data_25368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shifts for Staphylococcus aureus EF-GC3, a truncated form of elongation factor G comprising domains III-V. ; _BMRB_accession_number 25368 _BMRB_flat_file_name bmr25368.str _Entry_type original _Submission_date 2014-11-26 _Accession_date 2014-11-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR backbone chemical shifts for domains III-V of Staphylococcus aureus elongation factor G' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomlinson Jennifer H. . 2 O'Neill Alex . . 3 Homans Steve W. . 4 Zhuravleva Anastasia . . 5 Kalverda Arnout P. . 6 Thompson Gary S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 234 "13C chemical shifts" 727 "15N chemical shifts" 234 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ _Original_release_date 2014-11-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A target-protection mechanism of antibiotic resistance at atomic resolution: insights into FusB-type fusidic acid resistance ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26781961 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomlinson Jennifer H. . 2 Thompson Gary S. . 3 Kalverda Arnout P. . 4 Zhuravleva Anastasia . . 5 O'Neill Alex J. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 6 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19524 _Page_last 19524 _Year 2016 _Details . loop_ _Keyword EF-G FusB allostery 'antibiotic resistance' 'fusidic acid' structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EF-GC3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EF-GC3 $EF-GC3 stop_ _System_molecular_weight 33424.6284 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Translocation factor for bacterial protein synthesis' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EF-GC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EF-GC3 _Molecular_mass 33424.6284 _Mol_thiol_state 'all free' loop_ _Biological_function 'Translocation factor for bacterial protein sysnthesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 301 _Mol_residue_sequence ; MEFPEPVIHLSVEPKSKADQ DKMTQALVKLQEEDPTFHAH TDEETGQVIIGGMGELHLDI LVDRMKKEFNVECNVGAPMV SYRETFKSSAQVQGKFSRQS GGRGQYGDVHIEFTPNETGA GFEFENAIVGGVVPREYIPS VEAGLKDAMENGVLAGYPLI DVKAKLYDGSYHDVDSSEMA FKIAASLALKEAAKKCDPVI LEPMMKVTIEMPEEYMGDIM GDVTSRRGRVDGMEPRGNAQ VVNAYVPLSEMFGYATSLRS NTQGRGTYTMYFDHYAEVPK SIAEDIIKKNKGELEHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 401 MET 2 402 GLU 3 403 PHE 4 404 PRO 5 405 GLU 6 406 PRO 7 407 VAL 8 408 ILE 9 409 HIS 10 410 LEU 11 411 SER 12 412 VAL 13 413 GLU 14 414 PRO 15 415 LYS 16 416 SER 17 417 LYS 18 418 ALA 19 419 ASP 20 420 GLN 21 421 ASP 22 422 LYS 23 423 MET 24 424 THR 25 425 GLN 26 426 ALA 27 427 LEU 28 428 VAL 29 429 LYS 30 430 LEU 31 431 GLN 32 432 GLU 33 433 GLU 34 434 ASP 35 435 PRO 36 436 THR 37 437 PHE 38 438 HIS 39 439 ALA 40 440 HIS 41 441 THR 42 442 ASP 43 443 GLU 44 444 GLU 45 445 THR 46 446 GLY 47 447 GLN 48 448 VAL 49 449 ILE 50 450 ILE 51 451 GLY 52 452 GLY 53 453 MET 54 454 GLY 55 455 GLU 56 456 LEU 57 457 HIS 58 458 LEU 59 459 ASP 60 460 ILE 61 461 LEU 62 462 VAL 63 463 ASP 64 464 ARG 65 465 MET 66 466 LYS 67 467 LYS 68 468 GLU 69 469 PHE 70 470 ASN 71 471 VAL 72 472 GLU 73 473 CYS 74 474 ASN 75 475 VAL 76 476 GLY 77 477 ALA 78 478 PRO 79 479 MET 80 480 VAL 81 481 SER 82 482 TYR 83 483 ARG 84 484 GLU 85 485 THR 86 486 PHE 87 487 LYS 88 488 SER 89 489 SER 90 490 ALA 91 491 GLN 92 492 VAL 93 493 GLN 94 494 GLY 95 495 LYS 96 496 PHE 97 497 SER 98 498 ARG 99 499 GLN 100 500 SER 101 501 GLY 102 502 GLY 103 503 ARG 104 504 GLY 105 505 GLN 106 506 TYR 107 507 GLY 108 508 ASP 109 509 VAL 110 510 HIS 111 511 ILE 112 512 GLU 113 513 PHE 114 514 THR 115 515 PRO 116 516 ASN 117 517 GLU 118 518 THR 119 519 GLY 120 520 ALA 121 521 GLY 122 522 PHE 123 523 GLU 124 524 PHE 125 525 GLU 126 526 ASN 127 527 ALA 128 528 ILE 129 529 VAL 130 530 GLY 131 531 GLY 132 532 VAL 133 533 VAL 134 534 PRO 135 535 ARG 136 536 GLU 137 537 TYR 138 538 ILE 139 539 PRO 140 540 SER 141 541 VAL 142 542 GLU 143 543 ALA 144 544 GLY 145 545 LEU 146 546 LYS 147 547 ASP 148 548 ALA 149 549 MET 150 550 GLU 151 551 ASN 152 552 GLY 153 553 VAL 154 554 LEU 155 555 ALA 156 556 GLY 157 557 TYR 158 558 PRO 159 559 LEU 160 560 ILE 161 561 ASP 162 562 VAL 163 563 LYS 164 564 ALA 165 565 LYS 166 566 LEU 167 567 TYR 168 568 ASP 169 569 GLY 170 570 SER 171 571 TYR 172 572 HIS 173 573 ASP 174 574 VAL 175 575 ASP 176 576 SER 177 577 SER 178 578 GLU 179 579 MET 180 580 ALA 181 581 PHE 182 582 LYS 183 583 ILE 184 584 ALA 185 585 ALA 186 586 SER 187 587 LEU 188 588 ALA 189 589 LEU 190 590 LYS 191 591 GLU 192 592 ALA 193 593 ALA 194 594 LYS 195 595 LYS 196 596 CYS 197 597 ASP 198 598 PRO 199 599 VAL 200 600 ILE 201 601 LEU 202 602 GLU 203 603 PRO 204 604 MET 205 605 MET 206 606 LYS 207 607 VAL 208 608 THR 209 609 ILE 210 610 GLU 211 611 MET 212 612 PRO 213 613 GLU 214 614 GLU 215 615 TYR 216 616 MET 217 617 GLY 218 618 ASP 219 619 ILE 220 620 MET 221 621 GLY 222 622 ASP 223 623 VAL 224 624 THR 225 625 SER 226 626 ARG 227 627 ARG 228 628 GLY 229 629 ARG 230 630 VAL 231 631 ASP 232 632 GLY 233 633 MET 234 634 GLU 235 635 PRO 236 636 ARG 237 637 GLY 238 638 ASN 239 639 ALA 240 640 GLN 241 641 VAL 242 642 VAL 243 643 ASN 244 644 ALA 245 645 TYR 246 646 VAL 247 647 PRO 248 648 LEU 249 649 SER 250 650 GLU 251 651 MET 252 652 PHE 253 653 GLY 254 654 TYR 255 655 ALA 256 656 THR 257 657 SER 258 658 LEU 259 659 ARG 260 660 SER 261 661 ASN 262 662 THR 263 663 GLN 264 664 GLY 265 665 ARG 266 666 GLY 267 667 THR 268 668 TYR 269 669 THR 270 670 MET 271 671 TYR 272 672 PHE 273 673 ASP 274 674 HIS 275 675 TYR 276 676 ALA 277 677 GLU 278 678 VAL 279 679 PRO 280 680 LYS 281 681 SER 282 682 ILE 283 683 ALA 284 684 GLU 285 685 ASP 286 686 ILE 287 687 ILE 288 688 LYS 289 689 LYS 290 690 ASN 291 691 LYS 292 692 GLY 293 693 GLU 294 694 LEU 295 695 GLU 296 696 HIS 297 697 HIS 298 698 HIS 299 699 HIS 300 700 HIS 301 701 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI P68790 EF-G . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $EF-GC3 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus fusA 'Truncated version of EF-G comprising domains III-V' 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 $EF-GC3 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 Gold' pET-29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM 15N 13C partially 2H (expressed in D2O with 1H glucose) EF-GC3 in 20 mM TrisHCl, 300 mM NaCl, 1 mM DTT, pH 8.