data_18791 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific backbone 1H, 13C and 15N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc ; _BMRB_accession_number 18791 _BMRB_flat_file_name bmr18791.str _Entry_type new _Submission_date 2012-10-15 _Accession_date 2012-10-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR Assignment' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Temel Deniz . . 2 Dutta Kaushik . . 3 Ghose Ranajeet . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 "13C chemical shifts" 702 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-29 original author . stop_ _Original_release_date 2013-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific backbone (1)H, (13)C and (15)N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23225198 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Temel Deniz B. . 2 Dutta Kaushik . . 3 Ghose Ranajeet . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . loop_ _Keyword 'Bacterial Tyrosine Kinase' 'BY Kinase' NMR Phosphorylation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name WzcCD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label WzcCD $WzcCD stop_ _System_molecular_weight 32500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function phosphorylation stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WzcCD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WzcCD _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Bacterial Tyrosine KInase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 295 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSLFNRGIESPQVLEEHGIS VYASIPLSEWQKARDSVKTI KGIKRYKQSQLLAVGNPTDL AIEAIRSLRTSLHFAMMQAQ NNVLMMTGVSPSIGKTFVCA NLAAVISQTNKRVLLIDCDM RKGYTHELLGTNNVNGLSEI LIGQGDITTAAKPTSIAKFD LIPRGQVPPNPSELLMSERF AELVNWASKNYDLVLIDTPP ILAVTDAAIVGRHVGTTLMV ARYAVNTLKEVETSLSRFEQ NGIPVKGVILNSIFRRASAY QDYGYYEYEYKSDAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 426 MET 2 427 GLY 3 428 SER 4 429 SER 5 430 HIS 6 431 HIS 7 432 HIS 8 433 HIS 9 434 HIS 10 435 HIS 11 436 SER 12 437 SER 13 438 GLY 14 439 LEU 15 440 VAL 16 441 PRO 17 442 ARG 18 443 GLY 19 444 SER 20 445 HIS 21 446 MET 22 447 SER 23 448 LEU 24 449 PHE 25 450 ASN 26 451 ARG 27 452 GLY 28 453 ILE 29 454 GLU 30 455 SER 31 456 PRO 32 457 GLN 33 458 VAL 34 459 LEU 35 460 GLU 36 461 GLU 37 462 HIS 38 463 GLY 39 464 ILE 40 465 SER 41 466 VAL 42 467 TYR 43 468 ALA 44 469 SER 45 470 ILE 46 471 PRO 47 472 LEU 48 473 SER 49 474 GLU 50 475 TRP 51 476 GLN 52 477 LYS 53 478 ALA 54 479 ARG 55 480 ASP 56 481 SER 57 482 VAL 58 483 LYS 59 484 THR 60 485 ILE 61 486 LYS 62 487 GLY 63 488 ILE 64 489 LYS 65 490 ARG 66 491 TYR 67 492 LYS 68 493 GLN 69 494 SER 70 495 GLN 71 496 LEU 72 497 LEU 73 498 ALA 74 499 VAL 75 500 GLY 76 501 ASN 77 502 PRO 78 503 THR 79 504 ASP 80 505 LEU 81 506 ALA 82 507 ILE 83 508 GLU 84 509 ALA 85 510 ILE 86 511 ARG 87 512 SER 88 513 LEU 89 514 ARG 90 515 THR 91 516 SER 92 517 LEU 93 518 HIS 94 519 PHE 95 520 ALA 96 521 MET 97 522 MET 98 523 GLN 99 524 ALA 100 525 GLN 101 526 ASN 102 527 ASN 103 528 VAL 104 529 LEU 105 530 MET 106 531 MET 107 532 THR 108 533 GLY 109 534 VAL 110 535 SER 111 536 PRO 112 537 SER 113 538 ILE 114 539 GLY 115 540 LYS 116 541 THR 117 542 PHE 118 543 VAL 119 544 CYS 120 545 ALA 121 546 ASN 122 547 LEU 123 548 ALA 124 549 ALA 125 550 VAL 126 551 ILE 127 552 SER 128 553 GLN 129 554 THR 130 555 ASN 131 556 LYS 132 557 ARG 133 558 VAL 134 559 LEU 135 560 LEU 136 561 ILE 137 562 ASP 138 563 CYS 139 564 ASP 140 565 MET 141 566 ARG 142 567 LYS 143 568 GLY 144 569 TYR 145 570 THR 146 571 HIS 147 572 GLU 148 573 LEU 149 574 LEU 150 575 GLY 151 576 THR 152 577 ASN 153 578 ASN 154 579 VAL 155 580 ASN 156 581 GLY 157 582 LEU 158 583 SER 159 584 GLU 160 585 ILE 161 586 LEU 162 587 ILE 163 588 GLY 164 589 GLN 165 590 GLY 166 591 ASP 167 592 ILE 168 593 THR 169 594 THR 170 595 ALA 171 596 ALA 172 597 LYS 173 598 PRO 174 599 THR 175 600 SER 176 601 ILE 177 602 ALA 178 603 LYS 179 604 PHE 180 605 ASP 181 606 LEU 182 607 ILE 183 608 PRO 184 609 ARG 185 610 GLY 186 611 GLN 187 612 VAL 188 613 PRO 189 614 PRO 190 615 ASN 191 616 PRO 192 617 SER 193 618 GLU 194 619 LEU 195 620 LEU 196 621 MET 197 622 SER 198 623 GLU 199 624 ARG 200 625 PHE 201 626 ALA 202 627 GLU 203 628 LEU 204 629 VAL 205 630 ASN 206 631 TRP 207 632 ALA 208 633 SER 209 634 LYS 210 635 ASN 211 636 TYR 212 637 ASP 213 638 LEU 214 639 VAL 215 640 LEU 216 641 ILE 217 642 ASP 218 643 THR 219 644 PRO 220 645 PRO 221 646 ILE 222 647 LEU 223 648 ALA 224 649 VAL 225 650 THR 226 651 ASP 227 652 ALA 228 653 ALA 229 654 ILE 230 655 VAL 231 656 GLY 232 657 ARG 233 658 HIS 234 659 VAL 235 660 GLY 236 661 THR 237 662 THR 238 663 LEU 239 664 MET 240 665 VAL 241 666 ALA 242 667 ARG 243 668 TYR 244 669 ALA 245 670 VAL 246 671 ASN 247 672 THR 248 673 LEU 249 674 LYS 250 675 GLU 251 676 VAL 252 677 GLU 253 678 THR 254 679 SER 255 680 LEU 256 681 SER 257 682 ARG 258 683 PHE 259 684 GLU 260 685 GLN 261 686 ASN 262 687 GLY 263 688 ILE 264 689 PRO 265 690 VAL 266 691 LYS 267 692 GLY 268 693 VAL 269 694 ILE 270 695 LEU 271 696 ASN 272 697 SER 273 698 ILE 274 699 PHE 275 700 ARG 276 701 ARG 277 702 ALA 278 703 SER 279 704 ALA 280 705 TYR 281 706 GLN 282 707 ASP 283 708 TYR 284 709 GLY 285 710 TYR 286 711 TYR 287 712 GLU 288 713 TYR 289 714 GLU 290 715 TYR 291 716 LYS 292 717 SER 293 718 ASP 294 719 ALA 295 720 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 DBJ BAA15913 "protein-tyrosine kinase [Escherichia coli str. K12 substr. W3110]" 92.88 720 100.00 100.00 0.00e+00 DBJ BAB36288 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 92.88 732 100.00 100.00 0.00e+00 DBJ BAG11866 "protein-tyrosine kinase [Escherichia coli O55:H7]" 92.88 720 99.64 100.00 0.00e+00 DBJ BAG11924 "protein-tyrosine kinase Wzc [Escherichia coli O55:H7]" 92.88 720 99.64 100.00 0.00e+00 DBJ BAG11980 "protein-tyrosine kinase Wzc [Escherichia coli O55:H6]" 92.88 720 99.64 100.00 0.00e+00 EMBL CAP76567 "Tyrosine-protein kinase wzc [Escherichia coli LF82]" 92.88 720 99.64 99.64 0.00e+00 EMBL CAQ32472 "tyrosine kinase involved in colanic acid biosynthesis, subunit of capsular polysaccharide export apparatus [Escherichia coli BL" 92.88 720 99.64 99.64 0.00e+00 EMBL CAQ89647 "protein-tyrosine kinase [Escherichia fergusonii ATCC 35469]" 92.88 720 99.27 99.64 0.00e+00 EMBL CAQ98983 "protein-tyrosine