data_19496 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HN, NH, CA, CB and methyl group assignments of Filamin A three Ig-domain fragment FLNa3-5 ; _BMRB_accession_number 19496 _BMRB_flat_file_name bmr19496.str _Entry_type original _Submission_date 2013-09-16 _Accession_date 2013-09-16 _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 Tossavainen Helena . . 2 Permi Perttu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 398 "13C chemical shifts" 670 "15N chemical shifts" 258 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19495 FLNc4-5 stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'H(N), N(H), C (), C (), and methyl group assignments of filamin multidomain fragments IgFLNc4-5 and IgFLNa3-5.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24414222 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tossavainen Helena . . 2 Seppala Jonne . . 3 Sethi Ritika . . 4 Pihlajamaa Tero . . 5 Permi Perttu . . 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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FLNa3-5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FLNa3-5 $FLNa3-5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FLNa3-5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FLNa3-5 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 291 _Mol_residue_sequence ; SMCNPSACRAVGRGLQPKGV RVKETADFKVYTKGAGSGEL KVTVKGPKGEERVKQKDLGD GVYGFEYYPMVPGTYIVTIT WGGQNIGRSPFEVKVGTECG NQKVRAWGPGLEGGVVGKSA DFVVEAIGDDVGTLGFSVEG PSQAKIECDDKGDGSCDVRY WPQEAGEYAVHVLCNSEDIR LSPFMADIRDAPQDFHPDRV KARGPGLEKTGVAVNKPAEF TVDAKHGGKAPLRVQVQDNE GCPVEALVKDNGNGTYSCSY VPRKPVKHTAMVSWGGVSIP NSPFRVNVGAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 476 SER 2 477 MET 3 478 CYS 4 479 ASN 5 480 PRO 6 481 SER 7 482 ALA 8 483 CYS 9 484 ARG 10 485 ALA 11 486 VAL 12 487 GLY 13 488 ARG 14 489 GLY 15 490 LEU 16 491 GLN 17 492 PRO 18 493 LYS 19 494 GLY 20 495 VAL 21 496 ARG 22 497 VAL 23 498 LYS 24 499 GLU 25 500 THR 26 501 ALA 27 502 ASP 28 503 PHE 29 504 LYS 30 505 VAL 31 506 TYR 32 507 THR 33 508 LYS 34 509 GLY 35 510 ALA 36 511 GLY 37 512 SER 38 513 GLY 39 514 GLU 40 515 LEU 41 516 LYS 42 517 VAL 43 518 THR 44 519 VAL 45 520 LYS 46 521 GLY 47 522 PRO 48 523 LYS 49 524 GLY 50 525 GLU 51 526 GLU 52 527 ARG 53 528 VAL 54 529 LYS 55 530 GLN 56 531 LYS 57 532 ASP 58 533 LEU 59 534 GLY 60 535 ASP 61 536 GLY 62 537 VAL 63 538 TYR 64 539 GLY 65 540 PHE 66 541 GLU 67 542 TYR 68 543 TYR 69 544 PRO 70 545 MET 71 546 VAL 72 547 PRO 73 548 GLY 74 549 THR 75 550 TYR 76 551 ILE 77 552 VAL 78 553 THR 79 554 ILE 80 555 THR 81 556 TRP 82 557 GLY 83 558 GLY 84 559 GLN 85 560 ASN 86 561 ILE 87 562 GLY 88 563 ARG 89 564 SER 90 565 PRO 91 566 PHE 92 567 GLU 93 568 VAL 94 569 LYS 95 570 VAL 96 571 GLY 97 572 THR 98 573 GLU 99 574 CYS 100 575 GLY 101 576 ASN 102 577 GLN 103 578 LYS 104 579 VAL 105 580 ARG 106 581 ALA 107 582 TRP 108 583 GLY 109 584 PRO 110 585 GLY 111 586 LEU 112 587 GLU 113 588 GLY 114 589 GLY 115 590 VAL 116 591 VAL 117 592 GLY 118 593 LYS 119 594 SER 120 595 ALA 121 596 ASP 122 597 PHE 123 598 VAL 124 599 VAL 125 600 GLU 126 601 ALA 127 602 ILE 128 603 GLY 129 604 ASP 130 605 ASP 131 606 VAL 132 607 GLY 133 608 THR 134 609 LEU 135 610 GLY 136 611 PHE 137 612 SER 138 613 VAL 139 614 GLU 140 615 GLY 141 616 PRO 142 617 SER 143 618 GLN 144 619 ALA 145 620 LYS 146 621 ILE 147 622 GLU 148 623 CYS 149 624 ASP 150 625 ASP 151 626 LYS 152 627 GLY 153 628 ASP 154 629 GLY 155 630 SER 156 631 CYS 157 632 ASP 158 633 VAL 159 634 ARG 160 635 TYR 161 636 TRP 162 637 PRO 163 638 GLN 164 639 GLU 165 640 ALA 166 641 GLY 167 642 GLU 168 643 TYR 169 644 ALA 170 645 VAL 171 646 HIS 172 647 VAL 173 648 LEU 174 649 CYS 175 650 ASN 176 651 SER 177 652 GLU 178 653 ASP 179 654 ILE 180 655 ARG 181 656 LEU 182 657 SER 183 658 PRO 184 659 PHE 185 660 MET 186 661 ALA 187 662 ASP 188 663 ILE 189 664 ARG 190 665 ASP 191 666 ALA 192 667 PRO 193 668 GLN 194 669 ASP 195 670 PHE 196 671 HIS 197 672 PRO 198 673 ASP 199 674 ARG 200 675 VAL 201 676 LYS 202 677 ALA 203 678 ARG 204 679 GLY 205 680 PRO 206 681 GLY 207 682 LEU 208 683 GLU 209 684 LYS 210 685 THR 211 686 GLY 212 687 VAL 213 688 ALA 214 689 VAL 215 690 ASN 216 691 LYS 217 692 PRO 218 693 ALA 219 694 GLU 220 695 PHE 221 696 THR 222 697 VAL 223 698 ASP 224 699 ALA 225 700 LYS 226 701 HIS 227 702 GLY 228 703 GLY 229 704 LYS 230 705 ALA 231 706 PRO 232 707 LEU 233 708 ARG 234 709 VAL 235 710 GLN 236 711 VAL 237 712 GLN 238 713 ASP 239 714 ASN 240 715 GLU 241 716 GLY 242 717 CYS 243 718 PRO 244 719 VAL 245 720 GLU 246 721 ALA 247 722 LEU 248 723 VAL 249 724 LYS 250 725 ASP 251 726 ASN 252 727 GLY 253 728 ASN 254 729 GLY 255 730 THR 256 731 TYR 257 732 SER 258 733 CYS 259 734 SER 260 735 TYR 261 736 VAL 262 737 PRO 263 738 ARG 264 739 LYS 265 740 PRO 266 741 VAL 267 742 LYS 268 743 HIS 269 744 THR 270 745 ALA 271 746 MET 272 747 VAL 273 748 SER 274 749 TRP 275 750 GLY 276 751 GLY 277 752 VAL 278 753 SER 279 754 ILE 280 755 PRO 281 756 ASN 282 757 SER 283 758 PRO 284 759 PHE 285 760 ARG 286 761 VAL 287 762 ASN 288 763 VAL 289 764 GLY 290 765 ALA 291 766 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 4M9P "Crystal Structure Of The Human Filamin A Ig-like Domains 3-5" 100.00 291 100.00 100.00 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 $FLNa3-5 human 9606 Eukaryota Metazoa Homo sapiens 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 $FLNa3-5 'recombinant technology' . Escherichia coli . pGTVL1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FLNa3-5 0.9 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Agilent . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_HCCmHm-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCmHm-TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . 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 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 4.68 internal direct . . . 