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EF-GC3 0.3 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' TrisHCl 20 mM 'natural abundance' NaCl 300 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.1 loop_ _Task assignment stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CO)CA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC/HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_HNCACO_(H[N[ca[CO]]])_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACO (H[N[ca[CO]]])' _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_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNCOCACB_(H[N[co[{CA|ca[C]}]]])_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_standard_buffer _Saveframe_category sample_conditions _Details '20 mM TrisHCl, 300 mM NaCl, 1 mM DTT, 10 % D2O, pH 8.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.310 0.002 M pH 8.000 0.01 pH pressure 1.000 . atm temperature 273 . 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D HN(CO)CA' '3D HNCO' '2D 1H-15N HSQC/HMQC' 'HNCACO (H[N[ca[CO]]])' '3D HNCA' '3D HNCACB' 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $standard_buffer _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EF-GC3 _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 1 404 4 PRO C C 177.472 0.092 1 2 404 4 PRO CA C 62.818 0.046 1 3 404 4 PRO CB C 31.594 0.054 1 4 405 5 GLU H H 8.744 0.003 1 5 405 5 GLU C C 177.392 0.092 1 6 405 5 GLU CA C 59.231 0.046 1 7 405 5 GLU CB C 28.596 0.054 1 8 405 5 GLU N N 123.915 0.005 1 9 408 8 ILE C C 172.260 0.092 1 10 408 8 ILE CA C 58.536 0.046 1 11 409 9 HIS H H 8.644 0.002 1 12 409 9 HIS C C 173.918 0.003 1 13 409 9 HIS CA C 54.728 0.036 1 14 409 9 HIS CB C 33.713 0.028 1 15 409 9 HIS N N 123.149 0.006 1 16 410 10 LEU H H 8.953 0.003 1 17 410 10 LEU C C 174.799 0.047 1 18 410 10 LEU CA C 53.772 0.049 1 19 410 10 LEU CB C 45.594 0.025 1 20 410 10 LEU N N 118.545 0.01 1 21 411 11 SER H H 8.640 0.003 1 22 411 11 SER C C 173.923 0.005 1 23 411 11 SER CA C 56.642 0.017 1 24 411 11 SER CB C 65.017 0.116 1 25 411 11 SER N N 118.114 0.011 1 26 412 12 VAL H H 9.083 0.003 1 27 412 12 VAL C C 174.097 0.058 1 28 412 12 VAL CA C 60.383 0.001 1 29 412 12 VAL CB C 33.681 0.012 1 30 412 12 VAL N N 123.423 0.013 1 31 413 13 GLU H H 8.628 0.006 1 32 413 13 GLU C C 174.051 0.092 1 33 413 13 GLU CA C 51.518 0.046 1 34 413 13 GLU CB C 31.202 0.054 1 35 413 13 GLU N N 125.324 0.13 1 36 418 18 ALA C C 180.803 0.092 1 37 418 18 ALA CA C 54.301 0.046 1 38 418 18 ALA CB C 17.412 0.054 1 39 419 19 ASP H H 7.724 0.004 1 40 419 19 ASP C C 177.209 0.088 1 41 419 19 ASP CA C 57.284 0.003 1 42 419 19 ASP CB C 42.741 0.054 1 43 419 19 ASP N N 117.208 0.007 1 44 420 20 GLN H H 8.073 0.001 1 45 420 20 GLN C C 178.004 0.074 1 46 420 20 GLN CA C 59.050 0.046 1 47 420 20 GLN CB C 28.577 1.336 1 48 420 20 GLN N N 123.190 0.005 1 49 421 21 ASP H H 8.138 0.002 1 50 421 21 ASP C C 179.232 0.092 1 51 421 21 ASP CA C 57.033 0.006 1 52 421 21 ASP CB C 40.801 0.009 1 53 421 21 ASP N N 120.729 0.011 1 54 422 22 LYS H H 7.870 0.005 1 55 422 22 LYS C C 179.006 0.065 1 56 422 22 LYS CA C 59.289 0.018 1 57 422 22 LYS CB C 32.149 0.013 1 58 422 22 LYS N N 120.534 0.024 1 59 423 23 MET H H 8.567 0.003 1 60 423 23 MET C C 177.125 0.03 1 61 423 23 MET CA C 58.539 0.012 1 62 423 23 MET CB C 31.814 0.054 1 63 423 23 MET N N 121.145 0.009 1 64 424 24 THR H H 8.305 0.003 1 65 424 24 THR C C 176.729 0.184 1 66 424 24 THR CA C 66.372 0.01 1 67 424 24 THR CB C 68.668 0.016 1 68 424 24 THR N N 116.808 0.013 1 69 425 25 GLN H H 7.292 0.002 1 70 425 25 GLN C C 178.053 0.102 1 71 425 25 GLN CA C 57.784 0.004 1 72 425 25 GLN CB C 27.398 0.054 1 73 425 25 GLN N N 118.802 0.006 1 74 426 26 ALA H H 7.929 0.002 1 75 426 26 ALA C C 178.729 0.031 1 76 426 26 ALA CA C 53.927 0.007 1 77 426 26 ALA CB C 17.460 0.054 1 78 426 26 ALA N N 123.121 0.024 1 79 427 27 LEU H H 8.257 0.003 1 80 427 27 LEU C C 179.568 0.084 1 81 427 27 LEU CA C 57.553 0.008 1 82 427 27 LEU CB C 40.572 0.054 1 83 427 27 LEU N N 116.013 0.007 1 84 428 28 VAL H H 7.260 0.003 1 85 428 28 VAL CA C 65.816 0.018 1 86 428 28 VAL CB C 31.174 0.054 1 87 428 28 VAL N N 119.272 0.012 1 88 429 29 LYS H H 7.174 0.004 1 89 429 29 LYS C C 179.628 0.107 1 90 429 29 LYS CA C 57.661 0.021 1 91 429 29 LYS CB C 30.529 0.054 1 92 429 29 LYS N N 120.057 0.009 1 93 430 30 LEU H H 8.771 0.003 1 94 430 30 LEU C C 179.249 0.092 1 95 430 30 LEU CA C 57.685 0.046 1 96 430 30 LEU CB C 40.670 0.054 1 97 430 30 LEU N N 119.725 0.015 1 98 432 32 GLU H H 7.370 0.002 1 99 432 32 GLU C C 177.920 0.092 1 100 432 32 GLU CA C 58.111 0.029 1 101 432 32 GLU CB C 28.766 0.04 1 102 432 32 GLU N N 118.457 0.007 1 103 433 33 GLU H H 7.340 0.004 1 104 433 33 GLU C C 176.629 0.044 1 105 433 33 GLU CA C 57.154 0.086 1 106 433 33 GLU CB C 30.172 0.054 1 107 433 33 GLU N N 116.596 0.021 1 108 434 34 ASP H H 7.986 0.003 1 109 434 34 ASP C C 173.399 0.092 1 110 434 34 ASP CA C 49.891 0.046 1 111 434 34 ASP CB C 41.403 0.054 1 112 434 34 ASP N N 118.103 0.011 1 113 435 35 PRO C C 179.749 0.092 1 114 435 35 PRO CA C 65.032 0.046 1 115 435 35 PRO CB C 29.886 0.054 1 116 436 36 THR H H 7.329 0.003 1 117 436 36 THR C C 173.660 0.092 1 118 436 36 THR CA C 61.995 0.003 1 119 436 36 THR N N 114.977 0.008 1 120 437 37 PHE H H 7.245 0.003 1 121 437 37 PHE C C 173.524 0.042 1 122 437 37 PHE CA C 54.730 0.054 1 123 437 37 PHE CB C 40.612 0.054 1 124 437 37 PHE N N 121.032 0.011 1 125 438 38 HIS H H 8.556 0.006 1 126 438 38 HIS C C 173.197 0.014 1 127 438 38 HIS CA C 54.356 0.062 1 128 438 38 HIS CB C 33.638 0.009 1 129 438 38 HIS N N 123.886 0.013 1 130 439 39 ALA H H 7.858 0.007 1 131 439 39 ALA C C 175.343 0.071 1 132 439 39 ALA CA C 50.323 0.004 1 133 439 39 ALA CB C 21.837 0.054 1 134 439 39 ALA N N 124.829 0.008 1 135 440 40 HIS H H 8.616 0.003 1 136 440 40 HIS C C 173.338 0.092 1 137 440 40 HIS CA C 55.194 0.046 1 138 440 40 HIS CB C 32.265 0.054 1 139 440 40 HIS N N 121.428 0.015 1 140 441 41 THR C C 173.451 0.092 1 141 441 41 THR CA C 