kinase [Escherichia coli IAI1]" 92.88 720 100.00 100.00 0.00e+00 EMBL CAR03444 "protein-tyrosine kinase [Escherichia coli S88]" 92.88 720 99.64 100.00 0.00e+00 GB AAC75121 "colanic acid production tyrosine-protein kinase; autokinase; Ugd phosphorylase [Escherichia coli str. K-12 substr. MG1655]" 92.88 720 100.00 100.00 0.00e+00 GB AAC77835 "putative membrane-associated ATP-hydrolase [Escherichia coli]" 92.88 720 100.00 100.00 0.00e+00 GB AAG57120 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 92.88 732 100.00 100.00 0.00e+00 GB AAN43661 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 92.88 732 99.64 100.00 0.00e+00 GB AAN81042 "Tyrosine-protein kinase wzc [Escherichia coli CFT073]" 92.88 732 100.00 100.00 0.00e+00 REF NP_310892 "tyrosine kinase [Escherichia coli O157:H7 str. Sakai]" 92.88 720 100.00 100.00 0.00e+00 REF NP_416564 "colanic acid production tyrosine-protein kinase; autokinase; Ugd phosphorylase [Escherichia coli str. K-12 substr. MG1655]" 92.88 720 100.00 100.00 0.00e+00 REF NP_707954 "hypothetical protein SF2124 [Shigella flexneri 2a str. 301]" 92.88 732 99.64 100.00 0.00e+00 REF WP_000105997 "tyrosine kinase [Shigella dysenteriae]" 92.88 681 97.81 99.27 0.00e+00 REF WP_000137082 "tyrosine kinase [Escherichia coli]" 92.88 720 99.64 99.64 0.00e+00 SP P76387 "RecName: Full=Tyrosine-protein kinase wzc" 92.88 720 100.00 100.00 0.00e+00 SP Q8X7L9 "RecName: Full=Tyrosine-protein kinase wzc" 92.88 720 100.00 100.00 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 _Strain $WzcCD 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa K12 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 $WzcCD 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMR_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WzcCD 300 uM '[U-15N; U-2H]' D20 10 % 'natural abundance' H20 90 % 'natural abundance' 'Sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' EDTA 5 mM 'natural abundance' stop_ save_ save_NMR_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WzcCD 300 uM '[U-13C; U-15N; U-2H]' D20 10 % 'natural abundance' H20 90 % 'natural abundance' 'Sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' EDTA 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 8.2.23 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Equipped with CryoProbe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Equipped with CryoProbe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NMR_Sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NMR_Sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NMR_Sample_2 save_ save_3D_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY' _Sample_label $NMR_Sample_1 save_ save_3D_HNCOCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $NMR_Sample_2 save_ save_3D_HNCOCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label $NMR_Sample_2 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $NMR_Sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_NMR _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 na indirect . . . 0.25144954 water H 1 protons ppm 4.75 na direct . . . 1 water N 15 protons ppm 4.75 na indirect . . . 0.10132900 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HNCA' '3D TROSY' '3D HNCOCACB' '3D HNCOCA' '3D HNCACO' stop_ loop_ _Sample_label $NMR_Sample_2 $NMR_Sample_1 stop_ _Sample_conditions_label $NMR _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name WzcCD _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 1 428 3 SER C C 174.5097 0.08 1 2 429 4 SER H H 8.405 0.01 1 3 429 4 SER N N 118.3959 0.06 1 4 436 11 SER C C 174.6856 0.08 1 5 436 11 SER CA C 58.0151 0.15 1 6 436 11 SER CB C 63.1648 0.41 1 7 437 12 SER H H 8.4603 0.01 1 8 437 12 SER C C 175.0041 0.08 1 9 437 12 SER CA C 58.2526 0.15 1 10 437 12 SER CB C 63.2412 0.41 1 11 437 12 SER N N 118.6552 0.06 1 12 438 13 GLY H H 8.3236 0.01 1 13 438 13 GLY C C 173.8582 0.08 1 14 438 13 GLY CA C 44.7695 0.15 1 15 438 13 GLY N N 111.1404 0.06 1 16 439 14 LEU H H 7.9585 0.01 1 17 439 14 LEU C C 177.0764 0.08 1 18 439 14 LEU CA C 54.7573 0.15 1 19 439 14 LEU CB C 41.3075 0.41 1 20 439 14 LEU N N 121.8622 0.06 1 21 440 15 VAL H H 7.9055 0.01 1 22 440 15 VAL C C 174.252 0.08 1 23 440 15 VAL CB C 31.6726 0.41 1 24 440 15 VAL N N 121.783 0.06 1 25 441 16 PRO C C 176.9118 0.08 1 26 441 16 PRO CA C 62.6889 0.15 1 27 441 16 PRO CB C 31.1096 0.41 1 28 442 17 ARG H H 8.4041 0.01 1 29 442 17 ARG C C 177.0935 0.08 1 30 442 17 ARG CA C 55.9385 0.15 1 31 442 17 ARG CB C 29.7125 0.41 1 32 442 17 ARG N N 122.5835 0.06 1 33 443 18 GLY H H 8.4893 0.01 1 34 443 18 GLY C C 174.2019 0.08 1 35 443 18 GLY CA C 44.8164 0.15 1 36 443 18 GLY N N 110.8819 0.06 1 37 444 19 SER H H 8.1054 0.01 1 38 444 19 SER C C 174.1704 0.08 1 39 444 19 SER CA C 57.9576 0.15 1 40 444 19 SER CB C 62.8882 0.41 1 41 444 19 SER N N 116.0577 0.06 1 42 445 20 HIS H H 8.3884 0.01 1 43 445 20 HIS C C 174.8395 0.08 1 44 445 20 HIS CB C 28.3641 0.41 1 45 445 20 HIS N N 120.5812 0.06 1 46 446 21 MET H H 8.2613 0.01 1 47 446 21 MET C C 176.3412 0.08 1 48 446 21 MET CA C 55.3276 0.15 1 49 446 21 MET CB C 31.9312 0.41 1 50 446 21 MET N N 121.3422 0.06 1 51 447 22 SER H H 8.3255 0.01 1 52 447 22 SER C C 175.0839 0.08 1 53 447 22 SER CA C 58.0401 0.15 1 54 447 22 SER CB C 63.0645 0.41 1 55 447 22 SER N N 117.8201 0.06 1 56 448 23 LEU H H 8.2472 0.01 1 57 448 23 LEU C C 177.7864 0.08 1 58 448 23 LEU CA C 55.8213 0.15 1 59 448 23 LEU CB C 40.9968 0.41 1 60 448 23 LEU N N 124.1413 0.06 1 61 449 24 PHE H H 7.8937 0.01 1 62 449 24 PHE C C 175.2902 0.08 1 63 449 24 PHE CA C 58.3343 0.15 1 64 449 24 PHE CB C 38.4055 0.41 1 65 449 24 PHE N N 118.3245 0.06 1 66 450 25 ASN H H 7.9047 0.01 1 67 450 25 ASN C C 174.195 0.08 1 68 450 25 ASN CA C 52.4713 0.15 1 69 450 25 ASN CB C 38.6161 0.41 1 70 450 25 ASN N N 117.6496 0.06 1 71 451 26 ARG H H 7.5663 0.01 1 72 451 26 ARG C C 176.5059 0.08 1 73 451 26 ARG CA C 55.2052 0.15 1 74 451 26 ARG CB C 30.2808 0.41 1 75 451 26 ARG N N 120.1603 0.06 1 76 452 27 GLY H H 8.3333 0.01 1 77 452 27 GLY C C 173.8922 0.08 1 78 452 27 GLY CA C 43.9207 0.15 1 79 452 27 GLY N N 110.1315 0.06 1 80 453 28 ILE H H 8.3838 0.01 1 81 453 28 ILE C C 176.8105 0.08 1 82 453 28 ILE CA C 62.3202 0.15 1 83 453 28 ILE CB C 38.0885 0.41 1 84 453 28 ILE N N 122.5508 0.06 1 85 454 29 GLU H H 8.6942 0.01 1 86 454 29 GLU C C 175.6215 0.08 1 87 