data_27840 ####################### # 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 glutamate ; _BMRB_accession_number 27840 _BMRB_flat_file_name bmr27840.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 glutamate' 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 Yuji . . 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" 250 "13C chemical shifts" 732 "15N chemical shifts" 250 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 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' 27843 'human flip variant form of GluR2-LBD complexed with kainate' 5182 'rat flop 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 Yuji . . 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 glutamate $entity_GLU 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_ ###################### # Polymer residues # ###################### save_chem_comp_GLU _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 'GLUTAMIC ACID' _BMRB_code GLU _PDB_code GLU _Standard_residue_derivative . _Molecular_mass 147.129 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE1 OE1 O . 0 . ? OE2 OE2 O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HE2 HE2 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 CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? DOUB CD OE1 ? ? SING CD OE2 ? ? SING OE2 HE2 ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_GLU _Saveframe_category ligand _Mol_type non-polymer _Name_common entity_GLU _Molecular_mass 147.129 _Details . _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 0.3 mM '[U-13C; U-15N]' $entity_GLU 2.9 mM 'natural abundance' 'acetic acid' 7.5 mM 'natural abundance' 'sodium acetate' 16.5 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_ ############################# # 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_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.041 . M pH 5.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 'methylene 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 . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' 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 C C 169.885 0.375 1 2 390 1 GLY CA C 43.316 0.469 1 3 391 2 ALA H H 8.615 0.007 1 4 391 2 ALA C C 177.513 0.375 1 5 391 2 ALA CA C 52.507 0.469 1 6 391 2 ALA CB C 19.352 0.586 1 7 391 2 ALA N N 123.425 0.156 1 8 392 3 ASN H H 8.592 0.007 1 9 392 3 ASN C C 174.840 0.375 1 10 392 3 ASN CA C 53.251 0.469 1 11 392 3 ASN CB C 38.782 0.586 1 12 392 3 ASN N N 118.578 0.156 1 13 393 4 LYS H H 8.231 0.007 1 14 393 4 LYS C C 176.414 0.375 1 15 393 4 LYS CA C 56.149 0.469 1 16 393 4 LYS CB C 33.457 0.586 1 17 393 4 LYS N N 121.739 0.156 1 18 394 5 THR H H 8.467 0.007 1 19 394 5 THR C C 173.737 0.375 1 20 394 5 THR CA C 63.315 0.469 1 21 394 5 THR CB C 68.913 0.586 1 22 394 5 THR N N 121.047 0.156 1 23 395 6 VAL H H 8.765 0.007 1 24 395 6 VAL C C 174.689 0.375 1 25 395 6 VAL CA C 62.824 0.469 1 26 395 6 VAL CB C 32.572 0.586 1 27 395 6 VAL N N 129.796 0.156 1 28 396 7 VAL H H 9.880 0.007 1 29 396 7 VAL C C 175.821 0.375 1 30 396 7 VAL CA C 63.738 0.469 1 31 396 7 VAL CB C 32.445 0.586 1 32 396 7 VAL N N 130.374 0.156 1 33 397 8 VAL H H 8.698 0.007 1 34 397 8 VAL C C 176.433 0.375 1 35 397 8 VAL CA C 59.581 0.469 1 36 397 8 VAL CB C 33.366 0.586 1 37 397 8 VAL N N 130.504 0.156 1 38 398 9 THR H H 9.003 0.007 1 39 398 9 THR C C 171.377 0.375 1 40 398 9 THR CA C 59.856 0.469 1 41 398 9 THR CB C 68.396 0.586 1 42 398 9 THR N N 124.087 0.156 1 43 399 10 THR H H 7.880 0.007 1 44 399 10 THR C C 169.862 0.375 1 45 399 10 THR CA C 61.281 0.469 1 46 399 10 THR CB C 68.775 0.586 1 47 399 10 THR N N 123.913 0.156 1 48 400 11 ILE H H 7.868 0.007 1 49 400 11 ILE C C 172.154 0.375 1 50 400 11 ILE CA C 58.906 0.469 1 51 400 11 ILE CB C 43.075 0.586 1 52 400 11 ILE N N 119.367 0.156 1 53 401 12 LEU H H 7.889 0.007 1 54 401 12 LEU C C 174.772 0.375 1 55 401 12 LEU CA C 55.034 0.469 1 56 401 12 LEU CB C 39.901 0.586 1 57 401 12 LEU N N 124.108 0.156 1 58 402 13 GLU H H 7.845 0.007 1 59 402 13 GLU C C 176.535 0.375 1 60 402 13 GLU CA C 54.866 0.469 1 61 402 13 GLU CB C 33.709 0.586 1 62 402 13 GLU N N 127.989 0.156 1 63 403 14 SER H H 9.622 0.007 1 64 403 14 SER CA C 58.773 0.469 1 65 403 14 SER CB C 62.737 0.586 1 66 403 14 SER N N 131.337 0.156 1 67 404 15 PRO C C 173.869 0.375 1 68 404 15 PRO CA C 63.708 0.469 1 69 404 15 PRO CB C 30.662 0.586 1 70 405 16 TYR H H 8.322 0.007 1 71 405 16 TYR C C 176.846 0.375 1 72 405 16 TYR CA C 62.405 0.469 1 73 405 16 TYR CB C 37.746 0.586 1 74 405 16 TYR N N 124.044 0.156 1 75 406 17 VAL H H 8.004 0.007 1 76 406 17 VAL C C 174.020 0.375 1 77 406 17 VAL CA C 64.065 0.469 1 78 406 17 VAL CB C 34.243 0.586 1 79 406 17 VAL N N 117.550 0.156 1 80 407 18 MET H H 9.400 0.007 1 81 407 18 MET C C 175.123 0.375 1 82 407 18 MET CA C 53.613 0.469 1 83 407 18 MET CB C 36.304 0.586 1 84 407 18 MET N N 125.419 0.156 1 85 408 19 MET H H 8.819 0.007 1 86 408 19 MET C C 177.719 0.375 1 87 408 19 MET CA C 54.752 0.469 1 88 408 19 MET CB C 31.294 0.586 1 89 408 19 MET N N 119.446 0.156 1 90 409 20 LYS H H 8.588 0.007 1 91 409 20 LYS C C 177.560 0.375 1 92 409 20 LYS CA C 57.393 0.469 1 93 409 20 LYS CB C 34.070 0.586 1 94 409 20 LYS N N 125.891 0.156 1 95 410 21 LYS H H 8.935 0.007 1 96 410 21 LYS C C 177.349 0.375 1 97 410 21 LYS CA C 58.588 0.469 1 98 410 21 LYS CB C 31.992 0.586 1 99 410 21 LYS N N 123.329 0.156 1 100 411 22 ASN H H 8.797 0.007 1 101 411 22 ASN C C 176.179 0.375 1 102 411 22 ASN CA C 53.267 0.469 1 103 411 22 ASN CB C 36.802 0.586 1 104 411 22 ASN N N 116.294 0.156 1 105 412 23 HIS H H 7.695 0.007 1 106 412 23 HIS C C 175.327 0.375 1 107 412 23 HIS CA C 58.677 0.469 1 108 412 23 HIS CB C 28.677 0.586 1 109 412 23 HIS