1.000000000 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' HCCmHm-TOCSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FLNa3-5 _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 1 478 3 CYS CA C 59.365 0.017 1 2 478 3 CYS CB C 28.298 0.021 1 3 479 4 ASN H H 9.047 0.003 1 4 479 4 ASN CA C 50.257 0.054 1 5 479 4 ASN CB C 39.231 0.026 1 6 479 4 ASN N N 125.025 0.015 1 7 480 5 PRO CA C 65.240 0.004 1 8 480 5 PRO CB C 32.076 0.000 1 9 481 6 SER H H 7.873 0.005 1 10 481 6 SER CA C 60.817 0.038 1 11 481 6 SER CB C 63.012 0.012 1 12 481 6 SER N N 111.776 0.012 1 13 482 7 ALA H H 7.449 0.005 1 14 482 7 ALA HB H 1.216 0.002 1 15 482 7 ALA CA C 52.742 0.045 1 16 482 7 ALA CB C 19.188 0.048 1 17 482 7 ALA N N 121.748 0.039 1 18 483 8 CYS H H 7.212 0.003 1 19 483 8 CYS CA C 59.556 0.106 1 20 483 8 CYS CB C 29.094 0.020 1 21 483 8 CYS N N 114.445 0.019 1 22 484 9 ARG H H 8.407 0.004 1 23 484 9 ARG CA C 55.173 0.015 1 24 484 9 ARG CB C 34.156 0.022 1 25 484 9 ARG N N 120.946 0.020 1 26 485 10 ALA H H 8.728 0.004 1 27 485 10 ALA HB H 1.228 0.001 1 28 485 10 ALA CA C 50.625 0.031 1 29 485 10 ALA CB C 22.681 0.039 1 30 485 10 ALA N N 127.597 0.029 1 31 486 11 VAL H H 8.928 0.004 1 32 486 11 VAL HG1 H 0.877 0.003 2 33 486 11 VAL HG2 H 0.949 0.003 2 34 486 11 VAL CA C 59.511 0.028 1 35 486 11 VAL CB C 35.591 0.031 1 36 486 11 VAL CG1 C 22.096 0.021 1 37 486 11 VAL CG2 C 19.718 0.004 1 38 486 11 VAL N N 116.089 0.018 1 39 487 12 GLY H H 9.638 0.002 1 40 487 12 GLY CA C 44.594 0.057 1 41 487 12 GLY N N 109.776 0.008 1 42 488 13 ARG H H 9.737 0.003 1 43 488 13 ARG CA C 60.186 0.049 1 44 488 13 ARG CB C 30.370 0.000 1 45 488 13 ARG N N 125.971 0.022 1 46 489 14 GLY H H 9.395 0.005 1 47 489 14 GLY CA C 46.006 0.045 1 48 489 14 GLY N N 100.803 0.025 1 49 490 15 LEU H H 6.685 0.004 1 50 490 15 LEU HD1 H -0.213 0.002 2 51 490 15 LEU HD2 H -0.868 0.003 2 52 490 15 LEU CA C 53.182 0.042 1 53 490 15 LEU CB C 41.443 0.018 1 54 490 15 LEU CD1 C 25.252 0.005 1 55 490 15 LEU CD2 C 20.333 0.015 1 56 490 15 LEU N N 114.145 0.025 1 57 491 16 GLN H H 7.616 0.001 1 58 491 16 GLN CA C 53.757 0.000 1 59 491 16 GLN CB C 28.082 0.000 1 60 491 16 GLN N N 121.292 0.037 1 61 492 17 PRO CA C 65.513 0.038 1 62 492 17 PRO CB C 32.779 0.087 1 63 493 18 LYS H H 7.219 0.002 1 64 493 18 LYS CA C 56.018 0.020 1 65 493 18 LYS CB C 36.791 0.061 1 66 493 18 LYS N N 113.823 0.014 1 67 494 19 GLY H H 8.486 0.003 1 68 494 19 GLY CA C 45.864 0.068 1 69 494 19 GLY N N 108.920 0.026 1 70 495 20 VAL H H 8.734 0.003 1 71 495 20 VAL HG1 H 0.773 0.002 2 72 495 20 VAL HG2 H 0.711 0.001 2 73 495 20 VAL CA C 64.560 0.023 1 74 495 20 VAL CB C 30.534 0.020 1 75 495 20 VAL CG1 C 23.811 0.008 1 76 495 20 VAL CG2 C 22.691 0.002 1 77 495 20 VAL N N 122.299 0.037 1 78 496 21 ARG H H 8.271 0.003 1 79 496 21 ARG CA C 54.700 0.039 1 80 496 21 ARG CB C 34.418 0.039 1 81 496 21 ARG N N 127.219 0.077 1 82 497 22 VAL H H 7.342 0.007 1 83 497 22 VAL HG1 H 0.760 0.000 2 84 497 22 VAL HG2 H 0.892 0.002 2 85 497 22 VAL CA C 62.514 0.034 1 86 497 22 VAL CB C 32.968 0.041 1 87 497 22 VAL CG1 C 22.811 0.045 1 88 497 22 VAL CG2 C 19.548 0.016 1 89 497 22 VAL N N 111.336 0.060 1 90 498 23 LYS H H 7.948 0.003 1 91 498 23 LYS CA C 59.791 0.018 1 92 498 23 LYS CB C 29.770 0.021 1 93 498 23 LYS N N 110.809 0.023 1 94 499 24 GLU H H 7.474 0.001 1 95 499 24 GLU CA C 55.338 0.033 1 96 499 24 GLU CB C 30.971 0.045 1 97 499 24 GLU N N 117.218 0.015 1 98 500 25 THR H H 8.552 0.004 1 99 500 25 THR HG2 H 1.017 0.002 1 100 500 25 THR CA C 63.636 0.033 1 101 500 25 THR CB C 68.823 0.044 1 102 500 25 THR CG2 C 22.387 0.010 1 103 500 25 THR N N 118.077 0.016 1 104 501 26 ALA H H 8.483 0.003 1 105 501 26 ALA HB H 0.134 0.003 1 106 501 26 ALA CA C 50.630 0.030 1 107 501 26 ALA CB C 17.633 0.054 1 108 501 26 ALA N N 133.973 0.027 1 109 502 27 ASP H H 8.129 0.003 1 110 502 27 ASP CA C 51.942 0.055 1 111 502 27 ASP CB C 44.361 0.066 1 112 502 27 ASP N N 119.204 0.020 1 113 503 28 PHE H H 8.636 0.002 1 114 503 28 PHE CA C 57.371 0.046 1 115 503 28 PHE CB C 40.069 0.081 1 116 503 28 PHE N N 113.883 0.029 1 117 504 29 LYS H H 9.419 0.004 1 118 504 29 LYS CA C 54.997 0.023 1 119 504 29 LYS CB C 37.778 0.053 1 120 504 29 LYS N N 118.689 0.020 1 121 505 30 VAL H H 9.346 0.003 1 122 505 30 VAL HG1 H 0.965 0.002 2 123 505 30 VAL HG2 H 1.175 0.004 2 124 505 30 VAL CA C 61.139 0.017 1 125 505 30 VAL CB C 35.316 0.054 1 126 505 30 VAL CG1 C 21.739 0.005 1 127 505 30 VAL CG2 C 22.618 0.006 1 128 505 30 VAL N N 118.958 0.024 1 129 506 31 TYR H H 9.417 0.003 1 130 506 31 TYR CA C 57.943 0.015 1 131 506 31 TYR CB C 39.352 0.003 1 132 506 31 TYR N N 127.089 0.010 1 133 507 32 THR H H 8.070 0.003 1 134 507 32 THR HG2 H 1.206 0.002 1 135 507 32 THR CA C 61.463 0.039 1 136 507 32 THR CB C 70.769 0.023 1 137 507 32 THR CG2 C 22.707 0.003 1 138 507 32 THR N N 111.212 0.020 1 139 508 33 LYS H H 8.412 0.004 1 140 508 33 LYS CA C 58.894 0.000 1 141 508 33 LYS CB C 32.165 0.000 1 142 508 33 LYS N N 125.552 0.022 1 143 509 34 GLY CA C 45.177 0.016 1 144 510 35 ALA H H 7.929 0.004 1 145 510 35 ALA HB H 0.380 0.003 1 146 510 35 ALA CA C 52.734 0.063 1 147 510 35 ALA CB C 18.645 0.029 1 148 510 35 ALA N N 122.199 0.015 1 149 511 36 GLY H H 8.448 0.004 1 150 511 36 GLY CA C 45.693 0.028 1 151 511 36 GLY N N 109.445 0.017 1 152 512 37 SER H H 8.510 0.002 1 153 512 37 SER CA C 58.208 0.027 1 154 512 37 SER CB C 64.140 0.011 1 155 512 37 SER N N 119.438 0.024 1 156 513 38 GLY H H 7.699 0.000 1 157 513 38 GLY CA C 43.622 0.041 1 158 513 38 GLY N N 109.688 0.016 1 159 514 39 GLU H H 6.722 0.003 1 160 514 39 GLU CA C 54.547 0.022 1 161 514 39 GLU CB C 32.138 0.050 1 162 514 39 GLU N N 114.375 0.010 1 163 515 40 LEU H H 8.679 0.004 1 164 515 40 LEU HD1 H 0.825 0.002 2 165 515 40 LEU HD2 H 1.069 0.002 2 166 515 40 LEU CA C 53.982 0.061 1 167 515 40 LEU CB C 43.501 0.049 1 168 515 40 LEU CD1 C 27.184 0.012 1 169 515 40 LEU CD2 C 24.514 0.016 1 170 515 40 LEU N N 129.223 0.024 1 171 516 41 LYS H H 8.921 0.001 1 172 516 41 LYS CA C 55.642 0.013 1 173 516 41 LYS CB C 35.335 0.025 1 174 516 41 LYS N N 127.775 0.055 1 175 517 42 VAL H H 8.446 0.001 1 176 517 42 VAL HG1 H 0.162 0.001 2 177 517 42 VAL HG2 H 0.486 0.002 2 178 517 42 VAL CA C 60.774 0.027 1 179 517 42 VAL CB C 34.960 0.031 1 180 517 42 VAL CG1 C 22.030 0.001 1 181 517 42 VAL CG2 C 21.625 0.015 1 182 517 42 VAL N N 126.193 0.010 1 183 518 43 THR H H 8.713 0.005 1 184 518 43 THR HG2 H 1.143 0.000 1 185 518 43 THR CA C 60.258 0.045 1 186 518 43 THR CB C 72.082 0.043 1 187 518 43 THR CG2 C 21.822 0.008 1 188 518 43 THR N N 119.145 0.046 1 189 519 44 VAL H H 9.222 0.004 1 190 519 44 VAL HG1 H 0.479 0.001 2 191 519 44 VAL HG2 H 0.189 0.003 2 192 519 44 VAL CA C 61.277 0.049 1 193 519 44 VAL CB C 34.216 0.066 1 194 519 44 VAL CG1 C 21.549 0.006 1 195 519 44 VAL CG2 C 20.756 0.006 1 196 519 44 VAL N N 123.859 0.030 1 197 520 45 LYS H H 8.686 0.006 1 198 520 45 LYS CA C 54.997 0.048 1 199 520 45 LYS CB C 35.325 0.033 1 200 520 45 LYS N N 127.332 0.026 1 201 521 46 GLY H H 8.006 0.004 1 202 521 46 GLY CA C 45.381 0.000 1 203 521 46 GLY N N 113.150 0.014 1 204 522 47 PRO CA C 64.463 0.020 1 205 522 47 PRO CB C 33.049 0.046 1 206 523 48 LYS H H 8.504 0.004 1 207 523 48 LYS CA C 54.555 0.033 1 208 523 48 LYS CB C 32.068 0.058 1 209 523 48 LYS CG C 24.731 0.000 1 210 523 48 LYS CD C 29.096 0.000 1 211 523 48 LYS N N 115.140 0.031 1 212 524 49 GLY H H 7.836 0.005 1 213 