454 29 GLU CA C 55.54 0.15 1 88 454 29 GLU CB C 30.4286 0.41 1 89 454 29 GLU N N 125.6704 0.06 1 90 455 30 SER H H 7.3535 0.01 1 91 455 30 SER C C 172.7681 0.08 1 92 455 30 SER CA C 55.1568 0.15 1 93 455 30 SER CB C 63.6477 0.41 1 94 455 30 SER N N 112.407 0.06 1 95 456 31 PRO C C 177.558 0.08 1 96 456 31 PRO CA C 64.2983 0.15 1 97 456 31 PRO CB C 31.0756 0.41 1 98 457 32 GLN H H 7.9798 0.01 1 99 457 32 GLN C C 177.5834 0.08 1 100 457 32 GLN CA C 58.9969 0.15 1 101 457 32 GLN CB C 27.1996 0.41 1 102 457 32 GLN N N 117.9606 0.06 1 103 458 33 VAL H H 7.2872 0.01 1 104 458 33 VAL C C 178.0126 0.08 1 105 458 33 VAL CA C 64.7015 0.15 1 106 458 33 VAL CB C 30.7704 0.41 1 107 458 33 VAL N N 117.2095 0.06 1 108 459 34 LEU H H 6.7175 0.01 1 109 459 34 LEU C C 178.9184 0.08 1 110 459 34 LEU CA C 57.6893 0.15 1 111 459 34 LEU CB C 38.0602 0.41 1 112 459 34 LEU N N 119.6235 0.06 1 113 460 35 GLU H H 7.9275 0.01 1 114 460 35 GLU C C 181.6893 0.08 1 115 460 35 GLU CA C 59.0233 0.15 1 116 460 35 GLU N N 121.9432 0.06 1 117 461 36 GLU H H 8.6242 0.01 1 118 461 36 GLU C C 177.3396 0.08 1 119 461 36 GLU CA C 57.8148 0.15 1 120 461 36 GLU CB C 28.2312 0.41 1 121 461 36 GLU N N 119.9545 0.06 1 122 462 37 HIS H H 7.5117 0.01 1 123 462 37 HIS C C 173.878 0.08 1 124 462 37 HIS CA C 55.5978 0.15 1 125 462 37 HIS CB C 27.9774 0.41 1 126 462 37 HIS N N 116.4548 0.06 1 127 463 38 GLY H H 7.7877 0.01 1 128 463 38 GLY C C 173.7841 0.08 1 129 463 38 GLY CA C 45.7034 0.15 1 130 463 38 GLY N N 107.7519 0.06 1 131 464 39 ILE H H 7.7644 0.01 1 132 464 39 ILE C C 173.8456 0.08 1 133 464 39 ILE CA C 59.8296 0.15 1 134 464 39 ILE CB C 38.0355 0.41 1 135 464 39 ILE N N 124.092 0.06 1 136 465 40 SER H H 8.4496 0.01 1 137 465 40 SER C C 173.8345 0.08 1 138 465 40 SER CA C 58.6826 0.15 1 139 465 40 SER CB C 63.3396 0.41 1 140 465 40 SER N N 121.3572 0.06 1 141 466 41 VAL H H 8.7957 0.01 1 142 466 41 VAL C C 176.5058 0.08 1 143 466 41 VAL CA C 60.9852 0.15 1 144 466 41 VAL CB C 30.3895 0.41 1 145 466 41 VAL N N 127.7908 0.06 1 146 467 42 TYR H H 9.1242 0.01 1 147 467 42 TYR C C 175.6446 0.08 1 148 467 42 TYR CA C 59.802 0.15 1 149 467 42 TYR CB C 39.8655 0.41 1 150 467 42 TYR N N 129.7972 0.06 1 151 468 43 ALA H H 7.2956 0.01 1 152 468 43 ALA C C 174.4651 0.08 1 153 468 43 ALA CA C 51.9177 0.15 1 154 468 43 ALA CB C 22.4062 0.41 1 155 468 43 ALA N N 115.2208 0.06 1 156 469 44 SER H H 8.2597 0.01 1 157 469 44 SER C C 173.2058 0.08 1 158 469 44 SER CA C 57.1767 0.15 1 159 469 44 SER CB C 63.8734 0.41 1 160 469 44 SER N N 118.5177 0.06 1 161 470 45 ILE H H 9.1215 0.01 1 162 470 45 ILE CA C 56.869 0.15 1 163 470 45 ILE N N 125.9832 0.06 1 164 473 48 SER C C 176.1447 0.08 1 165 473 48 SER CA C 56.489 0.15 1 166 473 48 SER CB C 61.8937 0.41 1 167 474 49 GLU H H 9.0238 0.01 1 168 474 49 GLU C C 179.1136 0.08 1 169 474 49 GLU CA C 59.3349 0.15 1 170 474 49 GLU CB C 28.1793 0.41 1 171 474 49 GLU N N 132.7102 0.06 1 172 475 50 TRP H H 8.8099 0.01 1 173 475 50 TRP C C 178.6238 0.08 1 174 475 50 TRP CA C 61.4287 0.15 1 175 475 50 TRP CB C 29.9474 0.41 1 176 475 50 TRP N N 124.1556 0.06 1 177 476 51 GLN H H 8.3482 0.01 1 178 476 51 GLN C C 177.5356 0.08 1 179 476 51 GLN CA C 58.0521 0.15 1 180 476 51 GLN CB C 28.6122 0.41 1 181 476 51 GLN N N 120.7483 0.06 1 182 477 52 LYS H H 8.1067 0.01 1 183 477 52 LYS C C 179.3158 0.08 1 184 477 52 LYS CA C 58.5782 0.15 1 185 477 52 LYS CB C 31.7795 0.41 1 186 477 52 LYS N N 119.704 0.06 1 187 480 55 ASP C C 177.3535 0.08 1 188 480 55 ASP CA C 55.5634 0.15 1 189 480 55 ASP CB C 40.2574 0.41 1 190 481 56 SER H H 7.6292 0.01 1 191 481 56 SER C C 174.43 0.08 1 192 481 56 SER CA C 59.0196 0.15 1 193 481 56 SER CB C 63.1435 0.41 1 194 481 56 SER N N 115.1296 0.06 1 195 482 57 VAL H H 7.4889 0.01 1 196 482 57 VAL C C 175.9059 0.08 1 197 482 57 VAL CA C 61.8217 0.15 1 198 482 57 VAL CB C 31.476 0.41 1 199 482 57 VAL N N 121.31 0.06 1 200 483 58 LYS H H 8.0172 0.01 1 201 483 58 LYS C C 176.4773 0.08 1 202 483 58 LYS CA C 55.9539 0.15 1 203 483 58 LYS CB C 32.1507 0.41 1 204 483 58 LYS N N 124.6115 0.06 1 205 484 59 THR H H 8.0201 0.01 1 206 484 59 THR C C 174.5399 0.08 1 207 484 59 THR CA C 61.488 0.15 1 208 484 59 THR CB C 69.1166 0.41 1 209 484 59 THR N N 115.9466 0.06 1 210 485 60 ILE H H 8.1182 0.01 1 211 485 60 ILE C C 176.1777 0.08 1 212 485 60 ILE CA C 60.821 0.15 1 213 485 60 ILE CB C 37.864 0.41 1 214 485 60 ILE N N 124.4236 0.06 1 215 486 61 LYS H H 8.476 0.01 1 216 486 61 LYS C C 176.9092 0.08 1 217 486 61 LYS CA C 56.4572 0.15 1 218 486 61 LYS CB C 31.0462 0.41 1 219 486 61 LYS N N 125.4899 0.06 1 220 487 62 GLY H H 8.2136 0.01 1 221 487 62 GLY C C 173.9472 0.08 1 222 487 62 GLY CA C 44.846 0.15 1 223 487 62 GLY N N 108.781 0.06 1 224 488 63 ILE H H 7.6854 0.01 1 225 488 63 ILE C C 176.0121 0.08 1 226 488 63 ILE CA C 60.0801 0.15 1 227 488 63 ILE CB C 37.771 0.41 1 228 488 63 ILE N N 120.9699 0.06 1 229 489 64 LYS H H 8.3273 0.01 1 230 489 64 LYS C C 176.0063 0.08 1 231 489 64 LYS CA C 56.0501 0.15 1 232 489 64 LYS CB C 31.8394 0.41 1 233 489 64 LYS N N 126.26 0.06 1 234 490 65 ARG H H 8.1521 0.01 1 235 490 65 ARG C C 175.4434 0.08 1 236 490 65 ARG CA C 55.4305 0.15 1 237 490 65 ARG CB C 30.0625 0.41 1 238 490 65 ARG N N 122.8822 0.06 1 239 496 71 LEU C C 173.8435 0.08 1 240 497 72 LEU H H 9.2442 0.01 1 241 497 72 LEU N N 122.0352 0.06 1 242 500 75 GLY C C 173.7224 0.08 1 243 501 76 ASN H H 8.202 0.01 1 244 501 76 ASN N N 115.758 0.06 1 245 502 77 PRO C C 176.5044 0.08 1 246 502 77 PRO CA C 64.6044 0.15 1 247 502 77 PRO CB C 31.4572 0.41 1 248 503 78 THR H H 7.2632 0.01 1 249 503 78 THR C C 174.3926 0.08 1 250 503 78 THR CA C 60.4785 0.15 1 251 503 78 THR CB C 68.1677 0.41 1 252 503 78 THR N N 105.3564 0.06 1 253 504 79 ASP H H 7.506 0.01 1 254 504 79 ASP C C 178.1371 0.08 1 255 504 79 ASP CA C 54.1904 0.15 1 256 504 79 ASP CB C 43.6143 0.41 1 257 504 79 ASP N N 124.4033 0.06 1 258 505 80 LEU H H 9.0405 0.01 1 259 505 80 LEU C C 180.6572 0.08 1 260 505 80 LEU CA C 57.8065 0.15 1 261 505 80 LEU CB C 39.9201 0.41 1 262 505 80 LEU N N 129.517 0.06 1 263 506 81 ALA H H 10.5733 0.01 1 264 506 81 ALA C C 180.0367 0.08 1 265 506 81 ALA CA C 55.1923 0.15 1 266 506 81 ALA CB C 17.3381 0.41 1 267 506 81 ALA N N 123.4882 0.06 1 268 507 82 ILE H H 7.1252 0.01 1 269 507 82 ILE C C 178.5653 0.08 1 270 507 82 ILE CA C 59.9007 0.15 1 271 507 