N N 114.680 0.156 1 110 413 24 GLU H H 8.789 0.007 1 111 413 24 GLU C C 177.154 0.375 1 112 413 24 GLU CA C 58.979 0.469 1 113 413 24 GLU CB C 28.578 0.586 1 114 413 24 GLU N N 120.327 0.156 1 115 414 25 MET H H 7.904 0.007 1 116 414 25 MET C C 175.402 0.375 1 117 414 25 MET CA C 54.868 0.469 1 118 414 25 MET CB C 32.176 0.586 1 119 414 25 MET N N 115.904 0.156 1 120 415 26 LEU H H 7.499 0.007 1 121 415 26 LEU C C 174.943 0.375 1 122 415 26 LEU CA C 53.404 0.469 1 123 415 26 LEU CB C 44.287 0.586 1 124 415 26 LEU N N 121.404 0.156 1 125 416 27 GLU H H 8.394 0.007 1 126 416 27 GLU C C 176.932 0.375 1 127 416 27 GLU CA C 54.357 0.469 1 128 416 27 GLU CB C 33.125 0.586 1 129 416 27 GLU N N 117.564 0.156 1 130 417 28 GLY H H 8.898 0.007 1 131 417 28 GLY C C 177.205 0.375 1 132 417 28 GLY CA C 46.453 0.469 1 133 417 28 GLY N N 108.955 0.156 1 134 418 29 ASN H H 9.585 0.007 1 135 418 29 ASN C C 176.239 0.375 1 136 418 29 ASN CA C 55.497 0.469 1 137 418 29 ASN CB C 37.191 0.586 1 138 418 29 ASN N N 124.798 0.156 1 139 419 30 GLU H H 7.875 0.007 1 140 419 30 GLU C C 176.069 0.375 1 141 419 30 GLU CA C 57.439 0.469 1 142 419 30 GLU CB C 29.455 0.586 1 143 419 30 GLU N N 115.740 0.156 1 144 420 31 ARG H H 6.923 0.007 1 145 420 31 ARG C C 174.339 0.375 1 146 420 31 ARG CA C 58.647 0.469 1 147 420 31 ARG CB C 31.302 0.586 1 148 420 31 ARG N N 113.992 0.156 1 149 421 32 TYR H H 6.926 0.007 1 150 421 32 TYR C C 173.882 0.375 1 151 421 32 TYR CA C 55.701 0.469 1 152 421 32 TYR CB C 42.944 0.586 1 153 421 32 TYR N N 113.522 0.156 1 154 422 33 GLU H H 9.243 0.007 1 155 422 33 GLU C C 172.848 0.375 1 156 422 33 GLU CA C 53.789 0.469 1 157 422 33 GLU N N 115.494 0.156 1 158 423 34 GLY H H 8.314 0.007 1 159 423 34 GLY C C 174.336 0.375 1 160 423 34 GLY CA C 42.393 0.469 1 161 423 34 GLY N N 108.556 0.156 1 162 424 35 TYR H H 7.428 0.007 1 163 424 35 TYR C C 178.378 0.375 1 164 424 35 TYR CA C 63.018 0.469 1 165 424 35 TYR CB C 40.209 0.586 1 166 424 35 TYR N N 118.561 0.156 1 167 425 36 CYS H H 10.291 0.007 1 168 425 36 CYS C C 175.465 0.375 1 169 425 36 CYS CA C 64.328 0.469 1 170 425 36 CYS CB C 27.300 0.586 1 171 425 36 CYS N N 113.804 0.156 1 172 426 37 VAL H H 6.706 0.007 1 173 426 37 VAL C C 178.591 0.375 1 174 426 37 VAL CA C 66.634 0.469 1 175 426 37 VAL CB C 31.062 0.586 1 176 426 37 VAL N N 123.497 0.156 1 177 427 38 ASP H H 8.134 0.007 1 178 427 38 ASP C C 179.160 0.375 1 179 427 38 ASP CA C 57.258 0.469 1 180 427 38 ASP CB C 41.073 0.586 1 181 427 38 ASP N N 122.456 0.156 1 182 428 39 LEU H H 8.453 0.007 1 183 428 39 LEU C C 177.807 0.375 1 184 428 39 LEU CA C 57.783 0.469 1 185 428 39 LEU CB C 42.204 0.586 1 186 428 39 LEU N N 120.073 0.156 1 187 429 40 ALA H H 8.031 0.007 1 188 429 40 ALA C C 177.720 0.375 1 189 429 40 ALA CA C 55.643 0.469 1 190 429 40 ALA CB C 17.439 0.586 1 191 429 40 ALA N N 120.010 0.156 1 192 430 41 ALA H H 7.244 0.007 1 193 430 41 ALA C C 181.439 0.375 1 194 430 41 ALA CA C 55.401 0.469 1 195 430 41 ALA CB C 17.832 0.586 1 196 430 41 ALA N N 118.033 0.156 1 197 431 42 GLU H H 7.763 0.007 1 198 431 42 GLU C C 180.088 0.375 1 199 431 42 GLU CA C 58.706 0.469 1 200 431 42 GLU CB C 30.026 0.586 1 201 431 42 GLU N N 117.548 0.156 1 202 432 43 ILE H H 8.672 0.007 1 203 432 43 ILE C C 177.706 0.375 1 204 432 43 ILE CA C 64.300 0.469 1 205 432 43 ILE CB C 36.570 0.586 1 206 432 43 ILE N N 121.031 0.156 1 207 433 44 ALA H H 8.303 0.007 1 208 433 44 ALA C C 180.071 0.375 1 209 433 44 ALA CA C 55.463 0.469 1 210 433 44 ALA CB C 20.058 0.586 1 211 433 44 ALA N N 122.770 0.156 1 212 434 45 LYS H H 7.630 0.007 1 213 434 45 LYS C C 179.099 0.375 1 214 434 45 LYS CA C 59.038 0.469 1 215 434 45 LYS CB C 32.276 0.586 1 216 434 45 LYS N N 117.419 0.156 1 217 435 46 HIS H H 7.645 0.007 1 218 435 46 HIS C C 176.986 0.375 1 219 435 46 HIS CA C 59.562 0.469 1 220 435 46 HIS CB C 30.476 0.586 1 221 435 46 HIS N N 116.431 0.156 1 222 436 47 CYS H H 8.092 0.007 1 223 436 47 CYS C C 175.152 0.375 1 224 436 47 CYS CA C 60.643 0.469 1 225 436 47 CYS CB C 29.773 0.586 1 226 436 47 CYS N N 113.838 0.156 1 227 437 48 GLY H H 8.000 0.007 1 228 437 48 GLY C C 173.956 0.375 1 229 437 48 GLY CA C 46.760 0.469 1 230 437 48 GLY N N 109.138 0.156 1 231 438 49 PHE H H 7.113 0.007 1 232 438 49 PHE C C 174.687 0.375 1 233 438 49 PHE CA C 54.401 0.469 1 234 438 49 PHE CB C 41.170 0.586 1 235 438 49 PHE N N 113.638 0.156 1 236 439 50 LYS H H 8.887 0.007 1 237 439 50 LYS C C 176.468 0.375 1 238 439 50 LYS CA C 55.194 0.469 1 239 439 50 LYS CB C 33.972 0.586 1 240 439 50 LYS N N 121.171 0.156 1 241 440 51 TYR H H 8.467 0.007 1 242 440 51 TYR C C 173.919 0.375 1 243 440 51 TYR CA C 55.707 0.469 1 244 440 51 TYR CB C 42.431 0.586 1 245 440 51 TYR N N 116.788 0.156 1 246 441 52 LYS H H 8.920 0.007 1 247 441 52 LYS C C 175.462 0.375 1 248 441 52 LYS CA C 54.395 0.469 1 249 441 52 LYS CB C 35.855 0.586 1 250 441 52 LYS N N 122.124 0.156 1 251 442 53 LEU H H 8.845 0.007 1 252 442 53 LEU C C 176.156 0.375 1 253 442 53 LEU CA C 55.399 0.469 1 254 442 53 LEU CB C 42.699 0.586 1 255 442 53 LEU N N 125.007 0.156 1 256 443 54 THR H H 8.715 0.007 1 257 443 54 THR C C 170.979 0.375 1 258 443 54 THR CA C 60.101 0.469 1 259 443 54 THR CB C 71.292 0.586 1 260 443 54 THR N N 119.154 0.156 1 261 444 55 ILE H H 8.174 0.007 1 262 444 55 ILE C C 176.634 0.375 1 263 444 55 ILE CA C 57.501 0.469 1 264 444 55 ILE CB C 35.087 0.586 1 265 444 55 ILE N N 122.626 0.156 1 266 445 56 VAL H H 8.839 0.007 1 267 445 56 VAL C C 177.359 0.375 1 268 445 56 VAL CA C 61.253 0.469 1 269 445 56 VAL CB C 31.025 0.586 1 270 445 56 VAL N N 130.412 0.156 1 271 446 57 GLY H H 9.008 0.007 1 272 446 57 GLY C C 175.481 0.375 1 273 446 57 GLY CA C 48.325 0.469 1 274 