.14 . . 139 . 35 GLU CA C 53.11 . . 140 . 35 GLU CB C 33.24 . . 141 . 36 PRO C C 177.27 . . 142 . 36 PRO CA C 60.42 . . 143 . 36 PRO CB C 34.75 . . 144 . 37 LEU H H 9.97 . . 145 . 37 LEU N N 118.20 . . 146 . 37 LEU C C 176.69 . . 147 . 37 LEU CA C 57.77 . . 148 . 37 LEU CB C 42.01 . . 149 . 38 VAL H H 6.75 . . 150 . 38 VAL N N 107.94 . . 151 . 38 VAL C C 172.16 . . 152 . 38 VAL CA C 57.63 . . 153 . 38 VAL CB C 33.69 . . 154 . 39 LYS H H 8.59 . . 155 . 39 LYS N N 120.41 . . 156 . 39 LYS C C 176.38 . . 157 . 39 LYS CA C 53.57 . . 158 . 39 LYS CB C 35.32 . . 159 . 40 TYR H H 8.74 . . 160 . 40 TYR N N 128.08 . . 161 . 40 TYR C C 174.18 . . 162 . 40 TYR CA C 58.83 . . 163 . 40 TYR CB C 38.82 . . 164 . 41 GLN H H 7.81 . . 165 . 41 GLN N N 127.70 . . 166 . 41 GLN C C 174.61 . . 167 . 41 GLN CA C 53.05 . . 168 . 41 GLN CB C 31.14 . . 169 . 42 ALA H H 8.31 . . 170 . 42 ALA N N 121.76 . . 171 . 42 ALA C C 178.01 . . 172 . 42 ALA CA C 53.91 . . 173 . 42 ALA CB C 17.66 . . 174 . 43 ASP H H 7.52 . . 175 . 43 ASP N N 117.40 . . 176 . 43 ASP C C 176.84 . . 177 . 43 ASP CA C 52.94 . . 178 . 43 ASP CB C 38.70 . . 179 . 44 GLY H H 8.08 . . 180 . 44 GLY N N 111.90 . . 181 . 44 GLY C C 173.71 . . 182 . 44 GLY CA C 44.25 . . 183 . 45 SER H H 7.59 . . 184 . 45 SER N N 119.18 . . 185 . 45 SER C C 171.74 . . 186 . 45 SER CA C 57.26 . . 187 . 45 SER CB C 64.35 . . 188 . 46 VAL H H 7.59 . . 189 . 46 VAL N N 109.26 . . 190 . 46 VAL C C 176.26 . . 191 . 46 VAL CA C 58.20 . . 192 . 46 VAL CB C 33.91 . . 193 . 47 ILE H H 8.82 . . 194 . 47 ILE N N 117.64 . . 195 . 47 ILE C C 173.65 . . 196 . 47 ILE CA C 57.63 . . 197 . 47 ILE CB C 38.17 . . 198 . 48 PRO C C 175.58 . . 199 . 48 PRO CA C 64.15 . . 200 . 48 PRO CB C 32.45 . . 201 . 49 TRP H H 8.30 . . 202 . 49 TRP N N 129.55 . . 203 . 49 TRP C C 173.37 . . 204 . 49 TRP CA C 57.96 . . 205 . 49 TRP CB C 29.00 . . 206 . 50 LEU H H 7.57 . . 207 . 50 LEU N N 122.82 . . 208 . 50 LEU C C 177.62 . . 209 . 50 LEU CA C 57.42 . . 210 . 50 LEU CB C 40.26 . . 211 . 51 ALA H H 9.35 . . 212 . 51 ALA N N 119.88 . . 213 . 51 ALA C C 175.22 . . 214 . 51 ALA CA C 50.63 . . 215 . 51 ALA CB C 19.98 . . 216 . 52 LYS H H 8.94 . . 217 . 52 LYS N N 122.33 . . 218 . 52 LYS C C 176.66 . . 219 . 52 LYS CA C 57.09 . . 220 . 52 LYS CB C 33.06 . . 221 . 53 SER H H 8.05 . . 222 . 53 SER N N 111.71 . . 223 . 53 SER C C 172.39 . . 224 . 53 SER CA C 57.33 . . 225 . 53 SER CB C 63.24 . . 226 . 54 TRP H H 7.61 . . 227 . 54 TRP N N 118.98 . . 228 . 54 TRP C C 174.10 . . 229 . 54 TRP CA C 55.87 . . 230 . 54 TRP CB C 30.11 . . 231 . 55 THR H H 8.34 . . 232 . 55 THR N N 113.17 . . 233 . 55 THR C C 172.05 . . 234 . 55 THR CA C 58.88 . . 235 . 55 THR CB C 70.73 . . 236 . 56 HIS H H 7.66 . . 237 . 56 HIS N N 117.55 . . 238 . 56 HIS C C 174.59 . . 239 . 56 HIS CA C 52.35 . . 240 . 56 HIS CB C 29.38 . . 241 . 57 SER H H 8.48 . . 242 . 57 SER N N 117.84 . . 243 . 57 SER C C 177.46 . . 244 . 57 SER CA C 57.15 . . 245 . 57 SER CB C 63.40 . . 246 . 59 ASP C C 176.92 . . 247 . 59 ASP CA C 52.87 . . 248 . 60 GLY H H 7.88 . . 249 . 60 GLY N N 108.77 . . 250 . 60 GLY C C 174.91 . . 251 . 60 GLY CA C 45.13 . . 252 . 61 LYS H H 7.76 . . 253 . 61 LYS N N 119.61 . . 254 . 61 LYS C C 175.73 . . 255 . 61 LYS CA C 57.84 . . 256 . 61 LYS CB C 32.00 . . 257 . 62 THR H H 7.75 . . 258 . 62 THR N N 117.39 . . 259 . 62 THR C C 173.89 . . 260 . 62 THR CA C 62.45 . . 261 . 62 THR CB C 68.58 . . 262 . 63 TRP H H 9.54 . . 263 . 63 TRP N N 134.89 . . 264 . 63 TRP C C 174.85 . . 265 . 63 TRP CA C 55.98 . . 266 . 63 TRP CB C 30.82 . . 267 . 64 THR H H 8.74 . . 268 . 64 THR N N 120.78 . . 269 . 64 THR C C 174.59 . . 270 . 64 THR CA C 61.41 . . 271 . 64 THR CB C 68.59 . . 272 . 65 PHE H H 10.05 . . 273 . 65 PHE N N 130.64 . . 274 . 65 PHE C C 175.15 . . 275 . 65 PHE CA C 56.92 . . 276 . 65 PHE CB C 40.49 . . 277 . 66 THR H H 9.07 . . 278 . 66 THR N N 123.39 . . 279 . 66 THR C C 174.55 . . 280 . 66 THR CA C 62.02 . . 281 . 66 THR CB C 68.21 . . 282 . 67 LEU H H 9.61 . . 283 . 67 LEU N N 130.37 . . 284 . 67 LEU C C 176.54 . . 285 . 67 LEU CA C 53.75 . . 286 . 67 LEU CB C 41.11 . . 287 . 68 ARG H H 8.07 . . 288 . 68 ARG N N 119.48 . . 289 . 68 ARG C C 177.02 . . 290 . 68 ARG CA C 57.80 . . 291 . 68 ARG CB C 31.65 . . 292 . 69 ASP H H 8.08 . . 293 . 69 ASP N N 121.10 . . 294 . 69 ASP C C 176.70 . . 295 . 69 ASP CA C 52.83 . . 296 . 69 ASP CB C 40.77 . . 297 . 70 ASP H H 8.45 . . 298 . 70 ASP N N 121.15 . . 299 . 70 ASP C C 175.16 . . 300 . 70 ASP CA C 52.46 . . 301 . 70 ASP CB C 39.61 . . 302 . 71 VAL H H 8.55 . . 303 . 71 VAL N N 124.76 . . 304 . 71 VAL C C 175.62 . . 305 . 71 VAL CA C 62.36 . . 306 . 71 VAL CB C 30.68 . . 307 . 72 LYS H H 8.69 . . 308 . 72 LYS N N 129.09 . . 309 . 72 LYS C C 178.66 . . 310 . 72 LYS CA C 53.60 . . 311 . 72 LYS CB C 33.63 . . 312 . 73 PHE H H 9.32 . . 313 . 73 PHE N N 121.94 . . 314 . 73 PHE C C 179.10 . . 315 . 73 PHE CA C 59.14 . . 316 . 73 PHE CB C 39.11 . . 317 . 74 SER H H 9.04 . . 318 . 74 SER N N 119.36 . . 319 . 74 SER C C 173.96 . . 320 . 75 ASN H H 7.33 . . 321 . 75 ASN N N 120.27 . . 322 . 75 ASN C C 176.24 . . 323 . 75 ASN CA C 52.08 . . 324 . 75 ASN CB C 37.35 . . 325 . 76 GLY H H 8.47 . . 326 . 76 GLY N N 111.85 . . 327 . 76 GLY C C 174.05 . . 328 . 76 GLY CA C 44.48 . . 329 . 77 GLU H H 7.46 . . 330 . 77 GLU N N 124.53 . . 331 . 77 GLU CA C 54.56 . . 332 . 77 GLU CB C 28.32 . . 333 . 78 PRO C C 176.14 . . 334 . 78 PRO CA C 63.60 . . 335 . 78 PRO CB C 31.43 . . 336 . 79 PHE H H 7.87 . . 337 . 79 PHE N N 122.39 . . 338 . 79 PHE C C 172.62 . . 339 . 79 PHE CA C 57.82 . . 340 . 79 PHE CB C 37.50 . . 341 . 80 ASP H H 6.16 . . 342 . 80 ASP N N 126.52 . . 343 . 80 ASP C C 174.91 . . 344 . 80 ASP CA C 51.50 . . 345 . 80 ASP CB C 41.18 . . 346 . 81 ALA H H 8.33 . . 347 . 81 ALA N N 120.17 . . 348 . 81 ALA C C 179.29 . . 349 . 81 ALA CA C 54.78 . . 350 . 81 ALA CB C 17.46 . . 351 . 82 GLU H H 8.02 . . 352 . 82 GLU N N 121.68 . . 353 . 82 GLU C C 178.88 . . 354 . 82 GLU CA C 58.89 . . 355 . 82 GLU CB C 27.64 . . 356 . 83 ALA H H 8.25 . . 357 . 83 ALA N N 124.83 . . 358 . 83 ALA C C 181.75 . . 359 . 83 ALA CA C 54.36 . . 360 . 83 ALA CB C 16.71 . . 361 . 84 ALA H H 8.17 . . 362 . 84 ALA N N 123.16 . . 363 . 84 ALA C C 179.43 . . 364 . 84 ALA CA C 54.80 . . 365 . 84 ALA CB C 17.29 . . 366 . 85 ALA H H 8.98 . . 367 . 85 ALA N N 125.01 . . 368 . 85 ALA C C 180.13 . . 369 . 85 ALA CA C 55.90 . . 370 . 85 ALA CB C 16.52 . . 371 . 86 GLU H H 8.50 . . 372 . 86 GLU N N 121.01 . . 373 . 86 GLU C C 179.33 . . 374 . 86 GLU CA C 58.40 . . 375 . 86 GLU CB C 29.30 . . 376 . 87 ASN H H 7.87 . . 377 . 87 ASN N N 120.08 . . 378 . 87 ASN C C 176.34 . . 379 . 87 ASN CA C 57.83 . . 380 . 87 ASN CB C 41.52 . . 381 . 88 PHE H H 8.27 . . 382 . 88 PHE N N 117.98 . . 383 . 88 PHE C C 177.55 . . 384 . 88 PHE CA C 63.51 . . 385 . 88 PHE CB C 39.00 . . 386 . 89 ARG H H 8.45 . . 387 . 89 ARG N N 121.87 . . 388 . 89 ARG C C 177.91 . . 389 . 89 ARG CA C 59.32 . . 390 . 89 ARG CB C 27.44 . . 391 . 90 ALA H H 8.03 . . 392 . 