data_27841 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for the T686A variant of the ligand-binding domain of human ionotropic glutamate receptor 2 complexed with glutamate ; _BMRB_accession_number 27841 _BMRB_flat_file_name bmr27841.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 T686A and 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 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" 251 "13C chemical shifts" 734 "15N chemical shifts" 251 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 27840 'human 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' 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-T686A 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-T686A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hGluR2-LBD-T686A _Molecular_mass 29206.75 _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 YMRSAEPSVFVRTAAEGVAR 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 ALA 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 . 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-T686A 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-T686A '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-T686A 0.35 mM '[U-13C; U-15N]' $entity_GLU 2.9 mM 'natural abundance' 'acetic acid' 8.7 mM 'natural abundance' 'sodium acetate' 15.2 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' 0.039 . M pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 . 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 169.881 0.375 1 2 390 1 GLY CA C 43.315 0.469 1 3 391 2 ALA H H 8.614 0.007 1 4 391 2 ALA C C 177.481 0.375 1 5 391 2 ALA CA C 52.512 0.469 1 6 391 2 ALA CB C 19.352 0.586 1 7 391 2 ALA N N 123.420 0.156 1 8 392 3 ASN H H 8.591 0.007 1 9 392 3 ASN C C 174.808 0.375 1 10 392 3 ASN CA C 53.203 0.469 1 11 392 3 ASN CB C 38.781 0.586 1 12 392 3 ASN N N 118.589 0.156 1 13 393 4 LYS H H 8.230 0.007 1 14 393 4 LYS C C 176.382 0.375 1 15 393 4 LYS CA C 56.148 0.469 1 16 393 4 LYS CB C 33.426 0.586 1 17 393 4 LYS N N 121.740 0.156 1 18 394 5 THR H H 8.466 0.007 1 19 394 5 THR C C 173.696 0.375 1 20 394 5 THR CA C 63.319 0.469 1 21 394 5 THR CB C 68.926 0.586 1 22 394 5 THR N N 121.024 0.156 1 23 395 6 VAL H H 8.760 0.007 1 24 395 6 VAL C C 174.710 0.375 1 25 395 6 VAL CA C 62.813 0.469 1 26 395 6 VAL CB C 32.743 0.586 1 27 395 6 VAL N N 129.810 0.156 1 28 396 7 VAL H H 9.883 0.007 1 29 396 7 VAL C C 175.834 0.375 1 30 396 7 VAL CA C 63.728 0.469 1 31 396 7 VAL CB C 32.447 0.586 1 32 396 7 VAL N N 130.370 0.156 1 33 397 8 VAL H H 8.705 0.007 1 34 397 8 VAL C C 176.389 0.375 1 35 397 8 VAL CA C 59.628 0.469 1 36 397 8 VAL CB C 33.158 0.586 1 37 397 8 VAL N N 130.543 0.156 1 38 398 9 THR H H 9.000 0.007 1 39 398 9 THR C C 171.371 0.375 1 40 398 9 THR CA C 59.849 0.469 1 41 398 9 THR CB C 68.604 0.586 1 42 398 9 THR N N 124.067 0.156 1 43 399 10 THR H H 7.875 0.007 1 44 399 10 THR C C 169.885 0.375 1 45 399 10 THR CA C 61.259 0.469 1 46 399 10 THR CB C 68.832 0.586 1 47 399 10 THR N N 123.860 0.156 1 48 400 11 ILE H H 7.873 0.007 1 49 400 11 ILE C C 172.030 0.375 1 50 400 11 ILE CA C 58.837 0.469 1 51 400 11 ILE CB C 43.154 0.586 1 52 400 11 ILE N N 119.484 0.156 1 53 401 12 LEU H H 7.869 0.007 1 54 401 12 LEU C C 174.801 0.375 1 55 401 12 LEU CA C 54.804 0.469 1 56 401 12 LEU CB C 40.010 0.586 1 57 401 12 LEU N N 124.316 0.156 1 58 402 13 GLU H H 7.837 0.007 1 59 402 13 GLU C C 176.413 0.375 1 60 402 13 GLU CA C 55.175 0.469 1 61 402 13 GLU CB C 33.884 0.586 1 62 402 13 GLU N N 128.198 0.156 1 63 403 14 SER H H 9.794 0.007 1 64 403 14 SER CA C 58.519 0.469 1 65 403 14 SER CB C 62.733 0.586 1 66 403 14 SER N N 130.967 0.156 