446 57 GLY N N 118.481 0.156 1 275 447 58 ASP H H 7.919 0.007 1 276 447 58 ASP C C 178.278 0.375 1 277 447 58 ASP CA C 52.589 0.469 1 278 447 58 ASP CB C 40.595 0.586 1 279 447 58 ASP N N 116.595 0.156 1 280 448 59 GLY H H 7.442 0.007 1 281 448 59 GLY C C 173.850 0.375 1 282 448 59 GLY CA C 46.552 0.469 1 283 448 59 GLY N N 105.487 0.156 1 284 449 60 LYS H H 7.877 0.007 1 285 449 60 LYS C C 175.435 0.375 1 286 449 60 LYS CA C 55.189 0.469 1 287 449 60 LYS CB C 35.734 0.586 1 288 449 60 LYS N N 119.557 0.156 1 289 450 61 TYR H H 8.453 0.007 1 290 450 61 TYR C C 177.786 0.375 1 291 450 61 TYR CA C 62.385 0.469 1 292 450 61 TYR CB C 38.995 0.586 1 293 450 61 TYR N N 119.051 0.156 1 294 451 62 GLY H H 7.950 0.007 1 295 451 62 GLY C C 172.802 0.375 1 296 451 62 GLY CA C 47.130 0.469 1 297 451 62 GLY N N 102.310 0.156 1 298 452 63 ALA H H 9.108 0.007 1 299 452 63 ALA C C 174.146 0.375 1 300 452 63 ALA CA C 51.293 0.469 1 301 452 63 ALA CB C 22.555 0.586 1 302 452 63 ALA N N 133.070 0.156 1 303 453 64 ARG H H 7.726 0.007 1 304 453 64 ARG C C 175.857 0.375 1 305 453 64 ARG CA C 54.094 0.469 1 306 453 64 ARG CB C 30.197 0.586 1 307 453 64 ARG N N 122.189 0.156 1 308 454 65 ASP H H 7.857 0.007 1 309 454 65 ASP C C 177.386 0.375 1 310 454 65 ASP CA C 55.151 0.469 1 311 454 65 ASP CB C 42.994 0.586 1 312 454 65 ASP N N 129.780 0.156 1 313 455 66 ALA H H 8.741 0.007 1 314 455 66 ALA C C 178.112 0.375 1 315 455 66 ALA CA C 54.854 0.469 1 316 455 66 ALA CB C 18.966 0.586 1 317 455 66 ALA N N 129.022 0.156 1 318 456 67 ASP H H 8.446 0.007 1 319 456 67 ASP C C 177.810 0.375 1 320 456 67 ASP CA C 56.240 0.469 1 321 456 67 ASP CB C 41.516 0.586 1 322 456 67 ASP N N 115.552 0.156 1 323 457 68 THR H H 8.621 0.007 1 324 457 68 THR C C 175.866 0.375 1 325 457 68 THR CA C 62.286 0.469 1 326 457 68 THR CB C 70.307 0.586 1 327 457 68 THR N N 109.711 0.156 1 328 458 69 LYS H H 7.850 0.007 1 329 458 69 LYS C C 174.751 0.375 1 330 458 69 LYS CA C 57.604 0.469 1 331 458 69 LYS CB C 29.085 0.586 1 332 458 69 LYS N N 114.147 0.156 1 333 459 70 ILE H H 7.378 0.007 1 334 459 70 ILE C C 177.921 0.375 1 335 459 70 ILE CA C 60.259 0.469 1 336 459 70 ILE CB C 39.011 0.586 1 337 459 70 ILE N N 119.341 0.156 1 338 460 71 TRP H H 8.675 0.007 1 339 460 71 TRP HE1 H 10.058 0.007 1 340 460 71 TRP C C 175.490 0.375 1 341 460 71 TRP CA C 58.075 0.469 1 342 460 71 TRP CB C 30.554 0.586 1 343 460 71 TRP N N 129.258 0.156 1 344 460 71 TRP NE1 N 129.727 0.156 1 345 461 72 ASN H H 8.225 0.007 1 346 461 72 ASN C C 176.550 0.375 1 347 461 72 ASN CA C 50.094 0.469 1 348 461 72 ASN CB C 39.670 0.586 1 349 461 72 ASN N N 120.394 0.156 1 350 462 73 GLY H H 10.075 0.007 1 351 462 73 GLY C C 176.655 0.375 1 352 462 73 GLY CA C 46.583 0.469 1 353 462 73 GLY N N 106.581 0.156 1 354 463 74 MET H H 7.708 0.007 1 355 463 74 MET C C 177.969 0.375 1 356 463 74 MET CA C 59.437 0.469 1 357 463 74 MET CB C 35.034 0.586 1 358 463 74 MET N N 123.632 0.156 1 359 464 75 VAL H H 7.497 0.007 1 360 464 75 VAL C C 177.145 0.375 1 361 464 75 VAL CA C 67.507 0.469 1 362 464 75 VAL CB C 31.722 0.586 1 363 464 75 VAL N N 114.286 0.156 1 364 465 76 GLY H H 7.843 0.007 1 365 465 76 GLY C C 174.272 0.375 1 366 465 76 GLY CA C 47.279 0.469 1 367 465 76 GLY N N 106.291 0.156 1 368 466 77 GLU H H 7.658 0.007 1 369 466 77 GLU C C 178.737 0.375 1 370 466 77 GLU CA C 60.787 0.469 1 371 466 77 GLU CB C 28.695 0.586 1 372 466 77 GLU N N 118.604 0.156 1 373 467 78 LEU H H 7.309 0.007 1 374 467 78 LEU C C 179.169 0.375 1 375 467 78 LEU CA C 56.961 0.469 1 376 467 78 LEU CB C 42.666 0.586 1 377 467 78 LEU N N 116.245 0.156 1 378 468 79 VAL H H 8.202 0.007 1 379 468 79 VAL C C 178.534 0.375 1 380 468 79 VAL CA C 65.761 0.469 1 381 468 79 VAL CB C 31.778 0.586 1 382 468 79 VAL N N 119.400 0.156 1 383 469 80 TYR H H 8.203 0.007 1 384 469 80 TYR C C 177.022 0.375 1 385 469 80 TYR CA C 56.741 0.469 1 386 469 80 TYR CB C 36.546 0.586 1 387 469 80 TYR N N 114.695 0.156 1 388 470 81 GLY H H 7.222 0.007 1 389 470 81 GLY C C 175.174 0.375 1 390 470 81 GLY CA C 47.285 0.469 1 391 470 81 GLY N N 106.453 0.156 1 392 471 82 LYS H H 8.631 0.007 1 393 471 82 LYS C C 175.641 0.375 1 394 471 82 LYS CA C 56.266 0.469 1 395 471 82 LYS CB C 32.890 0.586 1 396 471 82 LYS N N 118.327 0.156 1 397 472 83 ALA H H 7.459 0.007 1 398 472 83 ALA C C 174.540 0.375 1 399 472 83 ALA CA C 50.601 0.469 1 400 472 83 ALA CB C 22.255 0.586 1 401 472 83 ALA N N 119.129 0.156 1 402 473 84 ASP H H 8.724 0.007 1 403 473 84 ASP C C 175.128 0.375 1 404 473 84 ASP CA C 56.208 0.469 1 405 473 84 ASP CB C 44.022 0.586 1 406 473 84 ASP N N 117.585 0.156 1 407 474 85 ILE H H 7.627 0.007 1 408 474 85 ILE C C 171.977 0.375 1 409 474 85 ILE CA C 59.620 0.469 1 410 474 85 ILE CB C 40.289 0.586 1 411 474 85 ILE N N 114.302 0.156 1 412 475 86 ALA H H 9.257 0.007 1 413 475 86 ALA C C 177.596 0.375 1 414 475 86 ALA CA C 50.438 0.469 1 415 475 86 ALA CB C 21.794 0.586 1 416 475 86 ALA N N 128.239 0.156 1 417 476 87 ILE H H 7.337 0.007 1 418 476 87 ILE C C 172.192 0.375 1 419 476 87 ILE CA C 61.965 0.469 1 420 476 87 ILE CB C 37.250 0.586 1 421 476 87 ILE N N 122.913 0.156 1 422 477 88 ALA H H 9.229 0.007 1 423 477 88 ALA CA C 51.111 0.469 1 424 477 88 ALA CB C 21.905 0.586 1 425 477 88 ALA N N 130.666 0.156 1 426 478 89 PRO C C 171.383 0.375 1 427 478 89 PRO CA C 60.368 0.469 1 428 478 89 PRO CB C 26.319 0.586 1 429 479 90 LEU H H 7.833 0.007 1 430 479 90 LEU C C 174.618 0.375 1 431 479 90 LEU CA C 53.140 0.469 1 432 479 90 LEU CB C 44.967 0.586 1 433 479 90 LEU N N 125.850 0.156 1 434 480 91 THR H H 9.237 0.007 1 435 480 91 THR C C 173.529 0.375 1 436 480 91 THR CA C 63.710 0.469 1 437 480 91 THR CB C 68.738 0.586 1 438 480 91 THR N N 124.414 