82 ILE CB C 40.4188 0.41 1 272 507 82 ILE N N 116.4262 0.06 1 273 508 83 GLU C C 179.4272 0.08 1 274 508 83 GLU CA C 59.0247 0.15 1 275 508 83 GLU CB C 27.8491 0.41 1 276 509 84 ALA H H 7.6512 0.01 1 277 509 84 ALA C C 180.5805 0.08 1 278 509 84 ALA CA C 54.5772 0.15 1 279 509 84 ALA CB C 18.8368 0.41 1 280 509 84 ALA N N 121.3176 0.06 1 281 510 85 ILE H H 7.8135 0.01 1 282 510 85 ILE C C 177.5132 0.08 1 283 510 85 ILE CA C 64.7205 0.15 1 284 510 85 ILE CB C 36.4114 0.41 1 285 510 85 ILE N N 122.5385 0.06 1 286 511 86 ARG H H 8.8748 0.01 1 287 511 86 ARG C C 179.3989 0.08 1 288 511 86 ARG CA C 60.5755 0.15 1 289 511 86 ARG CB C 28.3919 0.41 1 290 511 86 ARG N N 123.1769 0.06 1 291 512 87 SER H H 7.7751 0.01 1 292 512 87 SER C C 176.7887 0.08 1 293 512 87 SER CA C 61.598 0.15 1 294 512 87 SER N N 116.9995 0.06 1 295 513 88 LEU H H 7.7781 0.01 1 296 513 88 LEU C C 177.2902 0.08 1 297 513 88 LEU CA C 56.8552 0.15 1 298 513 88 LEU CB C 39.8158 0.41 1 299 513 88 LEU N N 124.8958 0.06 1 300 514 89 ARG H H 8.1853 0.01 1 301 514 89 ARG C C 178.4478 0.08 1 302 514 89 ARG CA C 59.722 0.15 1 303 514 89 ARG CB C 27.6358 0.41 1 304 514 89 ARG N N 120.0374 0.06 1 305 515 90 THR H H 7.7934 0.01 1 306 515 90 THR C C 176.3074 0.08 1 307 515 90 THR CA C 66.1195 0.15 1 308 515 90 THR CB C 67.9069 0.41 1 309 515 90 THR N N 117.647 0.06 1 310 516 91 SER H H 8.1028 0.01 1 311 516 91 SER C C 177.5424 0.08 1 312 516 91 SER CA C 61.8468 0.15 1 313 516 91 SER N N 118.9864 0.06 1 314 517 92 LEU H H 8.776 0.01 1 315 517 92 LEU C C 177.8674 0.08 1 316 517 92 LEU CA C 56.8337 0.15 1 317 517 92 LEU CB C 41.2061 0.41 1 318 517 92 LEU N N 122.8558 0.06 1 319 518 93 HIS H H 7.9315 0.01 1 320 518 93 HIS C C 177.3693 0.08 1 321 518 93 HIS CA C 59.1891 0.15 1 322 518 93 HIS CB C 28.3145 0.41 1 323 518 93 HIS N N 119.482 0.06 1 324 519 94 PHE H H 7.2802 0.01 1 325 519 94 PHE C C 177.0315 0.08 1 326 519 94 PHE CA C 60.7621 0.15 1 327 519 94 PHE CB C 37.8849 0.41 1 328 519 94 PHE N N 116.4852 0.06 1 329 520 95 ALA H H 7.9465 0.01 1 330 520 95 ALA C C 180.6903 0.08 1 331 520 95 ALA CA C 54.3494 0.15 1 332 520 95 ALA CB C 17.2503 0.41 1 333 520 95 ALA N N 122.132 0.06 1 334 521 96 MET H H 8.5762 0.01 1 335 521 96 MET C C 178.3051 0.08 1 336 521 96 MET CA C 57.9466 0.15 1 337 521 96 MET N N 116.7644 0.06 1 338 522 97 MET H H 7.4615 0.01 1 339 522 97 MET C C 178.5132 0.08 1 340 522 97 MET CA C 57.9065 0.15 1 341 522 97 MET CB C 31.1973 0.41 1 342 522 97 MET N N 120.1343 0.06 1 343 523 98 GLN H H 7.6735 0.01 1 344 523 98 GLN C C 176.5756 0.08 1 345 523 98 GLN CA C 56.3416 0.15 1 346 523 98 GLN CB C 27.7148 0.41 1 347 523 98 GLN N N 117.7601 0.06 1 348 524 99 ALA H H 7.3589 0.01 1 349 524 99 ALA C C 177.4769 0.08 1 350 524 99 ALA CA C 52.1423 0.15 1 351 524 99 ALA CB C 18.9638 0.41 1 352 524 99 ALA N N 120.9573 0.06 1 353 525 100 GLN H H 8.3688 0.01 1 354 525 100 GLN C C 175.1648 0.08 1 355 525 100 GLN CA C 56.3135 0.15 1 356 525 100 GLN CB C 26.9572 0.41 1 357 525 100 GLN N N 116.1878 0.06 1 358 526 101 ASN H H 7.1948 0.01 1 359 526 101 ASN C C 174.4054 0.08 1 360 526 101 ASN CA C 52.5326 0.15 1 361 526 101 ASN CB C 39.9519 0.41 1 362 526 101 ASN N N 112.797 0.06 1 363 527 102 ASN H H 8.337 0.01 1 364 527 102 ASN C C 172.9526 0.08 1 365 527 102 ASN CA C 52.1413 0.15 1 366 527 102 ASN CB C 36.1001 0.41 1 367 527 102 ASN N N 123.1867 0.06 1 368 528 103 VAL H H 8.2107 0.01 1 369 528 103 VAL C C 175.5275 0.08 1 370 528 103 VAL CA C 60.9762 0.15 1 371 528 103 VAL N N 118.8895 0.06 1 372 529 104 LEU H H 9.3881 0.01 1 373 529 104 LEU C C 174.0099 0.08 1 374 529 104 LEU CA C 52.3011 0.15 1 375 529 104 LEU CB C 44.6715 0.41 1 376 529 104 LEU N N 135.125 0.06 1 377 530 105 MET H H 9.2872 0.01 1 378 530 105 MET C C 173.4594 0.08 1 379 530 105 MET CA C 53.6542 0.15 1 380 530 105 MET CB C 36.5099 0.41 1 381 530 105 MET N N 126.5323 0.06 1 382 531 106 MET H H 8.9239 0.01 1 383 531 106 MET C C 173.9528 0.08 1 384 531 106 MET CA C 52.7806 0.15 1 385 531 106 MET CB C 33.4393 0.41 1 386 531 106 MET N N 126.7163 0.06 1 387 532 107 THR H H 8.0526 0.01 1 388 532 107 THR C C 172.679 0.08 1 389 532 107 THR CA C 57.9752 0.15 1 390 532 107 THR CB C 70.2467 0.41 1 391 532 107 THR N N 119.4717 0.06 1 392 533 108 GLY H H 8.0285 0.01 1 393 533 108 GLY C C 173.3315 0.08 1 394 533 108 GLY CA C 43.5734 0.15 1 395 533 108 GLY N N 111.0372 0.06 1 396 534 109 VAL H H 8.0124 0.01 1 397 534 109 VAL C C 175.1903 0.08 1 398 534 109 VAL CA C 65.0253 0.15 1 399 534 109 VAL CB C 31.868 0.41 1 400 534 109 VAL N N 119.7096 0.06 1 401 535 110 SER H H 7.351 0.01 1 402 535 110 SER C C 170.6563 0.08 1 403 535 110 SER CA C 56.1365 0.15 1 404 535 110 SER CB C 62.3813 0.41 1 405 535 110 SER N N 111.5387 0.06 1 406 536 111 PRO C C 175.9972 0.08 1 407 537 112 SER H H 9.7939 0.01 1 408 537 112 SER N N 117.6357 0.06 1 409 541 116 THR C C 176.1772 0.08 1 410 541 116 THR CA C 68.0946 0.15 1 411 541 116 THR CB C 66.952 0.41 1 412 542 117 PHE H H 9.155 0.01 1 413 542 117 PHE C C 177.9766 0.08 1 414 542 117 PHE CA C 61.3171 0.15 1 415 542 117 PHE CB C 37.8854 0.41 1 416 542 117 PHE N N 125.54 0.06 1 417 543 118 VAL H H 8.9168 0.01 1 418 543 118 VAL C C 176.7487 0.08 1 419 543 118 VAL CA C 67.0613 0.15 1 420 543 118 VAL CB C 30.3895 0.41 1 421 543 118 VAL N N 120.6588 0.06 1 422 544 119 CYS H H 8.5161 0.01 1 423 544 119 CYS C C 176.0883 0.08 1 424 544 119 CYS CA C 63.6105 0.15 1 425 544 119 CYS CB C 27.0265 0.41 1 426 544 119 CYS N N 118.6124 0.06 1 427 545 120 ALA H H 9.1592 0.01 1 428 545 120 ALA C C 178.7522 0.08 1 429 545 120 ALA CA C 54.6787 0.15 1 430 545 120 ALA CB C 17.1991 0.41 1 431 545 120 ALA N N 118.748 0.06 1 432 546 121 ASN H H 7.073 0.01 1 433 546 121 ASN C C 176.8463 0.08 1 434 546 121 ASN CA C 57.1232 0.15 1 435 546 121 ASN CB C 38.7047 0.41 1 436 546 121 ASN N N 113.7804 0.06 1 437 547 122 LEU H H 8.5366 0.01 1 438 547 122 LEU C C 177.3348 0.08 1 439 547 122 LEU CA C 57.5839 0.15 1 440 547 122 LEU CB C 40.4974 0.41 1 441 547 122 LEU N N 121.872 0.06 1 442 548 123 ALA H H 7.9152 0.01 1 443 548 123 ALA C C 178.6293 0.08 1 444 548 123 ALA CA C 54.7898 0.15 1 445 548 123 ALA CB C 16.6465 0.41 1 446 548 123 ALA N N 120.7709 0.06 1 447 549 124 ALA H H 7.4402 0.01 1 448 549 124 ALA C C 180.2169 0.08 1 449 549 124 ALA CA C 54.7621 0.15 1 450 549 124 ALA CB C 17.3538 0.41 1 451 549 124 ALA N N 118.6382 0.06 