data_27843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for the ligand-binding domain of human ionotropic glutamate receptor 2 complexed with kainate ; _BMRB_accession_number 27843 _BMRB_flat_file_name bmr27843.str _Entry_type original _Submission_date 2019-03-19 _Accession_date 2019-03-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'human flip variant form of GluR2-LBD complexed with kainate' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sakakura Masayoshi . . 2 Ohkubo Yumi . . 3 Oshima Hiraku . . 4 Re Suyong . . 5 Ito Masahiro . . 6 Sugita Yuij . . 7 Takahashi Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 "13C chemical shifts" 488 "15N chemical shifts" 252 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-13 update BMRB 'update entry citation' 2019-09-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15496 'rat flop variant form of GluR2-LBD complexed with kainate' 27840 'human flip variant form of GluR2-LBD complexed with glutamate' 27841 'human T686A and flip variant form of GluR2-LBD complexed with glutamate' 27842 'human T686S and flip variant form of GluR2-LBD complexed with glutamate' stop_ _Original_release_date 2019-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Mechanisms Underlying Activity Changes in an AMPA-type Glutamate Receptor Induced by Substitutions in Its Ligand-Binding Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31585769 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sakakura Masayoshi . . 2 Ohkubo Yumi . . 3 Oshima Hiraku . . 4 Re Suyong . . 5 Ito Masahiro . . 6 Sugita Yuij . . 7 Takahashi Hideo . . stop_ _Journal_abbreviation Structure _Journal_volume 27 _Journal_issue 11 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1698 _Page_last 1709 _Year 2019 _Details . loop_ _Keyword AMPAR 'hydrogen-deuterium exchange' 'nuclear magnetic resonance' 'relaxation dispersion' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hGluR2-LBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hGluR2-LBD $hGluR2-LBD kainate $entity_KAI 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_hGluR2-LBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hGluR2-LBD _Molecular_mass 29236.77 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; GANKTVVVTTILESPYVMMK KNHEMLEGNERYEGYCVDLA AEIAKHCGFKYKLTIVGDGK YGARDADTKIWNGMVGELVY GKADIAIAPLTITLVREEVI DFSKPFMSLGISIMIKKGTP IESAEDLSKQTEIAYGTLDS GSTKEFFRRSKIAVFDKMWT YMRSAEPSVFVRTTAEGVAR VRKSKGKYAYLLESTMNEYI EQRKPCDTMKVGGNLDSKGY GIATPKGSSLRTPVNLAVLK LSEQGVLDKLKNKWWYDKGE CGA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 390 GLY 2 391 ALA 3 392 ASN 4 393 LYS 5 394 THR 6 395 VAL 7 396 VAL 8 397 VAL 9 398 THR 10 399 THR 11 400 ILE 12 401 LEU 13 402 GLU 14 403 SER 15 404 PRO 16 405 TYR 17 406 VAL 18 407 MET 19 408 MET 20 409 LYS 21 410 LYS 22 411 ASN 23 412 HIS 24 413 GLU 25 414 MET 26 415 LEU 27 416 GLU 28 417 GLY 29 418 ASN 30 419 GLU 31 420 ARG 32 421 TYR 33 422 GLU 34 423 GLY 35 424 TYR 36 425 CYS 37 426 VAL 38 427 ASP 39 428 LEU 40 429 ALA 41 430 ALA 42 431 GLU 43 432 ILE 44 433 ALA 45 434 LYS 46 435 HIS 47 436 CYS 48 437 GLY 49 438 PHE 50 439 LYS 51 440 TYR 52 441 LYS 53 442 LEU 54 443 THR 55 444 ILE 56 445 VAL 57 446 GLY 58 447 ASP 59 448 GLY 60 449 LYS 61 450 TYR 62 451 GLY 63 452 ALA 64 453 ARG 65 454 ASP 66 455 ALA 67 456 ASP 68 457 THR 69 458 LYS 70 459 ILE 71 460 TRP 72 461 ASN 73 462 GLY 74 463 MET 75 464 VAL 76 465 GLY 77 466 GLU 78 467 LEU 79 468 VAL 80 469 TYR 81 470 GLY 82 471 LYS 83 472 ALA 84 473 ASP 85 474 ILE 86 475 ALA 87 476 ILE 88 477 ALA 89 478 PRO 90 479 LEU 91 480 THR 92 481 ILE 93 482 THR 94 483 LEU 95 484 VAL 96 485 ARG 97 486 GLU 98 487 GLU 99 488 VAL 100 489 ILE 101 490 ASP 102 491 PHE 103 492 SER 104 493 LYS 105 494 PRO 106 495 PHE 107 496 MET 108 497 SER 109 498 LEU 110 499 GLY 111 500 ILE 112 501 SER 113 502 ILE 114 503 MET 115 504 ILE 116 505 LYS 117 506 LYS 118 507 GLY 119 508 THR 120 509 PRO 121 510 ILE 122 511 GLU 123 635 SER 124 636 ALA 125 637 GLU 126 638 ASP 127 639 LEU 128 640 SER 129 641 LYS 130 642 GLN 131 643 THR 132 644 GLU 133 645 ILE 134 646 ALA 135 647 TYR 136 648 GLY 137 649 THR 138 650 LEU 139 651 ASP 140 652 SER 141 653 GLY 142 654 SER 143 655 THR 144 656 LYS 145 657 GLU 146 658 PHE 147 659 PHE 148 660 ARG 149 661 ARG 150 662 SER 151 663 LYS 152 664 ILE 153 665 ALA 154 666 VAL 155 667 PHE 156 668 ASP 157 669 LYS 158 670 MET 159 671 TRP 160 672 THR 161 673 TYR 162 674 MET 163 675 ARG 164 676 SER 165 677 ALA 166 678 GLU 167 679 PRO 168 680 SER 169 681 VAL 170 682 PHE 171 683 VAL 172 684 ARG 173 685 THR 174 686 THR 175 687 ALA 176 688 GLU 177 689 GLY 178 690 VAL 179 691 ALA 180 692 ARG 181 693 VAL 182 694 ARG 183 695 LYS 184 696 SER 185 697 LYS 186 698 GLY 187 699 LYS 188 700 TYR 189 701 ALA 190 702 TYR 191 703 LEU 192 704 LEU 193 705 GLU 194 706 SER 195 707 THR 196 708 MET 197 709 ASN 198 710 GLU 199 711 TYR 200 712 ILE 201 713 GLU 202 714 GLN 203 715 ARG 204 716 LYS 205 717 PRO 206 718 CYS 207 719 ASP 208 720 THR 209 721 MET 210 722 LYS 211 723 VAL 212 724 GLY 213 725 GLY 214 726 ASN 215 727 LEU 216 728 ASP 217 729 SER 218 730 LYS 219 731 GLY 220 732 TYR 221 733 GLY 222 734 ILE 223 735 ALA 224 736 THR 225 737 PRO 226 738 LYS 227 739 GLY 228 740 SER 229 741 SER 230 742 LEU 231 743 ARG 232 744 THR 233 745 PRO 234 746 VAL 235 747 ASN 236 748 LEU 237 749 ALA 238 750 VAL 239 751 LEU 240 752 LYS 241 753 LEU 242 754 SER 243 755 GLU 244 756 GLN 245 757 GLY 246 758 VAL 247 759 LEU 248 760 ASP 249 761 LYS 250 762 LEU 251 763 LYS 252 764 ASN 253 765 LYS 254 766 TRP 255 767 TRP 256 768 TYR 257 769 ASP 258 770 LYS 259 771 GLY 260 772 GLU 261 773 CYS 262 774 GLY 263 775 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI NP_000817.2 'human glutamate receptor 2 isoform 1' . . . . . stop_ save_ ############# # Ligands # ############# save_KAI _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE _BMRB_code KAI _PDB_code KAI _Molecular_mass 213.230 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CD CD C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CB1 CB1 C . 