0.156 1 439 481 92 ILE H H 8.167 0.007 1 440 481 92 ILE C C 175.668 0.375 1 441 481 92 ILE CA C 62.548 0.469 1 442 481 92 ILE CB C 37.358 0.586 1 443 481 92 ILE N N 127.566 0.156 1 444 482 93 THR H H 6.346 0.007 1 445 482 93 THR C C 173.895 0.375 1 446 482 93 THR CA C 58.082 0.469 1 447 482 93 THR CB C 71.856 0.586 1 448 482 93 THR N N 116.905 0.156 1 449 483 94 LEU H H 8.540 0.007 1 450 483 94 LEU C C 180.189 0.375 1 451 483 94 LEU CA C 58.204 0.469 1 452 483 94 LEU CB C 41.865 0.586 1 453 483 94 LEU N N 124.137 0.156 1 454 484 95 VAL H H 8.035 0.007 1 455 484 95 VAL C C 179.173 0.375 1 456 484 95 VAL CA C 65.523 0.469 1 457 484 95 VAL CB C 31.636 0.586 1 458 484 95 VAL N N 116.321 0.156 1 459 485 96 ARG H H 7.470 0.007 1 460 485 96 ARG C C 177.986 0.375 1 461 485 96 ARG CA C 59.319 0.469 1 462 485 96 ARG CB C 31.406 0.586 1 463 485 96 ARG N N 118.338 0.156 1 464 486 97 GLU H H 8.281 0.007 1 465 486 97 GLU C C 176.931 0.375 1 466 486 97 GLU CA C 58.080 0.469 1 467 486 97 GLU CB C 29.502 0.586 1 468 486 97 GLU N N 118.876 0.156 1 469 487 98 GLU H H 7.230 0.007 1 470 487 98 GLU C C 178.279 0.375 1 471 487 98 GLU CA C 58.966 0.469 1 472 487 98 GLU CB C 30.591 0.586 1 473 487 98 GLU N N 115.838 0.156 1 474 488 99 VAL H H 7.627 0.007 1 475 488 99 VAL C C 174.201 0.375 1 476 488 99 VAL CA C 61.486 0.469 1 477 488 99 VAL CB C 34.081 0.586 1 478 488 99 VAL N N 106.631 0.156 1 479 489 100 ILE H H 8.085 0.007 1 480 489 100 ILE C C 172.080 0.375 1 481 489 100 ILE CA C 60.141 0.469 1 482 489 100 ILE CB C 41.517 0.586 1 483 489 100 ILE N N 117.701 0.156 1 484 490 101 ASP H H 8.314 0.007 1 485 490 101 ASP C C 175.068 0.375 1 486 490 101 ASP CA C 52.659 0.469 1 487 490 101 ASP CB C 43.344 0.586 1 488 490 101 ASP N N 115.141 0.156 1 489 491 102 PHE H H 9.011 0.007 1 490 491 102 PHE C C 177.103 0.375 1 491 491 102 PHE CA C 56.534 0.469 1 492 491 102 PHE CB C 43.730 0.586 1 493 491 102 PHE N N 115.915 0.156 1 494 492 103 SER H H 8.822 0.007 1 495 492 103 SER C C 174.744 0.375 1 496 492 103 SER CA C 58.405 0.469 1 497 492 103 SER CB C 67.685 0.586 1 498 492 103 SER N N 116.246 0.156 1 499 493 104 LYS H H 8.509 0.007 1 500 493 104 LYS CA C 54.942 0.469 1 501 493 104 LYS CB C 31.678 0.586 1 502 493 104 LYS N N 119.126 0.156 1 503 494 105 PRO C C 177.770 0.375 1 504 494 105 PRO CA C 62.624 0.469 1 505 494 105 PRO CB C 32.204 0.586 1 506 495 106 PHE H H 8.332 0.007 1 507 495 106 PHE C C 173.909 0.375 1 508 495 106 PHE CA C 55.200 0.469 1 509 495 106 PHE CB C 39.929 0.586 1 510 495 106 PHE N N 115.004 0.156 1 511 496 107 MET H H 6.864 0.007 1 512 496 107 MET C C 173.034 0.375 1 513 496 107 MET CA C 56.316 0.469 1 514 496 107 MET CB C 36.631 0.586 1 515 496 107 MET N N 119.651 0.156 1 516 497 108 SER H H 8.161 0.007 1 517 497 108 SER C C 172.547 0.375 1 518 497 108 SER CA C 57.440 0.469 1 519 497 108 SER CB C 64.711 0.586 1 520 497 108 SER N N 119.397 0.156 1 521 498 109 LEU H H 8.137 0.007 1 522 498 109 LEU C C 174.170 0.375 1 523 498 109 LEU CA C 55.044 0.469 1 524 498 109 LEU CB C 41.709 0.586 1 525 498 109 LEU N N 119.023 0.156 1 526 499 110 GLY H H 7.950 0.007 1 527 499 110 GLY C C 172.845 0.375 1 528 499 110 GLY CA C 45.239 0.469 1 529 499 110 GLY N N 104.677 0.156 1 530 500 111 ILE H H 9.316 0.007 1 531 500 111 ILE C C 173.246 0.375 1 532 500 111 ILE CA C 64.790 0.469 1 533 500 111 ILE CB C 37.906 0.586 1 534 500 111 ILE N N 124.022 0.156 1 535 501 112 SER H H 8.933 0.007 1 536 501 112 SER C C 170.802 0.375 1 537 501 112 SER CA C 56.862 0.469 1 538 501 112 SER CB C 68.769 0.586 1 539 501 112 SER N N 121.737 0.156 1 540 502 113 ILE H H 8.373 0.007 1 541 502 113 ILE C C 175.258 0.375 1 542 502 113 ILE CA C 61.191 0.469 1 543 502 113 ILE CB C 39.631 0.586 1 544 502 113 ILE N N 118.008 0.156 1 545 503 114 MET H H 9.520 0.007 1 546 503 114 MET C C 174.693 0.375 1 547 503 114 MET CA C 54.525 0.469 1 548 503 114 MET CB C 37.697 0.586 1 549 503 114 MET N N 130.220 0.156 1 550 504 115 ILE H H 8.455 0.007 1 551 504 115 ILE C C 175.873 0.375 1 552 504 115 ILE CA C 58.362 0.469 1 553 504 115 ILE N N 116.751 0.156 1 554 505 116 LYS H H 8.756 0.007 1 555 505 116 LYS C C 177.829 0.375 1 556 505 116 LYS CA C 55.545 0.469 1 557 505 116 LYS CB C 32.323 0.586 1 558 505 116 LYS N N 122.417 0.156 1 559 506 117 LYS H H 8.697 0.007 1 560 506 117 LYS C C 176.871 0.375 1 561 506 117 LYS CA C 60.219 0.469 1 562 506 117 LYS CB C 32.272 0.586 1 563 506 117 LYS N N 130.127 0.156 1 564 507 118 GLY H H 8.790 0.007 1 565 507 118 GLY CA C 44.676 0.469 1 566 507 118 GLY N N 112.751 0.156 1 567 635 123 SER C C 174.027 0.375 1 568 635 123 SER CA C 56.701 0.469 1 569 635 123 SER CB C 66.752 0.586 1 570 636 124 ALA H H 9.325 0.007 1 571 636 124 ALA C C 178.399 0.375 1 572 636 124 ALA CA C 55.246 0.469 1 573 636 124 ALA CB C 17.458 0.586 1 574 636 124 ALA N N 123.228 0.156 1 575 637 125 GLU H H 8.625 0.007 1 576 637 125 GLU C C 179.780 0.375 1 577 637 125 GLU CA C 60.134 0.469 1 578 637 125 GLU CB C 28.468 0.586 1 579 637 125 GLU N N 117.721 0.156 1 580 638 126 ASP H H 7.980 0.007 1 581 638 126 ASP CA C 57.451 0.469 1 582 638 126 ASP CB C 41.013 0.586 1 583 638 126 ASP N N 119.437 0.156 1 584 639 127 LEU C C 178.918 0.375 1 585 639 127 LEU CA C 57.660 0.469 1 586 639 127 LEU CB C 40.594 0.586 1 587 640 128 SER H H 8.044 0.007 1 588 640 128 SER C C 174.777 0.375 1 589 640 128 SER CA C 61.099 0.469 1 590 640 128 SER CB C 64.086 0.586 1 591 640 128 SER N N 111.489 0.156 1 592 641 129 LYS H H 7.077 0.007 1 593 641 129 LYS C C 174.616 0.375 1 594 641 129 LYS CA C 56.571 0.469 1 595 641 129 LYS CB C 33.457 0.586 1 596 641 129 LYS N N 120.010 0.156 1 597 642 130 GLN H H 7.738 0.007 1 598 642 130 GLN C C 174.094 0.375 1 599 642 130 GLN CA C 53.461 0.469 