1 452 550 125 VAL H H 8.0753 0.01 1 453 550 125 VAL C C 179.3216 0.08 1 454 550 125 VAL CA C 65.0478 0.15 1 455 550 125 VAL CB C 30.2988 0.41 1 456 550 125 VAL N N 116.3921 0.06 1 457 551 126 ILE H H 8.299 0.01 1 458 551 126 ILE C C 180.3222 0.08 1 459 551 126 ILE CA C 65.2449 0.15 1 460 551 126 ILE CB C 36.5368 0.41 1 461 551 126 ILE N N 122.8232 0.06 1 462 552 127 SER H H 8.5462 0.01 1 463 552 127 SER C C 177.628 0.08 1 464 552 127 SER CA C 61.8174 0.15 1 465 552 127 SER N N 122.5379 0.06 1 466 553 128 GLN H H 7.4373 0.01 1 467 553 128 GLN C C 177.1176 0.08 1 468 553 128 GLN CA C 57.2593 0.15 1 469 553 128 GLN CB C 27.2128 0.41 1 470 553 128 GLN N N 121.3198 0.06 1 471 554 129 THR H H 7.7264 0.01 1 472 554 129 THR C C 173.4095 0.08 1 473 554 129 THR CA C 60.9461 0.15 1 474 554 129 THR CB C 68.9203 0.41 1 475 554 129 THR N N 111.2194 0.06 1 476 555 130 ASN H H 8.1011 0.01 1 477 555 130 ASN C C 173.9576 0.08 1 478 555 130 ASN CA C 54.0691 0.15 1 479 555 130 ASN CB C 35.7939 0.41 1 480 555 130 ASN N N 116.876 0.06 1 481 556 131 LYS H H 6.7104 0.01 1 482 556 131 LYS C C 173.6854 0.08 1 483 556 131 LYS CA C 53.3851 0.15 1 484 556 131 LYS CB C 33.6183 0.41 1 485 556 131 LYS N N 118.6007 0.06 1 486 557 132 ARG H H 9.5298 0.01 1 487 557 132 ARG C C 176.6162 0.08 1 488 557 132 ARG CA C 55.264 0.15 1 489 557 132 ARG CB C 30.1891 0.41 1 490 557 132 ARG N N 121.1451 0.06 1 491 558 133 VAL H H 9.0529 0.01 1 492 558 133 VAL C C 171.9928 0.08 1 493 558 133 VAL CA C 59.3012 0.15 1 494 558 133 VAL CB C 34.3859 0.41 1 495 558 133 VAL N N 127.3646 0.06 1 496 563 138 CYS C C 175.3656 0.08 1 497 563 138 CYS CA C 57.8114 0.15 1 498 563 138 CYS CB C 26.9793 0.41 1 499 564 139 ASP H H 7.723 0.01 1 500 564 139 ASP C C 176.1729 0.08 1 501 564 139 ASP CA C 51.5569 0.15 1 502 564 139 ASP CB C 39.1188 0.41 1 503 564 139 ASP N N 119.7476 0.06 1 504 565 140 MET H H 8.4801 0.01 1 505 565 140 MET C C 173.018 0.08 1 506 565 140 MET CA C 57.3276 0.15 1 507 565 140 MET N N 120.3874 0.06 1 508 566 141 ARG H H 7.7081 0.01 1 509 566 141 ARG C C 178.5797 0.08 1 510 566 141 ARG CA C 56.869 0.15 1 511 566 141 ARG CB C 30.1356 0.41 1 512 566 141 ARG N N 112.344 0.06 1 513 567 142 LYS H H 7.9808 0.01 1 514 567 142 LYS C C 177.3693 0.08 1 515 567 142 LYS CA C 54.5179 0.15 1 516 567 142 LYS N N 115.957 0.06 1 517 568 143 GLY H H 8.0673 0.01 1 518 568 143 GLY C C 175.4165 0.08 1 519 568 143 GLY CA C 47.5282 0.15 1 520 568 143 GLY N N 111.2451 0.06 1 521 569 144 TYR H H 9.2579 0.01 1 522 569 144 TYR C C 172.5687 0.08 1 523 569 144 TYR CA C 56.237 0.15 1 524 569 144 TYR CB C 41.1525 0.41 1 525 569 144 TYR N N 121.0325 0.06 1 526 570 145 THR C C 175.3498 0.08 1 527 570 145 THR CA C 66.3025 0.15 1 528 570 145 THR CB C 67.206 0.41 1 529 571 146 HIS H H 8.2653 0.01 1 530 571 146 HIS C C 176.9057 0.08 1 531 571 146 HIS CA C 58.3879 0.15 1 532 571 146 HIS CB C 27.5966 0.41 1 533 571 146 HIS N N 117.9352 0.06 1 534 572 147 GLU H H 6.3205 0.01 1 535 572 147 GLU C C 179.055 0.08 1 536 572 147 GLU CA C 57.477 0.15 1 537 572 147 GLU CB C 28.7391 0.41 1 538 572 147 GLU N N 120.0436 0.06 1 539 573 148 LEU H H 7.0658 0.01 1 540 573 148 LEU C C 177.7654 0.08 1 541 573 148 LEU CA C 56.2626 0.15 1 542 573 148 LEU CB C 42.2206 0.41 1 543 573 148 LEU N N 119.4691 0.06 1 544 574 149 LEU H H 7.8646 0.01 1 545 574 149 LEU C C 176.8641 0.08 1 546 574 149 LEU CA C 53.5465 0.15 1 547 574 149 LEU CB C 40.4044 0.41 1 548 574 149 LEU N N 115.0035 0.06 1 549 575 150 GLY H H 7.459 0.01 1 550 575 150 GLY C C 175.1558 0.08 1 551 575 150 GLY CA C 46.6648 0.15 1 552 575 150 GLY N N 109.1061 0.06 1 553 576 151 THR H H 8.3585 0.01 1 554 576 151 THR C C 173.9592 0.08 1 555 576 151 THR CA C 59.9618 0.15 1 556 576 151 THR CB C 70.1606 0.41 1 557 576 151 THR N N 112.3838 0.06 1 558 577 152 ASN H H 8.2601 0.01 1 559 577 152 ASN C C 173.9061 0.08 1 560 577 152 ASN CA C 51.3532 0.15 1 561 577 152 ASN CB C 37.702 0.41 1 562 577 152 ASN N N 117.0145 0.06 1 563 578 153 ASN H H 8.3484 0.01 1 564 578 153 ASN C C 175.1614 0.08 1 565 578 153 ASN CA C 50.2413 0.15 1 566 578 153 ASN CB C 38.3814 0.41 1 567 578 153 ASN N N 116.8002 0.06 1 568 579 154 VAL H H 7.1776 0.01 1 569 579 154 VAL C C 176.138 0.08 1 570 579 154 VAL CA C 61.2613 0.15 1 571 579 154 VAL CB C 31.4932 0.41 1 572 579 154 VAL N N 120.4972 0.06 1 573 580 155 ASN H H 8.6871 0.01 1 574 580 155 ASN C C 174.6003 0.08 1 575 580 155 ASN CA C 54.3682 0.15 1 576 580 155 ASN CB C 36.4875 0.41 1 577 580 155 ASN N N 125.7898 0.06 1 578 581 156 GLY H H 8.0265 0.01 1 579 581 156 GLY C C 172.5509 0.08 1 580 581 156 GLY CA C 42.5135 0.15 1 581 581 156 GLY N N 105.486 0.06 1 582 582 157 LEU H H 9.2631 0.01 1 583 582 157 LEU C C 178.4261 0.08 1 584 582 157 LEU CA C 57.9927 0.15 1 585 582 157 LEU CB C 40.7808 0.41 1 586 582 157 LEU N N 121.0332 0.06 1 587 583 158 SER H H 8.6711 0.01 1 588 583 158 SER C C 171.992 0.08 1 589 583 158 SER CA C 61.0733 0.15 1 590 583 158 SER N N 113.7545 0.06 1 591 585 160 ILE C C 180.121 0.08 1 592 585 160 ILE CA C 63.7782 0.15 1 593 585 160 ILE CB C 36.7372 0.41 1 594 586 161 LEU H H 8.4588 0.01 1 595 586 161 LEU C C 177.8195 0.08 1 596 586 161 LEU CA C 56.9837 0.15 1 597 586 161 LEU CB C 40.0131 0.41 1 598 586 161 LEU N N 118.9315 0.06 1 599 587 162 ILE H H 7.6712 0.01 1 600 587 162 ILE C C 176.6977 0.08 1 601 587 162 ILE CA C 61.7842 0.15 1 602 587 162 ILE CB C 38.022 0.41 1 603 587 162 ILE N N 115.8058 0.06 1 604 588 163 GLY H H 7.4307 0.01 1 605 588 163 GLY C C 173.5096 0.08 1 606 588 163 GLY CA C 44.2197 0.15 1 607 588 163 GLY N N 108.0069 0.06 1 608 589 164 GLN H H 7.9137 0.01 1 609 589 164 GLN C C 176.0382 0.08 1 610 589 164 GLN CA C 54.852 0.15 1 611 589 164 GLN CB C 28.693 0.41 1 612 589 164 GLN N N 118.8084 0.06 1 613 590 165 GLY H H 7.8147 0.01 1 614 590 165 GLY C C 172.4006 0.08 1 615 590 165 GLY CA C 43.8497 0.15 1 616 590 165 GLY N N 108.3039 0.06 1 617 591 166 ASP H H 8.025 0.01 1 618 591 166 ASP C C 177.1817 0.08 1 619 591 166 ASP CA C 53.0633 0.15 1 620 591 166 ASP CB C 41.466 0.41 1 621 591 166 ASP N N 121.2325 0.06 1 622 592 167 ILE H H 8.2558 0.01 1 623 592 167 ILE C C 175.1822 0.08 1 624 592 167 ILE CA C 63.5313 0.15 1 625 592 167 ILE CB C 37.5273 0.41 1 626 592 167 ILE N N 125.421 0.06 1 627 593 168 THR H H 7.5686 0.01 1 628 593 168 THR C C 176.0531 0.08 1 629 593 168 THR CA C 62.9068 0.15 1 630 593 168 THR