524 49 GLY CA C 44.101 0.000 1 214 524 49 GLY N N 107.935 0.021 1 215 525 50 GLU CA C 58.111 0.001 1 216 525 50 GLU CB C 29.904 0.025 1 217 526 51 GLU H H 8.703 0.004 1 218 526 51 GLU CA C 54.635 0.026 1 219 526 51 GLU CB C 31.870 0.022 1 220 526 51 GLU N N 125.039 0.016 1 221 527 52 ARG H H 8.600 0.004 1 222 527 52 ARG CA C 56.832 0.027 1 223 527 52 ARG CB C 30.439 0.053 1 224 527 52 ARG N N 122.112 0.026 1 225 528 53 VAL H H 8.461 0.003 1 226 528 53 VAL HG1 H 1.051 0.003 2 227 528 53 VAL HG2 H 0.974 0.002 2 228 528 53 VAL CA C 60.210 0.029 1 229 528 53 VAL CB C 35.148 0.030 1 230 528 53 VAL CG1 C 22.519 0.003 1 231 528 53 VAL CG2 C 22.417 0.003 1 232 528 53 VAL N N 124.110 0.034 1 233 529 54 LYS H H 9.164 0.002 1 234 529 54 LYS CA C 55.648 0.040 1 235 529 54 LYS CB C 34.780 0.079 1 236 529 54 LYS N N 129.393 0.016 1 237 530 55 GLN H H 8.622 0.003 1 238 530 55 GLN CA C 54.116 0.023 1 239 530 55 GLN CB C 32.054 0.012 1 240 530 55 GLN N N 126.599 0.033 1 241 531 56 LYS H H 9.066 0.001 1 242 531 56 LYS CA C 54.890 0.029 1 243 531 56 LYS CB C 36.149 0.026 1 244 531 56 LYS N N 125.634 0.022 1 245 532 57 ASP H H 8.678 0.006 1 246 532 57 ASP CA C 53.942 0.071 1 247 532 57 ASP CB C 40.464 0.031 1 248 532 57 ASP N N 125.038 0.011 1 249 533 58 LEU H H 8.107 0.004 1 250 533 58 LEU HD1 H 0.687 0.002 2 251 533 58 LEU HD2 H 0.714 0.001 2 252 533 58 LEU CA C 54.935 0.031 1 253 533 58 LEU CB C 41.517 0.042 1 254 533 58 LEU CG C 27.164 0.000 1 255 533 58 LEU CD1 C 25.364 0.013 1 256 533 58 LEU CD2 C 22.795 0.006 1 257 533 58 LEU N N 126.783 0.015 1 258 534 59 GLY H H 8.138 0.002 1 259 534 59 GLY CA C 44.117 0.032 1 260 534 59 GLY N N 109.758 0.012 1 261 535 60 ASP H H 8.761 0.004 1 262 535 60 ASP CA C 55.297 0.011 1 263 535 60 ASP CB C 40.644 0.018 1 264 535 60 ASP N N 119.012 0.039 1 265 536 61 GLY H H 8.433 0.009 1 266 536 61 GLY CA C 45.849 0.054 1 267 536 61 GLY N N 104.437 0.041 1 268 537 62 VAL H H 7.557 0.002 1 269 537 62 VAL HG1 H 0.845 0.002 2 270 537 62 VAL HG2 H 0.337 0.003 2 271 537 62 VAL CA C 61.558 0.035 1 272 537 62 VAL CB C 31.718 0.036 1 273 537 62 VAL CG1 C 22.864 0.011 1 274 537 62 VAL CG2 C 21.430 0.010 1 275 537 62 VAL N N 123.580 0.016 1 276 538 63 TYR H H 8.832 0.004 1 277 538 63 TYR CA C 56.664 0.032 1 278 538 63 TYR CB C 42.998 0.034 1 279 538 63 TYR N N 125.364 0.058 1 280 539 64 GLY H H 9.183 0.006 1 281 539 64 GLY CA C 44.055 0.025 1 282 539 64 GLY N N 109.532 0.022 1 283 540 65 PHE H H 8.801 0.009 1 284 540 65 PHE CA C 56.332 0.013 1 285 540 65 PHE CB C 43.512 0.040 1 286 540 65 PHE N N 119.151 0.030 1 287 541 66 GLU H H 8.217 0.005 1 288 541 66 GLU CA C 54.897 0.039 1 289 541 66 GLU CB C 34.019 0.021 1 290 541 66 GLU N N 116.342 0.034 1 291 542 67 TYR H H 8.303 0.004 1 292 542 67 TYR CA C 56.103 0.012 1 293 542 67 TYR CB C 40.828 0.030 1 294 542 67 TYR N N 117.185 0.075 1 295 543 68 TYR H H 9.223 0.008 1 296 543 68 TYR CA C 55.196 0.000 1 297 543 68 TYR CB C 38.080 0.000 1 298 543 68 TYR N N 119.001 0.023 1 299 545 70 MET CA C 54.367 0.028 1 300 545 70 MET CB C 34.319 0.000 1 301 546 71 VAL H H 7.088 0.003 1 302 546 71 VAL HG1 H 1.079 0.002 2 303 546 71 VAL HG2 H 0.976 0.003 2 304 546 71 VAL CA C 58.101 0.010 1 305 546 71 VAL CB C 34.816 0.021 1 306 546 71 VAL CG1 C 21.247 0.003 1 307 546 71 VAL CG2 C 19.945 0.017 1 308 546 71 VAL N N 115.200 0.018 1 309 547 72 PRO CA C 63.503 0.000 1 310 547 72 PRO CB C 32.148 0.000 1 311 548 73 GLY H H 8.471 0.004 1 312 548 73 GLY CA C 45.659 0.000 1 313 548 73 GLY N N 109.245 0.040 1 314 549 74 THR HG2 H 1.083 0.002 1 315 549 74 THR CA C 63.955 0.039 1 316 549 74 THR CB C 69.332 0.017 1 317 549 74 THR CG2 C 22.775 0.017 1 318 550 75 TYR H H 9.892 0.005 1 319 550 75 TYR CA C 56.270 0.000 1 320 550 75 TYR CB C 39.296 0.032 1 321 550 75 TYR N N 129.849 0.058 1 322 551 76 ILE H H 9.027 0.004 1 323 551 76 ILE HG2 H 0.701 0.002 1 324 551 76 ILE HD1 H 0.727 0.002 1 325 551 76 ILE CA C 58.668 0.036 1 326 551 76 ILE CB C 38.813 0.039 1 327 551 76 ILE CG1 C 27.076 0.006 1 328 551 76 ILE CG2 C 18.027 0.009 1 329 551 76 ILE CD1 C 11.856 0.008 1 330 551 76 ILE N N 121.545 0.028 1 331 552 77 VAL H H 9.488 0.003 1 332 552 77 VAL HG1 H 0.317 0.004 2 333 552 77 VAL HG2 H 0.599 0.001 2 334 552 77 VAL CA C 61.267 0.035 1 335 552 77 VAL CB C 32.812 0.042 1 336 552 77 VAL CG1 C 20.750 0.020 1 337 552 77 VAL CG2 C 19.437 0.008 1 338 552 77 VAL N N 132.275 0.024 1 339 553 78 THR H H 9.195 0.004 1 340 553 78 THR HG2 H 1.090 0.002 1 341 553 78 THR CA C 62.599 0.035 1 342 553 78 THR CB C 68.918 0.011 1 343 553 78 THR CG2 C 21.652 0.002 1 344 553 78 THR N N 125.617 0.016 1 345 554 79 ILE H H 9.039 0.003 1 346 554 79 ILE HG2 H 0.827 0.003 1 347 554 79 ILE HD1 H 0.497 0.002 1 348 554 79 ILE CA C 60.626 0.039 1 349 554 79 ILE CB C 40.797 0.045 1 350 554 79 ILE CG1 C 26.541 0.000 1 351 554 79 ILE CG2 C 18.706 0.035 1 352 554 79 ILE CD1 C 15.266 0.009 1 353 554 79 ILE N N 127.320 0.020 1 354 555 80 THR H H 9.121 0.006 1 355 555 80 THR HG2 H 0.775 0.001 1 356 555 80 THR CA C 58.218 0.051 1 357 555 80 THR CB C 72.571 0.035 1 358 555 80 THR CG2 C 20.569 0.006 1 359 555 80 THR N N 115.393 0.045 1 360 556 81 TRP H H 9.067 0.003 1 361 556 81 TRP CA C 55.506 0.056 1 362 556 81 TRP CB C 32.998 0.001 1 363 556 81 TRP N N 121.544 0.061 1 364 557 82 GLY H H 8.208 0.002 1 365 557 82 GLY CA C 46.792 0.041 1 366 557 82 GLY N N 115.003 0.021 1 367 558 83 GLY H H 8.632 0.007 1 368 558 83 GLY CA C 44.690 0.029 1 369 558 83 GLY N N 103.510 0.024 1 370 559 84 GLN H H 7.477 0.002 1 371 559 84 GLN CA C 53.868 0.000 1 372 559 84 GLN CB C 31.105 0.012 1 373 559 84 GLN N N 119.214 0.030 1 374 560 85 ASN H H 8.883 0.004 1 375 560 85 ASN CA C 55.545 0.015 1 376 560 85 ASN CB C 40.523 0.064 1 377 560 85 ASN N N 122.747 0.022 1 378 561 86 ILE H H 7.982 0.003 1 379 561 86 ILE HG2 H 1.024 0.002 1 380 561 86 ILE HD1 H 0.869 0.002 1 381 561 86 ILE CA C 59.853 0.041 1 382 561 86 ILE CB C 39.525 0.042 1 383 561 86 ILE CG1 C 25.857 0.011 1 384 561 86 ILE CG2 C 19.474 0.013 1 385 561 86 ILE CD1 C 15.984 0.014 1 386 561 86 ILE N N 116.689 0.021 1 387 562 87 GLY H H 8.833 0.002 1 388 562 87 GLY CA C 47.742 0.000 1 389 562 87 GLY N N 110.053 0.017 1 390 563 88 ARG CA C 56.840 0.000 1 391 563 88 ARG CB C 28.670 0.000 1 392 564 89 SER H H 7.381 0.003 1 393 564 89 SER CA C 54.965 0.000 1 394 564 89 SER CB C 64.131 0.000 1 395 564 89 SER N N 112.105 0.025 1 396 565 90 PRO CA C 62.460 0.042 1 397 565 90 PRO CB C 34.262 0.000 1 398 566 91 PHE H H 9.448 0.003 1 399 566 91 PHE CA C 57.382 0.033 1 400 566 91 PHE CB C 39.891 0.005 1 401 566 91 PHE N N 123.041 0.029 1 402 567 92 GLU H H 8.646 0.003 1 403 567 92 GLU CA C 56.197 0.071 1 404 567 92 GLU