0 . ? CG CG C . 0 . ? CG1 CG1 C . 0 . ? CG2 CG2 C . 0 . ? C C C . 0 . ? O O O . 0 . ? OD1 OD1 O . 0 . ? OD2 OD2 O . 0 . ? OXT OXT O . 0 . ? HN1 HN1 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HD11 HD11 H . 0 . ? HD12 HD12 H . 0 . ? HD21 HD21 H . 0 . ? HD22 HD22 H . 0 . ? HD23 HD23 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HB11 HB11 H . 0 . ? HB12 HB12 H . 0 . ? HG HG H . 0 . ? HOD1 HOD1 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CD ? ? SING N CA ? ? SING N HN1 ? ? SING CD CG ? ? SING CD HD1 ? ? SING CD HD2 ? ? DOUB CD1 CG2 ? ? SING CD1 HD11 ? ? SING CD1 HD12 ? ? SING CD2 CG2 ? ? SING CD2 HD21 ? ? SING CD2 HD22 ? ? SING CD2 HD23 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CB1 ? ? SING CB CG ? ? SING CB HB ? ? SING CB1 CG1 ? ? SING CB1 HB11 ? ? SING CB1 HB12 ? ? SING CG CG2 ? ? SING CG HG ? ? SING CG1 OD1 ? ? DOUB CG1 OD2 ? ? DOUB C O ? ? SING C OXT ? ? SING OD1 HOD1 ? ? SING OXT HXT ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant $hGluR2-LBD Human 9606 Eukaryota Metazoa Homo sapiens 'flip variant' 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 $hGluR2-LBD 'recombinant technology' . Escherichia coli 'Origami B (DE3)' pET15b 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 $hGluR2-LBD 0.19 mM '[U-13C; U-15N]' kainate 2.9 mM 'natural abundance' 'acetic acid' 10.1 mM 'natural abundance' 'sodium acetate' 13.9 mM 'natural abundance' 'sodium chloride' 24 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2012.090.12.09 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.134 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 Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 'ionic strength' 0.038 . M pH 4.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.038 . M pH 4.9 . pH pressure 1 . atm temperature 300.2 . 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 external indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1 DSS N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 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 '1H and 15N chemical shift measurements' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' 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 hGluR2-LBD _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 1 390 1 GLY CA C 43.332 0.469 1 2 391 2 ALA H H 8.615 0.007 1 3 391 2 ALA CA C 52.493 0.469 1 4 391 2 ALA CB C 19.393 0.586 1 5 391 2 ALA N N 123.411 0.156 1 6 392 3 ASN H H 8.592 0.007 1 7 392 3 ASN CA C 53.247 0.469 1 8 392 3 ASN CB C 38.763 0.586 1 9 392 3 ASN N N 118.568 0.156 1 10 393 4 LYS H H 8.228 0.007 1 11 393 4 LYS CA C 56.139 0.469 1 12 393 4 LYS CB C 33.458 0.586 1 13 393 4 LYS N N 121.704 0.156 1 14 394 5 THR H H 8.46 0.007 1 15 394 5 THR CA C 63.294 0.469 1 16 394 5 THR CB C 68.898 0.586 1 17 394 5 THR N N 121.015 0.156 1 18 395 6 VAL H H 8.744 0.007 1 19 395 6 VAL CA C 62.812 0.469 1 20 395 6 VAL CB C 32.849 0.586 1 21 395 6 VAL N N 129.961 0.156 1 22 396 7 VAL H H 9.889 0.007 1 23 396 7 VAL CA C 63.617 0.469 1 24 396 7 VAL CB C 32.618 0.586 1 25 396 7 VAL N N 130.243 0.156 1 26 397 8 VAL H H 8.752 0.007 1 27 397 8 VAL CA C 59.776 0.469 1 28 397 8 VAL CB C 33.155 0.586 1 29 397 8 VAL N N 130.708 0.156 1 30 398 9 THR H H 9.022 0.007 1 31 398 9 THR CA C 59.619 0.469 1 32 398 9 THR CB C 68.688 0.586 1 33 398 9 THR N N 124.292 0.156 1 34 399 10 THR H H 7.948 0.007 1 35 399 10 THR CA C 61.165 0.469 1 36 399 10 THR CB C 68.661 0.586 1 37 399 10 THR N N 123.887 0.156 1 38 400 11 ILE H H 8.141 0.007 1 39 400 11 ILE CA C 59.427 0.469 1 40 400 11 ILE CB C 42.593 0.586 1 41 400 11 ILE N N 119.427 0.156 1 42 401 12 LEU H H 7.571 0.007 1 43 401 12 LEU CA C 55.124 0.469 1 44 401 12 LEU CB C 40.037 0.586 1 45 401 12 LEU N N 122.049 0.156 1 46 402 13 GLU H H 7.87 0.007 1 47 402 13 GLU CA C 55.941 0.469 1 48 402 13 GLU CB C 32.124 0.586 1 49 402 13 GLU N N 127.155 0.156 1 50 403 14 SER H H 9.6 0.007 1 51 403 14 SER CA C 58.677 0.469 1 52 403 14 SER CB C 62.476 0.586 1 53 403 14 SER N N 130.888 0.156 1 54 404 15 PRO CA C 63.759 0.469 1 55 405 16 TYR H H 8.115 0.007 1 56 405 16 TYR CA C 62.253 0.469 1 57 405 16 TYR CB C 37.472 0.586 1 58 405 16 TYR N N 124.834 0.156 1 59 406 17 VAL H H 7.916 0.007 1 60 406 17 VAL CA C 63.898 0.469 1 61 406 17 VAL CB C 34.492 0.586 1 62 406 17 VAL N N 116.726 0.156 1 63 407 18 MET H H 9.364 0.007 1 64 407 18 MET CA C 53.84 0.469 1 65 407 18 MET CB C 35.968 0.586 1 66 407 18 MET N N 125.387 0.156 1 67 408 19 MET H H 8.813 0.007 1 68 408 19 MET CA C 54.668 0.469 1 69 408 19 MET CB C 31.178 0.586 1 70 408 19 MET N N 119.262 0.156 1 71 409 20 LYS H H 8.571 0.007 1 72 409 20 LYS CA C 57.392 0.469 1 73 409 20 LYS CB C 34.064 0.586 1 74 409 20 LYS N N 125.763 0.156 1 75 