data_6306 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mainchain proton and nitrogen chemical shifts for the C-domain of human RanGAP1 linked via an isopeptide at Lys524 to Gly97 of human Sumo-1 ; _BMRB_accession_number 6306 _BMRB_flat_file_name bmr6306.str _Entry_type original _Submission_date 2004-08-27 _Accession_date 2004-08-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macauley Matthew S. . 2 Errington Wesley J. . 3 Okon Mark . . 4 Scharpf Manuela . . 5 Mackereth Cameron D. . 6 Schulman Brenda A. . 7 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 154 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6304 SUMO-1 6305 'RanGAP1 C-domain' stop_ _Original_release_date 2004-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Dynamic Independence of Isopeptide-linked RanGAP1 and SUMO-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15355965 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macauley Matthew S. . 2 Errington Wesley J. . 3 Okon Mark . . 4 Scharpf Manuela . . 5 Mackereth Cameron D. . 6 Schulman Brenda A. . 7 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49131 _Page_last 49137 _Year 2004 _Details . loop_ _Keyword Sumo-1 RanGAP1 Isopeptide stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'RanGAP1 C-domain' _Abbreviation_common 'RanGAP1 C-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sumoylated RanGAP1' $Sumoylated_RanGAP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'C-domain of Ran GTP-activating protein, site of sumoylation' stop_ _Database_query_date . _Details ; C-domain (residues 420-587) of human RanGAP1, linked at via an isopeptide at Lys524 to the C-terminal Gly97 of human Sumo-1 ; save_ ######################## # Monomeric polymers # ######################## save_Sumoylated_RanGAP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sumoylated RanGAP1' _Name_variant 'RanGAP1 C-domain' _Abbreviation_common 'RanGAP1 C-domain' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Ran-GTP activating protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GSHMGEPAPVLSSPPPADVS TFLAFPSPEKLLRLGPKSSV LIAQQTDTSDPEKVVSAFLK VSSVFKDEATVRMAVQDAVD ALMQKAFNSSSFNSNTFLTR LLVHMGLLKSEDKVKAIANL YGPLMALNHMVQQDYFPKAL APLLLAFVTKPNSALESCSF ARHSLLQTLYKV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 420 GLY 6 421 GLU 7 422 PRO 8 423 ALA 9 424 PRO 10 425 VAL 11 426 LEU 12 427 SER 13 428 SER 14 429 PRO 15 430 PRO 16 431 PRO 17 432 ALA 18 433 ASP 19 434 VAL 20 435 SER 21 436 THR 22 437 PHE 23 438 LEU 24 439 ALA 25 440 PHE 26 441 PRO 27 442 SER 28 443 PRO 29 444 GLU 30 445 LYS 31 446 LEU 32 447 LEU 33 448 ARG 34 449 LEU 35 450 GLY 36 451 PRO 37 452 LYS 38 453 SER 39 454 SER 40 455 VAL 41 456 LEU 42 457 ILE 43 458 ALA 44 459 GLN 45 460 GLN 46 461 THR 47 462 ASP 48 463 THR 49 464 SER 50 465 ASP 51 466 PRO 52 467 GLU 53 468 LYS 54 469 VAL 55 470 VAL 56 471 SER 57 472 ALA 58 473 PHE 59 474 LEU 60 475 LYS 61 476 VAL 62 477 SER 63 478 SER 64 479 VAL 65 480 PHE 66 481 LYS 67 482 ASP 68 483 GLU 69 484 ALA 70 485 THR 71 486 VAL 72 487 