61.365 0.046 1 142 441 41 THR CB C 69.019 0.054 1 143 442 42 ASP H H 8.752 0.003 1 144 442 42 ASP C C 176.631 0.039 1 145 442 42 ASP CA C 53.171 0.001 1 146 442 42 ASP CB C 41.663 0.018 1 147 442 42 ASP N N 128.105 0.014 1 148 443 43 GLU H H 8.929 0.003 1 149 443 43 GLU C C 177.518 0.108 1 150 443 43 GLU CA C 58.243 0.061 1 151 443 43 GLU CB C 28.698 0.054 1 152 443 43 GLU N N 128.004 0.011 1 153 444 44 GLU H H 8.371 0.002 1 154 444 44 GLU C C 178.264 0.07 1 155 444 44 GLU CA C 58.036 0.064 1 156 444 44 GLU CB C 29.231 0.051 1 157 444 44 GLU N N 118.114 0.01 1 158 445 45 THR H H 7.773 0.003 1 159 445 45 THR C C 176.626 0.069 1 160 445 45 THR CA C 61.280 0.053 1 161 445 45 THR CB C 70.613 0.054 1 162 445 45 THR N N 106.873 0.014 1 163 446 46 GLY H H 8.266 0.003 1 164 446 46 GLY C C 173.312 0.044 1 165 446 46 GLY CA C 44.852 0.003 1 166 446 46 GLY N N 112.327 0.026 1 167 447 47 GLN H H 7.592 0.002 1 168 447 47 GLN C C 174.543 0.057 1 169 447 47 GLN CA C 55.859 0.021 1 170 447 47 GLN CB C 29.173 0.094 1 171 447 47 GLN N N 118.712 0.007 1 172 448 48 VAL H H 8.624 0.003 1 173 448 48 VAL C C 174.552 0.085 1 174 448 48 VAL CA C 60.744 0.014 1 175 448 48 VAL CB C 32.896 0.14 1 176 448 48 VAL N N 125.096 0.007 1 177 449 49 ILE H H 8.788 0.003 1 178 449 49 ILE C C 176.589 0.07 1 179 449 49 ILE CA C 58.517 0.001 1 180 449 49 ILE CB C 37.571 0.133 1 181 449 49 ILE N N 127.749 0.099 1 182 450 50 ILE H H 9.128 0.004 1 183 450 50 ILE C C 174.794 0.052 1 184 450 50 ILE CA C 58.514 0.014 1 185 450 50 ILE CB C 38.991 0.054 1 186 450 50 ILE N N 125.309 0.069 1 187 451 51 GLY H H 9.110 0.006 1 188 451 51 GLY C C 172.737 0.092 1 189 451 51 GLY CA C 44.013 0.018 1 190 451 51 GLY N N 110.847 0.014 1 191 452 52 GLY H H 8.412 0.005 1 192 452 52 GLY CA C 44.245 0.046 1 193 452 52 GLY N N 109.314 0.035 1 194 455 55 GLU H H 8.053 0.002 1 195 455 55 GLU C C 176.522 0.067 1 196 455 55 GLU CA C 55.919 0.004 1 197 455 55 GLU CB C 29.549 0.054 1 198 455 55 GLU N N 120.544 0.008 1 199 456 56 LEU H H 7.999 0.002 1 200 456 56 LEU C C 177.283 0.097 1 201 456 56 LEU CA C 54.787 0.004 1 202 456 56 LEU CB C 41.272 0.043 1 203 456 56 LEU N N 122.438 0.006 1 204 457 57 HIS H H 8.146 0.005 1 205 457 57 HIS C C 176.076 0.092 1 206 457 57 HIS CA C 56.044 0.046 1 207 457 57 HIS CB C 29.430 0.054 1 208 457 57 HIS N N 121.368 0.007 1 209 459 59 ASP H H 7.757 0.009 1 210 459 59 ASP C C 179.604 0.083 1 211 459 59 ASP CA C 57.068 0.005 1 212 459 59 ASP CB C 41.386 0.033 1 213 459 59 ASP N N 126.344 0.014 1 214 460 60 ILE H H 8.148 0.003 1 215 460 60 ILE C C 178.649 0.092 1 216 460 60 ILE CA C 64.010 0.068 1 217 460 60 ILE CB C 37.472 0.054 1 218 460 60 ILE N N 120.792 0.008 1 219 461 61 LEU H H 7.331 0.003 1 220 461 61 LEU C C 178.824 0.107 1 221 461 61 LEU CA C 57.853 0.014 1 222 461 61 LEU CB C 40.750 0.072 1 223 461 61 LEU N N 121.880 0.008 1 224 462 62 VAL H H 8.289 0.004 1 225 462 62 VAL C C 178.053 0.107 1 226 462 62 VAL CA C 66.246 0.044 1 227 462 62 VAL CB C 30.085 0.09 1 228 462 62 VAL N N 119.292 0.007 1 229 463 63 ASP H H 8.016 0.004 1 230 463 63 ASP C C 178.565 0.115 1 231 463 63 ASP CA C 57.355 0.056 1 232 463 63 ASP CB C 41.163 0.016 1 233 463 63 ASP N N 120.798 0.008 1 234 464 64 ARG H H 8.306 0.002 1 235 464 64 ARG C C 179.778 0.101 1 236 464 64 ARG CA C 59.743 0.035 1 237 464 64 ARG CB C 29.351 0.054 1 238 464 64 ARG N N 118.451 0.008 1 239 465 65 MET H H 8.322 0.003 1 240 465 65 MET C C 177.490 0.083 1 241 465 65 MET CA C 60.186 0.015 1 242 465 65 MET CB C 32.009 0.054 1 243 465 65 MET N N 119.763 0.01 1 244 466 66 LYS H H 7.932 0.003 1 245 466 66 LYS C C 178.963 0.092 1 246 466 66 LYS CA C 58.960 0.046 1 247 466 66 LYS N N 117.392 0.008 1 248 467 67 LYS H H 8.627 0.003 1 249 467 67 LYS C C 178.035 0.09 1 250 467 67 LYS CA C 58.238 0.054 1 251 467 67 LYS N N 117.563 0.022 1 252 468 68 GLU H H 8.585 0.002 1 253 468 68 GLU C C 177.562 0.071 1 254 468 68 GLU CA C 56.981 0.053 1 255 468 68 GLU CB C 28.712 0.026 1 256 468 68 GLU N N 118.525 0.009 1 257 469 69 PHE H H 6.998 0.003 1 258 469 69 PHE C C 174.779 0.055 1 259 469 69 PHE CA C 57.254 0.028 1 260 469 69 PHE N N 113.279 0.009 1 261 470 70 ASN H H 6.986 0.005 1 262 470 70 ASN C C 173.567 0.016 1 263 470 70 ASN CA C 54.001 0.046 1 264 470 70 ASN CB C 36.458 0.054 1 265 470 70 ASN N N 114.590 0.017 1 266 471 71 VAL H H 7.959 0.002 1 267 471 71 VAL C C 175.392 0.08 1 268 471 71 VAL CA C 62.272 0.003 1 269 471 71 VAL CB C 32.184 0.054 1 270 471 71 VAL N N 119.049 0.008 1 271 472 72 GLU H H 8.614 0.003 1 272 472 72 GLU C C 175.757 0.092 1 273 472 72 GLU CA C 54.986 0.046 1 274 472 72 GLU CB C 28.324 0.054 1 275 472 72 GLU N N 129.313 0.013 1 276 475 75 VAL C C 176.380 0.092 1 277 475 75 VAL CA C 60.690 0.046 1 278 475 75 VAL CB C 33.722 0.054 1 279 476 76 GLY H H 8.606 0.002 1 280 476 76 GLY C C 171.590 0.092 1 281 476 76 GLY CA C 43.607 0.017 1 282 476 76 GLY N N 115.011 0.026 1 283 477 77 ALA H H 7.918 0.003 1 284 477 77 ALA C C 176.069 0.092 1 285 477 77 ALA CA C 49.005 0.046 1 286 477 77 ALA CB C 16.955 0.054 1 287 477 77 ALA N N 121.445 0.008 1 288 481 81 SER C C 173.714 0.092 1 289 481 81 SER CA C 56.127 0.046 1 290 481 81 SER CB C 62.445 0.054 1 291 482 82 TYR H H 6.468 0.005 1 292 482 82 TYR C C 174.507 0.042 1 293 482 82 TYR CA C 58.928 0.02 1 294 482 82 TYR CB C 38.149 0.048 1 295 482 82 TYR N N 124.441 0.07 1 296 483 83 ARG H H 8.515 0.003 1 297 483 83 ARG C C 173.321 0.015 1 298 483 83 ARG CA C 52.254 0.048 1 299 483 83 ARG CB C 34.884 0.024 1 300 483 83 ARG N N 119.313 0.013 1 301 484 84 GLU H H 8.647 0.002 1 302 484 84 GLU C C 175.793 0.02 1 303 484 84 GLU CA C 53.944 0.019 1 304 484 84 GLU CB C 33.213 0.131 1 305 484 84 GLU N N 120.500 0.01 1 306 485 85 THR H H 8.431 0.003 1 307 485 85 THR C C 172.779 0.002 1 308 485 85 THR CA C 61.470 0.032 1 309 485 85 THR CB C 69.401 0.288 1 310 485 85 THR N N 112.197 0.013 1 311 486 86 PHE H H 7.684 0.002 1 312 486 86 PHE C C 175.738 0.056 1 313 486 86 PHE CA C 52.345 0.02 1 314 486 86 PHE CB C 40.582 0.007 1 315 486 86 PHE N N 118.303 0.008 1 316 487 87 LYS H H 7.852 0.003 1 317 487 87 LYS C C 176.804 0.088 1 318 487 87 LYS CA C 55.599 0.026 1 319 487 87 LYS CB C 31.783 0.002 1 320 487 87 LYS N N 116.912 0.007 1 321 488 88 SER H H 8.229 0.003 1 322 488 88 SER