90 ALA N N 122.95 . . 393 . 90 ALA C C 182.52 . . 394 . 90 ALA CA C 54.71 . . 395 . 90 ALA CB C 17.35 . . 396 . 91 VAL H H 7.74 . . 397 . 91 VAL N N 123.42 . . 398 . 91 VAL C C 178.24 . . 399 . 91 VAL CA C 66.58 . . 400 . 91 VAL CB C 30.88 . . 401 . 92 LEU H H 8.40 . . 402 . 92 LEU N N 121.32 . . 403 . 92 LEU C C 180.01 . . 404 . 92 LEU CA C 56.73 . . 405 . 92 LEU CB C 38.86 . . 406 . 93 ASP H H 8.52 . . 407 . 93 ASP N N 124.91 . . 408 . 93 ASP C C 175.61 . . 409 . 93 ASP CA C 55.80 . . 410 . 93 ASP CB C 38.81 . . 411 . 94 ASN H H 7.74 . . 412 . 94 ASN N N 121.75 . . 413 . 94 ASN C C 176.58 . . 414 . 94 ASN CA C 49.65 . . 415 . 94 ASN CB C 39.56 . . 416 . 95 ARG H H 7.01 . . 417 . 95 ARG N N 120.14 . . 418 . 95 ARG C C 177.79 . . 419 . 95 ARG CA C 60.72 . . 420 . 95 ARG CB C 29.74 . . 421 . 103 LEU C C 178.40 . . 422 . 103 LEU CA C 57.85 . . 423 . 103 LEU CB C 41.23 . . 424 . 104 ALA H H 7.36 . . 425 . 104 ALA N N 117.36 . . 426 . 104 ALA C C 177.45 . . 427 . 104 ALA CA C 54.46 . . 428 . 104 ALA CB C 17.30 . . 429 . 105 ASN H H 7.15 . . 430 . 105 ASN N N 114.66 . . 431 . 105 ASN CA C 53.56 . . 432 . 105 ASN CB C 38.37 . . 433 . 106 GLN H H 7.45 . . 434 . 106 GLN N N 118.87 . . 435 . 106 GLN C C 176.86 . . 436 . 106 GLN CA C 55.92 . . 437 . 106 GLN CB C 29.14 . . 438 . 107 ILE H H 6.83 . . 439 . 107 ILE N N 118.93 . . 440 . 107 ILE C C 175.80 . . 441 . 107 ILE CA C 63.74 . . 442 . 107 ILE CB C 37.34 . . 443 . 108 VAL H H 9.12 . . 444 . 108 VAL N N 129.43 . . 445 . 108 VAL C C 175.64 . . 446 . 108 VAL CA C 62.11 . . 447 . 108 VAL CB C 31.91 . . 448 . 109 ASP H H 7.43 . . 449 . 109 ASP N N 120.35 . . 450 . 109 ASP C C 173.41 . . 451 . 109 ASP CA C 53.57 . . 452 . 109 ASP CB C 44.00 . . 453 . 110 VAL H H 8.04 . . 454 . 110 VAL N N 123.87 . . 455 . 110 VAL C C 174.22 . . 456 . 110 VAL CA C 60.92 . . 457 . 110 VAL CB C 33.26 . . 458 . 111 LYS H H 8.95 . . 459 . 111 LYS N N 126.73 . . 460 . 111 LYS C C 174.55 . . 461 . 111 LYS CA C 54.26 . . 462 . 111 LYS CB C 35.66 . . 463 . 112 ALA H H 9.08 . . 464 . 112 ALA N N 129.59 . . 465 . 112 ALA C C 176.79 . . 466 . 112 ALA CA C 50.73 . . 467 . 112 ALA CB C 16.53 . . 468 . 113 LEU H H 8.45 . . 469 . 113 LEU N N 127.74 . . 470 . 113 LEU C C 176.68 . . 471 . 113 LEU CA C 55.22 . . 472 . 113 LEU CB C 41.15 . . 473 . 114 SER H H 8.16 . . 474 . 114 SER N N 114.46 . . 475 . 114 SER C C 173.65 . . 476 . 114 SER CA C 56.15 . . 477 . 114 SER CB C 63.06 . . 478 . 115 LYS C C 178.48 . . 479 . 115 LYS CA C 58.84 . . 480 . 116 THR H H 7.93 . . 481 . 116 THR N N 108.13 . . 482 . 116 THR C C 173.80 . . 483 . 116 THR CA C 60.48 . . 484 . 116 THR CB C 69.54 . . 485 . 117 GLU H H 7.13 . . 486 . 117 GLU N N 124.12 . . 487 . 117 GLU C C 173.81 . . 488 . 117 GLU CA C 55.21 . . 489 . 117 GLU CB C 32.40 . . 490 . 118 LEU H H 9.13 . . 491 . 118 LEU N N 128.99 . . 492 . 118 LEU C C 173.54 . . 493 . 118 LEU CA C 52.44 . . 494 . 118 LEU CB C 46.81 . . 495 . 119 GLN H H 9.68 . . 496 . 119 GLN N N 133.40 . . 497 . 119 GLN C C 174.81 . . 498 . 119 GLN CA C 54.04 . . 499 . 119 GLN CB C 32.99 . . 500 . 120 ILE H H 9.75 . . 501 . 120 ILE N N 133.52 . . 502 . 120 ILE C C 173.97 . . 503 . 120 ILE CA C 60.65 . . 504 . 120 ILE CB C 40.51 . . 505 . 121 THR H H 8.71 . . 506 . 121 THR N N 124.81 . . 507 . 121 THR C C 173.60 . . 508 . 121 THR CA C 60.70 . . 509 . 121 THR CB C 69.88 . . 510 . 122 LEU H H 9.39 . . 511 . 122 LEU N N 128.66 . . 512 . 122 LEU C C 177.93 . . 513 . 122 LEU CA C 52.35 . . 514 . 122 LEU CB C 44.75 . . 515 . 123 LYS H H 8.78 . . 516 . 123 LYS N N 121.39 . . 517 . 123 LYS C C 176.21 . . 518 . 123 LYS CA C 57.58 . . 519 . 123 LYS CB C 31.94 . . 520 . 124 SER H H 7.81 . . 521 . 124 SER N N 114.40 . . 522 . 124 SER C C 171.03 . . 523 . 124 SER CA C 56.00 . . 524 . 124 SER CB C 65.30 . . 525 . 125 ALA H H 8.24 . . 526 . 125 ALA N N 124.11 . . 527 . 125 ALA C C 176.68 . . 528 . 125 ALA CA C 51.70 . . 529 . 125 ALA CB C 16.51 . . 530 . 126 TYR H H 8.00 . . 531 . 126 TYR N N 128.10 . . 532 . 126 TYR C C 174.60 . . 533 . 126 TYR CA C 56.87 . . 534 . 126 TYR CB C 38.16 . . 535 . 127 TYR H H 8.60 . . 536 . 127 TYR N N 136.59 . . 537 . 127 TYR C C 174.65 . . 538 . 127 TYR CA C 60.55 . . 539 . 127 TYR CB C 35.50 . . 540 . 132 GLU C C 179.00 . . 541 . 132 GLU CA C 58.45 . . 542 . 133 LEU H H 7.36 . . 543 . 133 LEU N N 122.04 . . 544 . 133 LEU C C 178.05 . . 545 . 133 LEU CA C 56.22 . . 546 . 133 LEU CB C 41.09 . . 547 . 134 ALA H H 6.76 . . 548 . 134 ALA N N 119.74 . . 549 . 134 ALA C C 178.37 . . 550 . 134 ALA CA C 51.60 . . 551 . 134 ALA CB C 19.14 . . 552 . 135 LEU H H 6.68 . . 553 . 135 LEU N N 118.34 . . 554 . 135 LEU C C 176.52 . . 555 . 135 LEU CA C 53.93 . . 556 . 135 LEU CB C 39.87 . . 557 . 137 ARG H H 7.66 . . 558 . 137 ARG N N 125.49 . . 559 . 137 ARG C C 174.04 . . 560 . 137 ARG CA C 53.02 . . 561 . 137 ARG CB C 33.50 . . 562 . 138 PRO C C 174.22 . . 563 . 138 PRO CA C 62.17 . . 564 . 138 PRO CB C 33.10 . . 565 . 139 PHE H H 7.41 . . 566 . 139 PHE N N 123.32 . . 567 . 139 PHE C C 173.67 . . 568 . 139 PHE CA C 56.98 . . 569 . 139 PHE CB C 35.33 . . 570 . 140 ARG H H 6.87 . . 571 . 140 ARG N N 115.86 . . 572 . 140 ARG C C 176.92 . . 573 . 140 ARG CA C 54.18 . . 574 . 140 ARG CB C 31.82 . . 575 . 141 PHE H H 5.74 . . 576 . 141 PHE N N 115.24 . . 577 . 141 PHE C C 174.89 . . 578 . 141 PHE CA C 59.30 . . 579 . 141 PHE CB C 41.59 . . 580 . 142 ILE H H 9.27 . . 581 . 142 ILE N N 127.45 . . 582 . 142 ILE C C 173.62 . . 583 . 142 ILE CA C 57.00 . . 584 . 142 ILE CB C 40.25 . . 585 . 143 ALA H H 7.36 . . 586 . 143 ALA N N 136.78 . . 587 . 143 ALA C C 177.11 . . 588 . 143 ALA CA C 49.99 . . 589 . 143 ALA CB C 16.62 . . 590 . 144 PRO C C 177.72 . . 591 . 144 PRO CA C 63.40 . . 592 . 144 PRO CB C 30.21 . . 593 . 145 SER H H 7.73 . . 594 . 145 SER N N 115.25 . . 595 . 145 SER C C 175.99 . . 596 . 145 SER CA C 59.19 . . 597 . 145 SER CB C 60.47 . . 598 . 146 GLN H H 8.39 . . 599 . 146 GLN N N 120.78 . . 600 . 146 GLN C C 176.38 . . 601 . 146 GLN CA C 53.07 . . 602 . 146 GLN CB C 27.54 . . 603 . 147 PHE H H 7.46 . . 604 . 147 PHE N N 122.49 . . 605 . 147 PHE C C 175.58 . . 606 . 147 PHE CA C 55.87 . . 607 . 147 PHE CB C 36.47 . . 608 . 148 LYS H H 8.33 . . 609 . 148 LYS N N 122.67 . . 610 . 148 LYS C C 176.56 . . 611 . 148 LYS CA C 55.17 . . 612 . 148 LYS CB C 32.16 . . 613 . 153 MET C C 174.65 . . 614 . 153 MET CA C 58.49 . . 615 . 153 MET CB C 30.89 . . 616 . 154 ASN H H 7.79 . . 617 . 154 ASN N N 119.02 . . 618 . 154 ASN C C 174.81 . . 619 . 154 ASN CA C 52.35 . . 620 . 154 ASN CB C 38.95 . . 621 . 155 GLY H H 7.05 . . 622 . 155 GLY N N 109.40 . . 623 . 155 GLY C C 171.98 . . 624 . 155 GLY CA C 43.09 . . 625 . 156 ILE H H 7.64 . . 626 . 156 ILE N N 111.44 . . 627 . 156 ILE C C 176.12 . . 628 . 156 ILE CA C 58.30 . . 629 . 156 ILE CB C 42.20 . . 630 . 157 LYS H H 8.98 . . 631 . 157 LYS N N 123.66 . . 632 . 157 LYS C C 175.13 . . 633 . 157 LYS CA C 58.18 . . 634 . 157 LYS CB C 30.53 . . 635 . 158 ALA H H 7.86 . . 636 . 158 ALA N N 123.44 . . 637 . 158 ALA C C 175.64 . . 