CB C 30.507 0.077 1 405 567 92 GLU N N 124.244 0.035 1 406 568 93 VAL H H 9.567 0.002 1 407 568 93 VAL HG1 H 0.630 0.003 2 408 568 93 VAL HG2 H 0.810 0.001 2 409 568 93 VAL CA C 62.511 0.044 1 410 568 93 VAL CB C 34.902 0.036 1 411 568 93 VAL CG1 C 19.320 0.006 1 412 568 93 VAL CG2 C 18.627 0.005 1 413 568 93 VAL N N 133.193 0.040 1 414 569 94 LYS H H 8.199 0.002 1 415 569 94 LYS CA C 56.035 0.016 1 416 569 94 LYS CB C 31.937 0.032 1 417 569 94 LYS N N 127.092 0.020 1 418 570 95 VAL H H 9.409 0.005 1 419 570 95 VAL HG1 H 0.720 0.003 2 420 570 95 VAL HG2 H 0.480 0.003 2 421 570 95 VAL CA C 61.654 0.014 1 422 570 95 VAL CB C 32.546 0.010 1 423 570 95 VAL CG1 C 21.910 0.006 1 424 570 95 VAL CG2 C 22.743 0.010 1 425 570 95 VAL N N 129.952 0.012 1 426 571 96 GLY H H 9.052 0.003 1 427 571 96 GLY CA C 43.849 0.033 1 428 571 96 GLY N N 116.387 0.015 1 429 572 97 THR H H 7.994 0.003 1 430 572 97 THR HG2 H 1.348 0.001 1 431 572 97 THR CA C 61.878 0.040 1 432 572 97 THR CB C 70.164 0.027 1 433 572 97 THR CG2 C 22.293 0.021 1 434 572 97 THR N N 107.362 0.026 1 435 573 98 GLU H H 8.676 0.003 1 436 573 98 GLU CA C 57.820 0.027 1 437 573 98 GLU CB C 30.522 0.026 1 438 573 98 GLU N N 119.317 0.018 1 439 574 99 CYS H H 8.726 0.002 1 440 574 99 CYS CA C 60.038 0.000 1 441 574 99 CYS CB C 28.323 0.000 1 442 574 99 CYS N N 121.566 0.014 1 443 575 100 GLY CA C 45.341 0.025 1 444 576 101 ASN H H 8.188 0.004 1 445 576 101 ASN CA C 54.527 0.000 1 446 576 101 ASN CB C 41.514 0.000 1 447 576 101 ASN N N 120.444 0.019 1 448 578 103 LYS CA C 56.772 0.081 1 449 578 103 LYS CB C 34.782 0.066 1 450 579 104 VAL H H 7.470 0.003 1 451 579 104 VAL HG1 H 0.934 0.002 2 452 579 104 VAL HG2 H 0.864 0.002 2 453 579 104 VAL CA C 59.804 0.057 1 454 579 104 VAL CB C 36.049 0.049 1 455 579 104 VAL CG1 C 22.602 0.009 1 456 579 104 VAL CG2 C 20.716 0.005 1 457 579 104 VAL N N 113.677 0.034 1 458 580 105 ARG H H 9.041 0.007 1 459 580 105 ARG CA C 54.390 0.053 1 460 580 105 ARG CB C 33.989 0.033 1 461 580 105 ARG N N 120.977 0.028 1 462 581 106 ALA H H 8.800 0.002 1 463 581 106 ALA HB H 1.292 0.001 1 464 581 106 ALA CA C 50.856 0.059 1 465 581 106 ALA CB C 23.625 0.071 1 466 581 106 ALA N N 123.734 0.038 1 467 582 107 TRP H H 8.933 0.005 1 468 582 107 TRP CA C 56.761 0.020 1 469 582 107 TRP CB C 29.806 0.000 1 470 582 107 TRP N N 118.942 0.040 1 471 583 108 GLY H H 8.710 0.004 1 472 583 108 GLY CA C 44.674 0.000 1 473 583 108 GLY N N 106.980 0.036 1 474 584 109 PRO CA C 66.094 0.000 1 475 585 110 GLY H H 9.482 0.005 1 476 585 110 GLY CA C 46.586 0.047 1 477 585 110 GLY N N 106.298 0.015 1 478 586 111 LEU H H 7.332 0.003 1 479 586 111 LEU HD1 H -0.362 0.001 2 480 586 111 LEU HD2 H -0.809 0.002 2 481 586 111 LEU CA C 54.680 0.050 1 482 586 111 LEU CB C 39.860 0.029 1 483 586 111 LEU CG C 26.134 0.003 1 484 586 111 LEU CD1 C 23.272 0.018 1 485 586 111 LEU CD2 C 18.830 0.006 1 486 586 111 LEU N N 115.772 0.011 1 487 587 112 GLU H H 7.630 0.001 1 488 587 112 GLU CA C 56.078 0.041 1 489 587 112 GLU CB C 32.774 0.037 1 490 587 112 GLU N N 112.685 0.025 1 491 588 113 GLY H H 8.333 0.003 1 492 588 113 GLY CA C 47.327 0.038 1 493 588 113 GLY N N 109.578 0.031 1 494 589 114 GLY H H 7.367 0.007 1 495 589 114 GLY CA C 44.570 0.018 1 496 589 114 GLY N N 104.281 0.007 1 497 590 115 VAL H H 9.113 0.003 1 498 590 115 VAL HG1 H 0.975 0.002 2 499 590 115 VAL HG2 H 0.816 0.001 2 500 590 115 VAL CA C 59.442 0.041 1 501 590 115 VAL CB C 36.733 0.037 1 502 590 115 VAL CG1 C 21.874 0.002 1 503 590 115 VAL CG2 C 21.726 0.013 1 504 590 115 VAL N N 117.758 0.031 1 505 591 116 VAL H H 7.988 0.003 1 506 591 116 VAL HG1 H 0.763 0.000 2 507 591 116 VAL HG2 H 0.834 0.000 2 508 591 116 VAL CA C 65.066 0.063 1 509 591 116 VAL CB C 32.381 0.047 1 510 591 116 VAL CG1 C 22.949 0.005 1 511 591 116 VAL CG2 C 21.813 0.001 1 512 591 116 VAL N N 123.485 0.033 1 513 592 117 GLY H H 7.951 0.003 1 514 592 117 GLY CA C 45.717 0.047 1 515 592 117 GLY N N 113.138 0.025 1 516 593 118 LYS H H 7.989 0.002 1 517 593 118 LYS CA C 52.688 0.029 1 518 593 118 LYS CB C 33.959 0.037 1 519 593 118 LYS N N 118.920 0.028 1 520 594 119 SER H H 8.285 0.003 1 521 594 119 SER CA C 58.866 0.034 1 522 594 119 SER CB C 62.182 0.061 1 523 594 119 SER N N 118.423 0.020 1 524 595 120 ALA H H 8.216 0.003 1 525 595 120 ALA HB H 0.249 0.001 1 526 595 120 ALA CA C 50.498 0.038 1 527 595 120 ALA CB C 18.238 0.007 1 528 595 120 ALA N N 129.073 0.023 1 529 596 121 ASP H H 7.520 0.005 1 530 596 121 ASP CA C 53.792 0.036 1 531 596 121 ASP CB C 43.276 0.043 1 532 596 121 ASP N N 120.888 0.027 1 533 597 122 PHE H H 9.413 0.004 1 534 597 122 PHE CA C 56.857 0.038 1 535 597 122 PHE CB C 39.614 0.012 1 536 597 122 PHE N N 116.941 0.023 1 537 598 123 VAL H H 8.885 0.005 1 538 598 123 VAL HG1 H 0.640 0.002 2 539 598 123 VAL HG2 H 0.278 0.000 2 540 598 123 VAL CA C 60.223 0.002 1 541 598 123 VAL CB C 34.946 0.013 1 542 598 123 VAL CG1 C 22.040 0.002 1 543 598 123 VAL CG2 C 21.541 0.001 1 544 598 123 VAL N N 120.149 0.057 1 545 599 124 VAL H H 8.224 0.001 1 546 599 124 VAL HG1 H 1.199 0.002 2 547 599 124 VAL HG2 H 1.080 0.000 2 548 599 124 VAL CA C 60.589 0.059 1 549 599 124 VAL CB C 34.571 0.048 1 550 599 124 VAL CG1 C 23.044 0.010 1 551 599 124 VAL CG2 C 22.249 0.009 1 552 599 124 VAL N N 121.876 0.009 1 553 600 125 GLU H H 9.094 0.003 1 554 600 125 GLU CA C 54.375 0.034 1 555 600 125 GLU CB C 33.905 0.029 1 556 600 125 GLU N N 124.235 0.032 1 557 601 126 ALA H H 8.591 0.004 1 558 601 126 ALA HB H 1.457 0.002 1 559 601 126 ALA CA C 52.290 0.019 1 560 601 126 ALA CB C 19.806 0.034 1 561 601 126 ALA N N 124.729 0.056 1 562 602 127 ILE H H 8.338 0.003 1 563 602 127 ILE HG2 H 0.875 0.002 1 564 602 127 ILE HD1 H 0.702 0.002 1 565 602 127 ILE CA C 62.237 0.029 1 566 602 127 ILE CB C 38.708 0.029 1 567 602 127 ILE CG1 C 27.960 0.002 1 568 602 127 ILE CG2 C 17.639 0.010 1 569 602 127 ILE CD1 C 13.852 0.008 1 570 602 127 ILE N N 122.320 0.028 1 571 603 128 GLY H H 8.154 0.001 1 572 603 128 GLY CA C 44.854 0.038 1 573 603 128 GLY N N 111.162 0.011 1 574 604 129 ASP H H 8.259 0.001 1 575 604 129 ASP CA C 54.807 0.031 1 576 604 129 ASP CB C 41.820 0.044 1 577 604 129 ASP N N 119.790 0.020 1 578 605 130 ASP H H 8.235 0.003 1 579 605 130 ASP CA C 53.773 0.016 1 580 605 130 ASP CB C 41.613 0.055 1 581 605 130 ASP N N 118.719 0.003 1 582 606 131 VAL H H 8.042 0.001 1 583 606 131 VAL HG1 H 0.885 0.002 2 584 606 131 VAL HG2 H 0.916 0.001 2 585 606 131 VAL CA C 63.292 0.040 1 586 606 131 VAL CB C 32.665 0.022 1 587 606 131 VAL CG1 C 21.681 0.012 1 588 606 131 VAL CG2 C 20.771 0.010 1 589 606 131 VAL N N 119.472 0.034 1 590 607 132 GLY H H 7.857 0.003 1 591 607 132 GLY CA