410 21 LYS H H 8.942 0.007 1 76 410 21 LYS CA C 58.593 0.469 1 77 410 21 LYS CB C 31.995 0.586 1 78 410 21 LYS N N 123.543 0.156 1 79 411 22 ASN H H 8.798 0.007 1 80 411 22 ASN CA C 53.21 0.469 1 81 411 22 ASN CB C 36.706 0.586 1 82 411 22 ASN N N 116.305 0.156 1 83 412 23 HIS H H 7.723 0.007 1 84 412 23 HIS CA C 58.586 0.469 1 85 412 23 HIS CB C 28.416 0.586 1 86 412 23 HIS N N 114.525 0.156 1 87 413 24 GLU H H 8.809 0.007 1 88 413 24 GLU CA C 58.927 0.469 1 89 413 24 GLU CB C 28.519 0.586 1 90 413 24 GLU N N 120.328 0.156 1 91 414 25 MET H H 7.912 0.007 1 92 414 25 MET CA C 54.951 0.469 1 93 414 25 MET CB C 32.134 0.586 1 94 414 25 MET N N 115.965 0.156 1 95 415 26 LEU H H 7.495 0.007 1 96 415 26 LEU CA C 53.394 0.469 1 97 415 26 LEU CB C 44.39 0.586 1 98 415 26 LEU N N 121.358 0.156 1 99 416 27 GLU H H 8.391 0.007 1 100 416 27 GLU CA C 54.333 0.469 1 101 416 27 GLU CB C 32.986 0.586 1 102 416 27 GLU N N 117.56 0.156 1 103 417 28 GLY H H 8.897 0.007 1 104 417 28 GLY CA C 46.48 0.469 1 105 417 28 GLY N N 108.926 0.156 1 106 418 29 ASN H H 9.574 0.007 1 107 418 29 ASN CA C 55.46 0.469 1 108 418 29 ASN CB C 37.154 0.586 1 109 418 29 ASN N N 124.787 0.156 1 110 419 30 GLU H H 7.878 0.007 1 111 419 30 GLU CA C 57.417 0.469 1 112 419 30 GLU CB C 29.574 0.586 1 113 419 30 GLU N N 115.739 0.156 1 114 420 31 ARG H H 6.929 0.007 1 115 420 31 ARG CA C 58.708 0.469 1 116 420 31 ARG CB C 31.258 0.586 1 117 420 31 ARG N N 113.988 0.156 1 118 421 32 TYR H H 6.926 0.007 1 119 421 32 TYR CA C 55.704 0.469 1 120 421 32 TYR CB C 42.857 0.586 1 121 421 32 TYR N N 113.624 0.156 1 122 422 33 GLU H H 9.227 0.007 1 123 422 33 GLU CA C 53.858 0.469 1 124 422 33 GLU CB C 33.213 0.586 1 125 422 33 GLU N N 115.46 0.156 1 126 423 34 GLY H H 8.302 0.007 1 127 423 34 GLY CA C 42.43 0.469 1 128 423 34 GLY N N 108.241 0.156 1 129 424 35 TYR H H 7.437 0.007 1 130 424 35 TYR CA C 63.125 0.469 1 131 424 35 TYR CB C 40.1 0.586 1 132 424 35 TYR N N 118.692 0.156 1 133 425 36 CYS H H 10.354 0.007 1 134 425 36 CYS CA C 64.03 0.469 1 135 425 36 CYS CB C 27.206 0.586 1 136 425 36 CYS N N 114.438 0.156 1 137 426 37 VAL H H 6.648 0.007 1 138 426 37 VAL CA C 66.525 0.469 1 139 426 37 VAL CB C 31.096 0.586 1 140 426 37 VAL N N 122.773 0.156 1 141 427 38 ASP H H 8.14 0.007 1 142 427 38 ASP CA C 57.323 0.469 1 143 427 38 ASP CB C 41.09 0.586 1 144 427 38 ASP N N 122.437 0.156 1 145 428 39 LEU H H 8.418 0.007 1 146 428 39 LEU CA C 57.898 0.469 1 147 428 39 LEU CB C 41.829 0.586 1 148 428 39 LEU N N 120.19 0.156 1 149 429 40 ALA H H 8.012 0.007 1 150 429 40 ALA CA C 55.645 0.469 1 151 429 40 ALA CB C 17.525 0.586 1 152 429 40 ALA N N 120.161 0.156 1 153 430 41 ALA H H 7.245 0.007 1 154 430 41 ALA CA C 55.371 0.469 1 155 430 41 ALA CB C 18.033 0.586 1 156 430 41 ALA N N 117.918 0.156 1 157 431 42 GLU H H 7.752 0.007 1 158 431 42 GLU CA C 58.748 0.469 1 159 431 42 GLU CB C 29.971 0.586 1 160 431 42 GLU N N 117.687 0.156 1 161 432 43 ILE H H 8.672 0.007 1 162 432 43 ILE CA C 63.768 0.469 1 163 432 43 ILE CB C 36.172 0.586 1 164 432 43 ILE N N 121.004 0.156 1 165 433 44 ALA H H 8.214 0.007 1 166 433 44 ALA CA C 55.362 0.469 1 167 433 44 ALA CB C 20.184 0.586 1 168 433 44 ALA N N 122.755 0.156 1 169 434 45 LYS H H 7.665 0.007 1 170 434 45 LYS CA C 59.021 0.469 1 171 434 45 LYS CB C 32.233 0.586 1 172 434 45 LYS N N 117.264 0.156 1 173 435 46 HIS H H 7.661 0.007 1 174 435 46 HIS CA C 59.45 0.469 1 175 435 46 HIS CB C 29.967 0.586 1 176 435 46 HIS N N 116.122 0.156 1 177 436 47 CYS H H 8.087 0.007 1 178 436 47 CYS CA C 60.71 0.469 1 179 436 47 CYS CB C 29.804 0.586 1 180 436 47 CYS N N 114.057 0.156 1 181 437 48 GLY H H 7.954 0.007 1 182 437 48 GLY CA C 46.718 0.469 1 183 437 48 GLY N N 109.009 0.156 1 184 438 49 PHE H H 7.141 0.007 1 185 438 49 PHE CA C 54.266 0.469 1 186 438 49 PHE CB C 41.109 0.586 1 187 438 49 PHE N N 113.7 0.156 1 188 439 50 LYS H H 8.877 0.007 1 189 439 50 LYS CA C 55.234 0.469 1 190 439 50 LYS CB C 33.864 0.586 1 191 439 50 LYS N N 121.169 0.156 1 192 440 51 TYR H H 8.48 0.007 1 193 440 51 TYR CA C 55.65 0.469 1 194 440 51 TYR CB C 42.727 0.586 1 195 440 51 TYR N N 116.928 0.156 1 196 441 52 LYS H H 8.905 0.007 1 197 441 52 LYS CA C 54.354 0.469 1 198 441 52 LYS CB C 35.97 0.586 1 199 441 52 LYS N N 122.081 0.156 1 200 442 53 LEU H H 8.782 0.007 1 201 442 53 LEU CA C 55.134 0.469 1 202 442 53 LEU CB C 42.798 0.586 1 203 442 53 LEU N N 124.994 0.156 1 204 443 54 THR H H 8.755 0.007 1 205 443 54 THR CA C 60.005 0.469 1 206 443 54 THR CB C 71.434 0.586 1 207 443 54 THR N N 118.927 0.156 1 208 444 55 ILE H H 8.166 0.007 1 209 444 55 ILE CA C 57.323 0.469 1 210 444 55 ILE CB C 35.354 0.586 1 211 444 55 ILE N N 122.91 0.156 1 212 445 56 VAL H H 8.799 0.007 1 213 445 56 VAL CA C 61.394 0.469 1 214 445 56 VAL CB C 30.846 0.586 1 215 445 56 VAL N N 130.697 0.156 1 216 446 57 GLY H H 8.862 0.007 1 217 446 57 GLY CA C 48.21 0.469 1 218 446 57 GLY N N 117.557 0.156 1 219 447 58 ASP H H 7.906 0.007 1 220 447 58 ASP CA C 52.637 0.469 1 221 447 58 ASP CB C 40.51 0.586 1 222 447 58 ASP N N 116.765 0.156 1 223 448 59 GLY H H 7.3 0.007 1 224 448 59 GLY CA C 46.729 0.469 1 225 448 59 GLY N N 105.372 0.156 1 226 449 60 LYS H H 7.818 0.007 1 227 449 60 LYS CA C 54.722 0.469 1 228 449 60 LYS CB C 34.691 0.586 1 229 449 60 LYS N N 118.604 0.156 1 230 450 61 TYR H H 8.432 0.007 1 231 450 61 TYR CA C 61.689 0.469 