C C 171.061 0.052 1 323 488 88 SER CA C 56.388 0.013 1 324 488 88 SER CB C 65.690 0.16 1 325 488 88 SER N N 117.917 0.019 1 326 489 89 SER H H 8.011 0.002 1 327 489 89 SER C C 174.724 0.01 1 328 489 89 SER CA C 56.145 0.021 1 329 489 89 SER CB C 66.484 0.345 1 330 489 89 SER N N 113.790 0.024 1 331 490 90 ALA H H 8.496 0.002 1 332 490 90 ALA C C 175.401 0.038 1 333 490 90 ALA CA C 52.307 0.027 1 334 490 90 ALA CB C 23.053 0.054 1 335 490 90 ALA N N 121.795 0.009 1 336 491 91 GLN H H 8.348 0.003 1 337 491 91 GLN C C 175.583 0.058 1 338 491 91 GLN CA C 54.816 0.013 1 339 491 91 GLN CB C 28.484 0.188 1 340 491 91 GLN N N 119.960 0.008 1 341 492 92 VAL H H 8.961 0.003 1 342 492 92 VAL C C 172.756 0.018 1 343 492 92 VAL CA C 58.875 0.008 1 344 492 92 VAL CB C 35.537 0.058 1 345 492 92 VAL N N 116.726 0.023 1 346 493 93 GLN H H 8.229 0.003 1 347 493 93 GLN C C 175.598 0.07 1 348 493 93 GLN CA C 52.666 0.052 1 349 493 93 GLN CB C 29.969 0.026 1 350 493 93 GLN N N 122.109 0.008 1 351 494 94 GLY H H 8.976 0.001 1 352 494 94 GLY C C 170.457 0.017 1 353 494 94 GLY CA C 44.333 0.018 1 354 494 94 GLY N N 113.649 0.01 1 355 495 95 LYS H H 8.416 0.002 1 356 495 95 LYS C C 173.328 0.053 1 357 495 95 LYS CA C 54.425 0.011 1 358 495 95 LYS CB C 33.436 0.115 1 359 495 95 LYS N N 126.488 0.011 1 360 496 96 PHE H H 8.755 0.003 1 361 496 96 PHE C C 172.251 0.028 1 362 496 96 PHE CA C 54.793 0.02 1 363 496 96 PHE CB C 41.373 0.196 1 364 496 96 PHE N N 128.519 0.019 1 365 497 97 SER H H 7.885 0.002 1 366 497 97 SER C C 173.104 0.003 1 367 497 97 SER CA C 55.101 0.051 1 368 497 97 SER CB C 63.741 0.077 1 369 497 97 SER N N 120.237 0.007 1 370 498 98 ARG H H 7.832 0.003 1 371 498 98 ARG C C 174.222 0.092 1 372 498 98 ARG CA C 54.396 0.046 1 373 498 98 ARG CB C 32.465 0.054 1 374 498 98 ARG N N 125.149 0.017 1 375 502 102 GLY C C 173.376 0.092 1 376 502 102 GLY CA C 44.478 0.046 1 377 503 103 ARG H H 7.572 0.002 1 378 503 103 ARG C C 175.005 0.04 1 379 503 103 ARG CA C 54.188 0.015 1 380 503 103 ARG CB C 31.292 0.054 1 381 503 103 ARG N N 119.620 0.01 1 382 504 104 GLY H H 8.392 0.002 1 383 504 104 GLY C C 172.795 0.037 1 384 504 104 GLY CA C 44.404 0.017 1 385 504 104 GLY N N 111.589 0.026 1 386 505 105 GLN H H 8.026 0.002 1 387 505 105 GLN C C 175.788 0.012 1 388 505 105 GLN CA C 54.113 0.012 1 389 505 105 GLN CB C 32.206 0.059 1 390 505 105 GLN N N 118.124 0.009 1 391 506 106 TYR H H 7.079 0.003 1 392 506 106 TYR C C 174.799 0.058 1 393 506 106 TYR CA C 57.072 0.02 1 394 506 106 TYR CB C 41.500 0.032 1 395 506 106 TYR N N 122.125 0.007 1 396 507 107 GLY H H 8.505 0.002 1 397 507 107 GLY C C 169.238 0.092 1 398 507 107 GLY CA C 43.823 0.013 1 399 507 107 GLY N N 119.171 0.009 1 400 508 108 ASP H H 6.128 0.003 1 401 508 108 ASP C C 174.190 0.023 1 402 508 108 ASP CA C 53.404 0.035 1 403 508 108 ASP CB C 42.093 0.054 1 404 508 108 ASP N N 124.319 0.024 1 405 509 109 VAL H H 8.722 0.002 1 406 509 109 VAL C C 172.994 0.092 1 407 509 109 VAL CA C 57.811 0.003 1 408 509 109 VAL CB C 34.884 0.06 1 409 509 109 VAL N N 116.289 0.009 1 410 510 110 HIS H H 8.073 0.002 1 411 510 110 HIS C C 174.354 0.028 1 412 510 110 HIS CA C 54.566 0.015 1 413 510 110 HIS CB C 30.172 0.054 1 414 510 110 HIS N N 122.474 0.008 1 415 511 111 ILE H H 9.039 0.002 1 416 511 111 ILE C C 174.075 0.003 1 417 511 111 ILE CA C 57.797 0.046 1 418 511 111 ILE CB C 41.739 0.054 1 419 511 111 ILE N N 122.385 0.006 1 420 512 112 GLU H H 9.280 0.002 1 421 512 112 GLU C C 175.866 0.064 1 422 512 112 GLU CA C 53.471 0.011 1 423 512 112 GLU N N 127.750 0.024 1 424 513 113 PHE H H 9.254 0.005 1 425 513 113 PHE C C 175.135 0.028 1 426 513 113 PHE CA C 56.777 0.041 1 427 513 113 PHE CB C 42.287 0.111 1 428 513 113 PHE N N 130.155 0.01 1 429 514 114 THR H H 9.023 0.003 1 430 514 114 THR C C 171.477 0.092 1 431 514 114 THR CA C 58.421 0.046 1 432 514 114 THR CB C 72.530 0.054 1 433 514 114 THR N N 116.182 0.007 1 434 515 115 PRO C C 176.473 0.092 1 435 515 115 PRO CA C 63.317 0.046 1 436 515 115 PRO CB C 31.181 0.054 1 437 516 116 ASN H H 8.562 0.003 1 438 516 116 ASN C C 175.296 0.019 1 439 516 116 ASN CA C 47.944 0.003 1 440 516 116 ASN CB C 39.294 0.038 1 441 516 116 ASN N N 123.253 0.007 1 442 517 117 GLU H H 7.737 0.003 1 443 517 117 GLU C C 175.726 0.081 1 444 517 117 GLU CA C 55.771 0.025 1 445 517 117 GLU CB C 29.367 0.043 1 446 517 117 GLU N N 120.892 0.007 1 447 518 118 THR H H 8.252 0.003 1 448 518 118 THR C C 176.604 0.044 1 449 518 118 THR CA C 63.856 0.02 1 450 518 118 THR CB C 68.676 0.024 1 451 518 118 THR N N 119.902 0.007 1 452 519 119 GLY H H 9.708 0.004 1 453 519 119 GLY C C 174.724 0.092 1 454 519 119 GLY CA C 44.900 0.022 1 455 519 119 GLY N N 118.929 0.021 1 456 520 120 ALA H H 8.154 0.003 1 457 520 120 ALA C C 178.577 0.115 1 458 520 120 ALA CA C 52.533 0.025 1 459 520 120 ALA CB C 19.495 0.328 1 460 520 120 ALA N N 123.614 0.009 1 461 521 121 GLY H H 8.688 0.002 1 462 521 121 GLY C C 173.442 0.092 1 463 521 121 GLY CA C 44.700 0.024 1 464 521 121 GLY N N 108.386 0.024 1 465 522 122 PHE H H 8.462 0.003 1 466 522 122 PHE C C 175.753 0.043 1 467 522 122 PHE CA C 55.470 0.047 1 468 522 122 PHE CB C 39.791 0.144 1 469 522 122 PHE N N 122.821 0.006 1 470 523 123 GLU H H 7.090 0.003 1 471 523 123 GLU C C 172.065 0.015 1 472 523 123 GLU CA C 54.386 0.011 1 473 523 123 GLU CB C 33.186 0.032 1 474 523 123 GLU N N 128.157 0.021 1 475 524 124 PHE H H 8.448 0.003 1 476 524 124 PHE C C 173.642 0.012 1 477 524 124 PHE CA C 55.208 0.026 1 478 524 124 PHE CB C 41.287 0.086 1 479 524 124 PHE N N 125.760 0.01 1 480 525 125 GLU H H 8.289 0.002 1 481 525 125 GLU C C 173.134 0.01 1 482 525 125 GLU CA C 53.523 0.029 1 483 525 125 GLU CB C 31.922 0.032 1 484 525 125 GLU N N 129.504 0.021 1 485 526 126 ASN H H 8.689 0.004 1 486 526 126 ASN C C 174.386 0.033 1 487 526 126 ASN CA C 51.570 0.037 1 488 526 126 ASN CB C 37.584 0.133 1 489 526 126 ASN N N 123.809 0.008 1 490 527 127 ALA H H 8.662 0.004 1 491 527 127 ALA C C 176.191 0.072 1 492 527 127 ALA CA C 49.770 0.023 1 493 527 127 ALA CB C 18.677 0.045 1 494 527 127 ALA N N 131.701 0.022 1 495 528 128 ILE H H 7.667 0.003 1 496 528 128 ILE C C 176.552 0.068 1 497 528 128 ILE CA C 58.894 0.013 1 498 528 128 ILE CB C 34.438 0.062 1 499 528 128 ILE N