1 67 404 15 PRO C C 173.773 0.375 1 68 404 15 PRO CA C 63.728 0.469 1 69 404 15 PRO CB C 31.073 0.586 1 70 405 16 TYR H H 8.167 0.007 1 71 405 16 TYR C C 176.882 0.375 1 72 405 16 TYR CA C 62.269 0.469 1 73 405 16 TYR CB C 37.910 0.586 1 74 405 16 TYR N N 124.298 0.156 1 75 406 17 VAL H H 8.042 0.007 1 76 406 17 VAL C C 173.964 0.375 1 77 406 17 VAL CA C 63.948 0.469 1 78 406 17 VAL CB C 34.439 0.586 1 79 406 17 VAL N N 117.493 0.156 1 80 407 18 MET H H 9.392 0.007 1 81 407 18 MET C C 175.148 0.375 1 82 407 18 MET CA C 53.672 0.469 1 83 407 18 MET CB C 36.200 0.586 1 84 407 18 MET N N 125.231 0.156 1 85 408 19 MET H H 8.815 0.007 1 86 408 19 MET C C 177.717 0.375 1 87 408 19 MET CA C 54.760 0.469 1 88 408 19 MET CB C 31.198 0.586 1 89 408 19 MET N N 119.438 0.156 1 90 409 20 LYS H H 8.595 0.007 1 91 409 20 LYS C C 177.523 0.375 1 92 409 20 LYS CA C 57.360 0.469 1 93 409 20 LYS CB C 34.164 0.586 1 94 409 20 LYS N N 125.892 0.156 1 95 410 21 LYS H H 8.934 0.007 1 96 410 21 LYS C C 177.377 0.375 1 97 410 21 LYS CA C 58.594 0.469 1 98 410 21 LYS CB C 32.037 0.586 1 99 410 21 LYS N N 123.318 0.156 1 100 411 22 ASN H H 8.795 0.007 1 101 411 22 ASN C C 176.188 0.375 1 102 411 22 ASN CA C 53.263 0.469 1 103 411 22 ASN CB C 36.827 0.586 1 104 411 22 ASN N N 116.263 0.156 1 105 412 23 HIS H H 7.705 0.007 1 106 412 23 HIS C C 175.408 0.375 1 107 412 23 HIS CA C 58.647 0.469 1 108 412 23 HIS CB C 28.619 0.586 1 109 412 23 HIS N N 114.657 0.156 1 110 413 24 GLU H H 8.791 0.007 1 111 413 24 GLU C C 177.210 0.375 1 112 413 24 GLU CA C 58.962 0.469 1 113 413 24 GLU CB C 28.549 0.586 1 114 413 24 GLU N N 120.327 0.156 1 115 414 25 MET H H 7.908 0.007 1 116 414 25 MET C C 175.439 0.375 1 117 414 25 MET CA C 54.873 0.469 1 118 414 25 MET CB C 32.203 0.586 1 119 414 25 MET N N 115.925 0.156 1 120 415 26 LEU H H 7.498 0.007 1 121 415 26 LEU C C 174.884 0.375 1 122 415 26 LEU CA C 53.399 0.469 1 123 415 26 LEU CB C 44.269 0.586 1 124 415 26 LEU N N 121.398 0.156 1 125 416 27 GLU H H 8.394 0.007 1 126 416 27 GLU C C 176.970 0.375 1 127 416 27 GLU CA C 54.358 0.469 1 128 416 27 GLU CB C 33.051 0.586 1 129 416 27 GLU N N 117.579 0.156 1 130 417 28 GLY H H 8.895 0.007 1 131 417 28 GLY C C 177.200 0.375 1 132 417 28 GLY CA C 46.445 0.469 1 133 417 28 GLY N N 108.955 0.156 1 134 418 29 ASN H H 9.583 0.007 1 135 418 29 ASN C C 176.257 0.375 1 136 418 29 ASN CA C 55.497 0.469 1 137 418 29 ASN CB C 37.194 0.586 1 138 418 29 ASN N N 124.790 0.156 1 139 419 30 GLU H H 7.881 0.007 1 140 419 30 GLU C C 176.068 0.375 1 141 419 30 GLU CA C 57.450 0.469 1 142 419 30 GLU CB C 29.588 0.586 1 143 419 30 GLU N N 115.807 0.156 1 144 420 31 ARG H H 6.929 0.007 1 145 420 31 ARG C C 174.353 0.375 1 146 420 31 ARG CA C 58.653 0.469 1 147 420 31 ARG CB C 31.328 0.586 1 148 420 31 ARG N N 113.997 0.156 1 149 421 32 TYR H H 6.940 0.007 1 150 421 32 TYR C C 173.947 0.375 1 151 421 32 TYR CA C 55.731 0.469 1 152 421 32 TYR CB C 42.996 0.586 1 153 421 32 TYR N N 113.543 0.156 1 154 422 33 GLU H H 9.248 0.007 1 155 422 33 GLU C C 172.876 0.375 1 156 422 33 GLU CA C 53.816 0.469 1 157 422 33 GLU CB C 33.082 0.586 1 158 422 33 GLU N N 115.534 0.156 1 159 423 34 GLY H H 8.317 0.007 1 160 423 34 GLY C C 174.322 0.375 1 161 423 34 GLY CA C 42.461 0.469 1 162 423 34 GLY N N 108.473 0.156 1 163 424 35 TYR H H 7.429 0.007 1 164 424 35 TYR C C 178.369 0.375 1 165 424 35 TYR CA C 63.040 0.469 1 166 424 35 TYR CB C 40.169 0.586 1 167 424 35 TYR N N 118.658 0.156 1 168 425 36 CYS H H 10.278 0.007 1 169 425 36 CYS C C 175.502 0.375 1 170 425 36 CYS CA C 64.269 0.469 1 171 425 36 CYS CB C 27.171 0.586 1 172 425 36 CYS N N 113.952 