C 45.089 0.030 1 592 607 132 GLY N N 107.176 0.012 1 593 608 133 THR H H 8.033 0.002 1 594 608 133 THR HG2 H 1.200 0.001 1 595 608 133 THR CA C 62.161 0.052 1 596 608 133 THR CB C 69.835 0.054 1 597 608 133 THR CG2 C 21.900 0.021 1 598 608 133 THR N N 115.931 0.034 1 599 609 134 LEU H H 8.588 0.004 1 600 609 134 LEU HD1 H 0.839 0.006 2 601 609 134 LEU HD2 H 0.903 0.002 2 602 609 134 LEU CA C 54.004 0.021 1 603 609 134 LEU CB C 43.927 0.020 1 604 609 134 LEU CG C 27.125 0.000 1 605 609 134 LEU CD1 C 24.450 0.016 1 606 609 134 LEU CD2 C 25.619 0.006 1 607 609 134 LEU N N 129.667 0.018 1 608 610 135 GLY H H 8.331 0.002 1 609 610 135 GLY CA C 44.073 0.037 1 610 610 135 GLY N N 110.589 0.010 1 611 611 136 PHE H H 8.111 0.001 1 612 611 136 PHE CA C 55.977 0.041 1 613 611 136 PHE CB C 44.636 0.027 1 614 611 136 PHE N N 114.519 0.035 1 615 612 137 SER H H 8.530 0.003 1 616 612 137 SER CA C 58.228 0.026 1 617 612 137 SER CB C 65.102 0.011 1 618 612 137 SER N N 115.665 0.034 1 619 613 138 VAL H H 8.862 0.003 1 620 613 138 VAL HG1 H 0.699 0.001 2 621 613 138 VAL HG2 H 0.611 0.002 2 622 613 138 VAL CA C 61.374 0.021 1 623 613 138 VAL CB C 33.878 0.021 1 624 613 138 VAL CG1 C 22.523 0.012 1 625 613 138 VAL CG2 C 21.351 0.001 1 626 613 138 VAL N N 125.290 0.022 1 627 614 139 GLU H H 9.208 0.002 1 628 614 139 GLU CA C 54.802 0.043 1 629 614 139 GLU CB C 32.184 0.027 1 630 614 139 GLU N N 128.505 0.018 1 631 615 140 GLY H H 8.578 0.002 1 632 615 140 GLY CA C 45.349 0.000 1 633 615 140 GLY N N 113.433 0.015 1 634 616 141 PRO CA C 64.425 0.020 1 635 616 141 PRO CB C 32.168 0.026 1 636 617 142 SER H H 6.993 0.001 1 637 617 142 SER CA C 56.791 0.000 1 638 617 142 SER CB C 66.034 0.000 1 639 617 142 SER N N 107.628 0.029 1 640 618 143 GLN CA C 56.712 0.056 1 641 618 143 GLN CB C 29.016 0.050 1 642 619 144 ALA H H 8.797 0.002 1 643 619 144 ALA HB H 1.375 0.003 1 644 619 144 ALA CA C 51.003 0.033 1 645 619 144 ALA CB C 21.300 0.027 1 646 619 144 ALA N N 129.023 0.027 1 647 620 145 LYS H H 8.837 0.004 1 648 620 145 LYS CA C 57.249 0.051 1 649 620 145 LYS CB C 33.521 0.048 1 650 620 145 LYS N N 125.116 0.047 1 651 621 146 ILE H H 8.400 0.003 1 652 621 146 ILE HG2 H 0.783 0.001 1 653 621 146 ILE HD1 H 0.894 0.002 1 654 621 146 ILE CA C 60.009 0.045 1 655 621 146 ILE CB C 41.731 0.014 1 656 621 146 ILE CG1 C 28.242 0.004 1 657 621 146 ILE CG2 C 16.868 0.015 1 658 621 146 ILE CD1 C 15.105 0.015 1 659 621 146 ILE N N 123.624 0.010 1 660 622 147 GLU H H 9.331 0.002 1 661 622 147 GLU CA C 54.750 0.056 1 662 622 147 GLU CB C 34.241 0.002 1 663 622 147 GLU N N 126.179 0.019 1 664 623 148 CYS H H 8.486 0.001 1 665 623 148 CYS CA C 56.906 0.067 1 666 623 148 CYS CB C 29.101 0.017 1 667 623 148 CYS N N 120.326 0.037 1 668 624 149 ASP H H 9.333 0.002 1 669 624 149 ASP CA C 52.803 0.024 1 670 624 149 ASP CB C 43.177 0.019 1 671 624 149 ASP N N 129.072 0.015 1 672 625 150 ASP H H 8.672 0.002 1 673 625 150 ASP CA C 54.878 0.001 1 674 625 150 ASP CB C 41.374 0.035 1 675 625 150 ASP N N 125.753 0.028 1 676 626 151 LYS H H 8.562 0.004 1 677 626 151 LYS CA C 54.624 0.084 1 678 626 151 LYS CB C 30.125 0.041 1 679 626 151 LYS N N 125.605 0.025 1 680 627 152 GLY H H 9.217 0.098 1 681 627 152 GLY CA C 46.195 0.034 1 682 627 152 GLY N N 108.822 0.016 1 683 628 153 ASP H H 8.057 0.002 1 684 628 153 ASP CA C 52.692 0.017 1 685 628 153 ASP CB C 41.456 0.039 1 686 628 153 ASP N N 118.716 0.018 1 687 629 154 GLY H H 8.919 0.006 1 688 629 154 GLY CA C 45.573 0.036 1 689 629 154 GLY N N 110.176 0.035 1 690 630 155 SER H H 8.231 0.004 1 691 630 155 SER CA C 56.597 0.001 1 692 630 155 SER CB C 67.992 0.056 1 693 630 155 SER N N 116.340 0.016 1 694 631 156 CYS H H 8.995 0.003 1 695 631 156 CYS CA C 56.253 0.058 1 696 631 156 CYS CB C 31.861 0.027 1 697 631 156 CYS N N 116.021 0.019 1 698 632 157 ASP H H 8.395 0.002 1 699 632 157 ASP CA C 54.056 0.018 1 700 632 157 ASP CB C 42.182 0.008 1 701 632 157 ASP N N 123.227 0.048 1 702 633 158 VAL H H 8.398 0.002 1 703 633 158 VAL HG1 H 0.096 0.001 2 704 633 158 VAL HG2 H -0.187 0.001 2 705 633 158 VAL CA C 59.881 0.021 1 706 633 158 VAL CB C 32.441 0.033 1 707 633 158 VAL CG1 C 22.102 0.016 1 708 633 158 VAL CG2 C 21.940 0.001 1 709 633 158 VAL N N 124.588 0.034 1 710 634 159 ARG H H 8.412 0.002 1 711 634 159 ARG CA C 53.675 0.064 1 712 634 159 ARG CB C 33.511 0.036 1 713 634 159 ARG N N 120.955 0.024 1 714 635 160 TYR H H 8.147 0.000 1 715 635 160 TYR CA C 54.650 0.023 1 716 635 160 TYR CB C 42.191 0.042 1 717 635 160 TYR N N 115.773 0.018 1 718 636 161 TRP H H 7.779 0.004 1 719 636 161 TRP CA C 54.763 0.000 1 720 636 161 TRP CB C 29.869 0.000 1 721 636 161 TRP N N 118.630 0.024 1 722 637 162 PRO CA C 62.888 0.013 1 723 637 162 PRO CB C 33.219 0.000 1 724 638 163 GLN H H 9.390 0.006 1 725 638 163 GLN CA C 55.637 0.009 1 726 638 163 GLN CB C 30.767 0.056 1 727 638 163 GLN N N 121.028 0.008 1 728 639 164 GLU H H 7.021 0.002 1 729 639 164 GLU CA C 54.893 0.015 1 730 639 164 GLU CB C 34.027 0.041 1 731 639 164 GLU N N 115.785 0.055 1 732 640 165 ALA H H 9.385 0.003 1 733 640 165 ALA HB H 1.390 0.003 1 734 640 165 ALA CA C 53.233 0.042 1 735 640 165 ALA CB C 19.109 0.035 1 736 640 165 ALA N N 130.804 0.026 1 737 641 166 GLY H H 8.819 0.003 1 738 641 166 GLY CA C 44.483 0.008 1 739 641 166 GLY N N 107.295 0.041 1 740 642 167 GLU H H 8.108 0.002 1 741 642 167 GLU CA C 55.963 0.052 1 742 642 167 GLU CB C 30.817 0.007 1 743 642 167 GLU N N 120.211 0.015 1 744 643 168 TYR H H 9.431 0.005 1 745 643 168 TYR CA C 56.470 0.018 1 746 643 168 TYR CB C 40.000 0.052 1 747 643 168 TYR N N 127.090 0.052 1 748 644 169 ALA H H 8.998 0.004 1 749 644 169 ALA HB H 1.198 0.003 1 750 644 169 ALA CA C 50.511 0.026 1 751 644 169 ALA CB C 20.058 0.027 1 752 644 169 ALA N N 125.379 0.021 1 753 645 170 VAL H H 9.619 0.004 1 754 645 170 VAL HG1 H 0.520 0.002 2 755 645 170 VAL HG2 H 0.695 0.001 2 756 645 170 VAL CA C 62.275 0.027 1 757 645 170 VAL CB C 32.029 0.037 1 758 645 170 VAL CG1 C 21.048 0.006 1 759 645 170 VAL CG2 C 20.350 0.020 1 760 645 170 VAL N N 126.926 0.039 1 761 646 171 HIS H H 9.509 0.005 1 762 646 171 HIS CA C 54.976 0.064 1 763 646 171 HIS CB C 28.877 0.030 1 764 646 171 HIS N N 124.312 0.020 1 765 647 172 VAL H H 8.682 0.005 1 766 647 172 VAL HG1 H 1.039 0.001 2 767 647 172 VAL HG2 H 1.144 0.002 2 768 647 172 VAL CA C 62.298 0.035 1 769 647 172 VAL CB C 33.380 0.039 1 770 647 172 VAL CG1 C 21.559 0.008 1 771 647 172 VAL CG2 C 21.014 0.008 1 772 647 172 VAL N N 123.695 0.015 1 773 648 173 LEU H H 8.762 0.002 1 774 648 173 LEU HD1 H 0.537 0.003 2 775 648 173 LEU HD2 H 0.476 0.002 2 776 648 173 LEU CA C 53.007 0.017 1 777 648 173 LEU CB C 44.539 0.033 