N 120.429 0.009 1 500 529 129 VAL H H 8.974 0.007 1 501 529 129 VAL C C 177.100 0.092 1 502 529 129 VAL CA C 60.461 0.046 1 503 529 129 VAL CB C 33.453 0.054 1 504 529 129 VAL N N 129.184 0.017 1 505 531 131 GLY C C 175.853 0.092 1 506 531 131 GLY CA C 45.346 0.046 1 507 532 132 VAL H H 6.603 0.002 1 508 532 132 VAL C C 176.342 0.036 1 509 532 132 VAL CA C 65.056 0.051 1 510 532 132 VAL CB C 30.263 0.054 1 511 532 132 VAL N N 111.677 0.009 1 512 533 133 VAL H H 5.969 0.003 1 513 533 133 VAL C C 173.395 0.092 1 514 533 133 VAL CA C 59.777 0.046 1 515 553 133 VAL CB C 33.957 0.054 1 516 533 133 VAL N N 113.831 0.033 1 517 534 134 PRO C C 176.716 0.092 1 518 534 134 PRO CA C 62.208 0.046 1 519 534 134 PRO CB C 31.244 0.054 1 520 535 135 ARG H H 8.221 0.006 1 521 535 135 ARG C C 178.503 0.075 1 522 535 135 ARG CA C 58.526 0.007 1 523 535 135 ARG CB C 28.874 0.054 1 524 535 135 ARG N N 123.828 0.008 1 525 536 136 GLU H H 9.454 0.004 1 526 536 136 GLU C C 177.214 0.085 1 527 536 136 GLU CA C 57.857 0.052 1 528 536 136 GLU CB C 27.483 0.063 1 529 536 136 GLU N N 118.177 0.033 1 530 537 137 TYR H H 7.582 0.002 1 531 537 137 TYR C C 176.032 0.057 1 532 537 137 TYR CA C 55.725 0.06 1 533 537 137 TYR CB C 38.003 0.043 1 534 537 137 TYR N N 117.274 0.009 1 535 538 138 ILE H H 7.296 0.004 1 536 538 138 ILE C C 175.543 0.092 1 537 538 138 ILE CA C 65.991 0.046 1 538 538 138 ILE CB C 33.541 0.054 1 539 538 138 ILE N N 122.252 0.007 1 540 540 140 SER C C 175.796 0.092 1 541 540 140 SER CA C 61.903 0.046 1 542 541 141 VAL H H 7.717 0.004 1 543 541 141 VAL C C 176.875 0.094 1 544 541 141 VAL CA C 65.505 0.063 1 545 541 141 VAL CB C 30.425 0.038 1 546 541 141 VAL N N 123.584 0.011 1 547 542 142 GLU H H 7.026 0.004 1 548 542 142 GLU C C 177.455 0.082 1 549 542 142 GLU CA C 59.906 0.043 1 550 542 142 GLU CB C 27.854 0.054 1 551 542 142 GLU N N 119.739 0.009 1 552 543 143 ALA H H 8.123 0.007 1 553 543 143 ALA C C 180.127 0.075 1 554 543 143 ALA CA C 54.289 0.001 1 555 543 143 ALA CB C 17.742 0.054 1 556 543 143 ALA N N 119.636 0.009 1 557 544 144 GLY H H 8.494 0.003 1 558 544 144 GLY C C 176.613 0.04 1 559 544 144 GLY CA C 46.362 0.034 1 560 544 144 GLY N N 106.244 0.033 1 561 545 145 LEU H H 8.095 0.005 1 562 545 145 LEU C C 177.496 0.105 1 563 545 145 LEU CA C 57.058 0.011 1 564 545 145 LEU CB C 41.300 0.077 1 565 545 145 LEU N N 122.330 0.008 1 566 546 146 LYS H H 8.066 0.002 1 567 546 146 LYS C C 179.578 0.091 1 568 546 146 LYS CA C 59.783 0.006 1 569 546 146 LYS CB C 30.282 0.054 1 570 546 146 LYS N N 120.305 0.007 1 571 547 147 ASP H H 8.131 0.002 1 572 547 147 ASP C C 178.141 0.106 1 573 547 147 ASP CA C 56.447 0.005 1 574 547 147 ASP CB C 40.158 0.089 1 575 547 147 ASP N N 119.061 0.007 1 576 548 148 ALA H H 7.594 0.004 1 577 548 148 ALA C C 181.179 0.092 1 578 548 148 ALA CA C 53.988 0.004 1 579 548 148 ALA CB C 17.434 0.033 1 580 548 148 ALA N N 121.343 0.156 1 581 549 149 MET H H 8.694 0.003 1 582 549 149 MET C C 178.001 0.096 1 583 549 149 MET CA C 59.316 0.031 1 584 549 149 MET CB C 31.260 0.03 1 585 549 149 MET N N 118.706 0.009 1 586 550 150 GLU H H 7.253 0.003 1 587 550 150 GLU C C 175.971 0.077 1 588 550 150 GLU CA C 58.327 0.003 1 589 550 150 GLU CB C 28.495 0.054 1 590 550 150 GLU N N 119.274 0.01 1 591 551 151 ASN H H 6.814 0.003 1 592 551 151 ASN C C 175.271 0.012 1 593 551 151 ASN CA C 52.963 0.031 1 594 551 151 ASN CB C 39.299 0.048 1 595 551 151 ASN N N 113.008 0.032 1 596 552 152 GLY H H 6.941 0.003 1 597 552 152 GLY C C 175.248 0.092 1 598 552 152 GLY CA C 45.045 0.046 1 599 552 152 GLY N N 105.540 0.033 1 600 555 155 ALA C C 175.430 0.092 1 601 555 155 ALA CA C 49.977 0.046 1 602 555 155 ALA CB C 20.915 0.054 1 603 556 156 GLY H H 7.591 0.003 1 604 556 156 GLY CA C 44.799 0.031 1 605 556 156 GLY N N 106.239 0.015 1 606 557 157 TYR H H 8.101 0.002 1 607 557 157 TYR C C 170.758 0.092 1 608 557 157 TYR CA C 55.034 0.046 1 609 557 157 TYR CB C 37.145 0.054 1 610 557 157 TYR N N 123.213 0.008 1 611 558 158 PRO C C 175.876 0.092 1 612 558 158 PRO CA C 63.016 0.046 1 613 558 158 PRO CB C 29.343 0.054 1 614 559 159 LEU H H 7.912 0.004 1 615 559 159 LEU C C 176.747 0.074 1 616 559 159 LEU CA C 53.382 0.057 1 617 559 159 LEU CB C 43.126 0.169 1 618 559 159 LEU N N 124.859 0.008 1 619 560 160 ILE H H 8.973 0.003 1 620 560 160 ILE C C 175.093 0.068 1 621 560 160 ILE CA C 58.333 0.013 1 622 560 160 ILE CB C 42.491 0.054 1 623 560 160 ILE N N 119.666 0.009 1 624 561 161 ASP H H 8.197 0.004 1 625 561 161 ASP C C 175.077 0.034 1 626 561 161 ASP CA C 54.866 0.004 1 627 561 161 ASP CB C 38.318 0.041 1 628 561 161 ASP N N 117.049 0.01 1 629 562 162 VAL H H 7.152 0.002 1 630 562 162 VAL C C 172.953 0.04 1 631 562 162 VAL CA C 60.726 0.03 1 632 562 162 VAL CB C 36.277 0.087 1 633 562 162 VAL N N 116.858 0.02 1 634 563 163 LYS H H 9.172 0.002 1 635 563 163 LYS C C 174.546 0.064 1 636 563 163 LYS CA C 54.061 0.002 1 637 563 163 LYS CB C 32.818 0.032 1 638 563 163 LYS N N 123.891 0.007 1 639 564 164 ALA H H 8.609 0.003 1 640 564 164 ALA C C 174.013 0.052 1 641 564 164 ALA CA C 49.201 0.007 1 642 564 164 ALA CB C 22.919 0.054 1 643 564 164 ALA N N 124.317 0.008 1 644 565 165 LYS H H 8.626 0.003 1 645 565 165 LYS C C 175.188 0.057 1 646 565 165 LYS CA C 53.041 0.055 1 647 565 165 LYS CB C 33.384 0.054 1 648 565 165 LYS N N 124.319 0.01 1 649 566 166 LEU H H 8.414 0.002 1 650 566 166 LEU C C 174.537 0.056 1 651 566 166 LEU CA C 54.284 0.006 1 652 566 166 LEU CB C 43.045 0.055 1 653 566 166 LEU N N 131.581 0.013 1 654 567 167 TYR H H 8.333 0.002 1 655 567 167 TYR C C 173.090 0.012 1 656 567 167 TYR CA C 55.602 0.03 1 657 567 167 TYR CB C 40.038 0.028 1 658 567 167 TYR N N 123.286 0.01 1 659 568 168 ASP H H 7.615 0.004 1 660 568 168 ASP C C 173.163 0.034 1 661 568 168 ASP CA C 52.261 0.041 1 662 568 168 ASP CB C 41.721 0.028 1 663 568 168 ASP N N 122.528 0.008 1 664 569 169 GLY H H 9.081 0.001 1 665 569 169 GLY C C 170.198 0.021 1 666 569 169 GLY CA C 45.400 0.077 1 667 569 169 GLY N N 107.195 0.042 1 668 570 170 SER H H 8.612 0.003 1 669 570 170 SER C C 171.635 0.024 1 670 570 170 SER CA C 59.314 0.03 1 671 570 170 SER CB C 65.697 0.011 1 672 570 170 SER N N 112.279 0.014 1 673 571 171 TYR H H 8.221 0.002 1 674 571 171 TYR C C 171.438 0.008 1 675 