638 . 158 ALA CA C 49.07 . . 639 . 158 ALA CB C 18.08 . . 640 . 159 PRO C C 173.49 . . 641 . 159 PRO CA C 62.11 . . 642 . 159 PRO CB C 29.24 . . 643 . 160 ILE H H 7.29 . . 644 . 160 ILE N N 125.41 . . 645 . 160 ILE C C 174.37 . . 646 . 160 ILE CA C 58.48 . . 647 . 160 ILE CB C 35.57 . . 648 . 161 GLY H H 8.83 . . 649 . 161 GLY N N 118.14 . . 650 . 161 GLY C C 174.32 . . 651 . 161 GLY CA C 43.47 . . 652 . 162 THR C C 175.55 . . 653 . 162 THR CA C 61.26 . . 654 . 163 GLY H H 8.62 . . 655 . 163 GLY N N 108.88 . . 656 . 163 GLY C C 171.13 . . 657 . 163 GLY CA C 45.13 . . 658 . 164 PRO C C 173.69 . . 659 . 164 PRO CA C 63.90 . . 660 . 164 PRO CB C 29.55 . . 661 . 165 TRP H H 6.77 . . 662 . 165 TRP N N 120.09 . . 663 . 165 TRP C C 174.21 . . 664 . 165 TRP CA C 53.58 . . 665 . 165 TRP CB C 32.23 . . 666 . 166 ILE H H 9.57 . . 667 . 166 ILE N N 123.41 . . 668 . 166 ILE C C 176.36 . . 669 . 166 ILE CA C 59.03 . . 670 . 166 ILE CB C 40.80 . . 671 . 167 LEU H H 8.33 . . 672 . 167 LEU N N 129.31 . . 673 . 167 LEU C C 174.53 . . 674 . 167 LEU CA C 54.84 . . 675 . 167 LEU CB C 39.36 . . 676 . 168 GLN H H 9.15 . . 677 . 168 GLN N N 136.44 . . 678 . 168 GLN C C 175.25 . . 679 . 168 GLN CA C 56.35 . . 680 . 168 GLN CB C 30.50 . . 681 . 169 GLU H H 7.45 . . 682 . 169 GLU N N 118.13 . . 683 . 169 GLU C C 173.41 . . 684 . 169 GLU CA C 55.33 . . 685 . 169 GLU CB C 32.63 . . 686 . 170 SER H H 8.49 . . 687 . 170 SER N N 121.53 . . 688 . 170 SER C C 173.09 . . 689 . 170 SER CA C 56.97 . . 690 . 170 SER CB C 64.41 . . 691 . 171 LYS H H 8.86 . . 692 . 171 LYS N N 130.12 . . 693 . 171 LYS C C 176.26 . . 694 . 171 LYS CA C 53.98 . . 695 . 171 LYS CB C 32.46 . . 696 . 172 LEU C C 177.13 . . 697 . 172 LEU CA C 56.55 . . 698 . 172 LEU CB C 40.44 . . 699 . 173 ASN H H 10.01 . . 700 . 173 ASN N N 121.96 . . 701 . 173 ASN C C 174.00 . . 702 . 173 ASN CA C 54.92 . . 703 . 173 ASN CB C 36.73 . . 704 . 174 GLN H H 8.14 . . 705 . 174 GLN N N 118.50 . . 706 . 174 GLN C C 174.80 . . 707 . 174 GLN CA C 57.64 . . 708 . 174 GLN CB C 31.05 . . 709 . 175 TYR H H 7.76 . . 710 . 175 TYR N N 117.61 . . 711 . 175 TYR C C 172.74 . . 712 . 175 TYR CA C 56.55 . . 713 . 175 TYR CB C 38.48 . . 714 . 176 ASP H H 9.03 . . 715 . 176 ASP N N 120.12 . . 716 . 176 ASP C C 174.75 . . 717 . 176 ASP CA C 54.19 . . 718 . 176 ASP CB C 45.85 . . 719 . 177 VAL H H 9.18 . . 720 . 177 VAL N N 123.83 . . 721 . 177 VAL C C 174.85 . . 722 . 177 VAL CA C 61.20 . . 723 . 177 VAL CB C 34.34 . . 724 . 178 PHE H H 9.48 . . 725 . 178 PHE N N 128.51 . . 726 . 178 PHE C C 174.97 . . 727 . 178 PHE CA C 55.38 . . 728 . 178 PHE CB C 41.81 . . 729 . 179 VAL H H 9.17 . . 730 . 179 VAL N N 114.05 . . 731 . 179 VAL C C 175.73 . . 732 . 179 VAL CA C 57.83 . . 733 . 179 VAL CB C 34.76 . . 734 . 180 ARG H H 8.26 . . 735 . 180 ARG N N 125.21 . . 736 . 180 ARG C C 175.35 . . 737 . 180 ARG CA C 56.23 . . 738 . 180 ARG CB C 30.45 . . 739 . 181 ASN H H 8.22 . . 740 . 181 ASN N N 123.47 . . 741 . 181 ASN C C 176.10 . . 742 . 181 ASN CA C 50.68 . . 743 . 181 ASN CB C 36.59 . . 744 . 182 GLU H H 8.94 . . 745 . 182 GLU N N 129.63 . . 746 . 182 GLU C C 176.39 . . 747 . 182 GLU CA C 56.79 . . 748 . 182 GLU CB C 27.43 . . 749 . 183 ASN H H 7.55 . . 750 . 183 ASN N N 116.80 . . 751 . 183 ASN C C 174.35 . . 752 . 183 ASN CA C 51.52 . . 753 . 183 ASN CB C 38.49 . . 754 . 184 TYR H H 6.73 . . 755 . 184 TYR N N 123.53 . . 756 . 184 TYR C C 175.57 . . 757 . 184 TYR CA C 57.31 . . 758 . 184 TYR CB C 38.34 . . 759 . 185 TRP H H 6.68 . . 760 . 185 TRP N N 128.11 . . 761 . 185 TRP C C 176.13 . . 762 . 185 TRP CA C 56.93 . . 763 . 185 TRP CB C 27.62 . . 764 . 186 GLY H H 3.69 . . 765 . 186 GLY N N 110.53 . . 766 . 186 GLY C C 172.55 . . 767 . 186 GLY CA C 42.44 . . 768 . 187 GLU H H 7.80 . . 769 . 187 GLU N N 124.74 . . 770 . 187 GLU C C 176.16 . . 771 . 187 GLU CA C 55.81 . . 772 . 187 GLU CB C 28.63 . . 773 . 188 LYS H H 8.41 . . 774 . 188 LYS N N 127.75 . . 775 . 188 LYS C C 175.01 . . 776 . 188 LYS CA C 53.76 . . 777 . 188 LYS CB C 30.95 . . 778 . 189 PRO C C 175.37 . . 779 . 189 PRO CA C 61.99 . . 780 . 189 PRO CB C 32.26 . . 781 . 190 ALA H H 8.32 . . 782 . 190 ALA N N 127.28 . . 783 . 190 ALA C C 178.58 . . 784 . 190 ALA CA C 53.30 . . 785 . 190 ALA CB C 18.24 . . 786 . 191 ILE H H 7.64 . . 787 . 191 ILE N N 120.41 . . 788 . 191 ILE C C 173.61 . . 789 . 191 ILE CA C 59.04 . . 790 . 191 ILE CB C 36.90 . . 791 . 192 LYS H H 8.98 . . 792 . 192 LYS N N 123.77 . . 793 . 192 LYS C C 176.38 . . 794 . 192 LYS CA C 56.45 . . 795 . 192 LYS CB C 33.76 . . 796 . 193 LYS H H 7.36 . . 797 . 193 LYS N N 124.01 . . 798 . 193 LYS C C 172.87 . . 799 . 193 LYS CA C 55.33 . . 800 . 193 LYS CB C 35.66 . . 801 . 194 ILE H H 8.82 . . 802 . 194 ILE N N 127.17 . . 803 . 194 ILE C C 174.63 . . 804 . 194 ILE CA C 59.37 . . 805 . 194 ILE CB C 40.50 . . 806 . 195 THR H H 8.22 . . 807 . 195 THR N N 126.16 . . 808 . 195 THR C C 172.64 . . 809 . 195 THR CA C 62.05 . . 810 . 195 THR CB C 69.08 . . 811 . 196 PHE H H 9.72 . . 812 . 196 PHE N N 129.26 . . 813 . 196 PHE C C 174.73 . . 814 . 196 PHE CA C 56.12 . . 815 . 196 PHE CB C 39.28 . . 816 . 197 ASN H H 8.72 . . 817 . 197 ASN N N 125.51 . . 818 . 197 ASN C C 174.94 . . 819 . 197 ASN CA C 52.63 . . 820 . 197 ASN CB C 37.99 . . 821 . 198 VAL H H 8.01 . . 822 . 198 VAL N N 127.74 . . 823 . 198 VAL C C 175.97 . . 824 . 198 VAL CA C 62.21 . . 825 . 198 VAL CB C 29.00 . . 826 . 199 ILE H H 7.87 . . 827 . 199 ILE N N 130.15 . . 828 . 199 ILE C C 173.88 . . 829 . 199 ILE CA C 57.86 . . 830 . 199 ILE CB C 39.33 . . 831 . 202 PRO C C 178.97 . . 832 . 202 PRO CA C 64.95 . . 833 . 203 THR H H 8.02 . . 834 . 203 THR N N 117.12 . . 835 . 203 THR C C 176.15 . . 836 . 203 THR CA C 66.28 . . 837 . 203 THR CB C 67.19 . . 838 . 204 THR H H 7.72 . . 839 . 204 THR N N 121.88 . . 840 . 204 THR C C 176.65 . . 841 . 204 THR CA C 65.87 . . 842 . 204 THR CB C 66.72 . . 843 . 205 ARG H H 7.82 . . 844 . 205 ARG N N 123.75 . . 845 . 205 ARG C C 176.52 . . 846 . 205 ARG CA C 61.09 . . 847 . 205 ARG CB C 29.76 . . 848 . 206 ALA H H 7.47 . . 849 . 206 ALA N N 121.87 . . 850 . 206 ALA C C 179.81 . . 851 . 206 ALA CA C 55.13 . . 852 . 206 ALA CB C 17.96 . . 853 . 207 VAL H H 8.24 . . 854 . 207 VAL N N 122.03 . . 855 . 207 VAL C C 178.45 . . 856 . 207 VAL CA C 65.68 . . 857 . 207 VAL CB C 31.04 . . 858 . 208 ALA H H 8.29 . . 859 . 208 ALA N N 125.09 . . 860 . 208 ALA C C 179.40 . . 861 . 208 ALA CA C 54.14 . . 862 . 208 ALA CB C 16.63 . . 863 . 209 PHE H H 7.63 . . 864 . 209 PHE N N 119.91 . . 865 . 209 PHE C C 178.06 . . 866 . 209 PHE CA C 61.25 . . 867 . 209 PHE CB C 38.12 . . 868 . 210 GLU H H 8.48 . . 869 . 210 GLU N N 124.25 . . 870 . 210 GLU C C 178.92 . . 871 . 210 GLU CA C 59.46 . . 872 . 210 GLU CB C 29.14 . . 873 . 211 THR H H 8.35 . . 874 . 211 THR N N 110.89 . . 875 . 211 THR C C 175.52 . . 876 . 211 THR CA C 62.49 . . 877 . 211 THR CB C 69.30 . . 878 . 212 GLY H H 7.42 . . 879 . 212 GLY N N 111.53 . . 880 . 212 GLY C C 174.53 . . 881 . 212 GLY CA C 44.64 . . 882 . 