ARG 73 488 MET 74 489 ALA 75 490 VAL 76 491 GLN 77 492 ASP 78 493 ALA 79 494 VAL 80 495 ASP 81 496 ALA 82 497 LEU 83 498 MET 84 499 GLN 85 500 LYS 86 501 ALA 87 502 PHE 88 503 ASN 89 504 SER 90 505 SER 91 506 SER 92 507 PHE 93 508 ASN 94 509 SER 95 510 ASN 96 511 THR 97 512 PHE 98 513 LEU 99 514 THR 100 515 ARG 101 516 LEU 102 517 LEU 103 518 VAL 104 519 HIS 105 520 MET 106 521 GLY 107 522 LEU 108 523 LEU 109 524 LYS 110 525 SER 111 526 GLU 112 527 ASP 113 528 LYS 114 529 VAL 115 530 LYS 116 531 ALA 117 532 ILE 118 533 ALA 119 534 ASN 120 535 LEU 121 536 TYR 122 537 GLY 123 538 PRO 124 539 LEU 125 540 MET 126 541 ALA 127 542 LEU 128 543 ASN 129 544 HIS 130 545 MET 131 546 VAL 132 547 GLN 133 548 GLN 134 549 ASP 135 550 TYR 136 551 PHE 137 552 PRO 138 553 LYS 139 554 ALA 140 555 LEU 141 556 ALA 142 557 PRO 143 558 LEU 144 559 LEU 145 560 LEU 146 561 ALA 147 562 PHE 148 563 VAL 149 564 THR 150 565 LYS 151 566 PRO 152 567 ASN 153 568 SER 154 569 ALA 155 570 LEU 156 571 GLU 157 572 SER 158 573 CYS 159 574 SER 160 575 PHE 161 576 ALA 162 577 ARG 163 578 HIS 164 579 SER 165 580 LEU 166 581 LEU 167 582 GLN 168 583 THR 169 584 LEU 170 585 TYR 171 586 LYS 172 587 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6305 RanGAP1 100.00 172 99.42 99.42 7.50e-118 PDB 1Z5S "Crystal Structure Of A Complex Between Ubc9, Sumo-1, Rangap1 And Nup358RANBP2" 98.84 172 98.82 99.41 2.96e-115 PDB 2GRN "Crystal Structure Of Human Rangap1-Ubc9" 97.67 170 100.00 100.00 2.82e-115 PDB 2GRO "Crystal Structure Of Human Rangap1-Ubc9-N85q" 97.67 170 100.00 100.00 2.82e-115 PDB 2GRP "Crystal Structure Of Human Rangap1-Ubc9-Y87a" 97.67 170 100.00 100.00 2.82e-115 PDB 2GRQ "Crystal Structure Of Human Rangap1-Ubc9-D127a" 97.67 170 100.00 100.00 2.82e-115 PDB 2GRR "Crystal Structure Of Human Rangap1-Ubc9-D127s" 97.67 170 100.00 100.00 2.82e-115 PDB 2IO2 "Crystal Structure Of Human Senp2 In Complex With Rangap1-sumo-1" 98.84 172 98.24 98.82 1.09e-113 PDB 2IO3 "Crystal Structure Of Human Senp2 In Complex With Rangap1- Sumo-2" 98.84 172 98.24 98.82 1.09e-113 PDB 2IY0 "Senp1 (Mutant) Sumo1 Rangap" 90.70 156 100.00 100.00 4.50e-106 PDB 3UIN "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" 97.67 171 100.00 100.00 2.54e-115 PDB 3UIO "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" 97.67 171 100.00 100.00 2.54e-115 PDB 3UIP "Complex Between Human Rangap1-sumo1, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" 97.67 171 100.00 100.00 2.54e-115 DBJ BAB47464 "KIAA1835 protein [Homo sapiens]" 98.84 623 98.82 99.41 6.35e-112 DBJ BAG10161 "Ran GTPase-activating protein 1 [synthetic construct]" 98.84 587 98.82 99.41 8.68e-113 DBJ BAG63578 "unnamed protein product [Homo sapiens]" 98.84 532 98.82 99.41 1.10e-112 DBJ BAG64552 "unnamed protein product [Homo sapiens]" 98.84 373 98.82 99.41 8.39e-115 EMBL CAA57714 "RanGAP1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 EMBL CAG30443 "RANGAP1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 EMBL CAK54588 "RANGAP1 [synthetic construct]" 98.84 587 98.82 