1 778 648 173 LEU CG C 27.513 0.000 1 779 648 173 LEU CD1 C 25.297 0.017 1 780 648 173 LEU CD2 C 24.267 0.003 1 781 648 173 LEU N N 125.888 0.036 1 782 649 174 CYS H H 8.656 0.005 1 783 649 174 CYS CA C 57.422 0.013 1 784 649 174 CYS CB C 28.187 0.006 1 785 649 174 CYS N N 119.311 0.007 1 786 650 175 ASN H H 9.647 0.004 1 787 650 175 ASN CA C 54.938 0.042 1 788 650 175 ASN CB C 36.733 0.036 1 789 650 175 ASN N N 129.419 0.015 1 790 651 176 SER H H 9.054 0.003 1 791 651 176 SER CA C 60.705 0.052 1 792 651 176 SER CB C 62.195 0.014 1 793 651 176 SER N N 105.729 0.019 1 794 652 177 GLU H H 7.474 0.003 1 795 652 177 GLU CA C 54.519 0.012 1 796 652 177 GLU CB C 33.013 0.034 1 797 652 177 GLU N N 119.731 0.041 1 798 653 178 ASP H H 8.708 0.004 1 799 653 178 ASP CA C 56.382 0.053 1 800 653 178 ASP CB C 43.389 0.000 1 801 653 178 ASP N N 124.718 0.024 1 802 654 179 ILE H H 8.389 0.003 1 803 654 179 ILE HG2 H 0.993 0.003 1 804 654 179 ILE HD1 H 1.069 0.001 1 805 654 179 ILE CA C 61.406 0.022 1 806 654 179 ILE CB C 39.600 0.026 1 807 654 179 ILE CG1 C 25.113 0.000 1 808 654 179 ILE CG2 C 18.166 0.018 1 809 654 179 ILE CD1 C 14.929 0.015 1 810 654 179 ILE N N 116.975 0.026 1 811 655 180 ARG H H 8.082 0.002 1 812 655 180 ARG CA C 58.737 0.000 1 813 655 180 ARG CB C 30.039 0.000 1 814 655 180 ARG N N 122.430 0.021 1 815 656 181 LEU HD1 H 1.053 0.002 2 816 656 181 LEU HD2 H 0.832 0.002 2 817 656 181 LEU CA C 58.157 0.013 1 818 656 181 LEU CB C 39.824 0.015 1 819 656 181 LEU CG C 27.674 0.000 1 820 656 181 LEU CD1 C 25.698 0.012 1 821 656 181 LEU CD2 C 22.112 0.011 1 822 657 182 SER H H 7.548 0.002 1 823 657 182 SER CA C 55.058 0.000 1 824 657 182 SER CB C 63.987 0.000 1 825 657 182 SER N N 112.993 0.078 1 826 658 183 PRO CA C 61.212 0.017 1 827 658 183 PRO CB C 32.855 0.000 1 828 659 184 PHE H H 8.637 0.005 1 829 659 184 PHE CA C 56.471 0.074 1 830 659 184 PHE CB C 40.939 0.065 1 831 659 184 PHE N N 120.423 0.018 1 832 660 185 MET H H 8.694 0.003 1 833 660 185 MET CA C 51.909 0.034 1 834 660 185 MET CB C 27.741 0.018 1 835 660 185 MET N N 120.938 0.037 1 836 661 186 ALA H H 9.330 0.004 1 837 661 186 ALA HB H 1.135 0.001 1 838 661 186 ALA CA C 50.870 0.033 1 839 661 186 ALA CB C 21.445 0.019 1 840 661 186 ALA N N 130.799 0.028 1 841 662 187 ASP H H 7.558 0.004 1 842 662 187 ASP CA C 53.408 0.009 1 843 662 187 ASP CB C 41.625 0.040 1 844 662 187 ASP N N 123.597 0.027 1 845 663 188 ILE H H 8.872 0.005 1 846 663 188 ILE HG2 H 0.547 0.002 1 847 663 188 ILE HD1 H 0.367 0.002 1 848 663 188 ILE CA C 57.901 0.044 1 849 663 188 ILE CB C 34.721 0.019 1 850 663 188 ILE CG1 C 27.322 0.006 1 851 663 188 ILE CG2 C 17.363 0.007 1 852 663 188 ILE CD1 C 7.484 0.015 1 853 663 188 ILE N N 126.790 0.027 1 854 664 189 ARG H H 8.423 0.003 1 855 664 189 ARG CA C 54.366 0.022 1 856 664 189 ARG CB C 33.361 0.045 1 857 664 189 ARG N N 128.454 0.030 1 858 665 190 ASP H H 8.396 0.002 1 859 665 190 ASP CA C 55.171 0.038 1 860 665 190 ASP CB C 41.736 0.024 1 861 665 190 ASP N N 119.403 0.034 1 862 666 191 ALA H H 8.655 0.003 1 863 666 191 ALA HB H 1.448 0.003 1 864 666 191 ALA CA C 50.556 0.007 1 865 666 191 ALA CB C 18.813 0.008 1 866 666 191 ALA N N 124.438 0.025 1 867 667 192 PRO CA C 61.945 0.050 1 868 667 192 PRO CB C 32.410 0.048 1 869 668 193 GLN H H 8.422 0.003 1 870 668 193 GLN CA C 57.244 0.036 1 871 668 193 GLN CB C 29.332 0.084 1 872 668 193 GLN N N 118.523 0.038 1 873 669 194 ASP H H 8.579 0.004 1 874 669 194 ASP CA C 54.112 0.030 1 875 669 194 ASP CB C 39.794 0.041 1 876 669 194 ASP N N 118.186 0.028 1 877 670 195 PHE H H 7.253 0.002 1 878 670 195 PHE CA C 57.217 0.020 1 879 670 195 PHE CB C 41.103 0.045 1 880 670 195 PHE N N 119.784 0.026 1 881 671 196 HIS H H 7.818 0.004 1 882 671 196 HIS CA C 52.724 0.000 1 883 671 196 HIS CB C 30.423 0.000 1 884 671 196 HIS N N 122.616 0.038 1 885 672 197 PRO CA C 65.339 0.052 1 886 672 197 PRO CB C 30.786 0.000 1 887 673 198 ASP H H 8.645 0.003 1 888 673 198 ASP CA C 54.493 0.022 1 889 673 198 ASP CB C 39.269 0.025 1 890 673 198 ASP N N 111.348 0.033 1 891 674 199 ARG H H 7.530 0.002 1 892 674 199 ARG CA C 55.009 0.033 1 893 674 199 ARG CB C 30.438 0.047 1 894 674 199 ARG N N 117.013 0.015 1 895 675 200 VAL H H 7.135 0.003 1 896 675 200 VAL HG1 H 0.412 0.001 2 897 675 200 VAL HG2 H -0.186 0.001 2 898 675 200 VAL CA C 62.886 0.017 1 899 675 200 VAL CB C 31.206 0.042 1 900 675 200 VAL CG1 C 22.083 0.015 1 901 675 200 VAL CG2 C 20.946 0.008 1 902 675 200 VAL N N 124.122 0.027 1 903 676 201 LYS H H 8.086 0.002 1 904 676 201 LYS CA C 54.391 0.023 1 905 676 201 LYS CB C 36.306 0.020 1 906 676 201 LYS N N 124.743 0.016 1 907 677 202 ALA H H 8.658 0.002 1 908 677 202 ALA HB H 1.169 0.000 1 909 677 202 ALA CA C 50.377 0.022 1 910 677 202 ALA CB C 22.604 0.032 1 911 677 202 ALA N N 126.182 0.017 1 912 678 203 ARG H H 8.646 0.004 1 913 678 203 ARG CA C 55.154 0.046 1 914 678 203 ARG CB C 33.910 0.017 1 915 678 203 ARG N N 118.015 0.037 1 916 679 204 GLY H H 8.615 0.002 1 917 679 204 GLY CA C 45.325 0.000 1 918 679 204 GLY N N 111.388 0.034 1 919 680 205 PRO CA C 65.172 0.003 1 920 680 205 PRO CB C 31.843 0.043 1 921 681 206 GLY H H 9.187 0.002 1 922 681 206 GLY CA C 46.344 0.029 1 923 681 206 GLY N N 101.908 0.023 1 924 682 207 LEU H H 7.433 0.002 1 925 682 207 LEU HD1 H -0.722 0.002 2 926 682 207 LEU HD2 H -0.706 0.002 2 927 682 207 LEU CA C 53.045 0.037 1 928 682 207 LEU CB C 41.374 0.064 1 929 682 207 LEU CG C 25.559 0.031 1 930 682 207 LEU CD1 C 24.638 0.010 1 931 682 207 LEU CD2 C 19.113 0.007 1 932 682 207 LEU N N 115.287 0.020 1 933 683 208 GLU H H 7.135 0.004 1 934 683 208 GLU CA C 56.266 0.014 1 935 683 208 GLU CB C 30.964 0.037 1 936 683 208 GLU N N 121.582 0.012 1 937 684 209 LYS H H 8.563 0.002 1 938 684 209 LYS CA C 60.132 0.013 1 939 684 209 LYS CB C 33.318 0.033 1 940 684 209 LYS N N 119.019 0.009 1 941 685 210 THR H H 7.603 0.005 1 942 685 210 THR HG2 H 1.226 0.003 1 943 685 210 THR CA C 60.859 0.011 1 944 685 210 THR CB C 71.439 0.024 1 945 685 210 THR CG2 C 21.817 0.014 1 946 685 210 THR N N 106.784 0.062 1 947 686 211 GLY H H 8.450 0.004 1 948 686 211 GLY CA C 45.539 0.081 1 949 686 211 GLY N N 109.382 0.024 1 950 687 212 VAL H H 8.646 0.001 1 951 687 212 VAL HG1 H 0.939 0.001 2 952 687 212 VAL HG2 H 0.891 0.002 2 953 687 212 VAL CA C 64.173 0.037 1 954 687 212 VAL CB C 31.435 0.035 1 955 687 212 VAL CG1 C 24.075 0.001 1 956 687 212 VAL CG2 C 23.514 0.008 1 957 687 212 VAL N N 125.002 0.019 1 958 688 213 ALA H H 8.162 0.002 1 959 688 213 ALA HB H 1.231 0.000 1 960 688 213 ALA CA C 50.530 0.016 1 961 688 213 ALA CB C 22.505 0.016 1 962 688 213 ALA N N 130.598 0.015 1 963 689 214 VAL H H 7.736 0.003 1 964 