213 ASP H H 7.88 . . 883 . 213 ASP N N 123.62 . . 884 . 213 ASP C C 176.05 . . 885 . 213 ASP CA C 56.02 . . 886 . 213 ASP CB C 40.76 . . 887 . 214 ILE H H 6.87 . . 888 . 214 ILE N N 113.40 . . 889 . 214 ILE C C 174.09 . . 890 . 214 ILE CA C 58.24 . . 891 . 214 ILE CB C 39.98 . . 892 . 215 ASP H H 8.52 . . 893 . 215 ASP N N 121.20 . . 894 . 215 ASP C C 174.94 . . 895 . 215 ASP CA C 55.81 . . 896 . 215 ASP CB C 43.40 . . 897 . 216 LEU H H 7.06 . . 898 . 216 LEU N N 117.66 . . 899 . 216 LEU C C 174.57 . . 900 . 216 LEU CA C 54.08 . . 901 . 216 LEU CB C 44.71 . . 902 . 217 LEU H H 9.37 . . 903 . 217 LEU N N 129.90 . . 904 . 217 LEU C C 172.81 . . 905 . 217 LEU CA C 54.40 . . 906 . 217 LEU CB C 44.49 . . 907 . 218 TYR H H 8.49 . . 908 . 218 TYR N N 128.21 . . 909 . 218 TYR C C 174.66 . . 910 . 218 TYR CA C 55.27 . . 911 . 218 TYR CB C 40.94 . . 912 . 219 GLY H H 8.68 . . 913 . 219 GLY N N 115.80 . . 914 . 219 GLY C C 170.61 . . 915 . 219 GLY CA C 46.36 . . 916 . 220 ASN H H 7.93 . . 917 . 220 ASN N N 120.33 . . 918 . 220 ASN C C 174.63 . . 919 . 220 ASN CA C 50.69 . . 920 . 220 ASN CB C 36.99 . . 921 . 221 GLU H H 9.44 . . 922 . 221 GLU N N 121.35 . . 923 . 221 GLU C C 176.09 . . 924 . 221 GLU CA C 57.58 . . 925 . 221 GLU CB C 26.29 . . 926 . 222 GLY H H 7.89 . . 927 . 222 GLY N N 109.51 . . 928 . 222 GLY C C 175.07 . . 929 . 222 GLY CA C 44.43 . . 930 . 227 ASP H H 8.50 . . 931 . 227 ASP N N 117.88 . . 932 . 227 ASP C C 179.01 . . 933 . 227 ASP CA C 55.13 . . 934 . 227 ASP CB C 37.13 . . 935 . 228 THR H H 7.02 . . 936 . 228 THR N N 121.37 . . 937 . 228 THR C C 174.79 . . 938 . 228 THR CA C 65.12 . . 939 . 228 THR CB C 66.64 . . 940 . 229 PHE H H 7.94 . . 941 . 229 PHE N N 124.37 . . 942 . 229 PHE C C 177.05 . . 943 . 229 PHE CA C 62.73 . . 944 . 229 PHE CB C 38.08 . . 945 . 230 ALA H H 8.12 . . 946 . 230 ALA N N 123.00 . . 947 . 230 ALA C C 180.61 . . 948 . 230 ALA CA C 54.64 . . 949 . 230 ALA CB C 16.77 . . 950 . 231 ARG H H 7.30 . . 951 . 231 ARG N N 121.65 . . 952 . 231 ARG C C 180.35 . . 953 . 231 ARG CA C 59.18 . . 954 . 231 ARG CB C 28.85 . . 955 . 232 PHE H H 8.65 . . 956 . 232 PHE N N 123.49 . . 957 . 232 PHE C C 179.04 . . 958 . 232 PHE CA C 56.94 . . 959 . 232 PHE CB C 36.02 . . 960 . 233 SER H H 8.25 . . 961 . 233 SER N N 116.36 . . 962 . 233 SER C C 174.20 . . 963 . 233 SER CA C 60.07 . . 964 . 233 SER CB C 62.12 . . 965 . 234 GLN H H 7.08 . . 966 . 234 GLN N N 120.41 . . 967 . 234 GLN C C 174.76 . . 968 . 234 GLN CA C 54.47 . . 969 . 234 GLN CB C 28.35 . . 970 . 235 ASN H H 7.48 . . 971 . 235 ASN N N 123.20 . . 972 . 235 ASN C C 174.19 . . 973 . 235 ASN CA C 49.45 . . 974 . 235 ASN CB C 39.13 . . 975 . 236 PRO C C 176.75 . . 976 . 236 PRO CA C 63.33 . . 977 . 236 PRO CB C 30.95 . . 978 . 237 ALA H H 7.88 . . 979 . 237 ALA N N 122.57 . . 980 . 237 ALA C C 176.80 . . 981 . 237 ALA CA C 52.31 . . 982 . 237 ALA CB C 17.48 . . 983 . 238 TYR H H 7.65 . . 984 . 238 TYR N N 117.80 . . 985 . 238 TYR C C 174.47 . . 986 . 238 TYR CA C 52.57 . . 987 . 238 TYR CB C 38.61 . . 988 . 239 HIS H H 8.65 . . 989 . 239 HIS N N 123.70 . . 990 . 239 HIS C C 173.78 . . 991 . 239 HIS CA C 54.80 . . 992 . 239 HIS CB C 29.89 . . 993 . 240 THR H H 7.71 . . 994 . 240 THR N N 117.84 . . 995 . 240 THR C C 173.45 . . 996 . 240 THR CA C 58.39 . . 997 . 240 THR CB C 71.34 . . 998 . 241 GLN H H 8.65 . . 999 . 241 GLN N N 118.32 . . 1000 . 241 GLN C C 173.32 . . 1001 . 241 GLN CA C 54.01 . . 1002 . 241 GLN CB C 32.74 . . 1003 . 242 LEU H H 7.94 . . 1004 . 242 LEU N N 122.84 . . 1005 . 242 LEU C C 177.50 . . 1006 . 242 LEU CA C 53.30 . . 1007 . 242 LEU CB C 44.74 . . 1008 . 243 SER H H 8.11 . . 1009 . 243 SER N N 120.63 . . 1010 . 243 SER CA C 58.36 . . 1011 . 243 SER CB C 63.97 . . 1012 . 246 ILE H H 8.61 . . 1013 . 246 ILE N N 117.16 . . 1014 . 246 ILE C C 176.58 . . 1015 . 246 ILE CA C 59.85 . . 1016 . 246 ILE CB C 35.72 . . 1017 . 247 GLU H H 7.26 . . 1018 . 247 GLU N N 117.97 . . 1019 . 247 GLU C C 173.47 . . 1020 . 247 GLU CA C 54.19 . . 1021 . 247 GLU CB C 30.34 . . 1022 . 248 THR H H 8.31 . . 1023 . 248 THR N N 121.51 . . 1024 . 248 THR C C 173.40 . . 1025 . 248 THR CA C 61.57 . . 1026 . 248 THR CB C 69.31 . . 1027 . 249 VAL H H 9.11 . . 1028 . 249 VAL N N 126.77 . . 1029 . 249 VAL C C 174.82 . . 1030 . 249 VAL CA C 62.05 . . 1031 . 249 VAL CB C 31.32 . . 1032 . 250 MET H H 8.39 . . 1033 . 250 MET N N 127.22 . . 1034 . 250 MET C C 172.76 . . 1035 . 250 MET CA C 53.11 . . 1036 . 250 MET CB C 36.34 . . 1037 . 251 LEU H H 8.03 . . 1038 . 251 LEU N N 118.55 . . 1039 . 251 LEU C C 177.30 . . 1040 . 251 LEU CA C 52.58 . . 1041 . 251 LEU CB C 41.41 . . 1042 . 252 ALA H H 8.84 . . 1043 . 252 ALA N N 126.86 . . 1044 . 252 ALA C C 174.89 . . 1045 . 252 ALA CA C 50.73 . . 1046 . 252 ALA CB C 17.87 . . 1047 . 253 LEU H H 8.40 . . 1048 . 253 LEU N N 125.76 . . 1049 . 253 LEU C C 174.89 . . 1050 . 253 LEU CA C 52.95 . . 1051 . 253 LEU CB C 40.92 . . 1052 . 254 ASN H H 8.32 . . 1053 . 254 ASN N N 116.94 . . 1054 . 254 ASN C C 177.63 . . 1055 . 254 ASN CA C 53.34 . . 1056 . 254 ASN CB C 37.13 . . 1057 . 255 THR H H 8.72 . . 1058 . 255 THR N N 121.73 . . 1059 . 255 THR C C 173.46 . . 1060 . 255 THR CA C 63.62 . . 1061 . 255 THR CB C 69.68 . . 1062 . 256 ALA H H 8.38 . . 1063 . 256 ALA N N 124.21 . . 1064 . 256 ALA C C 176.36 . . 1065 . 256 ALA CA C 50.30 . . 1066 . 256 ALA CB C 18.98 . . 1067 . 257 LYS H H 6.81 . . 1068 . 257 LYS N N 122.61 . . 1069 . 257 LYS C C 174.21 . . 1070 . 257 LYS CA C 53.75 . . 1071 . 257 LYS CB C 35.12 . . 1072 . 258 ALA H H 8.69 . . 1073 . 258 ALA N N 130.99 . . 1074 . 258 ALA C C 178.21 . . 1075 . 258 ALA CA C 50.73 . . 1076 . 258 ALA CB C 16.65 . . 1077 . 259 PRO C C 175.50 . . 1078 . 259 PRO CA C 64.16 . . 1079 . 259 PRO CB C 32.98 . . 1080 . 260 THR H H 7.79 . . 1081 . 260 THR N N 113.74 . . 1082 . 260 THR C C 172.47 . . 1083 . 260 THR CA C 62.38 . . 1084 . 260 THR CB C 66.08 . . 1085 . 261 ASN H H 7.87 . . 1086 . 261 ASN N N 122.26 . . 1087 . 261 ASN C C 174.28 . . 1088 . 261 ASN CA C 53.47 . . 1089 . 261 ASN CB C 36.11 . . 1090 . 262 GLU H H 7.11 . . 1091 . 262 GLU N N 123.77 . . 1092 . 262 GLU C C 176.35 . . 1093 . 262 GLU CA C 54.93 . . 1094 . 262 GLU CB C 29.32 . . 1095 . 263 LEU H H 8.94 . . 1096 . 263 LEU N N 134.70 . . 1097 . 263 LEU C C 177.53 . . 1098 . 263 LEU CA C 58.30 . . 1099 . 263 LEU CB C 39.90 . . 1100 . 264 ALA H H 8.80 . . 1101 . 264 ALA N N 119.36 . . 1102 . 264 ALA C C 180.09 . . 1103 . 264 ALA CA C 54.61 . . 1104 . 264 ALA CB C 18.99 . . 1105 . 265 VAL H H 6.49 . . 1106 . 265 VAL N N 115.30 . . 1107 . 265 VAL C C 176.95 . . 1108 . 265 VAL CA C 65.01 . . 1109 . 265 VAL CB C 30.20 . . 1110 . 266 ARG H H 7.35 . . 1111 . 266 ARG N N 119.88 . . 1112 . 266 ARG C C 179.80 . . 1113 . 266 ARG CA C 60.85 . . 1114 . 266 ARG CB C 28.20 . . 1115 . 267 GLU H H 9.04 . . 1116 . 267 GLU N N 121.52 . . 1117 . 267 GLU C C 178.95 . . 1118 . 267 GLU CA C 59.13 . . 1119 . 267 GLU CB C 29.88 . . 1120 . 268 ALA H H 7.97 . . 1121 . 268 ALA N N 123.84 . . 1122 . 268 ALA C C 180.16 . . 