1 600 642 130 GLN CB C 31.225 0.586 1 601 642 130 GLN N N 116.086 0.156 1 602 643 131 THR H H 8.606 0.007 1 603 643 131 THR C C 174.323 0.375 1 604 643 131 THR CA C 61.134 0.469 1 605 643 131 THR CB C 70.595 0.586 1 606 643 131 THR N N 106.379 0.156 1 607 644 132 GLU H H 7.415 0.007 1 608 644 132 GLU C C 176.467 0.375 1 609 644 132 GLU CA C 59.245 0.469 1 610 644 132 GLU CB C 30.581 0.586 1 611 644 132 GLU N N 124.764 0.156 1 612 645 133 ILE H H 9.787 0.007 1 613 645 133 ILE C C 176.065 0.375 1 614 645 133 ILE CA C 60.941 0.469 1 615 645 133 ILE CB C 38.248 0.586 1 616 645 133 ILE N N 121.947 0.156 1 617 646 134 ALA H H 7.945 0.007 1 618 646 134 ALA C C 175.206 0.375 1 619 646 134 ALA CA C 51.420 0.469 1 620 646 134 ALA CB C 21.113 0.586 1 621 646 134 ALA N N 130.024 0.156 1 622 647 135 TYR H H 6.412 0.007 1 623 647 135 TYR C C 172.853 0.375 1 624 647 135 TYR CA C 54.435 0.469 1 625 647 135 TYR CB C 39.300 0.586 1 626 647 135 TYR N N 111.538 0.156 1 627 648 136 GLY H H 6.730 0.007 1 628 648 136 GLY C C 171.099 0.375 1 629 648 136 GLY CA C 44.963 0.469 1 630 648 136 GLY N N 100.599 0.156 1 631 649 137 THR H H 6.393 0.007 1 632 649 137 THR C C 173.816 0.375 1 633 649 137 THR CA C 60.313 0.469 1 634 649 137 THR CB C 72.633 0.586 1 635 649 137 THR N N 104.570 0.156 1 636 650 138 LEU H H 9.669 0.007 1 637 650 138 LEU C C 180.174 0.375 1 638 650 138 LEU CA C 55.963 0.469 1 639 650 138 LEU CB C 42.403 0.586 1 640 650 138 LEU N N 124.724 0.156 1 641 651 139 ASP H H 9.554 0.007 1 642 651 139 ASP C C 177.296 0.375 1 643 651 139 ASP CA C 55.404 0.469 1 644 651 139 ASP CB C 41.647 0.586 1 645 651 139 ASP N N 127.846 0.156 1 646 652 140 SER H H 7.854 0.007 1 647 652 140 SER C C 172.194 0.375 1 648 652 140 SER CA C 59.238 0.469 1 649 652 140 SER CB C 61.481 0.586 1 650 652 140 SER N N 111.150 0.156 1 651 653 141 GLY H H 6.920 0.007 1 652 653 141 GLY C C 174.997 0.375 1 653 653 141 GLY CA C 44.334 0.469 1 654 653 141 GLY N N 103.987 0.156 1 655 654 142 SER H H 9.437 0.007 1 656 654 142 SER C C 178.515 0.375 1 657 654 142 SER CA C 61.235 0.469 1 658 654 142 SER CB C 64.046 0.586 1 659 654 142 SER N N 116.207 0.156 1 660 655 143 THR H H 9.087 0.007 1 661 655 143 THR C C 175.894 0.375 1 662 655 143 THR CA C 68.173 0.469 1 663 655 143 THR CB C 65.790 0.586 1 664 655 143 THR N N 128.879 0.156 1 665 656 144 LYS H H 9.679 0.007 1 666 656 144 LYS C C 178.351 0.375 1 667 656 144 LYS CA C 61.355 0.469 1 668 656 144 LYS CB C 32.846 0.586 1 669 656 144 LYS N N 124.477 0.156 1 670 657 145 GLU H H 7.045 0.007 1 671 657 145 GLU C C 177.807 0.375 1 672 657 145 GLU CA C 58.227 0.469 1 673 657 145 GLU CB C 29.916 0.586 1 674 657 145 GLU N N 113.813 0.156 1 675 658 146 PHE H H 8.006 0.007 1 676 658 146 PHE C C 177.882 0.375 1 677 658 146 PHE CA C 61.042 0.469 1 678 658 146 PHE CB C 38.535 0.586 1 679 658 146 PHE N N 120.059 0.156 1 680 659 147 PHE H H 7.367 0.007 1 681 659 147 PHE C C 175.641 0.375 1 682 659 147 PHE CA C 63.632 0.469 1 683 659 147 PHE CB C 40.309 0.586 1 684 659 147 PHE N N 116.293 0.156 1 685 660 148 ARG H H 7.476 0.007 1 686 660 148 ARG C C 176.988 0.375 1 687 660 148 ARG CA C 58.020 0.469 1 688 660 148 ARG CB C 29.911 0.586 1 689 660 148 ARG N N 118.932 0.156 1 690 661 149 ARG H H 7.087 0.007 1 691 661 149 ARG C C 177.036 0.375 1 692 661 149 ARG CA C 55.110 0.469 1 693 661 149 ARG CB C 30.595 0.586 1 694 661 149 ARG N N 111.481 0.156 1 695 662 150 SER H H 6.921 0.007 1 696 662 150 SER C C 176.487 0.375 1 697 662 150 SER CA C 60.488 0.469 1 698 662 150 SER CB C 63.433 0.586 1 699 662 150 SER N N 114.448 0.156 1 700 663 151 LYS H H 8.832 0.007 1 701 663 151 LYS C C 176.827 0.375 1 702 663 151 LYS CA C 55.009 0.469 1 703 663 151 LYS CB C 32.187 0.586 1 704 663 151 LYS N N 124.920 0.156 1 705 664 152 ILE H H 8.113 0.007 1 706 664 152 ILE C C 177.393 0.375 1 707 664 152 ILE CA C 60.669 0.469 1 708 664 152 ILE CB C 37.281 0.586 1 709 664 152 ILE N N 124.636 0.156 1 710 665 153 ALA H H 8.703 0.007 1 711 665 153 ALA C C 180.252 0.375 1 712 665 153 ALA CA C 56.680 0.469 1 713 665 153 ALA CB C 18.136 0.586 1 714 665 153 ALA N N 131.819 0.156 1 715 666 154 VAL H H 8.098 0.007 1 716 666 154 VAL C C 176.495 0.375 1 717 666 154 VAL CA C 66.273 0.469 1 718 666 154 VAL CB C 31.397 0.586 1 719 666 154 VAL N N 116.437 0.156 1 720 667 155 PHE H H 6.292 0.007 1 721 667 155 PHE C C 178.099 0.375 1 722 667 155 PHE CA C 57.624 0.469 1 723 667 155 PHE CB C 35.785 0.586 1 724 667 155 PHE N N 119.779 0.156 1 725 668 156 ASP H H 8.833 0.007 1 726 668 156 ASP C C 179.298 0.375 1 727 668 156 ASP CA C 56.971 0.469 1 728 668 156 ASP CB C 41.199 0.586 1 729 668 156 ASP N N 122.089 0.156 1 730 669 157 LYS H H 8.467 0.007 1 731 669 157 LYS C C 180.123 0.375 1 732 669 157 LYS CA C 60.025 0.469 1 733 669 157 LYS CB C 32.186 0.586 1 734 669 157 LYS N N 122.418 0.156 1 735 670 158 MET H H 8.126 0.007 1 736 670 158 MET C C 178.301 0.375 1 737 670 158 MET CA C 58.990 0.469 1 738 670 158 MET CB C 34.302 0.586 1 739 670 158 MET N N 118.886 0.156 1 740 671 159 TRP H H 9.321 0.007 1 741 671 159 TRP HE1 H 10.233 0.007 1 742 671 159 TRP C C 176.441 0.375 1 743 671 159 TRP CA C 59.827 0.469 1 744 671 159 TRP CB C 30.592 0.586 1 745 671 159 TRP N N 121.957 0.156 1 746 671 159 TRP NE1 N 127.900 0.156 1 747 672 160 THR H H 8.688 0.007 1 748 672 160 THR C C 176.500 0.375 1 749 672 160 THR CA C 67.145 0.469 1 750 672 160 THR CB C 68.709 0.586 1 751 672 160 THR N N 113.779 0.156 1 752 673 161 TYR H H 7.661 0.007 1 753 673 161 TYR C C 177.141 0.375 1 754 673 161 TYR CA C 60.842 0.469 1 755 673 161 TYR CB C 37.647 0.586 1 756 673 161 TYR N N 121.142 0.156 1 757 674 162 MET H H 8.609 0.007 1 758 674 162 MET C C 177.635 0.375 1 759 674 162 MET CA C 59.914 0.469 