0.156 1 173 426 37 VAL H H 6.697 0.007 1 174 426 37 VAL C C 178.577 0.375 1 175 426 37 VAL CA C 66.596 0.469 1 176 426 37 VAL CB C 31.302 0.586 1 177 426 37 VAL N N 123.357 0.156 1 178 427 38 ASP H H 8.136 0.007 1 179 427 38 ASP C C 179.180 0.375 1 180 427 38 ASP CA C 57.269 0.469 1 181 427 38 ASP CB C 41.093 0.586 1 182 427 38 ASP N N 122.432 0.156 1 183 428 39 LEU H H 8.432 0.007 1 184 428 39 LEU C C 177.792 0.375 1 185 428 39 LEU CA C 57.770 0.469 1 186 428 39 LEU CB C 41.969 0.586 1 187 428 39 LEU N N 120.129 0.156 1 188 429 40 ALA H H 8.023 0.007 1 189 429 40 ALA C C 177.723 0.375 1 190 429 40 ALA CA C 55.651 0.469 1 191 429 40 ALA CB C 17.447 0.586 1 192 429 40 ALA N N 120.007 0.156 1 193 430 41 ALA H H 7.258 0.007 1 194 430 41 ALA C C 181.459 0.375 1 195 430 41 ALA CA C 55.406 0.469 1 196 430 41 ALA CB C 18.061 0.586 1 197 430 41 ALA N N 118.051 0.156 1 198 431 42 GLU H H 7.774 0.007 1 199 431 42 GLU C C 180.043 0.375 1 200 431 42 GLU CA C 58.684 0.469 1 201 431 42 GLU CB C 30.109 0.586 1 202 431 42 GLU N N 117.565 0.156 1 203 432 43 ILE H H 8.653 0.007 1 204 432 43 ILE C C 177.737 0.375 1 205 432 43 ILE CA C 64.183 0.469 1 206 432 43 ILE CB C 36.575 0.586 1 207 432 43 ILE N N 120.989 0.156 1 208 433 44 ALA H H 8.298 0.007 1 209 433 44 ALA C C 180.049 0.375 1 210 433 44 ALA CA C 55.461 0.469 1 211 433 44 ALA CB C 20.155 0.586 1 212 433 44 ALA N N 122.746 0.156 1 213 434 45 LYS H H 7.643 0.007 1 214 434 45 LYS C C 179.128 0.375 1 215 434 45 LYS CA C 59.025 0.469 1 216 434 45 LYS CB C 32.311 0.586 1 217 434 45 LYS N N 117.404 0.156 1 218 435 46 HIS H H 7.636 0.007 1 219 435 46 HIS C C 177.055 0.375 1 220 435 46 HIS CA C 59.528 0.469 1 221 435 46 HIS CB C 30.474 0.586 1 222 435 46 HIS N N 116.339 0.156 1 223 436 47 CYS H H 8.081 0.007 1 224 436 47 CYS C C 175.161 0.375 1 225 436 47 CYS CA C 60.665 0.469 1 226 436 47 CYS CB C 29.830 0.586 1 227 436 47 CYS N N 113.887 0.156 1 228 437 48 GLY H H 8.000 0.007 1 229 437 48 GLY C C 173.971 0.375 1 230 437 48 GLY CA C 46.752 0.469 1 231 437 48 GLY N N 109.114 0.156 1 232 438 49 PHE H H 7.104 0.007 1 233 438 49 PHE C C 174.736 0.375 1 234 438 49 PHE CA C 54.371 0.469 1 235 438 49 PHE CB C 41.107 0.586 1 236 438 49 PHE N N 113.632 0.156 1 237 439 50 LYS H H 8.886 0.007 1 238 439 50 LYS C C 176.501 0.375 1 239 439 50 LYS CA C 55.175 0.469 1 240 439 50 LYS CB C 33.931 0.586 1 241 439 50 LYS N N 121.208 0.156 1 242 440 51 TYR H H 8.475 0.007 1 243 440 51 TYR C C 173.947 0.375 1 244 440 51 TYR CA C 55.729 0.469 1 245 440 51 TYR CB C 42.519 0.586 1 246 440 51 TYR N N 116.844 0.156 1 247 441 52 LYS H H 8.927 0.007 1 248 441 52 LYS C C 175.448 0.375 1 249 441 52 LYS CA C 54.379 0.469 1 250 441 52 LYS CB C 35.844 0.586 1 251 441 52 LYS N N 122.164 0.156 1 252 442 53 LEU H H 8.840 0.007 1 253 442 53 LEU C C 176.175 0.375 1 254 442 53 LEU CA C 55.432 0.469 1 255 442 53 LEU CB C 42.632 0.586 1 256 442 53 LEU N N 125.043 0.156 1 257 443 54 THR H H 8.716 0.007 1 258 443 54 THR C C 170.956 0.375 1 259 443 54 THR CA C 60.121 0.469 1 260 443 54 THR CB C 71.357 0.586 1 261 443 54 THR N N 119.154 0.156 1 262 444 55 ILE H H 8.174 0.007 1 263 444 55 ILE C C 176.649 0.375 1 264 444 55 ILE CA C 57.477 0.469 1 265 444 55 ILE CB C 35.076 0.586 1 266 444 55 ILE N N 122.418 0.156 1 267 445 56 VAL H H 8.826 0.007 1 268 445 56 VAL C C 177.374 0.375 1 269 445 56 VAL CA C 61.259 0.469 1 270 445 56 VAL CB C 31.029 0.586 1 271 445 56 VAL N N 130.395 0.156 1 272 446 57 GLY H H 9.011 0.007 1 273 446 57 GLY C C 175.494 0.375 1 274 446 57 GLY CA C 48.317 0.469 1 275 446 57 GLY N N 118.466 0.156 1 276 447 58 ASP H H 7.917 0.007 1 277 447 58 ASP C C 