1123 . 268 ALA CA C 55.55 . . 1124 . 268 ALA CB C 17.51 . . 1125 . 269 LEU H H 8.33 . . 1126 . 269 LEU N N 117.27 . . 1127 . 269 LEU C C 178.69 . . 1128 . 269 LEU CA C 57.62 . . 1129 . 269 LEU CB C 38.85 . . 1130 . 270 ASN H H 7.13 . . 1131 . 270 ASN N N 117.45 . . 1132 . 270 ASN C C 176.34 . . 1133 . 270 ASN CA C 56.08 . . 1134 . 270 ASN CB C 39.89 . . 1135 . 271 TYR H H 7.46 . . 1136 . 271 TYR N N 118.96 . . 1137 . 271 TYR C C 176.43 . . 1138 . 271 TYR CA C 59.29 . . 1139 . 271 TYR CB C 39.58 . . 1140 . 272 ALA H H 7.34 . . 1141 . 272 ALA N N 120.99 . . 1142 . 272 ALA C C 177.38 . . 1143 . 272 ALA CA C 53.42 . . 1144 . 272 ALA CB C 21.16 . . 1145 . 273 VAL H H 7.38 . . 1146 . 273 VAL N N 116.82 . . 1147 . 273 VAL C C 175.19 . . 1148 . 273 VAL CA C 61.23 . . 1149 . 273 VAL CB C 31.54 . . 1150 . 274 ASN H H 8.68 . . 1151 . 274 ASN N N 129.24 . . 1152 . 274 ASN C C 176.12 . . 1153 . 274 ASN CA C 50.20 . . 1154 . 274 ASN CB C 33.97 . . 1155 . 275 LYS H H 7.79 . . 1156 . 275 LYS N N 128.67 . . 1157 . 275 LYS C C 177.23 . . 1158 . 275 LYS CA C 59.89 . . 1159 . 275 LYS CB C 32.48 . . 1160 . 276 LYS H H 8.28 . . 1161 . 276 LYS N N 120.98 . . 1162 . 276 LYS C C 177.74 . . 1163 . 276 LYS CA C 58.86 . . 1164 . 276 LYS CB C 30.72 . . 1165 . 277 SER H H 6.68 . . 1166 . 277 SER N N 113.57 . . 1167 . 277 SER C C 176.81 . . 1168 . 277 SER CA C 59.85 . . 1169 . 277 SER CB C 62.12 . . 1170 . 278 LEU H H 7.57 . . 1171 . 278 LEU N N 125.09 . . 1172 . 278 LEU C C 178.78 . . 1173 . 278 LEU CA C 58.99 . . 1174 . 278 LEU CB C 40.73 . . 1175 . 279 ILE H H 8.34 . . 1176 . 279 ILE N N 123.63 . . 1177 . 279 ILE C C 179.22 . . 1178 . 279 ILE CA C 64.01 . . 1179 . 279 ILE CB C 36.25 . . 1180 . 280 ASP H H 8.21 . . 1181 . 280 ASP N N 123.65 . . 1182 . 280 ASP C C 177.38 . . 1183 . 280 ASP CA C 57.23 . . 1184 . 280 ASP CB C 39.57 . . 1185 . 281 ASN H H 8.07 . . 1186 . 281 ASN N N 117.12 . . 1187 . 281 ASN C C 175.39 . . 1188 . 281 ASN CA C 54.71 . . 1189 . 281 ASN CB C 38.66 . . 1190 . 282 ALA H H 8.12 . . 1191 . 282 ALA N N 120.77 . . 1192 . 282 ALA C C 177.12 . . 1193 . 282 ALA CA C 52.47 . . 1194 . 282 ALA CB C 17.92 . . 1195 . 283 LEU H H 6.70 . . 1196 . 283 LEU N N 113.33 . . 1197 . 283 LEU C C 177.24 . . 1198 . 283 LEU CA C 52.84 . . 1199 . 283 LEU CB C 39.52 . . 1200 . 284 TYR H H 6.94 . . 1201 . 284 TYR N N 119.18 . . 1202 . 284 TYR C C 174.92 . . 1203 . 284 TYR CA C 59.77 . . 1204 . 284 TYR CB C 34.26 . . 1205 . 285 GLY H H 8.54 . . 1206 . 285 GLY N N 107.92 . . 1207 . 285 GLY C C 176.29 . . 1208 . 285 GLY CA C 45.88 . . 1209 . 286 THR H H 7.49 . . 1210 . 286 THR N N 109.79 . . 1211 . 286 THR C C 172.79 . . 1212 . 286 THR CA C 62.82 . . 1213 . 286 THR CB C 70.39 . . 1214 . 287 GLN H H 6.19 . . 1215 . 287 GLN N N 116.97 . . 1216 . 287 GLN CA C 52.82 . . 1217 . 287 GLN CB C 30.34 . . 1218 . 288 GLN C C 175.71 . . 1219 . 288 GLN CA C 53.85 . . 1220 . 288 GLN CB C 30.45 . . 1221 . 289 VAL H H 8.39 . . 1222 . 289 VAL N N 125.33 . . 1223 . 289 VAL C C 174.08 . . 1224 . 289 VAL CA C 63.64 . . 1225 . 289 VAL CB C 31.46 . . 1226 . 290 ALA H H 7.04 . . 1227 . 290 ALA N N 130.91 . . 1228 . 290 ALA C C 174.80 . . 1229 . 290 ALA CA C 49.91 . . 1230 . 290 ALA CB C 19.45 . . 1231 . 291 ASP H H 7.61 . . 1232 . 291 ASP N N 120.23 . . 1233 . 291 ASP C C 175.64 . . 1234 . 291 ASP CA C 53.90 . . 1235 . 292 THR H H 7.09 . . 1236 . 292 THR N N 109.66 . . 1237 . 292 THR C C 173.83 . . 1238 . 292 THR CA C 58.66 . . 1239 . 292 THR CB C 71.11 . . 1240 . 293 LEU H H 8.39 . . 1241 . 293 LEU N N 126.30 . . 1242 . 293 LEU C C 173.73 . . 1243 . 293 LEU CA C 58.52 . . 1244 . 293 LEU CB C 40.37 . . 1245 . 294 PHE H H 8.36 . . 1246 . 294 PHE N N 112.44 . . 1247 . 294 PHE C C 176.67 . . 1248 . 294 PHE CA C 54.07 . . 1249 . 294 PHE CB C 39.60 . . 1250 . 295 ALA H H 8.90 . . 1251 . 295 ALA N N 133.66 . . 1252 . 295 ALA C C 175.86 . . 1253 . 295 ALA CA C 50.19 . . 1254 . 295 ALA CB C 14.96 . . 1255 . 296 PRO C C 174.78 . . 1256 . 296 PRO CA C 63.65 . . 1257 . 296 PRO CB C 30.32 . . 1258 . 297 SER H H 6.56 . . 1259 . 297 SER N N 108.75 . . 1260 . 297 SER C C 175.02 . . 1261 . 297 SER CA C 56.85 . . 1262 . 297 SER CB C 61.77 . . 1263 . 298 VAL H H 7.69 . . 1264 . 298 VAL N N 133.48 . . 1265 . 298 VAL C C 174.11 . . 1266 . 298 VAL CA C 60.41 . . 1267 . 298 VAL CB C 30.88 . . 1268 . 299 PRO C C 174.10 . . 1269 . 299 PRO CA C 64.13 . . 1270 . 299 PRO CB C 30.86 . . 1271 . 300 TYR H H 7.46 . . 1272 . 300 TYR N N 111.67 . . 1273 . 300 TYR C C 175.20 . . 1274 . 300 TYR CA C 60.81 . . 1275 . 300 TYR CB C 35.41 . . 1276 . 301 ALA H H 7.54 . . 1277 . 301 ALA N N 119.94 . . 1278 . 301 ALA C C 178.08 . . 1279 . 301 ALA CA C 50.29 . . 1280 . 301 ALA CB C 18.50 . . 1281 . 302 ASN H H 8.35 . . 1282 . 302 ASN N N 124.13 . . 1283 . 302 ASN C C 175.68 . . 1284 . 302 ASN CA C 51.69 . . 1285 . 302 ASN CB C 34.70 . . 1286 . 303 LEU H H 7.44 . . 1287 . 303 LEU N N 123.78 . . 1288 . 303 LEU C C 177.74 . . 1289 . 303 LEU CA C 54.07 . . 1290 . 303 LEU CB C 43.61 . . 1291 . 304 GLY H H 8.80 . . 1292 . 304 GLY N N 113.49 . . 1293 . 304 GLY C C 175.14 . . 1294 . 304 GLY CA C 45.93 . . 1295 . 305 LEU H H 7.39 . . 1296 . 305 LEU N N 121.34 . . 1297 . 305 LEU C C 177.41 . . 1298 . 305 LEU CA C 54.45 . . 1299 . 305 LEU CB C 38.64 . . 1300 . 306 LYS H H 8.57 . . 1301 . 306 LYS N N 125.40 . . 1302 . 306 LYS C C 175.25 . . 1303 . 306 LYS CA C 54.03 . . 1304 . 306 LYS CB C 31.54 . . 1305 . 307 PRO C C 176.92 . . 1306 . 307 PRO CA C 62.23 . . 1307 . 307 PRO CB C 31.97 . . 1308 . 308 SER H H 8.89 . . 1309 . 308 SER N N 122.45 . . 1310 . 308 SER C C 172.97 . . 1311 . 308 SER CA C 57.52 . . 1312 . 308 SER CB C 61.55 . . 1313 . 309 GLN H H 7.86 . . 1314 . 309 GLN N N 124.40 . . 1315 . 309 GLN C C 174.21 . . 1316 . 309 GLN CA C 54.46 . . 1317 . 309 GLN CB C 29.28 . . 1318 . 310 TYR H H 7.85 . . 1319 . 310 TYR N N 122.85 . . 1320 . 310 TYR C C 175.86 . . 1321 . 310 TYR CA C 57.10 . . 1322 . 310 TYR CB C 37.18 . . 1323 . 311 ASP H H 8.98 . . 1324 . 311 ASP N N 128.45 . . 1325 . 311 ASP C C 172.67 . . 1326 . 311 ASP CA C 51.64 . . 1327 . 311 ASP CB C 39.34 . . 1328 . 312 PRO C C 178.01 . . 1329 . 312 PRO CA C 63.94 . . 1330 . 312 PRO CB C 30.80 . . 1331 . 313 GLN H H 7.66 . . 1332 . 313 GLN N N 117.76 . . 1333 . 313 GLN C C 178.94 . . 1334 . 313 GLN CA C 58.44 . . 1335 . 313 GLN CB C 26.89 . . 1336 . 314 LYS H H 7.34 . . 1337 . 314 LYS N N 125.37 . . 1338 . 314 LYS C C 178.37 . . 1339 . 314 LYS CA C 57.97 . . 1340 . 314 LYS CB C 30.72 . . 1341 . 315 ALA H H 7.52 . . 1342 . 315 ALA N N 121.71 . . 1343 . 315 ALA C C 178.83 . . 1344 . 315 ALA CA C 55.00 . . 1345 . 315 ALA CB C 18.44 . . 1346 . 316 LYS H H 7.94 . . 1347 . 316 LYS N N 117.19 . . 1348 . 316 LYS C C 177.66 . . 1349 . 316 LYS CA C 60.24 . . 1350 . 316 LYS CB C 31.75 . . 1351 . 317 ALA H H 7.56 . . 1352 . 317 ALA N N 122.70 . . 1353 . 317 ALA C C 181.28 . . 1354 . 317 ALA CA C 54.50 . . 1355 . 317 ALA CB C 17.05 . . 1356 . 318 LEU H H 8.14 . . 1357 . 318 LEU N N 122.67 . . 1358 . 318 LEU C C 180.06 . . 1359 . 