571 171 TYR CA C 55.413 0.046 1 676 571 171 TYR CB C 41.270 0.081 1 677 571 171 TYR N N 113.313 0.024 1 678 572 172 HIS H H 9.030 0.004 1 679 572 172 HIS C C 175.542 0.092 1 680 572 172 HIS CA C 55.401 0.046 1 681 572 172 HIS CB C 33.510 0.054 1 682 572 172 HIS N N 124.276 0.174 1 683 574 174 VAL H H 8.956 0.007 1 684 574 174 VAL C C 177.985 0.064 1 685 574 174 VAL CA C 63.458 0.054 1 686 574 174 VAL CB C 33.661 0.054 1 687 574 174 VAL N N 120.031 0.014 1 688 575 175 ASP H H 9.603 0.011 1 689 575 175 ASP C C 178.465 0.092 1 690 575 175 ASP CA C 55.172 0.016 1 691 575 175 ASP CB C 39.831 0.14 1 692 575 175 ASP N N 120.809 0.006 1 693 576 176 SER H H 8.338 0.006 1 694 576 176 SER C C 171.846 0.041 1 695 576 176 SER CA C 60.335 0.016 1 696 576 176 SER CB C 65.354 0.275 1 697 576 176 SER N N 117.918 0.006 1 698 577 177 SER H H 6.922 0.002 1 699 577 177 SER C C 173.835 0.038 1 700 577 177 SER CA C 56.476 0.046 1 701 577 177 SER CB C 66.423 0.178 1 702 577 177 SER N N 112.557 0.01 1 703 578 178 GLU H H 9.430 0.003 1 704 578 178 GLU C C 179.530 0.092 1 705 578 178 GLU CA C 57.435 0.046 1 706 578 178 GLU N N 121.824 0.004 1 707 579 179 MET H H 8.061 0.001 1 708 579 179 MET C C 177.691 0.031 1 709 579 179 MET CA C 57.709 0.046 1 710 579 179 MET CB C 28.648 0.054 1 711 579 179 MET N N 117.983 0.01 1 712 580 180 ALA H H 8.099 0.002 1 713 580 180 ALA C C 179.785 0.157 1 714 580 180 ALA CA C 54.392 0.02 1 715 580 180 ALA CB C 17.524 0.061 1 716 580 180 ALA N N 120.611 0.007 1 717 581 181 PHE H H 7.611 0.003 1 718 581 181 PHE C C 177.462 0.079 1 719 581 181 PHE CA C 63.477 0.029 1 720 581 181 PHE CB C 38.759 0.023 1 721 581 181 PHE N N 115.839 0.013 1 722 582 182 LYS H H 8.151 0.003 1 723 582 182 LYS C C 179.765 0.098 1 724 582 182 LYS CA C 60.253 0.022 1 725 582 182 LYS CB C 31.414 0.027 1 726 582 182 LYS N N 122.270 0.007 1 727 583 183 ILE H H 8.039 0.003 1 728 583 183 ILE C C 179.143 0.132 1 729 583 183 ILE CA C 64.000 0.046 1 730 583 183 ILE CB C 36.162 0.028 1 731 583 183 ILE N N 120.248 0.017 1 732 584 184 ALA H H 8.208 0.005 1 733 584 184 ALA C C 178.619 0.082 1 734 584 184 ALA CA C 55.545 0.007 1 735 584 184 ALA CB C 16.105 0.162 1 736 584 184 ALA N N 123.829 0.009 1 737 585 185 ALA H H 7.872 0.003 1 738 585 185 ALA C C 178.623 0.102 1 739 585 185 ALA CA C 55.076 0.046 1 740 585 185 ALA CB C 18.717 0.043 1 741 585 185 ALA N N 118.673 0.007 1 742 586 186 SER H H 7.497 0.003 1 743 586 186 SER C C 176.959 0.092 1 744 586 186 SER CA C 61.191 0.035 1 745 586 186 SER CB C 63.254 0.054 1 746 586 186 SER N N 114.158 0.034 1 747 587 187 LEU H H 8.221 0.004 1 748 587 187 LEU C C 179.905 0.124 1 749 587 187 LEU CA C 56.981 0.052 1 750 587 187 LEU CB C 40.124 0.126 1 751 587 187 LEU N N 123.179 0.009 1 752 588 188 ALA H H 8.140 0.003 1 753 588 188 ALA C C 178.807 0.089 1 754 588 188 ALA CA C 54.248 0.005 1 755 588 188 ALA CB C 16.404 0.054 1 756 588 188 ALA N N 123.021 0.007 1 757 589 189 LEU H H 7.707 0.003 1 758 589 189 LEU C C 177.823 0.102 1 759 589 189 LEU CA C 57.080 0.032 1 760 589 189 LEU CB C 40.162 0.15 1 761 589 189 LEU N N 119.014 0.007 1 762 590 190 LYS H H 7.606 0.003 1 763 590 190 LYS C C 179.777 0.112 1 764 590 190 LYS CA C 59.122 0.022 1 765 590 190 LYS CB C 31.112 0.068 1 766 590 190 LYS N N 118.240 0.006 1 767 591 191 GLU H H 7.801 0.003 1 768 591 191 GLU C C 179.797 0.083 1 769 591 191 GLU CA C 57.754 0.033 1 770 591 191 GLU CB C 28.167 0.152 1 771 591 191 GLU N N 119.357 0.007 1 772 592 192 ALA H H 8.451 0.004 1 773 592 192 ALA C C 179.089 0.102 1 774 592 192 ALA CA C 54.086 0.023 1 775 592 192 ALA CB C 17.940 0.054 1 776 592 192 ALA N N 123.614 0.01 1 777 593 193 ALA H H 7.971 0.002 1 778 593 193 ALA C C 177.368 0.036 1 779 593 193 ALA CA C 54.324 0.003 1 780 593 193 ALA CB C 17.473 0.079 1 781 593 193 ALA N N 120.036 0.008 1 782 594 194 LYS H H 6.958 0.005 1 783 594 194 LYS C C 177.588 0.09 1 784 594 194 LYS CA C 56.956 0.075 1 785 594 194 LYS CB C 32.460 0.009 1 786 594 194 LYS N N 112.572 0.009 1 787 595 195 LYS H H 7.073 0.002 1 788 595 195 LYS C C 177.299 0.104 1 789 595 195 LYS CA C 55.873 0.022 1 790 595 195 LYS CB C 35.789 0.121 1 791 595 195 LYS N N 116.123 0.01 1 792 596 196 CYS H H 7.532 0.002 1 793 596 196 CYS C C 173.208 0.023 1 794 596 196 CYS CA C 60.605 0.014 1 795 596 196 CYS CB C 26.342 0.271 1 796 596 196 CYS N N 114.812 0.007 1 797 597 197 ASP H H 8.432 0.002 1 798 597 197 ASP C C 171.271 0.092 1 799 597 197 ASP CA C 54.370 0.046 1 800 597 197 ASP CB C 40.097 0.054 1 801 597 197 ASP N N 118.522 0.013 1 802 598 198 PRO C C 176.565 0.092 1 803 598 198 PRO CA C 61.732 0.046 1 804 598 198 PRO CB C 31.195 0.054 1 805 599 199 VAL H H 8.620 0.003 1 806 599 199 VAL C C 173.895 0.008 1 807 599 199 VAL CA C 58.511 0.012 1 808 599 199 VAL CB C 35.826 0.026 1 809 599 199 VAL N N 113.998 0.021 1 810 600 200 ILE H H 8.727 0.005 1 811 600 200 ILE C C 174.588 0.032 1 812 600 200 ILE CA C 59.681 0.032 1 813 600 200 ILE CB C 37.504 0.182 1 814 600 200 ILE N N 120.699 0.008 1 815 601 201 LEU H H 9.354 0.003 1 816 601 201 LEU C C 175.774 0.092 1 817 601 201 LEU CA C 51.867 0.043 1 818 601 201 LEU CB C 45.515 0.085 1 819 601 201 LEU N N 125.710 0.012 1 820 602 202 GLU H H 9.905 0.005 1 821 602 202 GLU C C 173.118 0.092 1 822 662 202 GLU CA C 50.643 0.046 1 823 602 202 GLU CB C 31.193 0.054 1 824 602 202 GLU N N 118.805 0.010 1 825 603 203 PRO C C 175.870 0.092 1 826 603 203 PRO CA C 62.959 0.046 1 827 604 204 MET H H 9.288 0.001 1 828 604 204 MET C C 174.306 0.032 1 829 604 204 MET CA C 52.245 0.041 1 830 604 204 MET CB C 30.301 0.054 1 831 604 204 MET N N 126.726 0.095 1 832 605 205 MET H H 8.525 0.002 1 833 605 205 MET C C 175.796 0.061 1 834 605 205 MET CA C 51.415 0.043 1 835 605 205 MET CB C 29.908 0.02 1 836 605 205 MET N N 122.184 0.011 1 837 606 206 LYS H H 9.145 0.006 1 838 606 206 LYS C C 175.331 0.055 1 839 606 206 LYS CA C 55.190 0.014 1 840 606 206 LYS CB C 32.731 0.315 1 841 606 206 LYS N N 124.631 0.023 1 842 607 207 VAL H H 9.211 0.005 1 843 607 207 VAL C C 174.192 0.03 1 844 607 207 VAL CA C 60.142 0.036 1 845 607 207 VAL CB C 33.405 0.259 1 846 607 207 VAL N N 131.887 0.023 1 847 608 208 THR H H 8.704 0.004 1 848 608 208 THR C C 174.275 0.06 1 849 608 208 THR CA C 61.040 0.049 1 850 608 208 THR CB C 