1 760 674 162 MET CB C 34.385 0.586 1 761 674 162 MET N N 119.835 0.156 1 762 675 163 ARG H H 8.356 0.007 1 763 675 163 ARG C C 176.970 0.375 1 764 675 163 ARG CA C 58.091 0.469 1 765 675 163 ARG CB C 28.319 0.586 1 766 675 163 ARG N N 113.963 0.156 1 767 676 164 SER H H 6.711 0.007 1 768 676 164 SER C C 173.735 0.375 1 769 676 164 SER CA C 57.779 0.469 1 770 676 164 SER CB C 64.853 0.586 1 771 676 164 SER N N 111.361 0.156 1 772 677 165 ALA H H 6.818 0.007 1 773 677 165 ALA C C 176.738 0.375 1 774 677 165 ALA CA C 53.682 0.469 1 775 677 165 ALA CB C 18.725 0.586 1 776 677 165 ALA N N 126.412 0.156 1 777 678 166 GLU H H 8.134 0.007 1 778 678 166 GLU CA C 53.417 0.469 1 779 678 166 GLU CB C 32.667 0.586 1 780 678 166 GLU N N 121.904 0.156 1 781 679 167 PRO C C 175.855 0.375 1 782 679 167 PRO CA C 62.724 0.469 1 783 679 167 PRO CB C 34.653 0.586 1 784 680 168 SER H H 8.499 0.007 1 785 680 168 SER CA C 58.349 0.469 1 786 680 168 SER CB C 64.008 0.586 1 787 680 168 SER N N 111.859 0.156 1 788 681 169 VAL C C 174.971 0.375 1 789 681 169 VAL CA C 61.960 0.469 1 790 681 169 VAL CB C 31.608 0.586 1 791 682 170 PHE H H 7.868 0.007 1 792 682 170 PHE C C 176.115 0.375 1 793 682 170 PHE CA C 57.936 0.469 1 794 682 170 PHE CB C 40.090 0.586 1 795 682 170 PHE N N 121.519 0.156 1 796 683 171 VAL H H 8.032 0.007 1 797 683 171 VAL C C 175.913 0.375 1 798 683 171 VAL CA C 59.317 0.469 1 799 683 171 VAL CB C 35.254 0.586 1 800 683 171 VAL N N 112.128 0.156 1 801 684 172 ARG H H 8.824 0.007 1 802 684 172 ARG C C 177.876 0.375 1 803 684 172 ARG CA C 58.263 0.469 1 804 684 172 ARG CB C 31.758 0.586 1 805 684 172 ARG N N 118.862 0.156 1 806 685 173 THR H H 7.221 0.007 1 807 685 173 THR C C 174.177 0.375 1 808 685 173 THR CA C 59.373 0.469 1 809 685 173 THR CB C 73.616 0.586 1 810 685 173 THR N N 106.186 0.156 1 811 686 174 THR H H 9.282 0.007 1 812 686 174 THR C C 176.814 0.375 1 813 686 174 THR CA C 66.012 0.469 1 814 686 174 THR CB C 68.020 0.586 1 815 686 174 THR N N 121.760 0.156 1 816 687 175 ALA H H 8.679 0.007 1 817 687 175 ALA C C 180.741 0.375 1 818 687 175 ALA CA C 55.322 0.469 1 819 687 175 ALA CB C 17.916 0.586 1 820 687 175 ALA N N 121.121 0.156 1 821 688 176 GLU H H 7.988 0.007 1 822 688 176 GLU C C 179.521 0.375 1 823 688 176 GLU CA C 59.340 0.469 1 824 688 176 GLU CB C 30.255 0.586 1 825 688 176 GLU N N 120.011 0.156 1 826 689 177 GLY H H 7.811 0.007 1 827 689 177 GLY C C 174.345 0.375 1 828 689 177 GLY CA C 47.541 0.469 1 829 689 177 GLY N N 110.036 0.156 1 830 690 178 VAL H H 8.282 0.007 1 831 690 178 VAL C C 178.234 0.375 1 832 690 178 VAL CA C 66.179 0.469 1 833 690 178 VAL CB C 31.972 0.586 1 834 690 178 VAL N N 121.014 0.156 1 835 691 179 ALA H H 8.139 0.007 1 836 691 179 ALA C C 179.800 0.375 1 837 691 179 ALA CA C 55.030 0.469 1 838 691 179 ALA CB C 17.730 0.586 1 839 691 179 ALA N N 120.893 0.156 1 840 692 180 ARG H H 7.846 0.007 1 841 692 180 ARG C C 180.144 0.375 1 842 692 180 ARG CA C 59.882 0.469 1 843 692 180 ARG CB C 29.674 0.586 1 844 692 180 ARG N N 119.417 0.156 1 845 693 181 VAL H H 8.210 0.007 1 846 693 181 VAL C C 179.476 0.375 1 847 693 181 VAL CA C 66.772 0.469 1 848 693 181 VAL CB C 32.156 0.586 1 849 693 181 VAL N N 122.461 0.156 1 850 694 182 ARG H H 8.190 0.007 1 851 694 182 ARG CA C 60.928 0.469 1 852 694 182 ARG CB C 30.462 0.586 1 853 694 182 ARG N N 117.569 0.156 1 854 695 183 LYS C C 178.085 0.375 1 855 695 183 LYS CA C 57.681 0.469 1 856 695 183 LYS CB C 32.677 0.586 1 857 696 184 SER H H 7.520 0.007 1 858 696 184 SER C C 176.223 0.375 1 859 696 184 SER CA C 59.859 0.469 1 860 696 184 SER CB C 64.066 0.586 1 861 696 184 SER N N 112.196 0.156 1 862 697 185 LYS H H 8.606 0.007 1 863 697 185 LYS C C 175.622 0.375 1 864 697 185 LYS CA C 57.850 0.469 1 865 697 185 LYS CB C 30.050 0.586 1 866 697 185 LYS N N 119.120 0.156 1 867 698 186 GLY H H 8.205 0.007 1 868 698 186 GLY C C 175.085 0.375 1 869 698 186 GLY CA C 45.584 0.469 1 870 698 186 GLY N N 104.293 0.156 1 871 699 187 LYS H H 7.392 0.007 1 872 699 187 LYS C C 175.109 0.375 1 873 699 187 LYS CA C 55.670 0.469 1 874 699 187 LYS CB C 31.142 0.586 1 875 699 187 LYS N N 115.361 0.156 1 876 700 188 TYR H H 7.679 0.007 1 877 700 188 TYR C C 173.229 0.375 1 878 700 188 TYR CA C 57.605 0.469 1 879 700 188 TYR CB C 42.215 0.586 1 880 700 188 TYR N N 121.744 0.156 1 881 701 189 ALA H H 8.767 0.007 1 882 701 189 ALA C C 172.681 0.375 1 883 701 189 ALA CA C 50.221 0.469 1 884 701 189 ALA CB C 21.620 0.586 1 885 701 189 ALA N N 133.453 0.156 1 886 702 190 TYR H H 8.337 0.007 1 887 702 190 TYR C C 173.267 0.375 1 888 702 190 TYR CA C 54.714 0.469 1 889 702 190 TYR CB C 43.549 0.586 1 890 702 190 TYR N N 119.600 0.156 1 891 703 191 LEU H H 8.114 0.007 1 892 703 191 LEU C C 173.678 0.375 1 893 703 191 LEU CA C 53.287 0.469 1 894 703 191 LEU CB C 41.163 0.586 1 895 703 191 LEU N N 129.144 0.156 1 896 704 192 LEU H H 8.458 0.007 1 897 704 192 LEU C C 176.004 0.375 1 898 704 192 LEU CA C 54.091 0.469 1 899 704 192 LEU CB C 41.804 0.586 1 900 704 192 LEU N N 121.197 0.156 1 901 705 193 GLU H H 9.985 0.007 1 902 705 193 GLU C C 179.171 0.375 1 903 705 193 GLU CA C 57.538 0.469 1 904 705 193 GLU CB C 29.172 0.586 1 905 705 193 GLU N N 124.232 0.156 1 906 706 194 SER H H 9.827 0.007 1 907 706 194 SER C C 174.796 0.375 1 908 706 194 SER CA C 62.382 0.469 1 909 706 194 SER CB C 61.591 0.586 1 910 706 194 SER N N 120.069 0.156 1 911 707 195 THR H H 7.365 0.007 1 912 707 195 THR C C 177.871 0.375 1 913 707 195 THR CA C 62.779 0.469 1 914 707 195 THR CB C 67.476 0.586 1 915 707 195 THR N N 111.305 0.156 1 916 708 196 MET H H 7.291 0.007 1 917 708 196 MET C C 177.362 0.375 1 918 708 196 MET CA C 60.378 0.469 1 919 708 196 MET CB C 32.965 0.586 