318 LEU CA C 57.31 . . 1360 . 318 LEU CB C 41.52 . . 1361 . 319 LEU H H 7.63 . . 1362 . 319 LEU N N 120.74 . . 1363 . 319 LEU C C 178.83 . . 1364 . 319 LEU CA C 57.62 . . 1365 . 319 LEU CB C 39.18 . . 1366 . 320 GLU H H 8.61 . . 1367 . 320 GLU N N 122.81 . . 1368 . 320 GLU C C 181.20 . . 1369 . 320 GLU CA C 59.28 . . 1370 . 320 GLU CB C 28.39 . . 1371 . 321 LYS H H 7.99 . . 1372 . 321 LYS N N 123.07 . . 1373 . 321 LYS C C 177.61 . . 1374 . 321 LYS CA C 58.32 . . 1375 . 321 LYS CB C 30.89 . . 1376 . 322 ALA H H 7.35 . . 1377 . 322 ALA N N 122.14 . . 1378 . 322 ALA C C 175.99 . . 1379 . 322 ALA CA C 51.37 . . 1380 . 322 ALA CB C 18.65 . . 1381 . 323 GLY H H 7.66 . . 1382 . 323 GLY N N 109.69 . . 1383 . 323 GLY C C 173.41 . . 1384 . 323 GLY CA C 44.70 . . 1385 . 324 TRP H H 8.24 . . 1386 . 324 TRP N N 125.06 . . 1387 . 324 TRP C C 175.12 . . 1388 . 324 TRP CA C 54.66 . . 1389 . 324 TRP CB C 27.22 . . 1390 . 325 THR H H 7.98 . . 1391 . 325 THR N N 119.23 . . 1392 . 325 THR C C 173.34 . . 1393 . 325 THR CA C 59.63 . . 1394 . 325 THR CB C 70.14 . . 1395 . 326 LEU H H 8.83 . . 1396 . 326 LEU N N 126.05 . . 1397 . 326 LEU C C 174.54 . . 1398 . 326 LEU CA C 51.48 . . 1399 . 326 LEU CB C 41.35 . . 1400 . 329 GLY C C 173.85 . . 1401 . 329 GLY CA C 45.08 . . 1402 . 330 LYS H H 7.70 . . 1403 . 330 LYS N N 121.20 . . 1404 . 330 LYS C C 175.19 . . 1405 . 330 LYS CA C 54.23 . . 1406 . 330 LYS CB C 34.47 . . 1407 . 331 ASP H H 8.16 . . 1408 . 331 ASP N N 117.49 . . 1409 . 331 ASP C C 174.66 . . 1410 . 331 ASP CA C 53.09 . . 1411 . 331 ASP CB C 40.84 . . 1412 . 332 ILE H H 6.67 . . 1413 . 332 ILE N N 122.02 . . 1414 . 332 ILE C C 175.99 . . 1415 . 332 ILE CA C 56.67 . . 1416 . 332 ILE CB C 37.11 . . 1417 . 333 ARG H H 8.81 . . 1418 . 333 ARG N N 127.30 . . 1419 . 333 ARG C C 174.58 . . 1420 . 333 ARG CA C 56.20 . . 1421 . 333 ARG CB C 31.18 . . 1422 . 334 GLU H H 8.96 . . 1423 . 334 GLU N N 117.74 . . 1424 . 334 GLU C C 174.93 . . 1425 . 334 GLU CA C 54.20 . . 1426 . 334 GLU CB C 34.83 . . 1427 . 335 LYS H H 8.08 . . 1428 . 335 LYS N N 124.59 . . 1429 . 335 LYS C C 176.89 . . 1430 . 335 LYS CA C 55.47 . . 1431 . 335 LYS CB C 31.77 . . 1432 . 336 ASN C C 175.30 . . 1433 . 336 ASN CA C 53.68 . . 1434 . 336 ASN CB C 36.59 . . 1435 . 337 GLY H H 9.088 . . 1436 . 337 GLY N N 107.11 . . 1437 . 337 GLY C C 173.45 . . 1438 . 337 GLY CA C 44.70 . . 1439 . 338 GLN H H 7.59 . . 1440 . 338 GLN N N 122.90 . . 1441 . 338 GLN C C 173.40 . . 1442 . 338 GLN CA C 51.11 . . 1443 . 338 GLN CB C 28.90 . . 1444 . 339 PRO C C 177.49 . . 1445 . 339 PRO CA C 61.41 . . 1446 . 339 PRO CB C 31.80 . . 1447 . 340 LEU H H 8.58 . . 1448 . 340 LEU N N 127.45 . . 1449 . 340 LEU C C 171.82 . . 1450 . 340 LEU CA C 53.08 . . 1451 . 340 LEU CB C 37.11 . . 1452 . 341 ARG H H 7.39 . . 1453 . 341 ARG N N 129.93 . . 1454 . 341 ARG C C 175.17 . . 1455 . 341 ARG CA C 53.32 . . 1456 . 341 ARG CB C 31.26 . . 1457 . 342 ILE H H 8.48 . . 1458 . 342 ILE N N 126.93 . . 1459 . 342 ILE C C 174.40 . . 1460 . 342 ILE CA C 59.14 . . 1461 . 342 ILE CB C 41.55 . . 1462 . 343 GLU H H 8.85 . . 1463 . 343 GLU N N 128.95 . . 1464 . 343 GLU C C 175.15 . . 1465 . 343 GLU CA C 55.52 . . 1466 . 343 GLU CB C 30.17 . . 1467 . 344 LEU H H 9.08 . . 1468 . 344 LEU N N 134.21 . . 1469 . 344 LEU C C 174.05 . . 1470 . 344 LEU CA C 53.38 . . 1471 . 344 LEU CB C 42.73 . . 1472 . 345 SER H H 8.57 . . 1473 . 345 SER N N 125.44 . . 1474 . 345 SER C C 173.22 . . 1475 . 345 SER CA C 57.85 . . 1476 . 345 SER CB C 65.19 . . 1477 . 346 PHE H H 8.00 . . 1478 . 346 PHE N N 120.90 . . 1479 . 346 PHE C C 172.06 . . 1480 . 346 PHE CA C 54.73 . . 1481 . 346 PHE CB C 40.74 . . 1482 . 347 ILE H H 9.15 . . 1483 . 347 ILE N N 124.17 . . 1484 . 347 ILE C C 178.07 . . 1485 . 347 ILE CA C 60.99 . . 1486 . 347 ILE CB C 35.83 . . 1487 . 348 GLY H H 8.91 . . 1488 . 348 GLY N N 118.30 . . 1489 . 348 GLY C C 174.56 . . 1490 . 348 GLY CA C 46.14 . . 1491 . 349 THR H H 6.99 . . 1492 . 349 THR N N 109.21 . . 1493 . 349 THR C C 173.89 . . 1494 . 349 THR CA C 60.49 . . 1495 . 349 THR CB C 67.83 . . 1496 . 350 ASP H H 7.75 . . 1497 . 350 ASP N N 126.46 . . 1498 . 350 ASP C C 174.64 . . 1499 . 350 ASP CA C 52.84 . . 1500 . 350 ASP CB C 40.82 . . 1501 . 351 ALA H H 8.49 . . 1502 . 351 ALA N N 133.43 . . 1503 . 351 ALA C C 180.41 . . 1504 . 351 ALA CA C 54.82 . . 1505 . 351 ALA CB C 17.74 . . 1506 . 352 LEU H H 8.12 . . 1507 . 352 LEU N N 121.26 . . 1508 . 352 LEU CA C 57.39 . . 1509 . 352 LEU CB C 39.84 . . 1510 . 354 LYS C C 177.71 . . 1511 . 354 LYS CA C 59.20 . . 1512 . 354 LYS CB C 31.34 . . 1513 . 355 SER H H 7.75 . . 1514 . 355 SER N N 115.87 . . 1515 . 355 SER C C 177.78 . . 1516 . 355 SER CA C 60.88 . . 1517 . 355 SER CB C 62.01 . . 1518 . 356 MET H H 8.06 . . 1519 . 356 MET N N 120.68 . . 1520 . 356 MET C C 177.38 . . 1521 . 356 MET CA C 59.72 . . 1522 . 356 MET CB C 34.11 . . 1523 . 357 ALA H H 8.61 . . 1524 . 357 ALA N N 123.67 . . 1525 . 357 ALA C C 178.57 . . 1526 . 357 ALA CA C 55.03 . . 1527 . 357 ALA CB C 17.27 . . 1528 . 358 GLU H H 7.64 . . 1529 . 358 GLU N N 118.20 . . 1530 . 358 GLU C C 179.71 . . 1531 . 358 GLU CA C 58.92 . . 1532 . 358 GLU CB C 28.43 . . 1533 . 359 ILE H H 7.15 . . 1534 . 359 ILE N N 124.54 . . 1535 . 359 ILE C C 177.53 . . 1536 . 359 ILE CA C 64.65 . . 1537 . 359 ILE CB C 37.12 . . 1538 . 360 ILE H H 8.35 . . 1539 . 360 ILE N N 122.74 . . 1540 . 360 ILE C C 177.71 . . 1541 . 360 ILE CA C 65.34 . . 1542 . 360 ILE CB C 36.53 . . 1543 . 361 ARG H H 8.37 . . 1544 . 361 ARG N N 121.20 . . 1545 . 361 ARG C C 178.43 . . 1546 . 361 ARG CA C 59.58 . . 1547 . 361 ARG CB C 28.71 . . 1548 . 362 ALA H H 7.57 . . 1549 . 362 ALA N N 126.04 . . 1550 . 362 ALA C C 180.62 . . 1551 . 362 ALA CA C 55.04 . . 1552 . 362 ALA CB C 17.10 . . 1553 . 363 ASP H H 8.63 . . 1554 . 363 ASP N N 123.71 . . 1555 . 363 ASP C C 181.39 . . 1556 . 363 ASP CA C 57.47 . . 1557 . 363 ASP CB C 39.04 . . 1558 . 364 MET H H 8.65 . . 1559 . 364 MET N N 120.85 . . 1560 . 364 MET C C 178.12 . . 1561 . 364 MET CA C 58.66 . . 1562 . 364 MET CB C 29.57 . . 1563 . 365 ARG H H 8.03 . . 1564 . 365 ARG N N 124.83 . . 1565 . 365 ARG C C 180.45 . . 1566 . 365 ARG CA C 58.06 . . 1567 . 365 ARG CB C 28.08 . . 1568 . 366 GLN H H 7.31 . . 1569 . 366 GLN N N 117.41 . . 1570 . 366 GLN C C 177.50 . . 1571 . 366 GLN CA C 57.22 . . 1572 . 366 GLN CB C 27.55 . . 1573 . 367 ILE H H 7.06 . . 1574 . 367 ILE N N 109.81 . . 1575 . 367 ILE C C 175.68 . . 1576 . 367 ILE CA C 59.79 . . 1577 . 367 ILE CB C 36.87 . . 1578 . 368 GLY H H 7.76 . . 1579 . 368 GLY N N 110.69 . . 1580 . 368 GLY C C 172.51 . . 1581 . 368 GLY CA C 45.44 . . 1582 . 369 ALA H H 7.56 . . 1583 . 369 ALA N N 122.79 . . 1584 . 369 ALA C C 175.02 . . 1585 . 369 ALA CA C 49.07 . . 1586 . 369 ALA CB C 19.11 . . 1587 . 370 ASP H H 8.95 . . 1588 . 370 ASP N N 126.43 . . 1589 . 370 ASP C C 174.11 . . 1590 . 370 ASP CA C 52.24 . . 1591 . 370 ASP CB C 41.09 . . 1592 . 371 VAL H H 8.00 . . 1593 . 371 VAL N N 128.50 . . 1594 . 371 VAL C C 175.19 . . 1595 . 371 VAL CA C 60.21 . . 