70.504 0.054 1 851 608 208 THR N N 124.905 0.008 1 852 609 209 ILE H H 9.340 0.003 1 853 609 209 ILE C C 173.769 0.042 1 854 609 209 ILE CA C 60.182 0.012 1 855 609 209 ILE CB C 41.163 0.011 1 856 609 209 ILE N N 130.704 0.023 1 857 610 210 GLU H H 8.981 0.003 1 858 610 210 GLU C C 174.928 0.052 1 859 610 210 GLU CA C 54.048 0.028 1 860 610 210 GLU CB C 31.205 0.001 1 861 610 210 GLU N N 127.978 0.02 1 862 611 211 MET H H 8.958 0.004 1 863 611 211 MET C C 171.817 0.092 1 864 611 211 MET CA C 53.183 0.046 1 865 611 211 MET CB C 31.226 0.054 1 866 611 211 MET N N 124.363 0.009 1 867 614 214 GLU H H 9.621 0.004 1 868 614 214 GLU C C 176.789 0.064 1 869 614 214 GLU CA C 57.709 0.001 1 870 614 214 GLU CB C 27.572 0.054 1 871 614 214 GLU N N 119.336 0.027 1 872 615 215 TYR H H 7.435 0.003 1 873 615 215 TYR C C 175.665 0.047 1 874 615 215 TYR CA C 56.406 0.051 1 875 615 215 TYR CB C 38.564 0.054 1 876 615 215 TYR N N 118.579 0.007 1 877 616 216 MET H H 7.699 0.005 1 878 616 216 MET C C 177.220 0.086 1 879 616 216 MET CA C 59.293 0.044 1 880 616 216 MET CB C 32.490 0.033 1 881 616 216 MET N N 120.655 0.027 1 882 617 217 GLY H H 8.760 0.006 1 883 617 217 GLY C C 177.153 0.092 1 884 617 217 GLY CA C 46.776 0.046 1 885 617 217 GLY N N 107.819 0.002 1 886 618 218 ASP H H 7.929 0.003 1 887 618 218 ASP C C 178.834 0.092 1 888 618 218 ASP CA C 56.235 0.035 1 889 618 218 ASP CB C 39.944 0.005 1 890 618 218 ASP N N 123.115 0.011 1 891 619 219 ILE H H 8.031 0.003 1 892 619 219 ILE C C 179.144 0.151 1 893 619 219 ILE CA C 61.539 0.02 1 894 619 219 ILE CB C 35.125 0.047 1 895 619 219 ILE N N 122.093 0.007 1 896 620 220 MET H H 8.754 0.003 1 897 620 220 MET C C 178.668 0.075 1 898 620 220 MET CA C 58.925 0.026 1 899 660 220 MET CB C 31.250 0.027 1 900 620 220 MET N N 121.451 0.008 1 901 621 221 GLY H H 8.102 0.001 1 902 621 221 GLY C C 176.200 0.078 1 903 621 221 GLY CA C 46.434 0.039 1 904 621 221 GLY N N 107.284 0.02 1 905 622 222 ASP H H 7.661 0.003 1 906 622 222 ASP C C 177.988 0.074 1 907 622 222 ASP CA C 56.971 0.038 1 908 622 222 ASP CB C 41.800 0.062 1 909 622 222 ASP N N 123.120 0.008 1 910 623 223 VAL H H 7.999 0.004 1 911 623 223 VAL C C 178.824 0.092 1 912 623 223 VAL CA C 67.212 0.046 1 913 623 223 VAL CB C 30.026 0.119 1 914 623 223 VAL N N 119.775 0.008 1 915 624 224 THR H H 7.956 0.005 1 916 624 224 THR C C 178.370 0.092 1 917 624 224 THR CA C 65.616 0.003 1 918 624 224 THR CB C 68.613 0.038 1 919 624 224 THR N N 115.074 0.03 1 920 625 225 SER H H 8.053 0.003 1 921 625 225 SER C C 174.708 0.092 1 922 625 225 SER CA C 60.983 0.038 1 923 625 225 SER CB C 63.074 0.312 1 924 625 225 SER N N 120.543 0.007 1 925 626 226 ARG H H 7.190 0.003 1 926 626 226 ARG C C 172.290 0.021 1 927 626 226 ARG CA C 55.193 0.027 1 928 626 226 ARG CB C 28.715 0.046 1 929 626 226 ARG N N 123.555 0.007 1 930 627 227 ARG H H 7.356 0.004 1 931 627 227 ARG C C 175.736 0.058 1 932 627 227 ARG CA C 56.933 0.027 1 933 627 227 ARG CB C 26.227 0.018 1 934 627 227 ARG N N 107.486 0.058 1 935 628 228 GLY H H 7.859 0.002 1 936 628 228 GLY C C 172.864 0.013 1 937 628 228 GLY CA C 44.154 0.012 1 938 628 228 GLY N N 103.848 0.022 1 939 629 229 ARG H H 8.658 0.002 1 940 629 229 ARG C C 174.716 0.032 1 941 629 229 ARG CA C 53.710 0.015 1 942 629 229 ARG CB C 32.435 0.064 1 943 629 229 ARG N N 117.779 0.012 1 944 630 230 VAL H H 8.898 0.003 1 945 630 230 VAL C C 175.199 0.042 1 946 630 230 VAL CA C 62.687 0.014 1 947 630 230 VAL CB C 31.615 0.056 1 948 630 230 VAL N N 125.211 0.015 1 949 631 231 ASP H H 9.256 0.005 1 950 631 231 ASP C C 175.414 0.11 1 951 631 231 ASP CA C 54.365 0.015 1 952 631 231 ASP CB C 43.882 0.166 1 953 631 231 ASP N N 130.847 0.011 1 954 632 232 GLY H H 7.633 0.002 1 955 632 232 GLY C C 170.859 0.092 1 956 632 232 GLY CA C 44.911 0.012 1 957 632 232 GLY N N 106.290 0.014 1 958 633 233 MET H H 8.144 0.002 1 959 633 233 MET C C 174.787 0.057 1 960 633 233 MET CA C 54.083 0.017 1 961 633 233 MET CB C 34.982 0.028 1 962 633 233 MET N N 119.215 0.01 1 963 634 234 GLU H H 8.839 0.003 1 964 634 234 GLU C C 172.610 0.092 1 965 634 234 GLU CA C 52.723 0.046 1 966 634 234 GLU CB C 31.274 0.054 1 967 634 234 GLU N N 122.363 0.012 1 968 638 238 ASN C C 174.031 0.092 1 969 638 238 ASN CA C 52.769 0.046 1 970 638 238 ASN CB C 37.787 0.054 1 971 639 239 ALA H H 7.961 0.002 1 972 639 239 ALA C C 175.898 0.091 1 973 639 239 ALA CA C 50.305 0.042 1 974 639 239 ALA CB C 20.948 0.055 1 975 639 239 ALA N N 124.129 0.008 1 976 640 240 GLN H H 8.603 0.003 1 977 640 240 GLN C C 173.958 0.025 1 978 640 240 GLN CA C 54.052 0.018 1 979 640 240 GLN CB C 31.039 0.082 1 980 640 240 GLN N N 119.469 0.04 1 981 641 241 VAL H H 8.612 0.003 1 982 641 241 VAL C C 175.794 0.07 1 983 641 241 VAL CA C 60.049 0.018 1 984 641 241 VAL CB C 32.384 0.115 1 985 641 241 VAL N N 121.150 0.006 1 986 642 242 VAL H H 9.508 0.003 1 987 642 242 VAL C C 173.975 0.041 1 988 642 242 VAL CA C 60.293 0.09 1 989 642 242 VAL CB C 33.497 0.153 1 990 642 242 VAL N N 127.492 0.016 1 991 643 243 ASN H H 8.553 0.003 1 992 643 243 ASN C C 173.729 0.041 1 993 643 243 ASN CA C 51.695 0.027 1 994 643 243 ASN CB C 40.690 0.195 1 995 643 243 ASN N N 124.992 0.012 1 996 644 244 ALA H H 9.305 0.003 1 997 644 244 ALA C C 174.391 0.088 1 998 644 244 ALA CA C 49.588 0.009 1 999 644 244 ALA CB C 22.493 0.005 1 1000 644 244 ALA N N 126.840 0.007 1 1001 645 245 TYR H H 8.642 0.004 1 1002 645 245 TYR C C 175.516 0.079 1 1003 645 245 TYR CA C 56.389 0.024 1 1004 645 245 TYR CB C 39.989 0.072 1 1005 645 245 TYR N N 119.510 0.013 1 1006 646 246 VAL H H 8.794 0.001 1 1007 646 246 VAL C C 173.387 0.092 1 1008 646 246 VAL CA C 58.117 0.046 1 1009 646 246 VAL CB C 36.808 0.054 1 1010 646 246 VAL N N 123.294 0.007 1 1011 649 249 SER C C 174.938 0.092 1 1012 649 249 SER CA C 59.836 0.046 1 1013 649 249 SER CB C 62.423 0.054 1 1014 650 250 GLU H H 7.175 0.003 1 1015 650 250 GLU C C 177.155 0.08 1 1016 650 250 GLU CA C 54.305 0.013 1 1017 650 250 GLU CB C 29.500 0.013 1 1018 650 250 GLU N N 118.947 0.008 1 1019 651 251 MET H H 7.531 0.003 1 1020 651 251 MET C C 177.908 0.119 1 1021 651 251 MET CA C 52.736 0.015 1 1022 651 251 MET CB C 30.222 0.054 1 1023 651 251 MET N N 117.103 0.007 1 1024 652 252 PHE H H 7.461 0.003 1 1025 652 252 PHE C