99.41 8.68e-113 EMBL CAK54887 "RANGAP1 [synthetic construct]" 98.84 587 98.82 99.41 8.68e-113 GB AAH04990 "Unknown (protein for IMAGE:2905857), partial [Homo sapiens]" 98.84 213 98.82 99.41 4.29e-116 GB AAH14044 "Ran GTPase activating protein 1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 GB AAH41396 "RANGAP1 protein [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 GB AIC55014 "RANGAP1, partial [synthetic construct]" 98.84 587 98.82 99.41 8.68e-113 GB EAW60420 "Ran GTPase activating protein 1, isoform CRA_a [Homo sapiens]" 98.26 669 98.82 99.41 3.21e-110 REF NP_001265580 "ran GTPase-activating protein 1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 REF NP_002874 "ran GTPase-activating protein 1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 REF XP_004063574 "PREDICTED: ran GTPase-activating protein 1 isoform 1 [Gorilla gorilla gorilla]" 97.67 587 97.02 98.81 3.45e-108 REF XP_004063575 "PREDICTED: ran GTPase-activating protein 1 isoform 2 [Gorilla gorilla gorilla]" 97.67 587 97.02 98.81 3.45e-108 REF XP_004063576 "PREDICTED: ran GTPase-activating protein 1 isoform 3 [Gorilla gorilla gorilla]" 97.67 587 97.02 98.81 3.45e-108 SP P46060 "RecName: Full=Ran GTPase-activating protein 1; Short=RanGAP1 [Homo sapiens]" 98.84 587 98.82 99.41 8.68e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sumoylated_RanGAP1 Human 9606 Eukaryota Animalia Homo sapian 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 $Sumoylated_RanGAP1 'recombinant technology' 'E. coli' Escherichia coli BL21 pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sumoylated_RanGAP1 . mM . KCl 100 mM . KPhos 10 mM . DTT 2 mM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Saveframe_category software _Name NMRpipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 .1 pH temperature 290 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'outside sample' parallel . DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'outside sample' parallel 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sumoylated RanGAP1' _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 1 420 5 GLY H H 8.548 0.02 1 2 420 5 GLY N N 110.892 0.1 1 3 421 6 GLU H H 8.199 0.02 1 4 421 6 GLU N N 121.798 0.1 1 5 423 8 ALA H H 8.432 0.02 1 6 423 8 ALA N N 125.97 0.1 1 7 425 10 VAL H H 8.341 0.02 1 8 425 10 VAL N N 121.461 0.1 1 9 426 11 LEU H H 8.47 0.02 1 10 426 11 LEU N N 127.045 0.1 1 11 427 12 SER H H 8.34 0.02 1 12 427 12 SER N N 117.161 0.1 1 13 428 13 SER H H 8.328 0.02 1 14 428 13 SER N N 118.881 0.1 1 15 432 17 ALA H H 8.473 0.02 1 16 432 17 ALA N N 123.637 0.1 1 17 433 18 ASP H H 8.224 0.02 1 18 433 18 ASP N N 119.339 0.1 1 19 434 19 VAL H H 8.429 0.02 1 20 434 19 VAL N N 123.043 0.1 1 21 435 20 SER H H 8.29 0.02 1 22 435 20 SER N N 116.654 0.1 1 23 436 21 THR H H 8.303 0.02 1 24 436 21 THR N N 118.724 0.1 1 25 437 22 PHE H H 7.676 0.02 1 26 437 22 PHE N N 122.346 0.1 1 27 438 23 LEU H H 7.883 0.02 1 28 438 23 LEU N N 114.858 0.1 1 29 439 24 ALA H H 7.553 0.02 1 30 439 24 ALA N N 119.412 0.1 1 31 