CB C 68.5968 0.41 1 631 593 168 THR N N 106.5572 0.06 1 632 594 169 THR H H 6.8562 0.01 1 633 594 169 THR C C 174.4634 0.08 1 634 594 169 THR CA C 59.8472 0.15 1 635 594 169 THR CB C 68.2876 0.41 1 636 594 169 THR N N 110.5867 0.06 1 637 595 170 ALA H H 7.1587 0.01 1 638 595 170 ALA C C 178.3439 0.08 1 639 595 170 ALA CA C 53.318 0.15 1 640 595 170 ALA CB C 19.7187 0.41 1 641 595 170 ALA N N 124.4612 0.06 1 642 596 171 ALA H H 8.122 0.01 1 643 596 171 ALA C C 177.3696 0.08 1 644 596 171 ALA CA C 52.5084 0.15 1 645 596 171 ALA CB C 19.4572 0.41 1 646 596 171 ALA N N 119.546 0.06 1 647 597 172 LYS H H 9.2334 0.01 1 648 597 172 LYS C C 173.7724 0.08 1 649 597 172 LYS CA C 52.7134 0.15 1 650 597 172 LYS CB C 33.3932 0.41 1 651 597 172 LYS N N 124.9096 0.06 1 652 598 173 PRO C C 177.8721 0.08 1 653 598 173 PRO CA C 62.3891 0.15 1 654 598 173 PRO CB C 31.2459 0.41 1 655 599 174 THR H H 8.088 0.01 1 656 599 174 THR C C 175.1238 0.08 1 657 599 174 THR CA C 61.1538 0.15 1 658 599 174 THR CB C 70.2528 0.41 1 659 599 174 THR N N 113.1273 0.06 1 660 600 175 SER H H 8.1956 0.01 1 661 600 175 SER CA C 59.1795 0.15 1 662 600 175 SER CB C 62.4516 0.41 1 663 600 175 SER N N 113.0832 0.06 1 664 601 176 ILE C C 175.1302 0.08 1 665 601 176 ILE CA C 60.3902 0.15 1 666 601 176 ILE CB C 37.6876 0.41 1 667 602 177 ALA H H 8.403 0.01 1 668 602 177 ALA C C 177.3614 0.08 1 669 602 177 ALA CA C 53.3702 0.15 1 670 602 177 ALA CB C 17.5442 0.41 1 671 602 177 ALA N N 131.5839 0.06 1 672 603 178 LYS H H 8.3231 0.01 1 673 603 178 LYS C C 172.9357 0.08 1 674 603 178 LYS CA C 58.482 0.15 1 675 603 178 LYS CB C 28.8596 0.41 1 676 603 178 LYS N N 113.1183 0.06 1 677 604 179 PHE H H 7.575 0.01 1 678 604 179 PHE C C 174.2066 0.08 1 679 604 179 PHE CA C 53.0229 0.15 1 680 604 179 PHE CB C 37.0694 0.41 1 681 604 179 PHE N N 120.8532 0.06 1 682 608 183 PRO C C 175.3341 0.08 1 683 608 183 PRO CA C 61.5784 0.15 1 684 608 183 PRO CB C 33.2241 0.41 1 685 609 184 ARG H H 9.6029 0.01 1 686 609 184 ARG C C 177.7063 0.08 1 687 609 184 ARG CA C 58.7704 0.15 1 688 609 184 ARG N N 116.3542 0.06 1 689 610 185 GLY H H 8.762 0.01 1 690 610 185 GLY C C 175.0106 0.08 1 691 610 185 GLY CA C 44.19 0.15 1 692 610 185 GLY N N 108.9313 0.06 1 693 611 186 GLN H H 8.6544 0.01 1 694 611 186 GLN C C 176.9379 0.08 1 695 611 186 GLN CA C 55.4938 0.15 1 696 611 186 GLN CB C 28.0938 0.41 1 697 611 186 GLN N N 119.8287 0.06 1 698 612 187 VAL H H 8.1835 0.01 1 699 612 187 VAL C C 175.5366 0.08 1 700 612 187 VAL CA C 60.6149 0.15 1 701 612 187 VAL CB C 31.6358 0.41 1 702 612 187 VAL N N 124.3772 0.06 1 703 614 189 PRO C C 177.3569 0.08 1 704 615 190 ASN H H 8.2266 0.01 1 705 615 190 ASN N N 113.5066 0.06 1 706 616 191 PRO C C 177.4677 0.08 1 707 616 191 PRO CA C 65.8942 0.15 1 708 616 191 PRO CB C 31.1535 0.41 1 709 617 192 SER H H 7.7943 0.01 1 710 617 192 SER C C 175.439 0.08 1 711 617 192 SER CA C 61.5934 0.15 1 712 617 192 SER N N 110.2038 0.06 1 713 618 193 GLU H H 7.0626 0.01 1 714 618 193 GLU C C 179.777 0.08 1 715 618 193 GLU CA C 58.4083 0.15 1 716 618 193 GLU CB C 28.7757 0.41 1 717 618 193 GLU N N 119.5729 0.06 1 718 619 194 LEU H H 7.2766 0.01 1 719 619 194 LEU C C 179.6005 0.08 1 720 619 194 LEU CA C 56.978 0.15 1 721 619 194 LEU CB C 40.1486 0.41 1 722 619 194 LEU N N 118.7657 0.06 1 723 620 195 LEU H H 7.5054 0.01 1 724 620 195 LEU C C 176.0829 0.08 1 725 620 195 LEU CA C 56.0415 0.15 1 726 620 195 LEU CB C 40.6755 0.41 1 727 620 195 LEU N N 118.5864 0.06 1 728 621 196 MET H H 7.1173 0.01 1 729 621 196 MET C C 176.487 0.08 1 730 621 196 MET CA C 55.3506 0.15 1 731 621 196 MET CB C 32.3002 0.41 1 732 621 196 MET N N 114.4576 0.06 1 733 622 197 SER H H 7.3972 0.01 1 734 622 197 SER C C 177.0656 0.08 1 735 622 197 SER CA C 58.3546 0.15 1 736 622 197 SER CB C 64.4111 0.41 1 737 622 197 SER N N 115.169 0.06 1 738 623 198 GLU H H 9.3163 0.01 1 739 623 198 GLU C C 178.234 0.08 1 740 623 198 GLU CA C 58.8105 0.15 1 741 623 198 GLU CB C 28.1104 0.41 1 742 623 198 GLU N N 128.1657 0.06 1 743 624 199 ARG H H 8.1404 0.01 1 744 624 199 ARG C C 177.7236 0.08 1 745 624 199 ARG CA C 58.1063 0.15 1 746 624 199 ARG CB C 29.4984 0.41 1 747 624 199 ARG N N 118.0483 0.06 1 748 625 200 PHE H H 7.7738 0.01 1 749 625 200 PHE C C 176.1175 0.08 1 750 625 200 PHE CA C 62.1662 0.15 1 751 625 200 PHE CB C 37.468 0.41 1 752 625 200 PHE N N 119.9957 0.06 1 753 626 201 ALA H H 7.0239 0.01 1 754 626 201 ALA C C 180.0464 0.08 1 755 626 201 ALA CA C 54.6005 0.15 1 756 626 201 ALA CB C 17.0767 0.41 1 757 626 201 ALA N N 120.6207 0.06 1 758 627 202 GLU H H 7.7431 0.01 1 759 627 202 GLU C C 179.1881 0.08 1 760 627 202 GLU CA C 58.7164 0.15 1 761 627 202 GLU CB C 28.4623 0.41 1 762 627 202 GLU N N 117.7079 0.06 1 763 629 204 VAL C C 177.2649 0.08 1 764 629 204 VAL CA C 67.0851 0.15 1 765 629 204 VAL CB C 30.0172 0.41 1 766 630 205 ASN H H 8.1285 0.01 1 767 630 205 ASN C C 177.6332 0.08 1 768 630 205 ASN CA C 55.8536 0.15 1 769 630 205 ASN CB C 37.9511 0.41 1 770 630 205 ASN N N 118.3882 0.06 1 771 631 206 TRP H H 8.1726 0.01 1 772 631 206 TRP C C 178.7426 0.08 1 773 631 206 TRP CA C 61.5461 0.15 1 774 631 206 TRP CB C 27.3014 0.41 1 775 631 206 TRP N N 121.5476 0.06 1 776 632 207 ALA C C 178.7451 0.08 1 777 632 207 ALA CA C 54.728 0.15 1 778 632 207 ALA CB C 18.1453 0.41 1 779 633 208 SER H H 8.4225 0.01 1 780 633 208 SER C C 176.4367 0.08 1 781 633 208 SER CA C 59.6072 0.15 1 782 633 208 SER CB C 62.7238 0.41 1 783 633 208 SER N N 110.9926 0.06 1 784 634 209 LYS H H 7.0428 0.01 1 785 634 209 LYS C C 177.404 0.08 1 786 634 209 LYS CA C 56.7159 0.15 1 787 634 209 LYS CB C 31.9256 0.41 1 788 634 209 LYS N N 115.5194 0.06 1 789 635 210 ASN H H 7.1147 0.01 1 790 635 210 ASN C C 172.1118 0.08 1 791 635 210 ASN CA C 54.1337 0.15 1 792 635 210 ASN CB C 40.238 0.41 1 793 635 210 ASN N N 116.2975 0.06 1 794 636 211 TYR H H 7.3583 0.01 1 795 636 211 TYR C C 174.1088 0.08 1 796 636 211 TYR CA C 57.8025 0.15 1 797 636 211 TYR CB C 39.4539 0.41 1 798 636 211 TYR N N 118.9055 0.06 1 799 637 212 ASP H H 8.2887 0.01 1 800 637 212 ASP C C 174.0885 0.08 1 801 637 212 ASP CA C 57.3693 0.15 1 802 637 212 ASP CB C 40.8786 0.41 1 803 637 212 ASP N N 118.649 0.06 1 804 645 220 PRO C C 178.9157 0.08 1 805 645 220 PRO CA C 62.8567 0.15 1 806 645 220 PRO CB C 31.786 0.41 1 807 646 221 ILE H H 9.5134 0.01 1 808 646 221 ILE C C 176.4343 