1 232 450 61 TYR CB C 38.247 0.586 1 233 450 61 TYR N N 119.645 0.156 1 234 451 62 GLY H H 8.298 0.007 1 235 451 62 GLY CA C 47.892 0.469 1 236 451 62 GLY N N 104.545 0.156 1 237 452 63 ALA H H 8.743 0.007 1 238 452 63 ALA CA C 51.564 0.469 1 239 452 63 ALA CB C 22.162 0.586 1 240 452 63 ALA N N 135.025 0.156 1 241 453 64 ARG H H 7.833 0.007 1 242 453 64 ARG CA C 54.392 0.469 1 243 453 64 ARG CB C 30.377 0.586 1 244 453 64 ARG N N 121.782 0.156 1 245 454 65 ASP H H 7.898 0.007 1 246 454 65 ASP CA C 55.036 0.469 1 247 454 65 ASP CB C 42.897 0.586 1 248 454 65 ASP N N 129.673 0.156 1 249 455 66 ALA H H 8.764 0.007 1 250 455 66 ALA CA C 54.843 0.469 1 251 455 66 ALA CB C 18.917 0.586 1 252 455 66 ALA N N 129.128 0.156 1 253 456 67 ASP H H 8.45 0.007 1 254 456 67 ASP CA C 56.203 0.469 1 255 456 67 ASP CB C 41.634 0.586 1 256 456 67 ASP N N 115.463 0.156 1 257 457 68 THR H H 8.611 0.007 1 258 457 68 THR CA C 62.333 0.469 1 259 457 68 THR CB C 70.307 0.586 1 260 457 68 THR N N 109.728 0.156 1 261 458 69 LYS H H 7.852 0.007 1 262 458 69 LYS CA C 57.611 0.469 1 263 458 69 LYS CB C 29.075 0.586 1 264 458 69 LYS N N 113.982 0.156 1 265 459 70 ILE H H 7.424 0.007 1 266 459 70 ILE CA C 60.248 0.469 1 267 459 70 ILE CB C 39.038 0.586 1 268 459 70 ILE N N 119.441 0.156 1 269 460 71 TRP H H 8.724 0.007 1 270 460 71 TRP HE1 H 10.132 0.007 1 271 460 71 TRP CA C 58.438 0.469 1 272 460 71 TRP CB C 29.956 0.586 1 273 460 71 TRP N N 129.27 0.156 1 274 460 71 TRP NE1 N 130.057 0.156 1 275 461 72 ASN H H 8.42 0.007 1 276 461 72 ASN CA C 49.923 0.469 1 277 461 72 ASN CB C 39.965 0.586 1 278 461 72 ASN N N 120.455 0.156 1 279 462 73 GLY H H 10.196 0.007 1 280 462 73 GLY CA C 46.64 0.469 1 281 462 73 GLY N N 106.526 0.156 1 282 463 74 MET H H 7.399 0.007 1 283 463 74 MET CA C 59.355 0.469 1 284 463 74 MET CB C 34.07 0.586 1 285 463 74 MET N N 123.489 0.156 1 286 464 75 VAL H H 7.673 0.007 1 287 464 75 VAL CA C 67.549 0.469 1 288 464 75 VAL CB C 31.805 0.586 1 289 464 75 VAL N N 114.588 0.156 1 290 465 76 GLY H H 7.85 0.007 1 291 465 76 GLY CA C 47.27 0.469 1 292 465 76 GLY N N 106.679 0.156 1 293 466 77 GLU H H 7.766 0.007 1 294 466 77 GLU CA C 60.629 0.469 1 295 466 77 GLU CB C 28.896 0.586 1 296 466 77 GLU N N 118.687 0.156 1 297 467 78 LEU H H 7.385 0.007 1 298 467 78 LEU CA C 56.979 0.469 1 299 467 78 LEU CB C 42.075 0.586 1 300 467 78 LEU N N 116.613 0.156 1 301 468 79 VAL H H 8.261 0.007 1 302 468 79 VAL CA C 65.649 0.469 1 303 468 79 VAL CB C 31.801 0.586 1 304 468 79 VAL N N 119.504 0.156 1 305 469 80 TYR H H 8.188 0.007 1 306 469 80 TYR CA C 56.836 0.469 1 307 469 80 TYR CB C 36.588 0.586 1 308 469 80 TYR N N 114.633 0.156 1 309 470 81 GLY H H 7.261 0.007 1 310 470 81 GLY CA C 47.216 0.469 1 311 470 81 GLY N N 106.631 0.156 1 312 471 82 LYS H H 8.722 0.007 1 313 471 82 LYS CA C 56.284 0.469 1 314 471 82 LYS CB C 33.228 0.586 1 315 471 82 LYS N N 118.544 0.156 1 316 472 83 ALA H H 7.493 0.007 1 317 472 83 ALA CA C 50.59 0.469 1 318 472 83 ALA CB C 22.33 0.586 1 319 472 83 ALA N N 119.26 0.156 1 320 473 84 ASP H H 8.698 0.007 1 321 473 84 ASP CA C 56.396 0.469 1 322 473 84 ASP CB C 44.174 0.586 1 323 473 84 ASP N N 117.425 0.156 1 324 474 85 ILE H H 7.628 0.007 1 325 474 85 ILE CA C 59.537 0.469 1 326 474 85 ILE CB C 41.624 0.586 1 327 474 85 ILE N N 114.242 0.156 1 328 475 86 ALA H H 9.17 0.007 1 329 475 86 ALA CA C 50.506 0.469 1 330 475 86 ALA CB C 22.204 0.586 1 331 475 86 ALA N N 127.544 0.156 1 332 476 87 ILE H H 7.498 0.007 1 333 476 87 ILE CA C 62.047 0.469 1 334 476 87 ILE CB C 37.976 0.586 1 335 476 87 ILE N N 122.429 0.156 1 336 477 88 ALA H H 9.433 0.007 1 337 477 88 ALA CA C 51.336 0.469 1 338 477 88 ALA CB C 21.979 0.586 1 339 477 88 ALA N N 131.485 0.156 1 340 478 89 PRO CA C 60.898 0.469 1 341 478 89 PRO CB C 26.298 0.586 1 342 479 90 LEU H H 7.882 0.007 1 343 479 90 LEU CA C 53.113 0.469 1 344 479 90 LEU CB C 44.446 0.586 1 345 479 90 LEU N N 124.862 0.156 1 346 480 91 THR H H 8.173 0.007 1 347 480 91 THR CA C 65.24 0.469 1 348 480 91 THR CB C 67.15 0.586 1 349 480 91 THR N N 123.742 0.156 1 350 481 92 ILE H H 8.118 0.007 1 351 481 92 ILE CA C 62.846 0.469 1 352 481 92 ILE CB C 37.218 0.586 1 353 481 92 ILE N N 127.109 0.156 1 354 482 93 THR H H 6.512 0.007 1 355 482 93 THR CA C 58.029 0.469 1 356 482 93 THR CB C 71.88 0.586 1 357 482 93 THR N N 117.267 0.156 1 358 483 94 LEU H H 8.588 0.007 1 359 483 94 LEU CA C 58.2 0.469 1 360 483 94 LEU CB C 41.767 0.586 1 361 483 94 LEU N N 124.078 0.156 1 362 484 95 VAL H H 8.007 0.007 1 363 484 95 VAL CA C 65.458 0.469 1 364 484 95 VAL CB C 31.69 0.586 1 365 484 95 VAL N N 115.654 0.156 1 366 485 96 ARG H H 7.384 0.007 1 367 485 96 ARG CA C 59.767 0.469 1 368 485 96 ARG CB C 31.318 0.586 1 369 485 96 ARG N N 118.385 0.156 1 370 486 97 GLU H H 8.494 0.007 1 371 486 97 GLU CA C 57.678 0.469 1 372 486 97 GLU CB C 29.452 0.586 1 373 486 97 GLU N N 118.329 0.156 1 374 487 98 GLU H H 7.314 0.007 1 375 487 98 GLU CA C 59.103 0.469 1 376 487 98 GLU CB C 30.518 0.586 1 377 487 98 GLU N N 116.308 0.156 1 378 488 99 VAL H H 7.346 0.007 1 379 488 99 VAL CA C 61.347 0.469 1 380 488 99 VAL CB C 33.976 0.586 1 381 488 99 VAL N N 105.773 0.156 1 382 489 100 ILE H H 7.733 0.007 1 383 489 100 ILE CA C 59.441 0.469 1 384 489 100 ILE CB C 41.429 0.586 1 385 489 100 ILE N N 116.707 0.156 1 386 490 101 ASP H H 8.341 0.007 1 387 490 101 ASP