440 25 PHE H H 7.385 0.02 1 32 440 25 PHE N N 114.869 0.1 1 33 442 27 SER H H 7.203 0.02 1 34 442 27 SER N N 114.619 0.1 1 35 444 29 GLU H H 8.785 0.02 1 36 444 29 GLU N N 116.543 0.1 1 37 445 30 LYS H H 7.854 0.02 1 38 445 30 LYS N N 117.837 0.1 1 39 446 31 LEU H H 7.659 0.02 1 40 446 31 LEU N N 119.74 0.1 1 41 447 32 LEU H H 8.003 0.02 1 42 447 32 LEU N N 119.048 0.1 1 43 448 33 ARG H H 7.906 0.02 1 44 448 33 ARG N N 118.782 0.1 1 45 449 34 LEU H H 7.307 0.02 1 46 449 34 LEU N N 118.198 0.1 1 47 450 35 GLY H H 7.436 0.02 1 48 450 35 GLY N N 104.061 0.1 1 49 452 37 LYS H H 8.947 0.02 1 50 452 37 LYS N N 118.361 0.1 1 51 453 38 SER H H 7.97 0.02 1 52 453 38 SER N N 115.851 0.1 1 53 454 39 SER H H 7.834 0.02 1 54 454 39 SER N N 115.374 0.1 1 55 455 40 VAL H H 6.981 0.02 1 56 455 40 VAL N N 121.397 0.1 1 57 456 41 LEU H H 8.045 0.02 1 58 456 41 LEU N N 119.915 0.1 1 59 457 42 ILE H H 8.165 0.02 1 60 457 42 ILE N N 118.608 0.1 1 61 458 43 ALA H H 7.592 0.02 1 62 458 43 ALA N N 122.454 0.1 1 63 459 44 GLN H H 8.552 0.02 1 64 459 44 GLN N N 115.739 0.1 1 65 460 45 GLN H H 7.421 0.02 1 66 460 45 GLN N N 114.922 0.1 1 67 461 46 THR H H 7.327 0.02 1 68 461 46 THR N N 117.138 0.1 1 69 462 47 ASP H H 8.614 0.02 1 70 462 47 ASP N N 125.896 0.1 1 71 463 48 THR H H 7.634 0.02 1 72 463 48 THR N N 113.681 0.1 1 73 464 49 SER H H 8.181 0.02 1 74 464 49 SER N N 114.122 0.1 1 75 465 50 ASP H H 7.244 0.02 1 76 465 50 ASP N N 121.516 0.1 1 77 467 52 GLU H H 8.125 0.02 1 78 467 52 GLU N N 117.475 0.1 1 79 468 53 LYS H H 7.586 0.02 1 80 468 53 LYS N N 118.958 0.1 1 81 469 54 VAL H H 7.957 0.02 1 82 469 54 VAL N N 121.505 0.1 1 83 470 55 VAL H H 8.7 0.02 1 84 470 55 VAL N N 120.976 0.1 1 85 471 56 SER H H 7.901 0.02 1 86 471 56 SER N N 112.106 0.1 1 87 472 57 ALA H H 7.843 0.02 1 88 472 57 ALA N N 121.813 0.1 1 89 473 58 PHE H H 9.002 0.02 1 90 473 58 PHE N N 118.443 0.1 1 91 474 59 LEU H H 8.919 0.02 1 92 474 59 LEU N N 121.301 0.1 1 93 475 60 LYS H H 8.364 0.02 1 94 475 60 LYS N N 121.321 0.1 1 95 476 61 VAL H H 8.391 0.02 1 96 476 61 VAL N N 117.371 0.1 1 97 477 62 SER H H 8.091 0.02 1 98 477 62 SER N N 111.434 0.1 1 99 478 63 SER H H 7.752 0.02 1 100 478 63 SER N N 115.821 0.1 1 101 479 64 VAL H H 7.097 0.02 1 102 479 64 VAL N N 114.103 0.1 1 103 480 65 PHE H H 7.401 0.02 1 104 480 65 PHE N N 118.58 0.1 1 105 481 66 LYS H H 6.107 0.02 1 106 481 66 LYS N N 124.997 0.1 1 107 482 67 ASP H H 8.5 0.02 1 108 482 67 ASP N N 118.805 0.1 1 109 483 68 GLU H H 7.638 0.02 1 110 483 68 GLU N N 122.101 0.1 1 111 484 69 ALA H H 8.666 0.02 1 112 484 69 ALA N N 127.924 0.1 1 113 485 70 THR H H 8.519 0.02 1 114 485 70 THR N N 110.357 0.1 1 115 486 71 VAL H H 7.507 0.02 1 116 486 71 VAL N N 122.884 0.1 1 117 487 72 ARG H H 8.598 0.02 1 118 487 72 ARG N N 120.999 0.1 1 119 488 73 MET H H 8.125 0.02 1 120 488 73 MET N N 115.45 0.1 1 121 489 74 ALA H H 7.354 0.02 1 122 489 74 ALA N N 120.716 0.1 1 123 490 75 VAL H H 8.718 0.02 1 124 490 75 VAL N N 119.269 0.1 1 125 491 76 GLN H H 8.447 0.02 1 126 491 76 GLN N N 