178.244 0.375 1 278 447 58 ASP CA C 52.569 0.469 1 279 447 58 ASP CB C 40.576 0.586 1 280 447 58 ASP N N 116.575 0.156 1 281 448 59 GLY H H 7.430 0.007 1 282 448 59 GLY C C 173.896 0.375 1 283 448 59 GLY CA C 46.523 0.469 1 284 448 59 GLY N N 105.469 0.156 1 285 449 60 LYS H H 7.885 0.007 1 286 449 60 LYS C C 175.438 0.375 1 287 449 60 LYS CA C 55.171 0.469 1 288 449 60 LYS CB C 35.262 0.586 1 289 449 60 LYS N N 119.474 0.156 1 290 450 61 TYR H H 8.418 0.007 1 291 450 61 TYR C C 177.730 0.375 1 292 450 61 TYR CA C 62.342 0.469 1 293 450 61 TYR CB C 39.028 0.586 1 294 450 61 TYR N N 119.015 0.156 1 295 451 62 GLY H H 8.036 0.007 1 296 451 62 GLY C C 172.888 0.375 1 297 451 62 GLY CA C 47.152 0.469 1 298 451 62 GLY N N 102.638 0.156 1 299 452 63 ALA H H 9.073 0.007 1 300 452 63 ALA C C 174.082 0.375 1 301 452 63 ALA CA C 51.350 0.469 1 302 452 63 ALA CB C 22.594 0.586 1 303 452 63 ALA N N 133.073 0.156 1 304 453 64 ARG H H 7.728 0.007 1 305 453 64 ARG C C 175.868 0.375 1 306 453 64 ARG CA C 54.120 0.469 1 307 453 64 ARG CB C 30.365 0.586 1 308 453 64 ARG N N 122.211 0.156 1 309 454 65 ASP H H 7.862 0.007 1 310 454 65 ASP C C 177.377 0.375 1 311 454 65 ASP CA C 55.139 0.469 1 312 454 65 ASP CB C 43.065 0.586 1 313 454 65 ASP N N 129.791 0.156 1 314 455 66 ALA H H 8.739 0.007 1 315 455 66 ALA C C 178.109 0.375 1 316 455 66 ALA CA C 54.850 0.469 1 317 455 66 ALA CB C 19.002 0.586 1 318 455 66 ALA N N 128.994 0.156 1 319 456 67 ASP H H 8.445 0.007 1 320 456 67 ASP C C 177.765 0.375 1 321 456 67 ASP CA C 56.235 0.469 1 322 456 67 ASP CB C 41.771 0.586 1 323 456 67 ASP N N 115.552 0.156 1 324 457 68 THR H H 8.619 0.007 1 325 457 68 THR C C 175.855 0.375 1 326 457 68 THR CA C 62.298 0.469 1 327 457 68 THR CB C 70.437 0.586 1 328 457 68 THR N N 109.723 0.156 1 329 458 69 LYS H H 7.852 0.007 1 330 458 69 LYS C C 174.756 0.375 1 331 458 69 LYS CA C 57.585 0.469 1 332 458 69 LYS CB C 29.093 0.586 1 333 458 69 LYS N N 114.146 0.156 1 334 459 70 ILE H H 7.383 0.007 1 335 459 70 ILE C C 177.940 0.375 1 336 459 70 ILE CA C 60.238 0.469 1 337 459 70 ILE CB C 39.334 0.586 1 338 459 70 ILE N N 119.339 0.156 1 339 460 71 TRP H H 8.682 0.007 1 340 460 71 TRP HE1 H 10.069 0.007 1 341 460 71 TRP C C 175.532 0.375 1 342 460 71 TRP CA C 58.072 0.469 1 343 460 71 TRP CB C 30.418 0.586 1 344 460 71 TRP N N 129.237 0.156 1 345 460 71 TRP NE1 N 129.765 0.156 1 346 461 72 ASN H H 8.237 0.007 1 347 461 72 ASN C C 176.587 0.375 1 348 461 72 ASN CA C 50.050 0.469 1 349 461 72 ASN CB C 39.667 0.586 1 350 461 72 ASN N N 120.431 0.156 1 351 462 73 GLY H H 10.084 0.007 1 352 462 73 GLY C C 176.595 0.375 1 353 462 73 GLY CA C 46.536 0.469 1 354 462 73 GLY N N 106.584 0.156 1 355 463 74 MET H H 7.666 0.007 1 356 463 74 MET C C 177.942 0.375 1 357 463 74 MET CA C 59.453 0.469 1 358 463 74 MET CB C 35.083 0.586 1 359 463 74 MET N N 123.597 0.156 1 360 464 75 VAL H H 7.510 0.007 1 361 464 75 VAL C C 177.159 0.375 1 362 464 75 VAL CA C 67.503 0.469 1 363 464 75 VAL CB C 31.678 0.586 1 364 464 75 VAL N N 114.283 0.156 1 365 465 76 GLY H H 7.851 0.007 1 366 465 76 GLY C C 174.304 0.375 1 367 465 76 GLY CA C 47.271 0.469 1 368 465 76 GLY N N 106.313 0.156 1 369 466 77 GLU H H 7.655 0.007 1 370 466 77 GLU C C 178.768 0.375 1 371 466 77 GLU CA C 60.752 0.469 1 372 466 77 GLU CB C 28.820 0.586 1 373 466 77 GLU N N 118.577 0.156 1 374 467 78 LEU H H 7.303 0.007 1 375 467 78 LEU C C 179.202 0.375 1 376 467 78 LEU CA C 56.881 0.469 1 377 467 78 LEU CB C 42.490 0.586 1 378 467 78 LEU N N 116.278 0.156 1 379 468 79 VAL H H 8.204 0.007 1 380 468 79 VAL C C 178.524 0.375 1 381 468 79 VAL CA C 65.763 0.469 1 382 468 79 