1 920 708 196 MET N N 121.788 0.156 1 921 709 197 ASN H H 8.233 0.007 1 922 709 197 ASN C C 176.940 0.375 1 923 709 197 ASN CA C 56.192 0.469 1 924 709 197 ASN CB C 39.955 0.586 1 925 709 197 ASN N N 118.182 0.156 1 926 710 198 GLU H H 9.024 0.007 1 927 710 198 GLU C C 178.475 0.375 1 928 710 198 GLU CA C 59.157 0.469 1 929 710 198 GLU CB C 29.924 0.586 1 930 710 198 GLU N N 115.653 0.156 1 931 711 199 TYR H H 7.287 0.007 1 932 711 199 TYR C C 177.022 0.375 1 933 711 199 TYR CA C 61.683 0.469 1 934 711 199 TYR CB C 38.236 0.586 1 935 711 199 TYR N N 117.275 0.156 1 936 712 200 ILE H H 7.775 0.007 1 937 712 200 ILE C C 179.121 0.375 1 938 712 200 ILE CA C 63.059 0.469 1 939 712 200 ILE CB C 37.688 0.586 1 940 712 200 ILE N N 118.792 0.156 1 941 713 201 GLU H H 8.313 0.007 1 942 713 201 GLU C C 176.208 0.375 1 943 713 201 GLU CA C 58.537 0.469 1 944 713 201 GLU CB C 29.592 0.586 1 945 713 201 GLU N N 118.925 0.156 1 946 714 202 GLN H H 6.934 0.007 1 947 714 202 GLN C C 174.613 0.375 1 948 714 202 GLN CA C 54.738 0.469 1 949 714 202 GLN CB C 28.764 0.586 1 950 714 202 GLN N N 111.784 0.156 1 951 715 203 ARG H H 7.493 0.007 1 952 715 203 ARG CA C 53.371 0.469 1 953 715 203 ARG CB C 32.776 0.586 1 954 715 203 ARG N N 119.739 0.156 1 955 716 204 LYS H H 9.143 0.007 1 956 716 204 LYS CA C 56.293 0.469 1 957 716 204 LYS N N 122.805 0.156 1 958 718 206 CYS C C 175.782 0.375 1 959 718 206 CYS CA C 56.144 0.469 1 960 719 207 ASP H H 8.689 0.007 1 961 719 207 ASP C C 176.326 0.375 1 962 719 207 ASP CA C 53.274 0.469 1 963 719 207 ASP CB C 41.206 0.586 1 964 719 207 ASP N N 116.610 0.156 1 965 720 208 THR H H 7.827 0.007 1 966 720 208 THR C C 173.270 0.375 1 967 720 208 THR CA C 59.975 0.469 1 968 720 208 THR CB C 72.511 0.586 1 969 720 208 THR N N 110.826 0.156 1 970 721 209 MET H H 8.971 0.007 1 971 721 209 MET C C 173.109 0.375 1 972 721 209 MET CA C 54.843 0.469 1 973 721 209 MET CB C 37.018 0.586 1 974 721 209 MET N N 115.864 0.156 1 975 722 210 LYS H H 8.213 0.007 1 976 722 210 LYS C C 176.626 0.375 1 977 722 210 LYS CA C 54.778 0.469 1 978 722 210 LYS CB C 33.730 0.586 1 979 722 210 LYS N N 124.128 0.156 1 980 723 211 VAL H H 7.951 0.007 1 981 723 211 VAL C C 175.714 0.375 1 982 723 211 VAL CA C 59.980 0.469 1 983 723 211 VAL CB C 34.627 0.586 1 984 723 211 VAL N N 121.931 0.156 1 985 724 212 GLY H H 8.626 0.007 1 986 724 212 GLY C C 174.063 0.375 1 987 724 212 GLY CA C 45.176 0.469 1 988 724 212 GLY N N 112.837 0.156 1 989 725 213 GLY H H 8.130 0.007 1 990 725 213 GLY C C 174.106 0.375 1 991 725 213 GLY CA C 43.963 0.469 1 992 725 213 GLY N N 106.775 0.156 1 993 726 214 ASN H H 8.588 0.007 1 994 726 214 ASN C C 177.830 0.375 1 995 726 214 ASN CA C 52.059 0.469 1 996 726 214 ASN CB C 37.962 0.586 1 997 726 214 ASN N N 119.929 0.156 1 998 727 215 LEU H H 9.349 0.007 1 999 727 215 LEU C C 175.085 0.375 1 1000 727 215 LEU CA C 56.359 0.469 1 1001 727 215 LEU CB C 41.542 0.586 1 1002 727 215 LEU N N 121.157 0.156 1 1003 728 216 ASP H H 7.432 0.007 1 1004 728 216 ASP C C 174.130 0.375 1 1005 728 216 ASP CA C 52.199 0.469 1 1006 728 216 ASP CB C 40.677 0.586 1 1007 728 216 ASP N N 116.231 0.156 1 1008 729 217 SER H H 7.749 0.007 1 1009 729 217 SER C C 173.162 0.375 1 1010 729 217 SER CA C 57.564 0.469 1 1011 729 217 SER CB C 64.020 0.586 1 1012 729 217 SER N N 110.747 0.156 1 1013 730 218 LYS H H 9.011 0.007 1 1014 730 218 LYS C C 173.595 0.375 1 1015 730 218 LYS CA C 55.185 0.469 1 1016 730 218 LYS CB C 33.731 0.586 1 1017 730 218 LYS N N 125.524 0.156 1 1018 731 219 GLY H H 7.781 0.007 1 1019 731 219 GLY C C 171.935 0.375 1 1020 731 219 GLY CA C 44.863 0.469 1 1021 731 219 GLY N N 105.906 0.156 1 1022 732 220 TYR H H 7.131 0.007 1 1023 732 220 TYR C C 175.786 0.375 1 1024 732 220 TYR CA C 52.879 0.469 1 1025 732 220 TYR CB C 40.521 0.586 1 1026 732 220 TYR N N 116.734 0.156 1 1027 733 221 GLY H H 8.117 0.007 1 1028 733 221 GLY C C 172.456 0.375 1 1029 733 221 GLY CA C 44.082 0.469 1 1030 733 221 GLY N N 104.030 0.156 1 1031 734 222 ILE H H 8.813 0.007 1 1032 734 222 ILE C C 176.177 0.375 1 1033 734 222 ILE CA C 61.102 0.469 1 1034 734 222 ILE CB C 36.775 0.586 1 1035 734 222 ILE N N 120.261 0.156 1 1036 735 223 ALA H H 7.964 0.007 1 1037 735 223 ALA C C 175.317 0.375 1 1038 735 223 ALA CA C 49.963 0.469 1 1039 735 223 ALA CB C 24.116 0.586 1 1040 735 223 ALA N N 130.624 0.156 1 1041 736 224 THR H H 8.725 0.007 1 1042 736 224 THR CA C 57.342 0.469 1 1043 736 224 THR CB C 68.921 0.586 1 1044 736 224 THR N N 110.994 0.156 1 1045 737 225 PRO C C 178.454 0.375 1 1046 737 225 PRO CA C 61.776 0.469 1 1047 737 225 PRO CB C 31.806 0.586 1 1048 738 226 LYS H H 9.415 0.007 1 1049 738 226 LYS C C 178.470 0.375 1 1050 738 226 LYS CA C 57.188 0.469 1 1051 738 226 LYS CB C 31.257 0.586 1 1052 738 226 LYS N N 124.012 0.156 1 1053 739 227 GLY H H 9.310 0.007 1 1054 739 227 GLY C C 174.570 0.375 1 1055 739 227 GLY CA C 45.109 0.469 1 1056 739 227 GLY N N 111.320 0.156 1 1057 740 228 SER H H 7.243 0.007 1 1058 740 228 SER C C 178.267 0.375 1 1059 740 228 SER CA C 58.506 0.469 1 1060 740 228 SER CB C 64.393 0.586 1 1061 740 228 SER N N 111.963 0.156 1 1062 741 229 SER H H 9.395 0.007 1 1063 741 229 SER C C 175.395 0.375 1 1064 741 229 SER CA C 60.562 0.469 1 1065 741 229 SER CB C 62.841 0.586 1 1066 741 229 SER N N 126.613 0.156 1 1067 742 230 LEU H H 8.666 0.007 1 1068 742 230 LEU C C 176.884 0.375 1 1069 742 230 LEU CA C 55.213 0.469 1 1070 742 230 LEU CB C 42.865 0.586 1 1071 742 230 LEU N N 120.439 0.156 1 1072 743 231 ARG H H 6.848 0.007 1 1073 743 231 ARG C C 178.820 0.375 1 1074 743 231 ARG CA C 61.698 0.469 1 1075 743 231 ARG CB C 30.875 0.586 1 1076 743 231 ARG N N 119.262 0.156 1 1077 744 232 THR H H 9.141 