118.398 0.1 1 127 492 77 ASP H H 8.758 0.02 1 128 492 77 ASP N N 117.598 0.1 1 129 493 78 ALA H H 7.672 0.02 1 130 493 78 ALA N N 123.323 0.1 1 131 494 79 VAL H H 8.674 0.02 1 132 494 79 VAL N N 119.287 0.1 1 133 495 80 ASP H H 8.564 0.02 1 134 495 80 ASP N N 118.97 0.1 1 135 496 81 ALA H H 8.042 0.02 1 136 496 81 ALA N N 121.752 0.1 1 137 497 82 LEU H H 8.026 0.02 1 138 497 82 LEU N N 118.732 0.1 1 139 498 83 MET H H 8.685 0.02 1 140 498 83 MET N N 113.749 0.1 1 141 499 84 GLN H H 8.307 0.02 1 142 499 84 GLN N N 119.928 0.1 1 143 500 85 LYS H H 6.762 0.02 1 144 500 85 LYS N N 117.422 0.1 1 145 501 86 ALA H H 7.896 0.02 1 146 501 86 ALA N N 121.61 0.1 1 147 502 87 PHE H H 8.497 0.02 1 148 502 87 PHE N N 111.863 0.1 1 149 503 88 ASN H H 7.393 0.02 1 150 503 88 ASN N N 115.518 0.1 1 151 504 89 SER H H 7.593 0.02 1 152 504 89 SER N N 115.624 0.1 1 153 505 90 SER H H 9.182 0.02 1 154 505 90 SER N N 123.901 0.1 1 155 506 91 SER H H 8.236 0.02 1 156 506 91 SER N N 114.649 0.1 1 157 507 92 PHE H H 7.55 0.02 1 158 507 92 PHE N N 124.199 0.1 1 159 508 93 ASN H H 7.752 0.02 1 160 508 93 ASN N N 127.349 0.1 1 161 509 94 SER H H 8.678 0.02 1 162 509 94 SER N N 122.584 0.1 1 163 510 95 ASN H H 8.222 0.02 1 164 510 95 ASN N N 121.658 0.1 1 165 511 96 THR H H 8.133 0.02 1 166 511 96 THR N N 119.381 0.1 1 167 512 97 PHE H H 7.898 0.02 1 168 512 97 PHE N N 119.465 0.1 1 169 513 98 LEU H H 7.996 0.02 1 170 513 98 LEU N N 118.837 0.1 1 171 514 99 THR H H 8.226 0.02 1 172 514 99 THR N N 113.676 0.1 1 173 515 100 ARG H H 8.382 0.02 1 174 515 100 ARG N N 117.056 0.1 1 175 516 101 LEU H H 8.528 0.02 1 176 516 101 LEU N N 123.707 0.1 1 177 517 102 LEU H H 7.987 0.02 1 178 517 102 LEU N N 118.235 0.1 1 179 518 103 VAL H H 8.339 0.02 1 180 518 103 VAL N N 121.847 0.1 1 181 519 104 HIS H H 8.514 0.02 1 182 519 104 HIS N N 120.031 0.1 1 183 520 105 MET H H 8.155 0.02 1 184 520 105 MET N N 115.257 0.1 1 185 521 106 GLY H H 7.894 0.02 1 186 521 106 GLY N N 105.898 0.1 1 187 522 107 LEU H H 8.091 0.02 1 188 522 107 LEU N N 116.902 0.1 1 189 523 108 LEU H H 6.831 0.02 1 190 523 108 LEU N N 120.421 0.1 1 191 524 109 LYS H H 8.403 0.02 1 192 524 109 LYS N N 125.069 0.1 1 193 524 109 LYS HZ H 7.897 0.02 1 194 524 109 LYS NZ N 120.962 0.1 1 195 525 110 SER H H 8.29 0.02 1 196 525 110 SER N N 116.654 0.1 1 197 526 111 GLU H H 8.869 0.02 1 198 526 111 GLU N N 120.714 0.1 1 199 527 112 ASP H H 8.638 0.02 1 200 527 112 ASP N N 117.031 0.1 1 201 528 113 LYS H H 8.277 0.02 1 202 528 113 LYS N N 120.81 0.1 1 203 529 114 VAL H H 7.935 0.02 1 204 529 114 VAL N N 122.634 0.1 1 205 530 115 LYS H H 8.573 0.02 1 206 530 115 LYS N N 127.585 0.1 1 207 531 116 ALA H H 8.561 0.02 1 208 531 116 ALA N N 129.69 0.1 1 209 532 117 ILE H H 8.026 0.02 1 210 532 117 ILE N N 119.048 0.1 1 211 533 118 ALA H H 8.261 0.02 1 212 533 118 ALA N N 124.927 0.1 1 213 534 119 ASN H H 7.745 0.02 1 214 534 119 ASN N N 114.963 0.1 1 215 535 120 LEU H H 8.922 0.02 1 216 535 120 LEU N N 123.545 0.1 1 217 536 121 TYR H H 8.281 0.02 1 218 536 121 TYR N N 