VAL CB C 31.967 0.586 1 383 468 79 VAL N N 119.385 0.156 1 384 469 80 TYR H H 8.193 0.007 1 385 469 80 TYR C C 177.026 0.375 1 386 469 80 TYR CA C 56.737 0.469 1 387 469 80 TYR CB C 36.536 0.586 1 388 469 80 TYR N N 114.662 0.156 1 389 470 81 GLY H H 7.227 0.007 1 390 470 81 GLY C C 175.148 0.375 1 391 470 81 GLY CA C 47.255 0.469 1 392 470 81 GLY N N 106.459 0.156 1 393 471 82 LYS H H 8.629 0.007 1 394 471 82 LYS C C 175.620 0.375 1 395 471 82 LYS CA C 56.271 0.469 1 396 471 82 LYS CB C 32.914 0.586 1 397 471 82 LYS N N 118.328 0.156 1 398 472 83 ALA H H 7.468 0.007 1 399 472 83 ALA C C 174.502 0.375 1 400 472 83 ALA CA C 50.582 0.469 1 401 472 83 ALA CB C 22.282 0.586 1 402 472 83 ALA N N 119.136 0.156 1 403 473 84 ASP H H 8.732 0.007 1 404 473 84 ASP C C 175.126 0.375 1 405 473 84 ASP CA C 56.214 0.469 1 406 473 84 ASP CB C 44.028 0.586 1 407 473 84 ASP N N 117.588 0.156 1 408 474 85 ILE H H 7.626 0.007 1 409 474 85 ILE C C 172.038 0.375 1 410 474 85 ILE CA C 59.611 0.469 1 411 474 85 ILE CB C 40.364 0.586 1 412 474 85 ILE N N 114.308 0.156 1 413 475 86 ALA H H 9.259 0.007 1 414 475 86 ALA C C 177.516 0.375 1 415 475 86 ALA CA C 50.418 0.469 1 416 475 86 ALA CB C 21.764 0.586 1 417 475 86 ALA N N 128.278 0.156 1 418 476 87 ILE H H 7.343 0.007 1 419 476 87 ILE C C 172.187 0.375 1 420 476 87 ILE CA C 61.957 0.469 1 421 476 87 ILE CB C 37.258 0.586 1 422 476 87 ILE N N 122.886 0.156 1 423 477 88 ALA H H 9.151 0.007 1 424 477 88 ALA CA C 50.994 0.469 1 425 477 88 ALA CB C 22.201 0.586 1 426 477 88 ALA N N 130.284 0.156 1 427 478 89 PRO C C 171.648 0.375 1 428 478 89 PRO CA C 60.386 0.469 1 429 478 89 PRO CB C 26.660 0.586 1 430 479 90 LEU H H 7.858 0.007 1 431 479 90 LEU C C 174.510 0.375 1 432 479 90 LEU CA C 53.137 0.469 1 433 479 90 LEU CB C 44.870 0.586 1 434 479 90 LEU N N 125.962 0.156 1 435 480 91 THR H H 9.139 0.007 1 436 480 91 THR C C 173.582 0.375 1 437 480 91 THR CA C 63.843 0.469 1 438 480 91 THR CB C 68.547 0.586 1 439 480 91 THR N N 124.316 0.156 1 440 481 92 ILE H H 8.160 0.007 1 441 481 92 ILE C C 175.657 0.375 1 442 481 92 ILE CA C 62.553 0.469 1 443 481 92 ILE CB C 37.362 0.586 1 444 481 92 ILE N N 127.564 0.156 1 445 482 93 THR H H 6.354 0.007 1 446 482 93 THR C C 173.930 0.375 1 447 482 93 THR CA C 58.068 0.469 1 448 482 93 THR CB C 71.863 0.586 1 449 482 93 THR N N 116.879 0.156 1 450 483 94 LEU H H 8.550 0.007 1 451 483 94 LEU C C 180.142 0.375 1 452 483 94 LEU CA C 58.183 0.469 1 453 483 94 LEU CB C 41.758 0.586 1 454 483 94 LEU N N 124.135 0.156 1 455 484 95 VAL H H 8.031 0.007 1 456 484 95 VAL C C 179.192 0.375 1 457 484 95 VAL CA C 65.552 0.469 1 458 484 95 VAL CB C 31.693 0.586 1 459 484 95 VAL N N 116.330 0.156 1 460 485 96 ARG H H 7.479 0.007 1 461 485 96 ARG C C 177.995 0.375 1 462 485 96 ARG CA C 59.348 0.469 1 463 485 96 ARG CB C 31.517 0.586 1 464 485 96 ARG N N 118.349 0.156 1 465 486 97 GLU H H 8.277 0.007 1 466 486 97 GLU C C 176.966 0.375 1 467 486 97 GLU CA C 58.026 0.469 1 468 486 97 GLU CB C 29.557 0.586 1 469 486 97 GLU N N 118.863 0.156 1 470 487 98 GLU H H 7.236 0.007 1 471 487 98 GLU C C 178.294 0.375 1 472 487 98 GLU CA C 58.992 0.469 1 473 487 98 GLU CB C 30.562 0.586 1 474 487 98 GLU N N 115.896 0.156 1 475 488 99 VAL H H 7.614 0.007 1 476 488 99 VAL C C 174.208 0.375 1 477 488 99 VAL CA C 61.479 0.469 1 478 488 99 VAL CB C 34.118 0.586 1 479 488 99 VAL N N 106.587 0.156 1 480 489 100 ILE H H 8.066 0.007 1 481 489 100 ILE C C 172.107 0.375 1 482 489 100 ILE CA C 60.120 0.469 1 483 489 100 ILE CB C 41.639 0.586 1 484 489 100 ILE N N 117.706 0.156 1 485 490 101 ASP H H 8.326 0.007 1 486 490 101 ASP C C 175.079 0.375 1 