1596 . 371 VAL CB C 31.48 . . 1597 . 372 SER H H 8.52 . . 1598 . 372 SER N N 125.98 . . 1599 . 372 SER C C 173.45 . . 1600 . 372 SER CA C 55.91 . . 1601 . 372 SER CB C 63.14 . . 1602 . 373 LEU H H 8.64 . . 1603 . 373 LEU N N 128.77 . . 1604 . 373 LEU C C 176.38 . . 1605 . 373 LEU CA C 54.33 . . 1606 . 373 LEU CB C 40.43 . . 1607 . 374 ILE H H 8.87 . . 1608 . 374 ILE N N 129.66 . . 1609 . 374 ILE C C 173.41 . . 1610 . 374 ILE CA C 59.12 . . 1611 . 374 ILE CB C 36.76 . . 1612 . 375 GLY H H 8.14 . . 1613 . 375 GLY N N 118.34 . . 1614 . 375 GLY C C 174.48 . . 1615 . 375 GLY CA C 43.45 . . 1616 . 376 GLU H H 8.09 . . 1617 . 376 GLU N N 126.28 . . 1618 . 376 GLU C C 175.70 . . 1619 . 376 GLU CA C 53.65 . . 1620 . 376 GLU CB C 34.69 . . 1621 . 377 GLU H H 8.41 . . 1622 . 377 GLU N N 120.52 . . 1623 . 377 GLU C C 177.44 . . 1624 . 377 GLU CA C 55.81 . . 1625 . 377 GLU CB C 29.36 . . 1626 . 378 GLU H H 9.06 . . 1627 . 378 GLU N N 124.42 . . 1628 . 378 GLU C C 177.17 . . 1629 . 378 GLU CA C 60.38 . . 1630 . 378 GLU CB C 28.59 . . 1631 . 379 SER C C 177.56 . . 1632 . 380 SER H H 7.13 . . 1633 . 380 SER N N 120.75 . . 1634 . 380 SER C C 177.02 . . 1635 . 380 SER CA C 60.18 . . 1636 . 380 SER CB C 62.28 . . 1637 . 381 ILE H H 7.61 . . 1638 . 381 ILE N N 125.34 . . 1639 . 381 ILE C C 178.28 . . 1640 . 381 ILE CA C 61.39 . . 1641 . 381 ILE CB C 33.53 . . 1642 . 382 TYR H H 8.33 . . 1643 . 382 TYR N N 122.40 . . 1644 . 382 TYR C C 178.61 . . 1645 . 382 TYR CA C 59.31 . . 1646 . 382 TYR CB C 35.68 . . 1647 . 383 ALA H H 7.41 . . 1648 . 383 ALA N N 123.53 . . 1649 . 383 ALA C C 179.32 . . 1650 . 383 ALA CA C 54.73 . . 1651 . 383 ALA CB C 16.89 . . 1652 . 384 ARG H H 7.96 . . 1653 . 384 ARG N N 120.05 . . 1654 . 384 ARG C C 180.05 . . 1655 . 384 ARG CA C 60.05 . . 1656 . 384 ARG CB C 29.36 . . 1657 . 385 GLN H H 8.03 . . 1658 . 385 GLN N N 119.10 . . 1659 . 385 GLN C C 176.37 . . 1660 . 385 GLN CA C 59.08 . . 1661 . 385 GLN CB C 27.44 . . 1662 . 386 ARG H H 7.21 . . 1663 . 386 ARG N N 116.73 . . 1664 . 386 ARG C C 177.81 . . 1665 . 386 ARG CA C 57.70 . . 1666 . 386 ARG CB C 29.49 . . 1667 . 387 ASP H H 7.83 . . 1668 . 387 ASP N N 116.77 . . 1669 . 387 ASP C C 177.74 . . 1670 . 387 ASP CA C 53.62 . . 1671 . 387 ASP CB C 41.00 . . 1672 . 388 GLY H H 7.90 . . 1673 . 388 GLY N N 111.18 . . 1674 . 388 GLY C C 174.37 . . 1675 . 388 GLY CA C 45.71 . . 1676 . 389 ARG H H 8.06 . . 1677 . 389 ARG N N 126.47 . . 1678 . 389 ARG C C 174.22 . . 1679 . 389 ARG CA C 53.96 . . 1680 . 389 ARG CB C 28.29 . . 1681 . 390 PHE H H 7.02 . . 1682 . 390 PHE N N 116.07 . . 1683 . 390 PHE C C 172.87 . . 1684 . 390 PHE CA C 55.28 . . 1685 . 390 PHE CB C 40.31 . . 1686 . 391 GLY H H 8.32 . . 1687 . 391 GLY N N 111.62 . . 1688 . 391 GLY C C 172.27 . . 1689 . 391 GLY CA C 46.09 . . 1690 . 392 MET H H 8.39 . . 1691 . 392 MET N N 119.78 . . 1692 . 392 MET C C 174.33 . . 1693 . 392 MET CA C 53.43 . . 1694 . 392 MET CB C 36.56 . . 1695 . 393 ILE H H 8.11 . . 1696 . 393 ILE N N 121.22 . . 1697 . 393 ILE C C 174.17 . . 1698 . 393 ILE CA C 58.65 . . 1699 . 393 ILE CB C 41.57 . . 1700 . 394 PHE H H 7.85 . . 1701 . 394 PHE N N 127.00 . . 1702 . 394 PHE C C 175.15 . . 1703 . 394 PHE CA C 60.39 . . 1704 . 394 PHE CB C 39.17 . . 1705 . 395 HIS H H 9.24 . . 1706 . 395 HIS N N 126.38 . . 1707 . 395 HIS C C 173.15 . . 1708 . 395 HIS CA C 52.34 . . 1709 . 395 HIS CB C 34.24 . . 1710 . 399 GLY H H 9.00 . . 1711 . 399 GLY N N 112.23 . . 1712 . 399 GLY C C 173.73 . . 1713 . 399 GLY CA C 43.50 . . 1714 . 400 ALA H H 8.80 . . 1715 . 400 ALA N N 126.41 . . 1716 . 400 ALA C C 176.84 . . 1717 . 400 ALA CA C 51.25 . . 1718 . 400 ALA CB C 17.88 . . 1719 . 410 SER C C 175.22 . . 1720 . 410 SER CA C 60.47 . . 1721 . 410 SER CB C 62.63 . . 1722 . 411 MET H H 7.78 . . 1723 . 411 MET N N 122.07 . . 1724 . 411 MET C C 176.06 . . 1725 . 411 MET CA C 57.81 . . 1726 . 411 MET CB C 29.48 . . 1727 . 412 ARG H H 7.27 . . 1728 . 412 ARG N N 116.60 . . 1729 . 412 ARG C C 175.81 . . 1730 . 412 ARG CA C 55.70 . . 1731 . 412 ARG CB C 31.33 . . 1732 . 417 ALA C C 178.58 . . 1733 . 417 ALA CA C 54.35 . . 1734 . 417 ALA CB C 17.07 . . 1735 . 418 ASP H H 7.73 . . 1736 . 418 ASP N N 114.69 . . 1737 . 418 ASP C C 176.76 . . 1738 . 418 ASP CA C 57.76 . . 1739 . 418 ASP CB C 42.27 . . 1740 . 419 PHE H H 7.89 . . 1741 . 419 PHE N N 120.32 . . 1742 . 419 PHE C C 178.94 . . 1743 . 419 PHE CA C 62.34 . . 1744 . 419 PHE CB C 38.49 . . 1745 . 420 GLN H H 7.64 . . 1746 . 420 GLN N N 117.98 . . 1747 . 420 GLN C C 179.48 . . 1748 . 420 GLN CA C 57.42 . . 1749 . 420 GLN CB C 26.94 . . 1750 . 421 ALA H H 9.00 . . 1751 . 421 ALA N N 121.35 . . 1752 . 421 ALA C C 178.87 . . 1753 . 421 ALA CA C 53.85 . . 1754 . 421 ALA CB C 16.20 . . 1755 . 422 GLN H H 7.37 . . 1756 . 422 GLN N N 116.08 . . 1757 . 422 GLN C C 175.94 . . 1758 . 422 GLN CA C 55.36 . . 1759 . 422 GLN CB C 27.90 . . 1760 . 423 GLN H H 7.05 . . 1761 . 423 GLN N N 117.63 . . 1762 . 423 GLN C C 175.99 . . 1763 . 423 GLN CA C 57.42 . . 1764 . 423 GLN CB C 28.04 . . 1765 . 424 GLY H H 7.44 . . 1766 . 424 GLY N N 109.40 . . 1767 . 424 GLY C C 173.99 . . 1768 . 424 GLY CA C 43.97 . . 1769 . 425 LEU H H 7.05 . . 1770 . 425 LEU N N 122.06 . . 1771 . 425 LEU C C 178.08 . . 1772 . 425 LEU CA C 53.27 . . 1773 . 425 LEU CB C 39.85 . . 1774 . 426 ALA C C 178.85 . . 1775 . 426 ALA CA C 54.18 . . 1776 . 426 ALA CB C 17.08 . . 1777 . 427 ASP H H 8.45 . . 1778 . 427 ASP N N 113.14 . . 1779 . 427 ASP C C 175.91 . . 1780 . 427 ASP CA C 52.43 . . 1781 . 427 ASP CB C 39.27 . . 1782 . 428 LYS H H 7.36 . . 1783 . 428 LYS N N 124.03 . . 1784 . 428 LYS C C 173.27 . . 1785 . 428 LYS CA C 59.84 . . 1786 . 428 LYS CB C 28.64 . . 1787 . 429 PRO C C 179.63 . . 1788 . 429 PRO CA C 65.61 . . 1789 . 429 PRO CB C 29.59 . . 1790 . 430 LEU H H 6.85 . . 1791 . 430 LEU N N 122.73 . . 1792 . 430 LEU C C 178.44 . . 1793 . 430 LEU CA C 57.47 . . 1794 . 430 LEU CB C 40.72 . . 1795 . 431 ILE H H 8.34 . . 1796 . 431 ILE N N 124.09 . . 1797 . 431 ILE C C 177.60 . . 1798 . 431 ILE CA C 65.69 . . 1799 . 431 ILE CB C 37.38 . . 1800 . 432 ASP H H 8.28 . . 1801 . 432 ASP N N 122.00 . . 1802 . 432 ASP C C 180.06 . . 1803 . 432 ASP CA C 57.43 . . 1804 . 432 ASP CB C 38.63 . . 1805 . 433 LYS H H 7.92 . . 1806 . 433 LYS N N 125.88 . . 1807 . 433 LYS C C 179.82 . . 1808 . 433 LYS CA C 59.03 . . 1809 . 433 LYS CB C 31.46 . . 1810 . 434 GLU H H 8.57 . . 1811 . 434 GLU N N 122.89 . . 1812 . 434 GLU C C 178.17 . . 1813 . 434 GLU CA C 59.34 . . 1814 . 434 GLU CB C 27.52 . . 1815 . 435 ILE H H 8.70 . . 1816 . 435 ILE N N 124.07 . . 1817 . 435 ILE C C 177.04 . . 1818 . 435 ILE CA C 64.72 . . 1819 . 435 ILE CB C 37.57 . . 1820 . 436 GLY H H 7.49 . . 1821 . 436 GLY N N 128.40 . . 1822 . 436 GLY C C 177.05 . . 1823 . 436 GLY CA C 47.05 . . 1824 . 437 GLU H H 7.91 . . 1825 . 437 GLU N N 122.63 . . 1826 . 437 GLU C C 181.00 . . 1827 . 437 GLU CA C 58.54 . . 1828 . 437 GLU CB C 28.94 . . 1829 . 438 VAL H H 8.83 . . 1830 . 438 VAL N N 125.65 . . 1831 . 438 VAL C C 177.03 . . 