0.007 1 1078 744 232 THR CA C 68.589 0.469 1 1079 744 232 THR CB C 66.569 0.586 1 1080 744 232 THR N N 116.128 0.156 1 1081 745 233 PRO C C 179.513 0.375 1 1082 745 233 PRO CA C 66.561 0.469 1 1083 745 233 PRO CB C 31.111 0.586 1 1084 746 234 VAL H H 8.190 0.007 1 1085 746 234 VAL C C 176.992 0.375 1 1086 746 234 VAL CA C 66.733 0.469 1 1087 746 234 VAL CB C 31.212 0.586 1 1088 746 234 VAL N N 116.036 0.156 1 1089 747 235 ASN H H 7.796 0.007 1 1090 747 235 ASN C C 177.595 0.375 1 1091 747 235 ASN CA C 57.659 0.469 1 1092 747 235 ASN CB C 39.180 0.586 1 1093 747 235 ASN N N 119.998 0.156 1 1094 748 236 LEU H H 8.221 0.007 1 1095 748 236 LEU C C 179.713 0.375 1 1096 748 236 LEU CA C 57.825 0.469 1 1097 748 236 LEU CB C 41.228 0.586 1 1098 748 236 LEU N N 116.685 0.156 1 1099 749 237 ALA H H 8.069 0.007 1 1100 749 237 ALA C C 178.829 0.375 1 1101 749 237 ALA CA C 55.211 0.469 1 1102 749 237 ALA CB C 18.943 0.586 1 1103 749 237 ALA N N 121.474 0.156 1 1104 750 238 VAL H H 8.272 0.007 1 1105 750 238 VAL C C 177.941 0.375 1 1106 750 238 VAL CA C 68.505 0.469 1 1107 750 238 VAL CB C 31.541 0.586 1 1108 750 238 VAL N N 118.626 0.156 1 1109 751 239 LEU H H 8.037 0.007 1 1110 751 239 LEU C C 179.713 0.375 1 1111 751 239 LEU CA C 58.557 0.469 1 1112 751 239 LEU CB C 41.700 0.586 1 1113 751 239 LEU N N 119.568 0.156 1 1114 752 240 LYS H H 8.057 0.007 1 1115 752 240 LYS CA C 58.722 0.469 1 1116 752 240 LYS CB C 31.794 0.586 1 1117 752 240 LYS N N 120.681 0.156 1 1118 753 241 LEU H H 8.592 0.007 1 1119 753 241 LEU C C 180.351 0.375 1 1120 753 241 LEU CA C 57.873 0.469 1 1121 753 241 LEU CB C 41.745 0.586 1 1122 753 241 LEU N N 118.420 0.156 1 1123 754 242 SER H H 8.450 0.007 1 1124 754 242 SER C C 178.996 0.375 1 1125 754 242 SER CA C 61.002 0.469 1 1126 754 242 SER CB C 63.102 0.586 1 1127 754 242 SER N N 113.914 0.156 1 1128 755 243 GLU H H 8.381 0.007 1 1129 755 243 GLU C C 178.560 0.375 1 1130 755 243 GLU CA C 59.317 0.469 1 1131 755 243 GLU CB C 29.606 0.586 1 1132 755 243 GLU N N 122.869 0.156 1 1133 756 244 GLN H H 8.264 0.007 1 1134 756 244 GLN C C 176.806 0.375 1 1135 756 244 GLN CA C 56.342 0.469 1 1136 756 244 GLN CB C 29.702 0.586 1 1137 756 244 GLN N N 114.502 0.156 1 1138 757 245 GLY H H 7.822 0.007 1 1139 757 245 GLY C C 175.638 0.375 1 1140 757 245 GLY CA C 45.977 0.469 1 1141 757 245 GLY N N 106.917 0.156 1 1142 758 246 VAL H H 8.031 0.007 1 1143 758 246 VAL C C 177.683 0.375 1 1144 758 246 VAL CA C 65.815 0.469 1 1145 758 246 VAL CB C 32.346 0.586 1 1146 758 246 VAL N N 121.008 0.156 1 1147 759 247 LEU H H 7.186 0.007 1 1148 759 247 LEU C C 180.366 0.375 1 1149 759 247 LEU CA C 58.474 0.469 1 1150 759 247 LEU CB C 38.906 0.586 1 1151 759 247 LEU N N 115.750 0.156 1 1152 760 248 ASP H H 7.745 0.007 1 1153 760 248 ASP C C 178.319 0.375 1 1154 760 248 ASP CA C 57.690 0.469 1 1155 760 248 ASP CB C 40.520 0.586 1 1156 760 248 ASP N N 120.460 0.156 1 1157 761 249 LYS H H 7.761 0.007 1 1158 761 249 LYS C C 180.350 0.375 1 1159 761 249 LYS CA C 59.970 0.469 1 1160 761 249 LYS CB C 32.409 0.586 1 1161 761 249 LYS N N 120.643 0.156 1 1162 762 250 LEU H H 8.657 0.007 1 1163 762 250 LEU C C 179.627 0.375 1 1164 762 250 LEU CA C 58.018 0.469 1 1165 762 250 LEU CB C 43.491 0.586 1 1166 762 250 LEU N N 119.695 0.156 1 1167 763 251 LYS H H 8.322 0.007 1 1168 763 251 LYS C C 178.708 0.375 1 1169 763 251 LYS CA C 59.976 0.469 1 1170 763 251 LYS CB C 31.558 0.586 1 1171 763 251 LYS N N 121.883 0.156 1 1172 764 252 ASN H H 8.251 0.007 1 1173 764 252 ASN C C 176.995 0.375 1 1174 764 252 ASN CA C 56.683 0.469 1 1175 764 252 ASN CB C 38.137 0.586 1 1176 764 252 ASN N N 117.697 0.156 1 1177 765 253 LYS H H 8.087 0.007 1 1178 765 253 LYS C C 178.015 0.375 1 1179 765 253 LYS CA C 59.233 0.469 1 1180 765 253 LYS CB C 33.576 0.586 1 1181 765 253 LYS N N 118.917 0.156 1 1182 766 254 TRP H H 7.744 0.007 1 1183 766 254 TRP HE1 H 10.860 0.007 1 1184 766 254 TRP C C 175.665 0.375 1 1185 766 254 TRP CA C 58.977 0.469 1 1186 766 254 TRP CB C 30.758 0.586 1 1187 766 254 TRP N N 115.326 0.156 1 1188 766 254 TRP NE1 N 129.969 0.156 1 1189 767 255 TRP H H 8.929 0.007 1 1190 767 255 TRP HE1 H 10.372 0.007 1 1191 767 255 TRP C C 177.050 0.375 1 1192 767 255 TRP CA C 60.959 0.469 1 1193 767 255 TRP CB C 30.357 0.586 1 1194 767 255 TRP N N 120.216 0.156 1 1195 767 255 TRP NE1 N 127.286 0.156 1 1196 768 256 TYR H H 7.254 0.007 1 1197 768 256 TYR C C 176.646 0.375 1 1198 768 256 TYR CA C 59.192 0.469 1 1199 768 256 TYR CB C 38.820 0.586 1 1200 768 256 TYR N N 118.732 0.156 1 1201 769 257 ASP H H 8.550 0.007 1 1202 769 257 ASP C C 176.217 0.375 1 1203 769 257 ASP CA C 55.255 0.469 1 1204 769 257 ASP CB C 40.596 0.586 1 1205 769 257 ASP N N 123.197 0.156 1 1206 770 258 LYS H H 8.070 0.007 1 1207 770 258 LYS C C 176.823 0.375 1 1208 770 258 LYS CA C 55.664 0.469 1 1209 770 258 LYS CB C 32.325 0.586 1 1210 770 258 LYS N N 120.118 0.156 1 1211 771 259 GLY H H 8.269 0.007 1 1212 771 259 GLY C C 175.651 0.375 1 1213 771 259 GLY CA C 46.430 0.469 1 1214 771 259 GLY N N 108.650 0.156 1 1215 772 260 GLU H H 8.504 0.007 1 1216 772 260 GLU C C 177.074 0.375 1 1217 772 260 GLU CA C 57.125 0.469 1 1218 772 260 GLU CB C 31.589 0.586 1 1219 772 260 GLU N N 119.399 0.156 1 1220 773 261 CYS H H 8.415 0.007 1 1221 773 261 CYS C C 175.819 0.375 1 1222 773 261 CYS CA C 53.414 0.469 1 1223 773 261 CYS CB C 39.458 0.586 1 1224 773 261 CYS N N 116.819 0.156 1 1225 774 262 GLY H H 8.285 0.007 1 1226 774 262 GLY C C 172.832 0.375 1 1227 774 262 GLY CA C 45.368 0.469 1 1228 774 262 GLY N N 110.838 0.156 1 1229 775 263 ALA H H 7.944 0.007 1 1230 775 263 ALA CA C 53.740 0.469 1 1231 775 263 ALA CB C 20.080 0.586 1 1232 775 263 ALA N N 129.335 0.156 1 stop_ save_