487 490 101 ASP CA C 52.664 0.469 1 488 490 101 ASP CB C 43.403 0.586 1 489 490 101 ASP N N 115.153 0.156 1 490 491 102 PHE H H 9.001 0.007 1 491 491 102 PHE C C 177.111 0.375 1 492 491 102 PHE CA C 56.562 0.469 1 493 491 102 PHE CB C 43.654 0.586 1 494 491 102 PHE N N 115.913 0.156 1 495 492 103 SER H H 8.828 0.007 1 496 492 103 SER C C 174.755 0.375 1 497 492 103 SER CA C 58.398 0.469 1 498 492 103 SER CB C 67.601 0.586 1 499 492 103 SER N N 116.295 0.156 1 500 493 104 LYS H H 8.508 0.007 1 501 493 104 LYS CA C 54.938 0.469 1 502 493 104 LYS CB C 31.645 0.586 1 503 493 104 LYS N N 119.170 0.156 1 504 494 105 PRO C C 177.734 0.375 1 505 494 105 PRO CA C 62.656 0.469 1 506 494 105 PRO CB C 32.167 0.586 1 507 495 106 PHE H H 8.335 0.007 1 508 495 106 PHE C C 173.830 0.375 1 509 495 106 PHE CA C 55.142 0.469 1 510 495 106 PHE CB C 39.983 0.586 1 511 495 106 PHE N N 115.188 0.156 1 512 496 107 MET H H 6.873 0.007 1 513 496 107 MET C C 173.070 0.375 1 514 496 107 MET CA C 56.256 0.469 1 515 496 107 MET CB C 37.013 0.586 1 516 496 107 MET N N 119.953 0.156 1 517 497 108 SER H H 8.165 0.007 1 518 497 108 SER C C 172.650 0.375 1 519 497 108 SER CA C 57.469 0.469 1 520 497 108 SER CB C 64.641 0.586 1 521 497 108 SER N N 119.402 0.156 1 522 498 109 LEU H H 8.157 0.007 1 523 498 109 LEU C C 174.132 0.375 1 524 498 109 LEU CA C 55.069 0.469 1 525 498 109 LEU CB C 41.584 0.586 1 526 498 109 LEU N N 119.397 0.156 1 527 499 110 GLY H H 7.956 0.007 1 528 499 110 GLY C C 172.844 0.375 1 529 499 110 GLY CA C 45.210 0.469 1 530 499 110 GLY N N 104.654 0.156 1 531 500 111 ILE H H 9.305 0.007 1 532 500 111 ILE C C 173.248 0.375 1 533 500 111 ILE CA C 64.700 0.469 1 534 500 111 ILE CB C 37.861 0.586 1 535 500 111 ILE N N 123.813 0.156 1 536 501 112 SER H H 8.929 0.007 1 537 501 112 SER C C 170.933 0.375 1 538 501 112 SER CA C 56.776 0.469 1 539 501 112 SER CB C 68.551 0.586 1 540 501 112 SER N N 121.546 0.156 1 541 502 113 ILE H H 8.388 0.007 1 542 502 113 ILE C C 175.245 0.375 1 543 502 113 ILE CA C 61.191 0.469 1 544 502 113 ILE CB C 39.122 0.586 1 545 502 113 ILE N N 118.114 0.156 1 546 503 114 MET H H 9.408 0.007 1 547 503 114 MET C C 174.748 0.375 1 548 503 114 MET CA C 54.581 0.469 1 549 503 114 MET CB C 37.561 0.586 1 550 503 114 MET N N 130.247 0.156 1 551 504 115 ILE H H 8.455 0.007 1 552 504 115 ILE C C 175.698 0.375 1 553 504 115 ILE CA C 58.480 0.469 1 554 504 115 ILE CB C 42.383 0.586 1 555 504 115 ILE N N 117.101 0.156 1 556 505 116 LYS H H 8.720 0.007 1 557 505 116 LYS C C 177.756 0.375 1 558 505 116 LYS CA C 55.537 0.469 1 559 505 116 LYS CB C 33.431 0.586 1 560 505 116 LYS N N 122.545 0.156 1 561 506 117 LYS H H 8.692 0.007 1 562 506 117 LYS C C 176.895 0.375 1 563 506 117 LYS CA C 60.144 0.469 1 564 506 117 LYS CB C 32.292 0.586 1 565 506 117 LYS N N 130.047 0.156 1 566 507 118 GLY H H 8.768 0.007 1 567 507 118 GLY CA C 44.675 0.469 1 568 507 118 GLY N N 112.775 0.156 1 569 635 123 SER C C 173.995 0.375 1 570 635 123 SER CA C 56.726 0.469 1 571 635 123 SER CB C 66.644 0.586 1 572 636 124 ALA H H 9.332 0.007 1 573 636 124 ALA C C 178.367 0.375 1 574 636 124 ALA CA C 55.231 0.469 1 575 636 124 ALA CB C 17.513 0.586 1 576 636 124 ALA N N 123.210 0.156 1 577 637 125 GLU H H 8.631 0.007 1 578 637 125 GLU C C 179.772 0.375 1 579 637 125 GLU CA C 60.146 0.469 1 580 637 125 GLU CB C 28.445 0.586 1 581 637 125 GLU N N 117.775 0.156 1 582 638 126 ASP H H 7.989 0.007 1 583 638 126 ASP CA C 57.431 0.469 1 584 638 126 ASP CB C 41.002 0.586 1 585 638 126 ASP N N 119.447 0.156 1 586 639 127 LEU C C 178.858 0.375 1 587 639 127 LEU CA C 57.633 0.469 1 588 639 127 LEU CB C 40.759 0.586 