1832 . 438 VAL CA C 64.93 . . 1833 . 438 VAL CB C 29.44 . . 1834 . 439 LEU H H 6.99 . . 1835 . 439 LEU N N 121.45 . . 1836 . 439 LEU C C 175.62 . . 1837 . 439 LEU CA C 56.58 . . 1838 . 439 LEU CB C 40.26 . . 1839 . 440 ALA H H 7.04 . . 1840 . 440 ALA N N 120.50 . . 1841 . 440 ALA C C 177.30 . . 1842 . 440 ALA CA C 50.33 . . 1843 . 440 ALA CB C 18.95 . . 1844 . 441 THR H H 7.22 . . 1845 . 441 THR N N 114.94 . . 1846 . 441 THR C C 174.60 . . 1847 . 441 THR CA C 62.33 . . 1848 . 441 THR CB C 69.58 . . 1849 . 444 GLU C C 178.10 . . 1850 . 444 GLU CA C 59.27 . . 1851 . 445 THR H H 8.05 . . 1852 . 445 THR N N 119.38 . . 1853 . 445 THR C C 177.47 . . 1854 . 445 THR CA C 66.12 . . 1855 . 445 THR CB C 67.21 . . 1856 . 446 GLN H H 8.26 . . 1857 . 446 GLN N N 126.45 . . 1858 . 446 GLN C C 178.15 . . 1859 . 446 GLN CA C 57.56 . . 1860 . 446 GLN CB C 27.25 . . 1861 . 447 ARG H H 8.33 . . 1862 . 447 ARG N N 122.99 . . 1863 . 447 ARG C C 177.54 . . 1864 . 447 ARG CA C 59.05 . . 1865 . 447 ARG CB C 30.56 . . 1866 . 448 GLN H H 8.22 . . 1867 . 448 GLN N N 118.28 . . 1868 . 448 GLN C C 178.92 . . 1869 . 448 GLN CA C 57.81 . . 1870 . 448 GLN CB C 27.93 . . 1871 . 449 ALA H H 7.96 . . 1872 . 449 ALA N N 126.38 . . 1873 . 449 ALA C C 180.78 . . 1874 . 449 ALA CA C 54.94 . . 1875 . 449 ALA CB C 16.90 . . 1876 . 450 LEU H H 8.04 . . 1877 . 450 LEU N N 123.68 . . 1878 . 450 LEU C C 179.15 . . 1879 . 450 LEU CA C 57.70 . . 1880 . 450 LEU CB C 40.97 . . 1881 . 451 TYR H H 8.19 . . 1882 . 451 TYR N N 118.96 . . 1883 . 451 TYR C C 178.46 . . 1884 . 451 TYR CA C 62.63 . . 1885 . 451 TYR CB C 37.30 . . 1886 . 452 ARG H H 8.52 . . 1887 . 452 ARG N N 119.15 . . 1888 . 452 ARG C C 178.93 . . 1889 . 452 ARG CA C 58.98 . . 1890 . 452 ARG CB C 28.18 . . 1891 . 453 ASP H H 8.03 . . 1892 . 453 ASP N N 125.04 . . 1893 . 453 ASP C C 177.48 . . 1894 . 453 ASP CA C 58.68 . . 1895 . 453 ASP CB C 41.43 . . 1896 . 454 ILE H H 8.48 . . 1897 . 454 ILE N N 120.06 . . 1898 . 454 ILE C C 177.56 . . 1899 . 454 ILE CA C 65.79 . . 1900 . 454 ILE CB C 39.42 . . 1901 . 455 LEU H H 8.59 . . 1902 . 455 LEU N N 117.09 . . 1903 . 455 LEU C C 180.83 . . 1904 . 455 LEU CA C 57.43 . . 1905 . 455 LEU CB C 39.38 . . 1906 . 456 THR H H 8.31 . . 1907 . 456 THR N N 119.76 . . 1908 . 456 THR C C 175.66 . . 1909 . 456 THR CA C 67.01 . . 1910 . 456 THR CB C 67.66 . . 1911 . 457 ARG H H 7.88 . . 1912 . 457 ARG N N 124.32 . . 1913 . 457 ARG C C 178.91 . . 1914 . 457 ARG CA C 59.91 . . 1915 . 457 ARG CB C 28.74 . . 1916 . 458 LEU H H 7.75 . . 1917 . 458 LEU N N 116.15 . . 1918 . 458 LEU C C 179.36 . . 1919 . 458 LEU CA C 57.33 . . 1920 . 458 LEU CB C 41.11 . . 1921 . 459 HIS H H 7.93 . . 1922 . 459 HIS N N 122.81 . . 1923 . 459 HIS C C 179.15 . . 1924 . 459 HIS CA C 60.00 . . 1925 . 460 ASP H H 9.47 . . 1926 . 460 ASP N N 124.80 . . 1927 . 460 ASP C C 179.18 . . 1928 . 460 ASP CA C 56.82 . . 1929 . 460 ASP CB C 39.16 . . 1930 . 461 GLU H H 7.85 . . 1931 . 461 GLU N N 117.19 . . 1932 . 461 GLU C C 175.74 . . 1933 . 461 GLU CA C 55.79 . . 1934 . 461 GLU CB C 28.63 . . 1935 . 462 ALA H H 7.87 . . 1936 . 462 ALA N N 124.40 . . 1937 . 462 ALA C C 174.52 . . 1938 . 462 ALA CA C 52.02 . . 1939 . 462 ALA CB C 15.53 . . 1940 . 463 VAL H H 6.65 . . 1941 . 463 VAL N N 115.63 . . 1942 . 463 VAL C C 172.19 . . 1943 . 463 VAL CA C 64.22 . . 1944 . 463 VAL CB C 31.47 . . 1945 . 464 TYR H H 7.71 . . 1946 . 464 TYR N N 113.73 . . 1947 . 464 TYR C C 174.85 . . 1948 . 464 TYR CA C 54.72 . . 1949 . 464 TYR CB C 40.14 . . 1950 . 465 LEU H H 8.92 . . 1951 . 465 LEU N N 126.48 . . 1952 . 465 LEU C C 173.71 . . 1953 . 465 LEU CA C 51.61 . . 1954 . 465 LEU CB C 43.02 . . 1955 . 466 PRO C C 174.32 . . 1956 . 466 PRO CA C 62.32 . . 1957 . 466 PRO CB C 30.18 . . 1958 . 467 ILE H H 8.40 . . 1959 . 467 ILE N N 123.02 . . 1960 . 467 ILE C C 173.55 . . 1961 . 467 ILE CA C 61.80 . . 1962 . 467 ILE CB C 38.34 . . 1963 . 468 SER H H 7.53 . . 1964 . 468 SER N N 112.21 . . 1965 . 468 SER C C 173.06 . . 1966 . 468 SER CA C 55.57 . . 1967 . 468 SER CB C 65.69 . . 1968 . 474 VAL H H 8.12 . . 1969 . 474 VAL N N 121.24 . . 1970 . 474 VAL C C 175.54 . . 1971 . 474 VAL CA C 59.87 . . 1972 . 474 VAL CB C 35.13 . . 1973 . 475 VAL H H 8.42 . . 1974 . 475 VAL N N 125.97 . . 1975 . 475 VAL C C 173.72 . . 1976 . 475 VAL CA C 59.52 . . 1977 . 475 VAL CB C 33.14 . . 1978 . 476 SER H H 9.42 . . 1979 . 476 SER N N 120.64 . . 1980 . 476 SER C C 174.74 . . 1981 . 476 SER CA C 57.00 . . 1982 . 476 SER CB C 65.20 . . 1983 . 477 LYS H H 7.93 . . 1984 . 477 LYS N N 124.09 . . 1985 . 477 LYS C C 177.40 . . 1986 . 477 LYS CA C 54.59 . . 1987 . 477 LYS CB C 31.20 . . 1988 . 478 PRO C C 178.26 . . 1989 . 478 PRO CA C 65.08 . . 1990 . 478 PRO CB C 31.05 . . 1991 . 479 GLU H H 9.74 . . 1992 . 479 GLU N N 120.11 . . 1993 . 479 GLU C C 176.50 . . 1994 . 479 GLU CA C 58.61 . . 1995 . 479 GLU CB C 27.50 . . 1996 . 480 LEU H H 7.51 . . 1997 . 480 LEU N N 119.93 . . 1998 . 480 LEU C C 175.63 . . 1999 . 480 LEU CA C 55.61 . . 2000 . 480 LEU CB C 40.64 . . 2001 . 481 GLY H H 7.48 . . 2002 . 481 GLY N N 106.32 . . 2003 . 481 GLY C C 172.70 . . 2004 . 481 GLY CA C 43.83 . . 2005 . 482 ASN H H 8.12 . . 2006 . 482 ASN N N 119.88 . . 2007 . 482 ASN C C 175.01 . . 2008 . 482 ASN CA C 53.22 . . 2009 . 482 ASN CB C 38.04 . . 2010 . 483 ILE H H 8.69 . . 2011 . 483 ILE N N 131.02 . . 2012 . 483 ILE C C 173.85 . . 2013 . 483 ILE CA C 55.94 . . 2014 . 483 ILE CB C 36.21 . . 2015 . 484 PRO C C 173.40 . . 2016 . 484 PRO CA C 61.52 . . 2017 . 484 PRO CB C 31.16 . . 2018 . 485 TYR H H 7.79 . . 2019 . 485 TYR N N 115.63 . . 2020 . 485 TYR C C 177.55 . . 2021 . 485 TYR CA C 56.33 . . 2022 . 485 TYR CB C 38.49 . . 2023 . 486 ALA H H 8.03 . . 2024 . 486 ALA N N 129.77 . . 2025 . 486 ALA C C 176.34 . . 2026 . 486 ALA CA C 49.34 . . 2027 . 486 ALA CB C 17.75 . . 2028 . 493 PRO C C 176.95 . . 2029 . 493 PRO CA C 61.78 . . 2030 . 493 PRO CB C 26.61 . . 2031 . 494 PHE H H 8.36 . . 2032 . 494 PHE N N 124.87 . . 2033 . 494 PHE C C 178.09 . . 2034 . 494 PHE CA C 62.06 . . 2035 . 494 PHE CB C 39.51 . . 2036 . 495 GLU H H 10.68 . . 2037 . 495 GLU N N 119.02 . . 2038 . 495 GLU C C 175.94 . . 2039 . 495 GLU CA C 58.07 . . 2040 . 495 GLU CB C 26.36 . . 2041 . 496 GLN H H 7.83 . . 2042 . 496 GLN N N 121.91 . . 2043 . 496 GLN C C 175.09 . . 2044 . 496 GLN CA C 54.88 . . 2045 . 496 GLN CB C 29.17 . . 2046 . 497 ILE H H 7.02 . . 2047 . 497 ILE N N 122.92 . . 2048 . 497 ILE C C 175.50 . . 2049 . 497 ILE CA C 62.54 . . 2050 . 497 ILE CB C 36.83 . . 2051 . 498 LYS H H 9.08 . . 2052 . 498 LYS N N 135.22 . . 2053 . 498 LYS C C 171.73 . . 2054 . 498 LYS CA C 52.72 . . 2055 . 498 LYS CB C 32.66 . . 2056 . 499 PRO C C 176.25 . . 2057 . 499 PRO CA C 62.19 . . 2058 . 500 VAL H H 8.03 . . 2059 . 500 VAL N N 122.01 . . 2060 . 500 VAL C C 175.40 . . 2061 . 500 VAL CA C 61.40 . . 2062 . 500 VAL CB C 32.08 . . 2063 . 501 LYS H H 8.08 . . 2064 . 501 LYS N N 128.31 . . 2065 . 501 LYS C C 173.64 . . 2066 . 501 LYS CA C 53.22 . . 2067 . 501 LYS CB C 31.66 . . stop_ save_