122.58 0.1 1 219 537 122 GLY H H 9.019 0.02 1 220 537 122 GLY N N 105.209 0.1 1 221 539 124 LEU H H 8.331 0.02 1 222 539 124 LEU N N 115.537 0.1 1 223 540 125 MET H H 8.111 0.02 1 224 540 125 MET N N 118.521 0.1 1 225 541 126 ALA H H 8.978 0.02 1 226 541 126 ALA N N 125.105 0.1 1 227 542 127 LEU H H 8.843 0.02 1 228 542 127 LEU N N 121.029 0.1 1 229 543 128 ASN H H 8.29 0.02 1 230 543 128 ASN N N 116.934 0.1 1 231 544 129 HIS H H 7.33 0.02 1 232 544 129 HIS N N 114.268 0.1 1 233 545 130 MET H H 8.641 0.02 1 234 545 130 MET N N 120.58 0.1 1 235 546 131 VAL H H 7.993 0.02 1 236 546 131 VAL N N 110.022 0.1 1 237 547 132 GLN H H 6.659 0.02 1 238 547 132 GLN N N 113.16 0.1 1 239 548 133 GLN H H 7.435 0.02 1 240 548 133 GLN N N 117.336 0.1 1 241 549 134 ASP H H 8.89 0.02 1 242 549 134 ASP N N 122.581 0.1 1 243 550 135 TYR H H 6.771 0.02 1 244 550 135 TYR N N 111.162 0.1 1 245 551 136 PHE H H 7.053 0.02 1 246 551 136 PHE N N 125.988 0.1 1 247 553 138 LYS H H 8.416 0.02 1 248 553 138 LYS N N 126.625 0.1 1 249 554 139 ALA H H 8.645 0.02 1 250 554 139 ALA N N 121.14 0.1 1 251 555 140 LEU H H 7.729 0.02 1 252 555 140 LEU N N 114.312 0.1 1 253 556 141 ALA H H 7.921 0.02 1 254 556 141 ALA N N 121.575 0.1 1 255 558 143 LEU H H 6.98 0.02 1 256 558 143 LEU N N 118.605 0.1 1 257 559 144 LEU H H 7.739 0.02 1 258 559 144 LEU N N 118.149 0.1 1 259 560 145 LEU H H 8.67 0.02 1 260 560 145 LEU N N 118.989 0.1 1 261 561 146 ALA H H 7.705 0.02 1 262 561 146 ALA N N 120.603 0.1 1 263 562 147 PHE H H 7.634 0.02 1 264 562 147 PHE N N 113.681 0.1 1 265 563 148 VAL H H 8.348 0.02 1 266 563 148 VAL N N 115.975 0.1 1 267 564 149 THR H H 7.658 0.02 1 268 564 149 THR N N 111.759 0.1 1 269 565 150 LYS H H 6.847 0.02 1 270 565 150 LYS N N 123.339 0.1 1 271 569 154 ALA H H 8.489 0.02 1 272 569 154 ALA N N 125.503 0.1 1 273 570 155 LEU H H 7.979 0.02 1 274 570 155 LEU N N 116.717 0.1 1 275 571 156 GLU H H 7.854 0.02 1 276 571 156 GLU N N 117.837 0.1 1 277 572 157 SER H H 7.779 0.02 1 278 572 157 SER N N 112.432 0.1 1 279 573 158 CYS H H 7.594 0.02 1 280 573 158 CYS N N 121.57 0.1 1 281 574 159 SER H H 7.808 0.02 1 282 574 159 SER N N 115.374 0.1 1 283 575 160 PHE H H 8.902 0.02 1 284 575 160 PHE N N 123.44 0.1 1 285 576 161 ALA H H 8.455 0.02 1 286 576 161 ALA N N 124.604 0.1 1 287 577 162 ARG H H 8.532 0.02 1 288 577 162 ARG N N 118.004 0.1 1 289 578 163 HIS H H 8.539 0.02 1 290 578 163 HIS N N 117.095 0.1 1 291 579 164 SER H H 8.111 0.02 1 292 579 164 SER N N 115.309 0.1 1 293 580 165 LEU H H 7.646 0.02 1 294 580 165 LEU N N 121.821 0.1 1 295 581 166 LEU H H 8.198 0.02 1 296 581 166 LEU N N 118.643 0.1 1 297 582 167 GLN H H 7.775 0.02 1 298 582 167 GLN N N 114.655 0.1 1 299 583 168 THR H H 7.854 0.02 1 300 583 168 THR N N 117.837 0.1 1 301 584 169 LEU H H 8.419 0.02 1 302 584 169 LEU N N 121.595 0.1 1 303 585 170 TYR H H 8.168 0.02 1 304 585 170 TYR N N 117.227 0.1 1 305 586 171 LYS H H 7.461 0.02 1 306 586 171 LYS N N 117.616 0.1 1 307 587 172 VAL H H 7.193 0.02 1 308 587 172 VAL N N 124.785 0.1 1 stop_ save_