C 177.717 0.092 1 1026 652 252 PHE CA C 58.953 0.046 1 1027 652 252 PHE CB C 36.476 0.054 1 1028 652 252 PHE N N 123.218 0.008 1 1029 656 256 THR C C 176.340 0.092 1 1030 656 256 THR CA C 65.257 0.046 1 1031 656 256 THR CB C 67.902 0.054 1 1032 657 257 SER H H 7.172 0.003 1 1033 657 257 SER C C 175.920 0.092 1 1034 657 257 SER CA C 60.744 0.013 1 1035 657 257 SER CB C 63.008 0.178 1 1036 657 257 SER N N 119.593 0.009 1 1037 658 258 LEU H H 8.330 0.002 1 1038 658 258 LEU C C 180.384 0.073 1 1039 658 258 LEU CA C 56.993 0.029 1 1040 658 258 LEU CB C 39.966 0.018 1 1041 658 258 LEU N N 123.015 0.006 1 1042 659 259 ARG H H 7.702 0.004 1 1043 659 259 ARG C C 179.106 0.116 1 1044 659 259 ARG CA C 59.567 0.005 1 1045 659 259 ARG CB C 28.569 0.155 1 1046 659 259 ARG N N 121.580 0.01 1 1047 660 260 SER H H 7.756 0.004 1 1048 660 260 SER C C 176.894 0.092 1 1049 660 260 SER CA C 60.835 0.053 1 1050 660 260 SER CB C 62.538 0.192 1 1051 660 260 SER N N 114.817 0.007 1 1052 661 261 ASN H H 8.237 0.004 1 1053 661 261 ASN C C 175.832 0.041 1 1054 661 261 ASN CA C 53.980 0.018 1 1055 661 261 ASN CB C 38.686 0.009 1 1056 661 261 ASN N N 117.910 0.007 1 1057 662 262 THR H H 7.162 0.003 1 1058 662 262 THR C C 173.787 0.092 1 1059 662 262 THR CA C 59.322 0.025 1 1060 662 262 THR CB C 69.700 0.257 1 1061 662 262 THR N N 104.902 0.033 1 1062 663 263 GLN H H 7.524 0.003 1 1063 663 263 GLN C C 176.510 0.047 1 1064 663 263 GLN CA C 56.266 0.002 1 1065 663 263 GLN CB C 25.481 0.07 1 1066 663 263 GLN N N 119.176 0.091 1 1067 664 264 GLY H H 8.733 0.006 1 1068 664 264 GLY C C 175.118 0.092 1 1069 664 264 GLY CA C 45.206 0.059 1 1070 664 264 GLY N N 103.222 0.012 1 1071 665 265 ARG H H 7.712 0.002 1 1072 665 265 ARG C C 177.232 0.1 1 1073 665 265 ARG CA C 56.264 0.036 1 1074 665 265 ARG CB C 31.211 0.054 1 1075 665 265 ARG N N 118.542 0.008 1 1076 666 266 GLY H H 8.335 0.003 1 1077 666 266 GLY C C 172.593 0.092 1 1078 666 266 GLY CA C 43.628 0.008 1 1079 666 266 GLY N N 106.251 0.012 1 1080 667 267 THR H H 9.074 0.002 1 1081 667 267 THR C C 171.845 0.019 1 1082 667 267 THR CA C 60.104 0.056 1 1083 667 267 THR CB C 72.457 0.054 1 1084 667 267 THR N N 115.004 0.019 1 1085 668 268 TYR H H 8.395 0.007 1 1086 668 268 TYR C C 173.461 0.04 1 1087 668 268 TYR CA C 55.512 0.003 1 1088 668 268 TYR CB C 41.529 0.191 1 1089 668 268 TYR N N 118.226 0.008 1 1090 669 269 THR H H 8.504 0.003 1 1091 669 269 THR C C 172.596 0.01 1 1092 669 269 THR CA C 59.716 0.055 1 1093 669 269 THR CB C 72.450 0.054 1 1094 669 269 THR N N 112.756 0.023 1 1095 670 270 MET H H 8.250 0.005 1 1096 670 270 MET C C 173.135 0.011 1 1097 670 270 MET CA C 54.134 0.03 1 1098 670 270 MET CB C 36.489 0.071 1 1099 670 270 MET N N 119.157 0.007 1 1100 671 271 TYR H H 8.346 0.002 1 1101 671 271 TYR C C 174.621 0.024 1 1102 671 271 TYR CA C 55.648 0.001 1 1103 671 271 TYR CB C 41.325 0.127 1 1104 671 271 TYR N N 119.429 0.026 1 1105 672 272 PHE H H 9.244 0.004 1 1106 672 272 PHE C C 173.822 0.016 1 1107 672 272 PHE CA C 59.558 0.068 1 1108 672 272 PHE CB C 38.563 0.114 1 1109 672 272 PHE N N 125.467 0.01 1 1110 673 273 ASP H H 8.012 0.003 1 1111 673 273 ASP CA C 55.684 0.003 1 1112 673 273 ASP CB C 46.871 0.062 1 1113 673 273 ASP N N 129.386 0.018 1 1114 674 274 HIS H H 6.937 0.005 1 1115 674 274 HIS C C 172.138 0.007 1 1116 674 274 HIS CA C 55.876 0.032 1 1117 674 274 HIS CB C 28.613 0.054 1 1118 674 274 HIS N N 111.372 0.017 1 1119 675 275 TYR H H 8.810 0.004 1 1120 675 275 TYR C C 175.449 0.067 1 1121 675 275 TYR CA C 58.136 0.02 1 1122 675 275 TYR CB C 40.115 0.115 1 1123 675 275 TYR N N 119.719 0.007 1 1124 676 276 ALA H H 8.992 0.003 1 1125 676 276 ALA C C 176.273 0.062 1 1126 676 276 ALA CA C 49.834 0.013 1 1127 676 276 ALA CB C 23.571 0.046 1 1128 676 276 ALA N N 123.833 0.009 1 1129 677 277 GLU H H 8.799 0.003 1 1130 677 277 GLU C C 177.392 0.07 1 1131 677 277 GLU CA C 56.715 0.009 1 1132 677 277 GLU CB C 29.266 0.06 1 1133 677 277 GLU N N 122.944 0.088 1 1134 678 278 VAL H H 8.645 0.004 1 1135 678 278 VAL C C 173.953 0.092 1 1136 678 278 VAL CA C 59.564 0.046 1 1137 678 278 VAL CB C 31.679 0.054 1 1138 678 278 VAL N N 127.531 0.066 1 1139 681 281 SER C C 176.625 0.092 1 1140 681 281 SER CA C 60.784 0.046 1 1141 681 281 SER CB C 61.778 0.054 1 1142 682 282 ILE H H 6.863 0.003 1 1143 682 282 ILE C C 177.761 0.094 1 1144 682 282 ILE CA C 62.871 0.03 1 1145 682 282 ILE CB C 37.335 0.048 1 1146 682 282 ILE N N 123.299 0.032 1 1147 683 283 ALA H H 8.274 0.002 1 1148 683 283 ALA C C 178.995 0.072 1 1149 683 283 ALA CA C 55.001 0.019 1 1150 683 283 ALA CB C 17.460 0.065 1 1151 683 283 ALA N N 123.743 0.008 1 1152 684 284 GLU H H 8.138 0.001 1 1153 684 284 GLU C C 178.806 0.072 1 1154 684 284 GLU CA C 58.946 0.021 1 1155 684 284 GLU CB C 28.481 0.138 1 1156 684 284 GLU N N 114.998 0.022 1 1157 685 285 ASP H H 7.164 0.004 1 1158 685 285 ASP C C 178.139 0.099 1 1159 685 285 ASP CA C 56.782 0.078 1 1160 685 285 ASP CB C 40.555 0.041 1 1161 685 285 ASP N N 119.817 0.007 1 1162 686 286 ILE H H 7.840 0.003 1 1163 686 286 ILE C C 178.212 0.092 1 1164 686 286 ILE CA C 64.878 0.002 1 1165 686 286 ILE CB C 37.561 0.116 1 1166 686 286 ILE N N 122.346 0.009 1 1167 687 287 ILE H H 8.351 0.004 1 1168 687 287 ILE C C 178.270 0.073 1 1169 687 287 ILE CA C 65.127 0.023 1 1170 687 287 ILE CB C 37.780 0.004 1 1171 687 287 ILE N N 120.555 0.009 1 1172 688 288 LYS H H 7.809 0.003 1 1173 688 288 LYS C C 179.010 0.124 1 1174 688 288 LYS CA C 58.924 0.092 1 1175 688 288 LYS CB C 31.847 0.171 1 1176 688 288 LYS N N 119.149 0.086 1 1177 689 289 LYS H H 7.919 0.002 1 1178 689 289 LYS C C 178.213 0.054 1 1179 689 289 LYS CA C 58.084 0.028 1 1180 689 289 LYS CB C 31.238 0.054 1 1181 689 289 LYS N N 119.745 0.007 1 1182 690 290 ASN H H 7.914 0.002 1 1183 690 290 ASN C C 176.103 0.04 1 1184 690 290 ASN CA C 53.938 0.029 1 1185 690 290 ASN CB C 37.985 0.128 1 1186 690 290 ASN N N 118.292 0.006 1 1187 691 291 LYS H H 7.934 0.005 1 1188 691 291 LYS C C 177.448 0.058 1 1189 691 291 LYS CA C 56.502 0.009 1 1190 691 291 LYS CB C 31.944 0.033 1 1191 691 291 LYS N N 120.039 0.007 1 1192 692 292 GLY H H 8.003 0.002 1 1193 692 292 GLY C C 177.418 0.092 1 1194 692 292 GLY CA C 45.040 0.046 1 1195 692 292 GLY N N 108.931 0.018 1 stop_ save_