1 589 640 128 SER H H 8.051 0.007 1 590 640 128 SER C C 174.831 0.375 1 591 640 128 SER CA C 61.094 0.469 1 592 640 128 SER CB C 64.046 0.586 1 593 640 128 SER N N 111.431 0.156 1 594 641 129 LYS H H 7.078 0.007 1 595 641 129 LYS C C 174.659 0.375 1 596 641 129 LYS CA C 56.579 0.469 1 597 641 129 LYS CB C 33.447 0.586 1 598 641 129 LYS N N 120.117 0.156 1 599 642 130 GLN H H 7.742 0.007 1 600 642 130 GLN C C 174.075 0.375 1 601 642 130 GLN CA C 53.481 0.469 1 602 642 130 GLN CB C 31.182 0.586 1 603 642 130 GLN N N 116.035 0.156 1 604 643 131 THR H H 8.611 0.007 1 605 643 131 THR C C 174.301 0.375 1 606 643 131 THR CA C 61.150 0.469 1 607 643 131 THR CB C 70.586 0.586 1 608 643 131 THR N N 106.427 0.156 1 609 644 132 GLU H H 7.415 0.007 1 610 644 132 GLU C C 176.536 0.375 1 611 644 132 GLU CA C 59.269 0.469 1 612 644 132 GLU CB C 30.536 0.586 1 613 644 132 GLU N N 124.801 0.156 1 614 645 133 ILE H H 9.777 0.007 1 615 645 133 ILE C C 175.924 0.375 1 616 645 133 ILE CA C 60.857 0.469 1 617 645 133 ILE CB C 38.159 0.586 1 618 645 133 ILE N N 121.886 0.156 1 619 646 134 ALA H H 7.916 0.007 1 620 646 134 ALA C C 175.373 0.375 1 621 646 134 ALA CA C 51.418 0.469 1 622 646 134 ALA CB C 21.088 0.586 1 623 646 134 ALA N N 129.904 0.156 1 624 647 135 TYR H H 6.425 0.007 1 625 647 135 TYR C C 172.851 0.375 1 626 647 135 TYR CA C 54.265 0.469 1 627 647 135 TYR CB C 39.334 0.586 1 628 647 135 TYR N N 111.492 0.156 1 629 648 136 GLY H H 6.847 0.007 1 630 648 136 GLY C C 171.510 0.375 1 631 648 136 GLY CA C 45.059 0.469 1 632 648 136 GLY N N 100.434 0.156 1 633 649 137 THR H H 6.488 0.007 1 634 649 137 THR C C 173.536 0.375 1 635 649 137 THR CA C 60.441 0.469 1 636 649 137 THR CB C 71.978 0.586 1 637 649 137 THR N N 105.264 0.156 1 638 650 138 LEU H H 8.983 0.007 1 639 650 138 LEU C C 179.251 0.375 1 640 650 138 LEU CA C 55.831 0.469 1 641 650 138 LEU CB C 43.619 0.586 1 642 650 138 LEU N N 124.061 0.156 1 643 651 139 ASP H H 9.413 0.007 1 644 651 139 ASP C C 176.987 0.375 1 645 651 139 ASP CA C 55.690 0.469 1 646 651 139 ASP CB C 41.598 0.586 1 647 651 139 ASP N N 127.259 0.156 1 648 652 140 SER H H 7.884 0.007 1 649 652 140 SER C C 172.208 0.375 1 650 652 140 SER CA C 59.102 0.469 1 651 652 140 SER CB C 61.538 0.586 1 652 652 140 SER N N 111.598 0.156 1 653 653 141 GLY H H 7.085 0.007 1 654 653 141 GLY C C 174.788 0.375 1 655 653 141 GLY CA C 44.164 0.469 1 656 653 141 GLY N N 104.426 0.156 1 657 654 142 SER H H 9.437 0.007 1 658 654 142 SER C C 178.499 0.375 1 659 654 142 SER CA C 61.368 0.469 1 660 654 142 SER CB C 63.774 0.586 1 661 654 142 SER N N 116.276 0.156 1 662 655 143 THR H H 9.153 0.007 1 663 655 143 THR C C 175.870 0.375 1 664 655 143 THR CA C 68.288 0.469 1 665 655 143 THR CB C 65.660 0.586 1 666 655 143 THR N N 128.486 0.156 1 667 656 144 LYS H H 9.726 0.007 1 668 656 144 LYS C C 178.185 0.375 1 669 656 144 LYS CA C 61.389 0.469 1 670 656 144 LYS CB C 32.728 0.586 1 671 656 144 LYS N N 124.327 0.156 1 672 657 145 GLU H H 7.123 0.007 1 673 657 145 GLU C C 177.716 0.375 1 674 657 145 GLU CA C 58.316 0.469 1 675 657 145 GLU CB C 29.929 0.586 1 676 657 145 GLU N N 114.050 0.156 1 677 658 146 PHE H H 7.995 0.007 1 678 658 146 PHE C C 177.837 0.375 1 679 658 146 PHE CA C 61.087 0.469 1 680 658 146 PHE CB C 38.621 0.586 1 681 658 146 PHE N N 119.986 0.156 1 682 659 147 PHE H H 7.379 0.007 1 683 659 147 PHE C C 175.589 0.375 1 684 659 147 PHE CA C 63.636 0.469 1 685 659 147 PHE CB C 40.299 0.586 1 686 659 147 PHE N N 116.243 0.156 1 687 660 148 ARG H H 7.502 0.007 1 688 660 148 ARG C C 176.940 0.375 1 689 660 148 ARG CA C 58.023 0.469 1 690 660 148 ARG CB C 29.916 