CA C 52.764 0.469 1 388 490 101 ASP CB C 43.063 0.586 1 389 490 101 ASP N N 115.412 0.156 1 390 491 102 PHE H H 8.915 0.007 1 391 491 102 PHE CA C 56.551 0.469 1 392 491 102 PHE CB C 43.173 0.586 1 393 491 102 PHE N N 116.193 0.156 1 394 492 103 SER H H 8.866 0.007 1 395 492 103 SER CA C 58.359 0.469 1 396 492 103 SER CB C 67.566 0.586 1 397 492 103 SER N N 116.456 0.156 1 398 493 104 LYS H H 8.606 0.007 1 399 493 104 LYS CA C 54.979 0.469 1 400 493 104 LYS CB C 31.846 0.586 1 401 493 104 LYS N N 119.9 0.156 1 402 494 105 PRO CA C 63.176 0.469 1 403 494 105 PRO CB C 31.767 0.586 1 404 495 106 PHE H H 8.296 0.007 1 405 495 106 PHE CA C 55.58 0.469 1 406 495 106 PHE CB C 39.339 0.586 1 407 495 106 PHE N N 116.536 0.156 1 408 496 107 MET H H 6.8 0.007 1 409 496 107 MET CA C 56.156 0.469 1 410 496 107 MET CB C 37.062 0.586 1 411 496 107 MET N N 119.295 0.156 1 412 497 108 SER H H 8.314 0.007 1 413 497 108 SER CA C 57.566 0.469 1 414 497 108 SER CB C 64.457 0.586 1 415 497 108 SER N N 120.18 0.156 1 416 498 109 LEU H H 8.128 0.007 1 417 498 109 LEU CA C 55.187 0.469 1 418 498 109 LEU CB C 43.098 0.586 1 419 498 109 LEU N N 118.812 0.156 1 420 499 110 GLY H H 8.129 0.007 1 421 499 110 GLY CA C 45.084 0.469 1 422 499 110 GLY N N 104.808 0.156 1 423 500 111 ILE H H 9.43 0.007 1 424 500 111 ILE CA C 64.705 0.469 1 425 500 111 ILE CB C 37.645 0.586 1 426 500 111 ILE N N 124.484 0.156 1 427 501 112 SER H H 8.886 0.007 1 428 501 112 SER CA C 56.676 0.469 1 429 501 112 SER CB C 69.19 0.586 1 430 501 112 SER N N 121.483 0.156 1 431 502 113 ILE H H 8.494 0.007 1 432 502 113 ILE CA C 61.227 0.469 1 433 502 113 ILE CB C 37.549 0.586 1 434 502 113 ILE N N 118.329 0.156 1 435 503 114 MET H H 9.538 0.007 1 436 503 114 MET CA C 54.574 0.469 1 437 503 114 MET N N 130.924 0.156 1 438 504 115 ILE H H 8.418 0.007 1 439 504 115 ILE CA C 58.48 0.469 1 440 504 115 ILE N N 116.908 0.156 1 441 505 116 LYS H H 8.636 0.007 1 442 505 116 LYS CA C 55.468 0.469 1 443 505 116 LYS CB C 33.112 0.586 1 444 505 116 LYS N N 122.417 0.156 1 445 506 117 LYS H H 8.738 0.007 1 446 506 117 LYS CA C 60.015 0.469 1 447 506 117 LYS CB C 32.322 0.586 1 448 506 117 LYS N N 130.165 0.156 1 449 507 118 GLY H H 8.779 0.007 1 450 507 118 GLY CA C 44.719 0.469 1 451 507 118 GLY N N 112.797 0.156 1 452 635 123 SER CA C 56.689 0.469 1 453 635 123 SER CB C 66.66 0.586 1 454 636 124 ALA H H 9.164 0.007 1 455 636 124 ALA CA C 55.264 0.469 1 456 636 124 ALA CB C 17.673 0.586 1 457 636 124 ALA N N 123.093 0.156 1 458 637 125 GLU H H 8.617 0.007 1 459 637 125 GLU CA C 60.079 0.469 1 460 637 125 GLU CB C 28.573 0.586 1 461 637 125 GLU N N 117.579 0.156 1 462 638 126 ASP H H 7.928 0.007 1 463 638 126 ASP CA C 57.37 0.469 1 464 638 126 ASP CB C 40.737 0.586 1 465 638 126 ASP N N 119.287 0.156 1 466 639 127 LEU CA C 57.597 0.469 1 467 639 127 LEU CB C 40.567 0.586 1 468 640 128 SER H H 8.061 0.007 1 469 640 128 SER CA C 61.118 0.469 1 470 640 128 SER CB C 63.879 0.586 1 471 640 128 SER N N 111.345 0.156 1 472 641 129 LYS H H 7.066 0.007 1 473 641 129 LYS CA C 56.521 0.469 1 474 641 129 LYS CB C 33.436 0.586 1 475 641 129 LYS N N 120.082 0.156 1 476 642 130 GLN H H 7.76 0.007 1 477 642 130 GLN CA C 53.523 0.469 1 478 642 130 GLN CB C 31.214 0.586 1 479 642 130 GLN N N 116.053 0.156 1 480 643 131 THR H H 8.601 0.007 1 481 643 131 THR CA C 61.175 0.469 1 482 643 131 THR CB C 70.529 0.586 1 483 643 131 THR N N 106.361 0.156 1 484 644 132 GLU H H 7.407 0.007 1 485 644 132 GLU CA C 59.277 0.469 1 486 644 132 GLU CB C 30.52 0.586 1 487 644 132 GLU N N 124.817 0.156 1 488 645 133 ILE H H 9.792 0.007 1 489 645 133 ILE CA C 61.014 0.469 1 490 645 133 ILE CB C 38.097 0.586 1 491 645 133 ILE N N 121.841 0.156 1 492 646 134 ALA H H 7.908 0.007 1 493 646 134 ALA CA C 51.366 0.469 1 494 646 134 ALA CB C 21.055 0.586 1 495 646 134 ALA N N 130.025 0.156 1 496 647 135 TYR H H 6.469 0.007 1 497 647 135 TYR CA C 54.306 0.469 1 498 647 135 TYR CB C 39.527 0.586 1 499 647 135 TYR N N 111.686 0.156 1 500 648 136 GLY H H 6.971 0.007 1 501 648 136 GLY CA C 45.042 0.469 1 502 648 136 GLY N N 99.974 0.156 1 503 649 137 THR H H 6.24 0.007 1 504 649 137 THR CA C 60.119 0.469 1 505 649 137 THR CB C 72.662 0.586 1 506 649 137 THR N N 105.156 0.156 1 507 650 138 LEU H H 8.815 0.007 1 508 650 138 LEU CA C 56.671 0.469 1 509 650 138 LEU CB C 43.96 0.586 1 510 650 138 LEU N N 121.258 0.156 1 511 651 139 ASP H H 8.77 0.007 1 512 651 139 ASP CA C 55.439 0.469 1 513 651 139 ASP CB C 40.698 0.586 1 514 651 139 ASP N N 119.148 0.156 1 515 652 140 SER H H 7.624 0.007 1 516 652 140 SER CA C 57.234 0.469 1 517 652 140 SER CB C 65.043 0.586 1 518 652 140 SER N N 112.564 0.156 1 519 653 141 GLY H H 8.491 0.007 1 520 653 141 GLY CA C 44.72 0.469 1 521 653 141 GLY N N 110.164 0.156 1 522 654 142 SER H H 8.473 0.007 1 523 654 142 SER CA C 62.667 0.469 1 524 654 142 SER N N 115.564 0.156 1 525 655 143 THR H H 9.833 0.007 1 526 655 143 THR CA C 68.026 0.469 1 527 655 143 THR CB C 65.715 0.586 1 528 655 143 THR N N 126.786 0.156 1 529 656 144 LYS H H 9.022 0.007 1 530 656 144 LYS CA C 61.12 0.469 1 531 656 144 LYS CB C 32.057 0.586 1 532 656 144 LYS N N 123.761 0.156 1 533 657 145 GLU H H 7.648 0.007 1 534 657 145 GLU CA C 58.458 0.469 1 535 657 145 GLU CB C 29.901 0.586 1 536 657 145 GLU N N 114.06 0.156 1 537 658 146 PHE H H 7.888 0.007 1 538 658 146 PHE CA C 61.069 0.469 