689 214 VAL HG1 H 0.745 0.003 2 965 689 214 VAL HG2 H 0.771 0.002 2 966 689 214 VAL CA C 62.514 0.021 1 967 689 214 VAL CB C 32.619 0.033 1 968 689 214 VAL CG1 C 21.792 0.013 1 969 689 214 VAL CG2 C 20.838 0.003 1 970 689 214 VAL N N 115.178 0.017 1 971 690 215 ASN H H 8.857 0.004 1 972 690 215 ASN CA C 55.292 0.053 1 973 690 215 ASN CB C 36.990 0.004 1 974 690 215 ASN N N 113.271 0.029 1 975 691 216 LYS H H 7.447 0.001 1 976 691 216 LYS CA C 53.073 0.000 1 977 691 216 LYS CB C 34.157 0.000 1 978 691 216 LYS N N 119.171 0.022 1 979 692 217 PRO CA C 63.885 0.032 1 980 692 217 PRO CB C 31.614 0.046 1 981 693 218 ALA H H 9.220 0.005 1 982 693 218 ALA HB H 0.595 0.003 1 983 693 218 ALA CA C 50.716 0.037 1 984 693 218 ALA CB C 18.568 0.028 1 985 693 218 ALA N N 132.579 0.027 1 986 694 219 GLU H H 8.023 0.002 1 987 694 219 GLU CA C 55.627 0.069 1 988 694 219 GLU CB C 33.163 0.059 1 989 694 219 GLU N N 120.225 0.029 1 990 695 220 PHE H H 8.710 0.004 1 991 695 220 PHE CA C 57.114 0.005 1 992 695 220 PHE CB C 39.877 0.103 1 993 695 220 PHE N N 114.668 0.060 1 994 696 221 THR H H 9.193 0.005 1 995 696 221 THR HG2 H 1.237 0.003 1 996 696 221 THR CA C 61.068 0.101 1 997 696 221 THR CB C 72.068 0.060 1 998 696 221 THR CG2 C 21.402 0.016 1 999 696 221 THR N N 115.943 0.051 1 1000 697 222 VAL H H 9.185 0.005 1 1001 697 222 VAL HG1 H 1.087 0.003 2 1002 697 222 VAL HG2 H 0.728 0.002 2 1003 697 222 VAL CA C 61.664 0.025 1 1004 697 222 VAL CB C 33.817 0.044 1 1005 697 222 VAL CG1 C 22.234 0.008 1 1006 697 222 VAL CG2 C 21.363 0.003 1 1007 697 222 VAL N N 124.477 0.041 1 1008 698 223 ASP H H 9.395 0.003 1 1009 698 223 ASP CA C 53.409 0.033 1 1010 698 223 ASP CB C 41.590 0.012 1 1011 698 223 ASP N N 128.371 0.030 1 1012 699 224 ALA H H 8.743 0.002 1 1013 699 224 ALA HB H 0.754 0.001 1 1014 699 224 ALA CA C 50.239 0.036 1 1015 699 224 ALA CB C 20.874 0.035 1 1016 699 224 ALA N N 129.004 0.034 1 1017 700 225 LYS H H 8.378 0.002 1 1018 700 225 LYS CA C 60.759 0.037 1 1019 700 225 LYS CB C 32.489 0.047 1 1020 700 225 LYS N N 124.334 0.044 1 1021 701 226 HIS H H 8.690 0.004 1 1022 701 226 HIS CA C 55.071 0.027 1 1023 701 226 HIS CB C 30.632 0.033 1 1024 701 226 HIS N N 115.145 0.030 1 1025 702 227 GLY H H 7.831 0.004 1 1026 702 227 GLY CA C 46.451 0.049 1 1027 702 227 GLY N N 104.567 0.013 1 1028 703 228 GLY H H 9.079 0.004 1 1029 703 228 GLY CA C 44.817 0.028 1 1030 703 228 GLY N N 114.903 0.023 1 1031 704 229 LYS H H 8.653 0.002 1 1032 704 229 LYS CA C 55.944 0.022 1 1033 704 229 LYS CB C 33.483 0.026 1 1034 704 229 LYS N N 123.311 0.018 1 1035 705 230 ALA H H 7.102 0.002 1 1036 705 230 ALA HB H 0.318 0.002 1 1037 705 230 ALA CA C 50.058 0.003 1 1038 705 230 ALA CB C 19.107 0.010 1 1039 705 230 ALA N N 126.126 0.030 1 1040 706 231 PRO CA C 61.769 0.026 1 1041 706 231 PRO CB C 32.320 0.003 1 1042 707 232 LEU H H 8.346 0.002 1 1043 707 232 LEU HD1 H 0.250 0.001 2 1044 707 232 LEU HD2 H 1.018 0.002 2 1045 707 232 LEU CA C 53.903 0.029 1 1046 707 232 LEU CB C 43.725 0.004 1 1047 707 232 LEU CG C 27.335 0.000 1 1048 707 232 LEU CD1 C 26.529 0.012 1 1049 707 232 LEU CD2 C 24.182 0.009 1 1050 707 232 LEU N N 127.061 0.018 1 1051 708 233 ARG H H 8.923 0.002 1 1052 708 233 ARG CA C 55.575 0.031 1 1053 708 233 ARG CB C 33.657 0.056 1 1054 708 233 ARG N N 127.346 0.032 1 1055 709 234 VAL H H 8.882 0.003 1 1056 709 234 VAL HG1 H 0.879 0.000 2 1057 709 234 VAL HG2 H 1.043 0.000 2 1058 709 234 VAL CA C 61.485 0.029 1 1059 709 234 VAL CB C 34.024 0.043 1 1060 709 234 VAL CG1 C 22.017 0.000 1 1061 709 234 VAL CG2 C 21.569 0.003 1 1062 709 234 VAL N N 125.920 0.012 1 1063 710 235 GLN H H 8.985 0.003 1 1064 710 235 GLN CA C 54.626 0.045 1 1065 710 235 GLN CB C 32.949 0.028 1 1066 710 235 GLN N N 127.599 0.025 1 1067 711 236 VAL H H 9.246 0.002 1 1068 711 236 VAL HG1 H 0.316 0.002 2 1069 711 236 VAL HG2 H 0.407 0.002 2 1070 711 236 VAL CA C 60.637 0.032 1 1071 711 236 VAL CB C 32.882 0.030 1 1072 711 236 VAL CG1 C 20.742 0.027 1 1073 711 236 VAL CG2 C 20.089 0.002 1 1074 711 236 VAL N N 126.687 0.091 1 1075 712 237 GLN H H 8.506 0.003 1 1076 712 237 GLN CA C 54.037 0.009 1 1077 712 237 GLN CB C 33.473 0.048 1 1078 712 237 GLN N N 123.070 0.011 1 1079 713 238 ASP H H 8.007 0.006 1 1080 713 238 ASP CA C 52.847 0.020 1 1081 713 238 ASP CB C 40.859 0.070 1 1082 713 238 ASP N N 120.436 0.084 1 1083 714 239 ASN H H 6.996 0.003 1 1084 714 239 ASN CA C 54.596 0.030 1 1085 714 239 ASN CB C 38.038 0.047 1 1086 714 239 ASN N N 116.120 0.038 1 1087 715 240 GLU H H 8.484 0.002 1 1088 715 240 GLU CA C 55.164 0.058 1 1089 715 240 GLU CB C 30.527 0.007 1 1090 715 240 GLU N N 119.501 0.027 1 1091 716 241 GLY H H 7.765 0.002 1 1092 716 241 GLY CA C 45.069 0.038 1 1093 716 241 GLY N N 107.699 0.017 1 1094 717 242 CYS H H 8.288 0.003 1 1095 717 242 CYS CA C 56.662 0.000 1 1096 717 242 CYS CB C 27.079 0.000 1 1097 717 242 CYS N N 121.862 0.016 1 1098 718 243 PRO CA C 62.698 0.014 1 1099 718 243 PRO CB C 32.739 0.093 1 1100 719 244 VAL H H 8.263 0.003 1 1101 719 244 VAL HG1 H 1.130 0.001 2 1102 719 244 VAL HG2 H 1.103 0.003 2 1103 719 244 VAL CA C 61.290 0.051 1 1104 719 244 VAL CB C 34.089 0.054 1 1105 719 244 VAL CG1 C 21.947 0.026 1 1106 719 244 VAL CG2 C 21.422 0.020 1 1107 719 244 VAL N N 125.175 0.038 1 1108 720 245 GLU H H 8.688 0.003 1 1109 720 245 GLU CA C 58.290 0.041 1 1110 720 245 GLU CB C 30.286 0.043 1 1111 720 245 GLU N N 127.321 0.020 1 1112 721 246 ALA H H 8.428 0.002 1 1113 721 246 ALA HB H 1.239 0.003 1 1114 721 246 ALA CA C 50.011 0.021 1 1115 721 246 ALA CB C 20.445 0.018 1 1116 721 246 ALA N N 126.561 0.011 1 1117 722 247 LEU H H 9.250 0.002 1 1118 722 247 LEU HD1 H 1.549 0.002 2 1119 722 247 LEU HD2 H 0.845 0.002 2 1120 722 247 LEU CA C 54.548 0.025 1 1121 722 247 LEU CB C 43.097 0.020 1 1122 722 247 LEU CG C 29.683 0.000 1 1123 722 247 LEU CD1 C 27.467 0.006 1 1124 722 247 LEU CD2 C 24.376 0.004 1 1125 722 247 LEU N N 126.485 0.069 1 1126 723 248 VAL H H 8.475 0.003 1 1127 723 248 VAL HG1 H 0.949 0.003 2 1128 723 248 VAL HG2 H 0.897 0.002 2 1129 723 248 VAL CA C 61.988 0.035 1 1130 723 248 VAL CB C 34.736 0.030 1 1131 723 248 VAL CG1 C 22.202 0.013 1 1132 723 248 VAL CG2 C 20.597 0.008 1 1133 723 248 VAL N N 124.445 0.025 1 1134 724 249 LYS H H 8.951 0.002 1 1135 724 249 LYS CA C 54.727 0.028 1 1136 724 249 LYS CB C 34.528 0.048 1 1137 724 249 LYS N N 129.048 0.019 1 1138 725 250 ASP H H 8.781 0.004 1 1139 725 250 ASP CA C 53.591 0.034 1 1140 725 250 ASP CB C 41.270 0.041 1 1141 725 250 ASP N N 125.595 0.022 1 1142 726 251 ASN H H 8.296 0.003 1 1143 726 251 ASN CA C 54.539 0.020 1 1144 726 251 ASN CB C 38.367 0.033 1 1145 726 251 ASN N N 125.024 0.016 1 1146 