0.08 1 809 646 221 ILE CA C 59.62 0.15 1 810 646 221 ILE CB C 37.1089 0.41 1 811 646 221 ILE N N 130.4844 0.06 1 812 647 222 LEU H H 8.1452 0.01 1 813 647 222 LEU C C 177.3936 0.08 1 814 647 222 LEU CA C 55.4652 0.15 1 815 647 222 LEU CB C 39.6783 0.41 1 816 647 222 LEU N N 119.091 0.06 1 817 648 223 ALA H H 7.505 0.01 1 818 648 223 ALA C C 177.3196 0.08 1 819 648 223 ALA CA C 53.5161 0.15 1 820 648 223 ALA CB C 20.1502 0.41 1 821 648 223 ALA N N 120.4724 0.06 1 822 649 224 VAL H H 7.8021 0.01 1 823 649 224 VAL C C 175.9812 0.08 1 824 649 224 VAL CA C 58.9174 0.15 1 825 649 224 VAL CB C 36.4833 0.41 1 826 649 224 VAL N N 111.0902 0.06 1 827 650 225 THR H H 8.2502 0.01 1 828 650 225 THR C C 176.2682 0.08 1 829 650 225 THR CA C 62.7216 0.15 1 830 650 225 THR CB C 69.1411 0.41 1 831 650 225 THR N N 110.817 0.06 1 832 651 226 ASP H H 8.0747 0.01 1 833 651 226 ASP C C 177.154 0.08 1 834 651 226 ASP CA C 57.9629 0.15 1 835 651 226 ASP CB C 39.3212 0.41 1 836 651 226 ASP N N 120.8406 0.06 1 837 652 227 ALA H H 10.376 0.01 1 838 652 227 ALA C C 179.6919 0.08 1 839 652 227 ALA CA C 55.245 0.15 1 840 652 227 ALA N N 119.7361 0.06 1 841 653 228 ALA H H 7.9074 0.01 1 842 653 228 ALA C C 178.0041 0.08 1 843 653 228 ALA CA C 53.4032 0.15 1 844 653 228 ALA CB C 16.3819 0.41 1 845 653 228 ALA N N 119.2613 0.06 1 846 654 229 ILE H H 7.1571 0.01 1 847 654 229 ILE C C 179.2534 0.08 1 848 654 229 ILE CA C 63.5255 0.15 1 849 654 229 ILE CB C 37.4374 0.41 1 850 654 229 ILE N N 118.8363 0.06 1 851 655 230 VAL H H 7.9724 0.01 1 852 655 230 VAL C C 178.1586 0.08 1 853 655 230 VAL CA C 65.7487 0.15 1 854 655 230 VAL CB C 31.2837 0.41 1 855 655 230 VAL N N 119.0342 0.06 1 856 656 231 GLY H H 8.1949 0.01 1 857 656 231 GLY C C 173.8744 0.08 1 858 656 231 GLY CA C 46.0039 0.15 1 859 656 231 GLY N N 104.3321 0.06 1 860 657 232 ARG H H 6.9346 0.01 1 861 657 232 ARG C C 176.964 0.08 1 862 657 232 ARG CA C 57.3817 0.15 1 863 657 232 ARG CB C 28.7373 0.41 1 864 657 232 ARG N N 118.9297 0.06 1 865 658 233 HIS H H 8.2134 0.01 1 866 658 233 HIS C C 174.71 0.08 1 867 658 233 HIS CA C 55.3025 0.15 1 868 658 233 HIS CB C 30.6668 0.41 1 869 658 233 HIS N N 114.7405 0.06 1 870 659 234 VAL H H 6.9639 0.01 1 871 659 234 VAL C C 174.9266 0.08 1 872 659 234 VAL CA C 58.7438 0.15 1 873 659 234 VAL CB C 31.8692 0.41 1 874 659 234 VAL N N 110.5276 0.06 1 875 660 235 GLY H H 7.9144 0.01 1 876 660 235 GLY C C 174.0124 0.08 1 877 660 235 GLY CA C 45.245 0.15 1 878 660 235 GLY N N 109.7645 0.06 1 879 661 236 THR H H 7.2384 0.01 1 880 661 236 THR C C 171.5911 0.08 1 881 661 236 THR CA C 62.2776 0.15 1 882 661 236 THR CB C 71.5652 0.41 1 883 661 236 THR N N 116.7373 0.06 1 884 662 237 THR H H 8.6121 0.01 1 885 662 237 THR C C 173.3306 0.08 1 886 662 237 THR CA C 62.2685 0.15 1 887 662 237 THR CB C 69.799 0.41 1 888 662 237 THR N N 124.9861 0.06 1 889 663 238 LEU H H 8.4715 0.01 1 890 663 238 LEU C C 174.0336 0.08 1 891 663 238 LEU CA C 52.2987 0.15 1 892 663 238 LEU CB C 45.1161 0.41 1 893 663 238 LEU N N 123.9855 0.06 1 894 664 239 MET H H 7.5946 0.01 1 895 664 239 MET C C 174.3162 0.08 1 896 664 239 MET CA C 52.4541 0.15 1 897 664 239 MET CB C 36.3079 0.41 1 898 664 239 MET N N 119.4656 0.06 1 899 665 240 VAL H H 9.2148 0.01 1 900 665 240 VAL C C 172.8095 0.08 1 901 665 240 VAL CA C 62.1647 0.15 1 902 665 240 VAL CB C 31.9083 0.41 1 903 665 240 VAL N N 128.7785 0.06 1 904 666 241 ALA H H 9.0847 0.01 1 905 666 241 ALA C C 174.7294 0.08 1 906 666 241 ALA CA C 49.7455 0.15 1 907 666 241 ALA CB C 21.823 0.41 1 908 666 241 ALA N N 128.3067 0.06 1 909 667 242 ARG H H 10.1706 0.01 1 910 667 242 ARG C C 175.2881 0.08 1 911 667 242 ARG CA C 55.1454 0.15 1 912 667 242 ARG CB C 30.4761 0.41 1 913 667 242 ARG N N 124.2608 0.06 1 914 668 243 TYR H H 8.6205 0.01 1 915 668 243 TYR C C 174.5894 0.08 1 916 668 243 TYR CA C 58.9783 0.15 1 917 668 243 TYR CB C 38.7685 0.41 1 918 668 243 TYR N N 130.5546 0.06 1 919 669 244 ALA H H 8.5803 0.01 1 920 669 244 ALA CA C 54.0329 0.15 1 921 669 244 ALA CB C 16.908 0.41 1 922 669 244 ALA N N 125.5766 0.06 1 923 670 245 VAL H H 7.6054 0.01 1 924 670 245 VAL C C 176.5402 0.08 1 925 670 245 VAL CA C 63.8427 0.15 1 926 670 245 VAL CB C 34.1823 0.41 1 927 670 245 VAL N N 119.331 0.06 1 928 671 246 ASN H H 7.9516 0.01 1 929 671 246 ASN C C 174.1306 0.08 1 930 671 246 ASN CA C 54.2729 0.15 1 931 671 246 ASN CB C 40.7798 0.41 1 932 671 246 ASN N N 115.9249 0.06 1 933 672 247 THR H H 8.6308 0.01 1 934 672 247 THR C C 175.4155 0.08 1 935 672 247 THR CA C 58.7601 0.15 1 936 672 247 THR CB C 71.1595 0.41 1 937 672 247 THR N N 111.1132 0.06 1 938 673 248 LEU H H 8.6955 0.01 1 939 673 248 LEU C C 178.1179 0.08 1 940 673 248 LEU CA C 57.8932 0.15 1 941 673 248 LEU CB C 40.268 0.41 1 942 673 248 LEU N N 122.511 0.06 1 943 674 249 LYS H H 8.2462 0.01 1 944 674 249 LYS C C 180.062 0.08 1 945 674 249 LYS CA C 58.7172 0.15 1 946 674 249 LYS CB C 30.8974 0.41 1 947 674 249 LYS N N 118.7405 0.06 1 948 675 250 GLU H H 7.9727 0.01 1 949 675 250 GLU C C 180.553 0.08 1 950 675 250 GLU CA C 59.1137 0.15 1 951 675 250 GLU CB C 29.9352 0.41 1 952 675 250 GLU N N 121.7597 0.06 1 953 676 251 VAL H H 8.0101 0.01 1 954 676 251 VAL C C 177.3392 0.08 1 955 676 251 VAL CA C 66.9445 0.15 1 956 676 251 VAL CB C 30.4879 0.41 1 957 676 251 VAL N N 121.7748 0.06 1 958 677 252 GLU H H 9.1776 0.01 1 959 677 252 GLU C C 180.0065 0.08 1 960 677 252 GLU CA C 60.0255 0.15 1 961 677 252 GLU CB C 28.9717 0.41 1 962 677 252 GLU N N 119.827 0.06 1 963 678 253 THR H H 8.7249 0.01 1 964 678 253 THR C C 177.119 0.08 1 965 678 253 THR CA C 66.0916 0.15 1 966 678 253 THR CB C 67.9914 0.41 1 967 678 253 THR N N 116.1456 0.06 1 968 679 254 SER H H 7.7652 0.01 1 969 679 254 SER C C 174.9415 0.08 1 970 679 254 SER CA C 63.1917 0.15 1 971 679 254 SER N N 119.5043 0.06 1 972 680 255 LEU H H 8.4187 0.01 1 973 680 255 LEU C C 179.9193 0.08 1 974 680 255 LEU CA C 58.2235 0.15 1 975 680 255 LEU CB C 39.696 0.41 1 976 680 255 LEU N N 121.7476 0.06 1 977 681 256 SER H H 8.3212 0.01 1 978 681 256 SER CA C 61.038 0.15 1 979 681 256 SER CB C 62.0798 0.41 1 980 681 256 SER N N 116.0089 0.06 1 981 682 257 ARG H H 7.8184 0.01 1 982 682 257 ARG C C 179.967 0.08 1 983 682 257 ARG CA C 58.5682 0.15 1 984 682 257 ARG CB C 28.4724 0.41 1 985 682 257 ARG N N 122.0516 0.06 1 986 683 258 PHE H H 7.7778 0.01 1 987 683 258 