1 539 658 146 PHE CB C 38.615 0.586 1 540 658 146 PHE N N 120.048 0.156 1 541 659 147 PHE H H 7.356 0.007 1 542 659 147 PHE CA C 63.524 0.469 1 543 659 147 PHE CB C 40.29 0.586 1 544 659 147 PHE N N 116.39 0.156 1 545 660 148 ARG H H 7.489 0.007 1 546 660 148 ARG CA C 58.012 0.469 1 547 660 148 ARG CB C 30.145 0.586 1 548 660 148 ARG N N 118.208 0.156 1 549 661 149 ARG H H 7.104 0.007 1 550 661 149 ARG CA C 55.016 0.469 1 551 661 149 ARG CB C 30.663 0.586 1 552 661 149 ARG N N 111.637 0.156 1 553 662 150 SER H H 6.93 0.007 1 554 662 150 SER CA C 60.55 0.469 1 555 662 150 SER CB C 63.361 0.586 1 556 662 150 SER N N 114.409 0.156 1 557 663 151 LYS H H 8.85 0.007 1 558 663 151 LYS CA C 55.063 0.469 1 559 663 151 LYS CB C 32.123 0.586 1 560 663 151 LYS N N 125.176 0.156 1 561 664 152 ILE H H 8.131 0.007 1 562 664 152 ILE CA C 60.752 0.469 1 563 664 152 ILE CB C 37.397 0.586 1 564 664 152 ILE N N 124.69 0.156 1 565 665 153 ALA H H 8.709 0.007 1 566 665 153 ALA CA C 56.712 0.469 1 567 665 153 ALA CB C 18.1 0.586 1 568 665 153 ALA N N 131.835 0.156 1 569 666 154 VAL H H 8.099 0.007 1 570 666 154 VAL CA C 66.223 0.469 1 571 666 154 VAL CB C 31.291 0.586 1 572 666 154 VAL N N 116.349 0.156 1 573 667 155 PHE H H 6.267 0.007 1 574 667 155 PHE CA C 57.882 0.469 1 575 667 155 PHE CB C 35.813 0.586 1 576 667 155 PHE N N 119.909 0.156 1 577 668 156 ASP H H 8.83 0.007 1 578 668 156 ASP CA C 56.908 0.469 1 579 668 156 ASP CB C 40.948 0.586 1 580 668 156 ASP N N 121.797 0.156 1 581 669 157 LYS H H 8.515 0.007 1 582 669 157 LYS CA C 60.035 0.469 1 583 669 157 LYS CB C 32.154 0.586 1 584 669 157 LYS N N 122.618 0.156 1 585 670 158 MET H H 8.154 0.007 1 586 670 158 MET CA C 59.009 0.469 1 587 670 158 MET CB C 34.568 0.586 1 588 670 158 MET N N 118.911 0.156 1 589 671 159 TRP H H 9.288 0.007 1 590 671 159 TRP HE1 H 10.243 0.007 1 591 671 159 TRP CA C 59.809 0.469 1 592 671 159 TRP CB C 30.648 0.586 1 593 671 159 TRP N N 121.802 0.156 1 594 671 159 TRP NE1 N 127.861 0.156 1 595 672 160 THR H H 8.697 0.007 1 596 672 160 THR CA C 67.127 0.469 1 597 672 160 THR CB C 68.648 0.586 1 598 672 160 THR N N 113.964 0.156 1 599 673 161 TYR H H 7.753 0.007 1 600 673 161 TYR CA C 60.904 0.469 1 601 673 161 TYR CB C 37.491 0.586 1 602 673 161 TYR N N 121.623 0.156 1 603 674 162 MET H H 8.601 0.007 1 604 674 162 MET CA C 59.793 0.469 1 605 674 162 MET CB C 34.301 0.586 1 606 674 162 MET N N 119.997 0.156 1 607 675 163 ARG H H 8.266 0.007 1 608 675 163 ARG CA C 58.021 0.469 1 609 675 163 ARG CB C 28.619 0.586 1 610 675 163 ARG N N 113.636 0.156 1 611 676 164 SER H H 6.777 0.007 1 612 676 164 SER CA C 57.935 0.469 1 613 676 164 SER CB C 64.918 0.586 1 614 676 164 SER N N 111.434 0.156 1 615 677 165 ALA H H 6.88 0.007 1 616 677 165 ALA CA C 53.753 0.469 1 617 677 165 ALA CB C 18.736 0.586 1 618 677 165 ALA N N 126.472 0.156 1 619 678 166 GLU H H 8.114 0.007 1 620 678 166 GLU CA C 53.4 0.469 1 621 678 166 GLU CB C 32.197 0.586 1 622 678 166 GLU N N 121.53 0.156 1 623 679 167 PRO CA C 62.745 0.469 1 624 679 167 PRO CB C 34.576 0.586 1 625 680 168 SER H H 8.472 0.007 1 626 680 168 SER CA C 58.149 0.469 1 627 680 168 SER CB C 63.943 0.586 1 628 680 168 SER N N 111.786 0.156 1 629 681 169 VAL H H 8.057 0.007 1 630 681 169 VAL CA C 61.994 0.469 1 631 681 169 VAL CB C 31.727 0.586 1 632 681 169 VAL N N 120.184 0.156 1 633 682 170 PHE H H 7.911 0.007 1 634 682 170 PHE CA C 57.926 0.469 1 635 682 170 PHE CB C 40.504 0.586 1 636 682 170 PHE N N 121.208 0.156 1 637 683 171 VAL H H 8.047 0.007 1 638 683 171 VAL CA C 59.039 0.469 1 639 683 171 VAL CB C 35.222 0.586 1 640 683 171 VAL N N 111.734 0.156 1 641 684 172 ARG H H 8.862 0.007 1 642 684 172 ARG CA C 58.079 0.469 1 643 684 172 ARG CB C 32.05 0.586 1 644 684 172 ARG N N 118.356 0.156 1 645 685 173 THR H H 7.124 0.007 1 646 685 173 THR CA C 59.004 0.469 1 647 685 173 THR CB C 73.558 0.586 1 648 685 173 THR N N 105.705 0.156 1 649 686 174 THR H H 9.417 0.007 1 650 686 174 THR CA C 66.421 0.469 1 651 686 174 THR CB C 68.665 0.586 1 652 686 174 THR N N 120.784 0.156 1 653 687 175 ALA H H 8.623 0.007 1 654 687 175 ALA CA C 55.285 0.469 1 655 687 175 ALA CB C 18.07 0.586 1 656 687 175 ALA N N 121.424 0.156 1 657 688 176 GLU H H 8.116 0.007 1 658 688 176 GLU CA C 59.277 0.469 1 659 688 176 GLU CB C 30.501 0.586 1 660 688 176 GLU N N 119.954 0.156 1 661 689 177 GLY H H 7.874 0.007 1 662 689 177 GLY CA C 47.74 0.469 1 663 689 177 GLY N N 108.509 0.156 1 664 690 178 VAL H H 8.295 0.007 1 665 690 178 VAL CA C 66.336 0.469 1 666 690 178 VAL CB C 31.876 0.586 1 667 690 178 VAL N N 120.904 0.156 1 668 691 179 ALA H H 8.176 0.007 1 669 691 179 ALA CA C 54.99 0.469 1 670 691 179 ALA CB C 17.803 0.586 1 671 691 179 ALA N N 120.865 0.156 1 672 692 180 ARG H H 7.924 0.007 1 673 692 180 ARG CA C 59.925 0.469 1 674 692 180 ARG CB C 29.426 0.586 1 675 692 180 ARG N N 119.161 0.156 1 676 693 181 VAL H H 8.221 0.007 1 677 693 181 VAL CA C 66.86 0.469 1 678 693 181 VAL N N 122.149 0.156 1 679 694 182 ARG H H 8.336 0.007 1 680 694 182 ARG CA C 61 0.469 1 681 694 182 ARG CB C 30.308 0.586 1 682 694 182 ARG N N 117.709 0.156 1 683 695 183 LYS H H 8.619 0.007 1 684 695 183 LYS CA C 57.775 0.469 1 685 695 183 LYS CB C 32.822 0.586 1 686 695 183 LYS N N 118.047 0.156 1 687 696 184 SER H H 7.476 0.007 1 688 696 184 SER CA C 59.893 0.469 1 689 696 184 SER CB C 63.981 0.586 1 690 696 184 