727 252 GLY H H 9.286 0.002 1 1147 727 252 GLY CA C 46.139 0.053 1 1148 727 252 GLY N N 109.807 0.036 1 1149 728 253 ASN H H 7.507 0.002 1 1150 728 253 ASN CA C 51.480 0.074 1 1151 728 253 ASN CB C 38.528 0.069 1 1152 728 253 ASN N N 116.571 0.034 1 1153 729 254 GLY H H 8.966 0.004 1 1154 729 254 GLY CA C 45.531 0.036 1 1155 729 254 GLY N N 109.414 0.024 1 1156 730 255 THR H H 7.359 0.008 1 1157 730 255 THR HG2 H 1.112 0.002 1 1158 730 255 THR CA C 59.448 0.067 1 1159 730 255 THR CB C 73.255 0.035 1 1160 730 255 THR CG2 C 21.337 0.011 1 1161 730 255 THR N N 106.537 0.025 1 1162 731 256 TYR H H 9.078 0.003 1 1163 731 256 TYR CA C 56.539 0.012 1 1164 731 256 TYR CB C 41.736 0.034 1 1165 731 256 TYR N N 118.189 0.052 1 1166 732 257 SER H H 9.247 0.002 1 1167 732 257 SER CA C 58.559 0.033 1 1168 732 257 SER CB C 64.202 0.058 1 1169 732 257 SER N N 121.631 0.013 1 1170 733 258 CYS H H 8.855 0.003 1 1171 733 258 CYS CA C 55.904 0.054 1 1172 733 258 CYS CB C 30.787 0.009 1 1173 733 258 CYS N N 124.444 0.014 1 1174 734 259 SER H H 8.713 0.004 1 1175 734 259 SER CA C 57.436 0.060 1 1176 734 259 SER CB C 65.918 0.007 1 1177 734 259 SER N N 114.540 0.062 1 1178 735 260 TYR H H 8.276 0.001 1 1179 735 260 TYR CA C 56.184 0.018 1 1180 735 260 TYR CB C 41.353 0.058 1 1181 735 260 TYR N N 117.227 0.014 1 1182 736 261 VAL H H 9.033 0.007 1 1183 736 261 VAL HG1 H 0.551 0.004 2 1184 736 261 VAL HG2 H 0.711 0.001 2 1185 736 261 VAL CA C 58.683 0.025 1 1186 736 261 VAL CB C 32.634 0.021 1 1187 736 261 VAL CG1 C 20.736 0.017 1 1188 736 261 VAL CG2 C 20.398 0.003 1 1189 736 261 VAL N N 121.618 0.060 1 1190 737 262 PRO CA C 62.417 0.000 1 1191 737 262 PRO CB C 32.927 0.000 1 1192 738 263 ARG H H 10.228 0.001 1 1193 738 263 ARG CA C 55.016 0.032 1 1194 738 263 ARG CB C 32.559 0.031 1 1195 738 263 ARG N N 120.751 0.006 1 1196 739 264 LYS H H 7.976 0.004 1 1197 739 264 LYS CA C 52.885 0.000 1 1198 739 264 LYS CB C 37.459 0.000 1 1199 739 264 LYS N N 120.199 0.031 1 1200 740 265 PRO CA C 62.088 0.031 1 1201 740 265 PRO CB C 27.404 0.021 1 1202 741 266 VAL H H 8.093 0.003 1 1203 741 266 VAL HG1 H 0.863 0.001 2 1204 741 266 VAL HG2 H 0.737 0.001 2 1205 741 266 VAL CA C 58.141 0.025 1 1206 741 266 VAL CB C 37.073 0.028 1 1207 741 266 VAL CG1 C 21.526 0.021 1 1208 741 266 VAL CG2 C 18.926 0.024 1 1209 741 266 VAL N N 113.976 0.028 1 1210 742 267 LYS H H 8.522 0.001 1 1211 742 267 LYS CA C 58.171 0.006 1 1212 742 267 LYS CB C 32.293 0.006 1 1213 742 267 LYS N N 123.834 0.023 1 1214 743 268 HIS H H 9.622 0.001 1 1215 743 268 HIS CA C 54.909 0.013 1 1216 743 268 HIS CB C 32.002 0.082 1 1217 743 268 HIS N N 124.610 0.038 1 1218 744 269 THR H H 8.804 0.002 1 1219 744 269 THR HG2 H 1.081 0.001 1 1220 744 269 THR CA C 61.956 0.087 1 1221 744 269 THR CB C 70.225 0.026 1 1222 744 269 THR CG2 C 22.121 0.004 1 1223 744 269 THR N N 117.676 0.041 1 1224 745 270 ALA H H 9.612 0.002 1 1225 745 270 ALA HB H 1.004 0.002 1 1226 745 270 ALA CA C 49.762 0.020 1 1227 745 270 ALA CB C 20.298 0.036 1 1228 745 270 ALA N N 129.005 0.026 1 1229 746 271 MET H H 9.671 0.008 1 1230 746 271 MET CA C 54.022 0.101 1 1231 746 271 MET CB C 34.073 0.034 1 1232 746 271 MET N N 124.528 0.017 1 1233 747 272 VAL H H 8.721 0.004 1 1234 747 272 VAL HG1 H 1.014 0.001 2 1235 747 272 VAL HG2 H 0.934 0.003 2 1236 747 272 VAL CA C 61.308 0.057 1 1237 747 272 VAL CB C 34.032 0.045 1 1238 747 272 VAL CG1 C 22.897 0.007 1 1239 747 272 VAL CG2 C 20.544 0.021 1 1240 747 272 VAL N N 128.184 0.016 1 1241 748 273 SER H H 9.403 0.003 1 1242 748 273 SER CA C 56.168 0.024 1 1243 748 273 SER CB C 66.919 0.008 1 1244 748 273 SER N N 120.090 0.020 1 1245 749 274 TRP H H 9.298 0.003 1 1246 749 274 TRP CA C 54.533 0.012 1 1247 749 274 TRP CB C 33.428 0.083 1 1248 749 274 TRP N N 125.051 0.021 1 1249 750 275 GLY H H 9.055 0.002 1 1250 750 275 GLY CA C 47.841 0.051 1 1251 750 275 GLY N N 114.593 0.020 1 1252 751 276 GLY H H 8.797 0.004 1 1253 751 276 GLY CA C 44.542 0.039 1 1254 751 276 GLY N N 101.674 0.007 1 1255 752 277 VAL H H 7.584 0.003 1 1256 752 277 VAL HG1 H 1.127 0.002 2 1257 752 277 VAL HG2 H 1.127 0.002 2 1258 752 277 VAL CA C 60.976 0.037 1 1259 752 277 VAL CB C 34.327 0.088 1 1260 752 277 VAL CG1 C 22.100 0.022 1 1261 752 277 VAL CG2 C 21.258 0.030 1 1262 752 277 VAL N N 120.062 0.027 1 1263 753 278 SER H H 9.202 0.002 1 1264 753 278 SER CA C 59.570 0.000 1 1265 753 278 SER CB C 63.411 0.004 1 1266 753 278 SER N N 122.947 0.019 1 1267 754 279 ILE H H 7.763 0.003 1 1268 754 279 ILE HG2 H 0.953 0.001 1 1269 754 279 ILE HD1 H 0.836 0.001 1 1270 754 279 ILE CA C 61.024 0.036 1 1271 754 279 ILE CB C 35.511 0.018 1 1272 754 279 ILE CG1 C 25.004 0.000 1 1273 754 279 ILE CG2 C 18.221 0.013 1 1274 754 279 ILE CD1 C 16.087 0.013 1 1275 754 279 ILE N N 120.987 0.015 1 1276 755 280 PRO CA C 65.191 0.000 1 1277 755 280 PRO CB C 31.407 0.003 1 1278 756 281 ASN H H 8.377 0.003 1 1279 756 281 ASN CA C 55.846 0.018 1 1280 756 281 ASN CB C 37.675 0.037 1 1281 756 281 ASN N N 113.794 0.022 1 1282 757 282 SER H H 7.352 0.001 1 1283 757 282 SER CA C 54.728 0.000 1 1284 757 282 SER CB C 64.319 0.000 1 1285 757 282 SER N N 112.138 0.017 1 1286 758 283 PRO CA C 62.024 0.012 1 1287 758 283 PRO CB C 34.793 0.000 1 1288 759 284 PHE H H 9.143 0.006 1 1289 759 284 PHE CA C 56.718 0.035 1 1290 759 284 PHE CB C 40.292 0.047 1 1291 759 284 PHE N N 120.427 0.030 1 1292 760 285 ARG H H 8.603 0.003 1 1293 760 285 ARG CA C 56.343 0.081 1 1294 760 285 ARG CB C 31.030 0.013 1 1295 760 285 ARG N N 124.555 0.033 1 1296 761 286 VAL H H 9.257 0.002 1 1297 761 286 VAL HG1 H 0.845 0.003 2 1298 761 286 VAL HG2 H 0.740 0.002 2 1299 761 286 VAL CA C 61.631 0.030 1 1300 761 286 VAL CB C 36.069 0.034 1 1301 761 286 VAL CG1 C 20.247 0.013 1 1302 761 286 VAL CG2 C 18.832 0.000 1 1303 761 286 VAL N N 126.526 0.020 1 1304 762 287 ASN H H 8.403 0.001 1 1305 762 287 ASN CA C 53.405 0.030 1 1306 762 287 ASN CB C 38.494 0.022 1 1307 762 287 ASN N N 125.022 0.020 1 1308 763 288 VAL H H 7.095 0.001 1 1309 763 288 VAL HG1 H 0.790 0.002 2 1310 763 288 VAL HG2 H 0.705 0.002 2 1311 763 288 VAL CA C 63.126 0.021 1 1312 763 288 VAL CB C 31.685 0.056 1 1313 763 288 VAL CG1 C 22.403 0.009 1 1314 763 288 VAL CG2 C 22.199 0.017 1 1315 763 288 VAL N N 126.881 0.022 1 1316 764 289 GLY H H 8.634 0.004 1 1317 764 289 GLY CA C 44.088 0.031 1 1318 764 289 GLY N N 114.014 0.029 1 1319 765 290 ALA H H 8.356 0.002 1 1320 765 290 ALA HB H 1.458 0.002 1 1321 765 290 ALA CA C 52.716 0.051 1 1322 765 290 ALA CB C 19.697 0.022 1 1323 765 290 ALA N N 121.489 0.039 1 1324 766 291 GLY H H 7.897 0.003 1 1325 766 291 GLY CA C 46.253 0.000 1 1326 766 291 GLY N N 113.160 0.026 1 stop_ save_