PHE C C 178.676 0.08 1 988 683 258 PHE CA C 64.3834 0.15 1 989 683 258 PHE CB C 36.6694 0.41 1 990 683 258 PHE N N 119.6525 0.06 1 991 684 259 GLU H H 8.5101 0.01 1 992 684 259 GLU C C 181.2427 0.08 1 993 684 259 GLU CA C 59.7331 0.15 1 994 684 259 GLU CB C 28.3041 0.41 1 995 684 259 GLU N N 123.2266 0.06 1 996 685 260 GLN H H 8.5268 0.01 1 997 685 260 GLN C C 176.8572 0.08 1 998 685 260 GLN CA C 57.7163 0.15 1 999 685 260 GLN CB C 27.2862 0.41 1 1000 685 260 GLN N N 120.4268 0.06 1 1001 686 261 ASN H H 7.3276 0.01 1 1002 686 261 ASN C C 174.0457 0.08 1 1003 686 261 ASN CA C 53.6087 0.15 1 1004 686 261 ASN CB C 40.7175 0.41 1 1005 686 261 ASN N N 115.9691 0.06 1 1006 687 262 GLY H H 7.9452 0.01 1 1007 687 262 GLY C C 173.9806 0.08 1 1008 687 262 GLY CA C 46.1 0.15 1 1009 687 262 GLY N N 109.1376 0.06 1 1010 688 263 ILE H H 7.8782 0.01 1 1011 688 263 ILE C C 173.0153 0.08 1 1012 688 263 ILE CA C 56.2109 0.15 1 1013 688 263 ILE CB C 38.0431 0.41 1 1014 688 263 ILE N N 122.7852 0.06 1 1015 689 264 PRO C C 176.7468 0.08 1 1016 689 264 PRO CA C 61.5136 0.15 1 1017 689 264 PRO CB C 31.1123 0.41 1 1018 690 265 VAL H H 8.2455 0.01 1 1019 690 265 VAL C C 176.001 0.08 1 1020 690 265 VAL CA C 61.3484 0.15 1 1021 690 265 VAL CB C 31.8098 0.41 1 1022 690 265 VAL N N 124.703 0.06 1 1023 691 266 LYS H H 8.4438 0.01 1 1024 691 266 LYS C C 176.7037 0.08 1 1025 691 266 LYS CA C 56.8539 0.15 1 1026 691 266 LYS CB C 30.8791 0.41 1 1027 691 266 LYS N N 130.5882 0.06 1 1028 692 267 GLY H H 6.7442 0.01 1 1029 692 267 GLY C C 170.3858 0.08 1 1030 692 267 GLY CA C 44.4796 0.15 1 1031 692 267 GLY N N 100.827 0.06 1 1032 693 268 VAL H H 8.8 0.01 1 1033 693 268 VAL C C 175.3785 0.08 1 1034 693 268 VAL CA C 58.8277 0.15 1 1035 693 268 VAL CB C 35.028 0.41 1 1036 693 268 VAL N N 117.7933 0.06 1 1037 694 269 ILE H H 8.8934 0.01 1 1038 694 269 ILE C C 173.8979 0.08 1 1039 694 269 ILE CA C 58.9794 0.15 1 1040 694 269 ILE CB C 39.487 0.41 1 1041 694 269 ILE N N 127.0549 0.06 1 1042 695 270 LEU H H 8.6417 0.01 1 1043 695 270 LEU C C 173.9081 0.08 1 1044 695 270 LEU CA C 53.495 0.15 1 1045 695 270 LEU CB C 42.492 0.41 1 1046 695 270 LEU N N 130.2891 0.06 1 1047 696 271 ASN H H 9.2672 0.01 1 1048 696 271 ASN C C 173.3133 0.08 1 1049 696 271 ASN CA C 52.0003 0.15 1 1050 696 271 ASN CB C 43.2318 0.41 1 1051 696 271 ASN N N 123.9754 0.06 1 1052 697 272 SER H H 7.6712 0.01 1 1053 697 272 SER C C 173.1855 0.08 1 1054 697 272 SER CA C 58.0994 0.15 1 1055 697 272 SER N N 121.0583 0.06 1 1056 699 274 PHE C C 172.7687 0.08 1 1057 699 274 PHE CA C 55.0464 0.15 1 1058 699 274 PHE CB C 40.1364 0.41 1 1059 700 275 ARG H H 8.3665 0.01 1 1060 700 275 ARG C C 175.6797 0.08 1 1061 700 275 ARG CA C 55.0618 0.15 1 1062 700 275 ARG CB C 29.9398 0.41 1 1063 700 275 ARG N N 122.0404 0.06 1 1064 701 276 ARG H H 8.4271 0.01 1 1065 701 276 ARG C C 175.9884 0.08 1 1066 701 276 ARG CA C 55.8919 0.15 1 1067 701 276 ARG CB C 30.0169 0.41 1 1068 701 276 ARG N N 125.8036 0.06 1 1069 702 277 ALA H H 8.4878 0.01 1 1070 702 277 ALA C C 177.7473 0.08 1 1071 702 277 ALA CA C 52.2472 0.15 1 1072 702 277 ALA CB C 18.4522 0.41 1 1073 702 277 ALA N N 126.5102 0.06 1 1074 703 278 SER H H 8.1311 0.01 1 1075 703 278 SER C C 174.3184 0.08 1 1076 703 278 SER CA C 57.8649 0.15 1 1077 703 278 SER CB C 63.2704 0.41 1 1078 703 278 SER N N 115.2277 0.06 1 1079 704 279 ALA H H 8.23 0.01 1 1080 704 279 ALA C C 177.3864 0.08 1 1081 704 279 ALA CA C 52.2128 0.15 1 1082 704 279 ALA CB C 18.2611 0.41 1 1083 704 279 ALA N N 125.9 0.06 1 1084 705 280 TYR H H 7.8665 0.01 1 1085 705 280 TYR C C 175.8606 0.08 1 1086 705 280 TYR CA C 57.345 0.15 1 1087 705 280 TYR CB C 37.7584 0.41 1 1088 705 280 TYR N N 118.2196 0.06 1 1089 706 281 GLN H H 8.1061 0.01 1 1090 706 281 GLN C C 175.3185 0.08 1 1091 706 281 GLN CA C 55.5143 0.15 1 1092 706 281 GLN CB C 28.5077 0.41 1 1093 706 281 GLN N N 120.5719 0.06 1 1094 707 282 ASP H H 8.1267 0.01 1 1095 707 282 ASP C C 175.8827 0.08 1 1096 707 282 ASP CA C 53.8352 0.15 1 1097 707 282 ASP CB C 40.4543 0.41 1 1098 707 282 ASP N N 121.1736 0.06 1 1099 708 283 TYR H H 8.0469 0.01 1 1100 708 283 TYR C C 176.2115 0.08 1 1101 708 283 TYR CA C 57.5033 0.15 1 1102 708 283 TYR CB C 37.7518 0.41 1 1103 708 283 TYR N N 120.7224 0.06 1 1104 709 284 GLY H H 8.2449 0.01 1 1105 709 284 GLY C C 173.6934 0.08 1 1106 709 284 GLY CA C 44.8799 0.15 1 1107 709 284 GLY N N 109.7134 0.06 1 1108 710 285 TYR H H 7.8339 0.01 1 1109 710 285 TYR C C 173.668 0.08 1 1110 710 285 TYR CA C 54.8765 0.15 1 1111 710 285 TYR CB C 41.4544 0.41 1 1112 710 285 TYR N N 122.2755 0.06 1 1113 711 286 TYR C C 175.5443 0.08 1 1114 711 286 TYR CA C 57.5401 0.15 1 1115 711 286 TYR CB C 38.1164 0.41 1 1116 712 287 GLU H H 8.3115 0.01 1 1117 712 287 GLU C C 175.5407 0.08 1 1118 712 287 GLU CA C 56.0487 0.15 1 1119 712 287 GLU CB C 29.3739 0.41 1 1120 712 287 GLU N N 122.2664 0.06 1 1121 713 288 TYR H H 8.1488 0.01 1 1122 713 288 TYR C C 175.3736 0.08 1 1123 713 288 TYR CA C 55.1112 0.15 1 1124 713 288 TYR CB C 38.3067 0.41 1 1125 713 288 TYR N N 123.077 0.06 1 1126 714 289 GLU H H 8.1961 0.01 1 1127 714 289 GLU C C 175.6162 0.08 1 1128 714 289 GLU CA C 55.5686 0.15 1 1129 714 289 GLU CB C 29.6041 0.41 1 1130 714 289 GLU N N 122.4443 0.06 1 1131 715 290 TYR H H 8.053 0.01 1 1132 715 290 TYR C C 175.5115 0.08 1 1133 715 290 TYR CA C 57.4682 0.15 1 1134 715 290 TYR CB C 37.8721 0.41 1 1135 715 290 TYR N N 122.5306 0.06 1 1136 716 291 LYS H H 8.0741 0.01 1 1137 716 291 LYS C C 176.1233 0.08 1 1138 716 291 LYS CA C 55.421 0.15 1 1139 716 291 LYS CB C 32.2436 0.41 1 1140 716 291 LYS N N 124.6247 0.06 1 1141 717 292 SER H H 8.2048 0.01 1 1142 717 292 SER C C 174.303 0.08 1 1143 717 292 SER CA C 57.8792 0.15 1 1144 717 292 SER CB C 63.2668 0.41 1 1145 717 292 SER N N 117.7661 0.06 1 1146 718 293 ASP H H 8.2589 0.01 1 1147 718 293 ASP C C 175.6548 0.08 1 1148 718 293 ASP CA C 53.7186 0.15 1 1149 718 293 ASP CB C 40.3877 0.41 1 1150 718 293 ASP N N 122.9286 0.06 1 1151 719 294 ALA H H 7.9749 0.01 1 1152 719 294 ALA C C 176.6453 0.08 1 1153 719 294 ALA CA C 52.0434 0.15 1 1154 719 294 ALA CB C 18.3226 0.41 1 1155 719 294 ALA N N 124.7421 0.06 1 1156 720 295 LYS H H 7.7669 0.01 1 1157 720 295 LYS C C 181.4178 0.08 1 1158 720 295 LYS CA C 57.1497 0.15 1 1159 720 295 LYS CB C 32.6049 0.41 1 1160 720 295 LYS N N 126.5729 0.06 1 stop_ save_