SER N N 112.1 0.156 1 691 697 185 LYS H H 8.616 0.007 1 692 697 185 LYS CA C 57.911 0.469 1 693 697 185 LYS CB C 29.965 0.586 1 694 697 185 LYS N N 119.014 0.156 1 695 698 186 GLY H H 8.263 0.007 1 696 698 186 GLY CA C 45.574 0.469 1 697 698 186 GLY N N 104.279 0.156 1 698 699 187 LYS H H 7.411 0.007 1 699 699 187 LYS CA C 55.634 0.469 1 700 699 187 LYS CB C 31.136 0.586 1 701 699 187 LYS N N 115.47 0.156 1 702 700 188 TYR H H 7.647 0.007 1 703 700 188 TYR CA C 57.724 0.469 1 704 700 188 TYR CB C 42.29 0.586 1 705 700 188 TYR N N 121.498 0.156 1 706 701 189 ALA H H 8.653 0.007 1 707 701 189 ALA CA C 50.126 0.469 1 708 701 189 ALA CB C 21.343 0.586 1 709 701 189 ALA N N 133.093 0.156 1 710 702 190 TYR H H 8.159 0.007 1 711 702 190 TYR CA C 53.153 0.469 1 712 702 190 TYR CB C 42.711 0.586 1 713 702 190 TYR N N 120.361 0.156 1 714 703 191 LEU H H 8.514 0.007 1 715 703 191 LEU CA C 53.531 0.469 1 716 703 191 LEU CB C 41.731 0.586 1 717 703 191 LEU N N 129.548 0.156 1 718 704 192 LEU H H 8.505 0.007 1 719 704 192 LEU CA C 54.238 0.469 1 720 704 192 LEU CB C 42.335 0.586 1 721 704 192 LEU N N 121.804 0.156 1 722 705 193 GLU H H 10.092 0.007 1 723 705 193 GLU CA C 58.93 0.469 1 724 705 193 GLU CB C 28.619 0.586 1 725 705 193 GLU N N 125.233 0.156 1 726 706 194 SER H H 9.568 0.007 1 727 706 194 SER CA C 62.62 0.469 1 728 706 194 SER CB C 61.832 0.586 1 729 706 194 SER N N 120.054 0.156 1 730 707 195 THR H H 7.443 0.007 1 731 707 195 THR CA C 63.01 0.469 1 732 707 195 THR CB C 67.036 0.586 1 733 707 195 THR N N 111.313 0.156 1 734 708 196 MET H H 7.376 0.007 1 735 708 196 MET CA C 59.618 0.469 1 736 708 196 MET CB C 32.703 0.586 1 737 708 196 MET N N 122.464 0.156 1 738 709 197 ASN H H 7.895 0.007 1 739 709 197 ASN CA C 55.934 0.469 1 740 709 197 ASN CB C 39.935 0.586 1 741 709 197 ASN N N 119.62 0.156 1 742 710 198 GLU H H 9.064 0.007 1 743 710 198 GLU CA C 58.877 0.469 1 744 710 198 GLU CB C 30.629 0.586 1 745 710 198 GLU N N 115.702 0.156 1 746 711 199 TYR H H 7.515 0.007 1 747 711 199 TYR CA C 61.8 0.469 1 748 711 199 TYR CB C 37.77 0.586 1 749 711 199 TYR N N 118.251 0.156 1 750 712 200 ILE H H 8.034 0.007 1 751 712 200 ILE CA C 62.402 0.469 1 752 712 200 ILE CB C 36.554 0.586 1 753 712 200 ILE N N 119.647 0.156 1 754 713 201 GLU H H 7.99 0.007 1 755 713 201 GLU CA C 58.398 0.469 1 756 713 201 GLU CB C 29.76 0.586 1 757 713 201 GLU N N 118.719 0.156 1 758 714 202 GLN H H 7.07 0.007 1 759 714 202 GLN CA C 54.136 0.469 1 760 714 202 GLN CB C 28.338 0.586 1 761 714 202 GLN N N 112.103 0.156 1 762 715 203 ARG H H 7.635 0.007 1 763 715 203 ARG CA C 53.121 0.469 1 764 715 203 ARG CB C 32.246 0.586 1 765 715 203 ARG N N 119.578 0.156 1 766 716 204 LYS H H 9.205 0.007 1 767 716 204 LYS CA C 56.319 0.469 1 768 716 204 LYS CB C 31.602 0.586 1 769 716 204 LYS N N 123.632 0.156 1 770 717 205 PRO CA C 63.577 0.469 1 771 717 205 PRO CB C 33.004 0.586 1 772 718 206 CYS H H 9.6 0.007 1 773 718 206 CYS CA C 56.177 0.469 1 774 718 206 CYS CB C 37.08 0.586 1 775 718 206 CYS N N 121.316 0.156 1 776 719 207 ASP H H 8.776 0.007 1 777 719 207 ASP CA C 53.249 0.469 1 778 719 207 ASP CB C 41.32 0.586 1 779 719 207 ASP N N 116.716 0.156 1 780 720 208 THR H H 7.824 0.007 1 781 720 208 THR CA C 60.124 0.469 1 782 720 208 THR CB C 72.287 0.586 1 783 720 208 THR N N 110.931 0.156 1 784 721 209 MET H H 8.901 0.007 1 785 721 209 MET CA C 54.779 0.469 1 786 721 209 MET CB C 36.955 0.586 1 787 721 209 MET N N 115.427 0.156 1 788 722 210 LYS H H 8.099 0.007 1 789 722 210 LYS CA C 54.857 0.469 1 790 722 210 LYS CB C 33.269 0.586 1 791 722 210 LYS N N 123.965 0.156 1 792 723 211 VAL H H 8.046 0.007 1 793 723 211 VAL CA C 60.154 0.469 1 794 723 211 VAL CB C 34.722 0.586 1 795 723 211 VAL N N 123.179 0.156 1 796 724 212 GLY H H 8.619 0.007 1 797 724 212 GLY CA C 45.232 0.469 1 798 724 212 GLY N N 112.879 0.156 1 799 725 213 GLY H H 8.136 0.007 1 800 725 213 GLY CA C 44.172 0.469 1 801 725 213 GLY N N 107.064 0.156 1 802 726 214 ASN H H 8.59 0.007 1 803 726 214 ASN CA C 52.154 0.469 1 804 726 214 ASN CB C 38.083 0.586 1 805 726 214 ASN N N 120.528 0.156 1 806 727 215 LEU H H 9.274 0.007 1 807 727 215 LEU CA C 56.919 0.469 1 808 727 215 LEU CB C 41.4 0.586 1 809 727 215 LEU N N 121.701 0.156 1 810 728 216 ASP H H 7.398 0.007 1 811 728 216 ASP CA C 52.086 0.469 1 812 728 216 ASP CB C 40.656 0.586 1 813 728 216 ASP N N 116.705 0.156 1 814 729 217 SER H H 7.757 0.007 1 815 729 217 SER CA C 57.511 0.469 1 816 729 217 SER CB C 64.111 0.586 1 817 729 217 SER N N 110.35 0.156 1 818 730 218 LYS H H 9.051 0.007 1 819 730 218 LYS CA C 55.271 0.469 1 820 730 218 LYS CB C 32.761 0.586 1 821 730 218 LYS N N 124.924 0.156 1 822 731 219 GLY H H 7.257 0.007 1 823 731 219 GLY CA C 45.386 0.469 1 824 731 219 GLY N N 105.57 0.156 1 825 732 220 TYR H H 7.243 0.007 1 826 732 220 TYR CA C 53.494 0.469 1 827 732 220 TYR CB C 40.281 0.586 1 828 732 220 TYR N N 116.979 0.156 1 829 733 221 GLY H H 7.367 0.007 1 830 733 221 GLY CA C 43.868 0.469 1 831 733 221 GLY N N 103.79 0.156 1 832 734 222 ILE H H 8.921 0.007 1 833 734 222 ILE CA C 61.968 0.469 1 834 734 222 ILE CB C 37.037 0.586 1 835 734 222 ILE N N 121.135 0.156 1 836 735 223 ALA H H 8.182 0.007 1 837 735 223 ALA CA C 49.98 0.469 1 838 735 223 ALA CB C 23.443 0.586 1 839 735 223 ALA N N 131.641 0.156 1 840 736 224 THR H H 8.709 0.007 1 841 736 224 THR CA C 57.609 0.469 1 842 736 224 THR CB C 68.964 0.586 1 843 736 224 THR N N 111.132 0.156 1 844 737 225 PRO CA C 61.892 0.469 1 845 737 225 PRO CB C 31.612 0.586 1 846 738 226 LYS H H 9.358 0.007 1 847 738 226 LYS CA C 57.392 0.469 1 848 738 226 LYS CB C 31.199 0.586 1 849 738 226 LYS N N 124.153 0.156 1 850 739 227 GLY H H 9.311 0.007 1 851 739 227 GLY CA C 45.128 0.469 1 852 739 227 GLY N N 111.385 0.156 1 853 740 228 SER H H 7.247 0.007 1 854 740 228 SER CA C 58.434 0.469 1 855 740 228 SER CB C 64.349 0.586 1 856 740 228 SER N N 111.953 0.156 1 857 741 229 SER H H 9.395 0.007 1 858 741 229 SER CA C 60.549 0.469 1 859 741 229 SER CB C 62.81 0.586 1 860 741 229 SER N N 126.659 0.156 1 861 742 230 LEU H H 8.712 0.007 1 862 742 230 LEU CA C 55.087 0.469 1 863 742 230 LEU CB C 42.737 0.586 1 864 742 230 LEU N N 120.634 0.156 1 865 743 231 ARG H H 6.908 0.007 1 866 743 231 ARG CA C 61.631 0.469 1 867 743 231 ARG CB C 30.749 0.586 1 868 743 231 ARG N N 119.829 0.156 1 869 744 232 THR H H 9.15 0.007 1 870 744 232 THR CA C 68.547 0.469 1 871 744 232 THR CB C 66.72 0.586 1 872 744 232 THR N N 116.137 0.156 1 873 745 233 PRO CA C 66.696 0.469 1 874 745 233 PRO CB C 31.124 0.586 1 875 746 234 VAL H H 8.186 0.007 1 876 746 234 VAL CA C 66.8 0.469 1 877 746 234 VAL CB C 31.175 0.586 1 878 746 234 VAL N N 115.864 0.156 1 879 747 235 ASN H H 7.84 0.007 1 880 747 235 ASN CA C 57.645 0.469 1 881 747 235 ASN CB C 39.15 0.586 1 882 747 235 ASN N N 120.081 0.156 1 883 748 236 LEU H H 8.369 0.007 1 884 748 236 LEU CA C 57.766 0.469 1 885 748 236 LEU CB C 41.216 0.586 1 886 748 236 LEU N N 116.79 0.156 1 887 749 237 ALA H H 8.057 0.007 1 888 749 237 ALA CA C 55.243 0.469 1 889 749 237 ALA CB C 19.043 0.586 1 890 749 237 ALA N N 121.437 0.156 1 891 750 238 VAL H H 8.264 0.007 1 892 750 238 VAL CA C 68.538 0.469 1 893 750 238 VAL CB C 31.394 0.586 1 894 750 238 VAL N N 118.652 0.156 1 895 751 239 LEU H H 8.083 0.007 1 896 751 239 LEU CA C 58.605 0.469 1 897 751 239 LEU CB C 41.582 0.586 1 898 751 239 LEU N N 119.57 0.156 1 899 752 240 LYS H H 8.098 0.007 1 900 752 240 LYS CA C 58.66 0.469 1 901 752 240 LYS CB C 31.279 0.586 1 902 752 240 LYS N N 120.57 0.156 1 903 753 241 LEU H H 8.601 0.007 1 904 753 241 LEU CA C 57.907 0.469 1 905 753 241 LEU CB C 41.684 0.586 1 906 753 241 LEU N N 118.246 0.156 1 907 754 242 SER H H 8.501 0.007 1 908 754 242 SER CA C 61 0.469 1 909 754 242 SER CB C 63.069 0.586 1 910 754 242 SER N N 114.172 0.156 1 911 755 243 GLU H H 8.373 0.007 1 912 755 243 GLU CA C 59.239 0.469 1 913 755 243 GLU CB C 29.489 0.586 1 914 755 243 GLU N N 122.886 0.156 1 915 756 244 GLN H H 8.24 0.007 1 916 756 244 GLN CA C 56.35 0.469 1 917 756 244 GLN CB C 29.751 0.586 1 918 756 244 GLN N N 114.517 0.156 1 919 757 245 GLY H H 7.828 0.007 1 920 757 245 GLY CA C 45.914 0.469 1 921 757 245 GLY N N 106.941 0.156 1 922 758 246 VAL H H 8.024 0.007 1 923 758 246 VAL CA C 65.765 0.469 1 924 758 246 VAL CB C 32.4 0.586 1 925 758 246 VAL N N 121.025 0.156 1 926 759 247 LEU H H 7.143 0.007 1 927 759 247 LEU CA C 58.386 0.469 1 928 759 247 LEU CB C 38.819 0.586 1 929 759 247 LEU N N 115.843 0.156 1 930 760 248 ASP H H 7.826 0.007 1 931 760 248 ASP CA C 57.599 0.469 1 932 760 248 ASP CB C 40.394 0.586 1 933 760 248 ASP N N 120.739 0.156 1 934 761 249 LYS H H 7.779 0.007 1 935 761 249 LYS CA C 60.02 0.469 1 936 761 249 LYS CB C 32.386 0.586 1 937 761 249 LYS N N 120.7 0.156 1 938 762 250 LEU H H 8.671 0.007 1 939 762 250 LEU CA C 58.096 0.469 1 940 762 250 LEU CB C 43.119 0.586 1 941 762 250 LEU N N 119.965 0.156 1 942 763 251 LYS H H 8.284 0.007 1 943 763 251 LYS CA C 59.735 0.469 1 944 763 251 LYS CB C 31.272 0.586 1 945 763 251 LYS N N 121.457 0.156 1 946 764 252 ASN H H 8.238 0.007 1 947 764 252 ASN CA C 57.762 0.469 1 948 764 252 ASN N N 117.88 0.156 1 949 765 253 LYS CA C 59.429 0.469 1 950 765 253 LYS CB C 33.429 0.586 1 951 766 254 TRP H H 7.639 0.007 1 952 766 254 TRP HE1 H 10.945 0.007 1 953 766 254 TRP CA C 59.361 0.469 1 954 766 254 TRP CB C 30.73 0.586 1 955 766 254 TRP N N 114.559 0.156 1 956 766 254 TRP NE1 N 130.412 0.156 1 957 767 255 TRP H H 9.215 0.007 1 958 767 255 TRP HE1 H 10.469 0.007 1 959 767 255 TRP CA C 62.074 0.469 1 960 767 255 TRP CB C 31.492 0.586 1 961 767 255 TRP N N 120.275 0.156 1 962 767 255 TRP NE1 N 127.408 0.156 1 963 768 256 TYR H H 7.362 0.007 1 964 768 256 TYR CA C 59.522 0.469 1 965 768 256 TYR CB C 39.966 0.586 1 966 768 256 TYR N N 114.843 0.156 1 967 769 257 ASP H H 9.158 0.007 1 968 769 257 ASP CA C 57.678 0.469 1 969 769 257 ASP CB C 40.008 0.586 1 970 769 257 ASP N N 124.108 0.156 1 971 770 258 LYS H H 7.635 0.007 1 972 770 258 LYS CA C 54.966 0.469 1 973 770 258 LYS CB C 31.779 0.586 1 974 770 258 LYS N N 116.321 0.156 1 975 771 259 GLY H H 7.654 0.007 1 976 771 259 GLY CA C 46.313 0.469 1 977 771 259 GLY N N 107.57 0.156 1 978 772 260 GLU H H 8.822 0.007 1 979 772 260 GLU CA C 56.001 0.469 1 980 772 260 GLU CB C 32.377 0.586 1 981 772 260 GLU N N 118.902 0.156 1 982 773 261 CYS H H 8.379 0.007 1 983 773 261 CYS CA C 53.936 0.469 1 984 773 261 CYS CB C 40.666 0.586 1 985 773 261 CYS N N 117.653 0.156 1 986 774 262 GLY H H 8.525 0.007 1 987 774 262 GLY CA C 45.388 0.469 1 988 774 262 GLY N N 111.334 0.156 1 989 775 263 ALA H H 7.976 0.007 1 990 775 263 ALA CA C 53.686 0.469 1 991 775 263 ALA CB C 20.064 0.586 1 992 775 263 ALA N N 129.175 0.156 1 stop_ save_