0.586 1 691 660 148 ARG N N 118.820 0.156 1 692 661 149 ARG H H 7.074 0.007 1 693 661 149 ARG C C 176.982 0.375 1 694 661 149 ARG CA C 55.128 0.469 1 695 661 149 ARG CB C 30.565 0.586 1 696 661 149 ARG N N 111.609 0.156 1 697 662 150 SER H H 6.921 0.007 1 698 662 150 SER C C 176.376 0.375 1 699 662 150 SER CA C 60.466 0.469 1 700 662 150 SER CB C 63.441 0.586 1 701 662 150 SER N N 114.426 0.156 1 702 663 151 LYS H H 8.832 0.007 1 703 663 151 LYS C C 176.872 0.375 1 704 663 151 LYS CA C 55.042 0.469 1 705 663 151 LYS CB C 32.052 0.586 1 706 663 151 LYS N N 124.920 0.156 1 707 664 152 ILE H H 8.113 0.007 1 708 664 152 ILE C C 177.403 0.375 1 709 664 152 ILE CA C 60.663 0.469 1 710 664 152 ILE CB C 37.259 0.586 1 711 664 152 ILE N N 124.627 0.156 1 712 665 153 ALA H H 8.704 0.007 1 713 665 153 ALA C C 180.286 0.375 1 714 665 153 ALA CA C 56.711 0.469 1 715 665 153 ALA CB C 18.139 0.586 1 716 665 153 ALA N N 131.833 0.156 1 717 666 154 VAL H H 8.104 0.007 1 718 666 154 VAL C C 176.477 0.375 1 719 666 154 VAL CA C 66.271 0.469 1 720 666 154 VAL CB C 31.380 0.586 1 721 666 154 VAL N N 116.454 0.156 1 722 667 155 PHE H H 6.297 0.007 1 723 667 155 PHE C C 178.084 0.375 1 724 667 155 PHE CA C 57.589 0.469 1 725 667 155 PHE CB C 35.810 0.586 1 726 667 155 PHE N N 119.804 0.156 1 727 668 156 ASP H H 8.836 0.007 1 728 668 156 ASP C C 179.343 0.375 1 729 668 156 ASP CA C 56.964 0.469 1 730 668 156 ASP CB C 41.142 0.586 1 731 668 156 ASP N N 122.092 0.156 1 732 669 157 LYS H H 8.473 0.007 1 733 669 157 LYS C C 180.087 0.375 1 734 669 157 LYS CA C 59.963 0.469 1 735 669 157 LYS CB C 32.426 0.586 1 736 669 157 LYS N N 122.420 0.156 1 737 670 158 MET H H 8.132 0.007 1 738 670 158 MET C C 178.304 0.375 1 739 670 158 MET CA C 58.905 0.469 1 740 670 158 MET CB C 34.109 0.586 1 741 670 158 MET N N 118.955 0.156 1 742 671 159 TRP H H 9.308 0.007 1 743 671 159 TRP HE1 H 10.245 0.007 1 744 671 159 TRP C C 176.480 0.375 1 745 671 159 TRP CA C 59.838 0.469 1 746 671 159 TRP CB C 30.572 0.586 1 747 671 159 TRP N N 121.959 0.156 1 748 671 159 TRP NE1 N 127.983 0.156 1 749 672 160 THR H H 8.692 0.007 1 750 672 160 THR C C 176.564 0.375 1 751 672 160 THR CA C 67.138 0.469 1 752 672 160 THR CB C 68.703 0.586 1 753 672 160 THR N N 113.828 0.156 1 754 673 161 TYR H H 7.698 0.007 1 755 673 161 TYR C C 177.229 0.375 1 756 673 161 TYR CA C 60.917 0.469 1 757 673 161 TYR CB C 37.680 0.586 1 758 673 161 TYR N N 121.271 0.156 1 759 674 162 MET H H 8.592 0.007 1 760 674 162 MET C C 177.538 0.375 1 761 674 162 MET CA C 59.887 0.469 1 762 674 162 MET CB C 34.278 0.586 1 763 674 162 MET N N 119.924 0.156 1 764 675 163 ARG H H 8.323 0.007 1 765 675 163 ARG C C 176.976 0.375 1 766 675 163 ARG CA C 58.077 0.469 1 767 675 163 ARG CB C 28.321 0.586 1 768 675 163 ARG N N 113.867 0.156 1 769 676 164 SER H H 6.728 0.007 1 770 676 164 SER C C 173.755 0.375 1 771 676 164 SER CA C 57.839 0.469 1 772 676 164 SER CB C 64.909 0.586 1 773 676 164 SER N N 111.375 0.156 1 774 677 165 ALA H H 6.830 0.007 1 775 677 165 ALA C C 176.691 0.375 1 776 677 165 ALA CA C 53.691 0.469 1 777 677 165 ALA CB C 18.742 0.586 1 778 677 165 ALA N N 126.399 0.156 1 779 678 166 GLU H H 8.124 0.007 1 780 678 166 GLU CA C 53.428 0.469 1 781 678 166 GLU CB C 32.688 0.586 1 782 678 166 GLU N N 121.814 0.156 1 783 679 167 PRO C C 175.854 0.375 1 784 679 167 PRO CA C 62.725 0.469 1 785 679 167 PRO CB C 34.566 0.586 1 786 680 168 SER H H 8.498 0.007 1 787 680 168 SER CA C 58.346 0.469 1 788 680 168 SER CB C 64.042 0.586 1 789 680 168 SER N N 111.808 0.156 1 790 681 169 VAL C C 175.161 0.375 1 791 681 169 VAL CA C 61.841 0.469 1 792 681 169 VAL CB C 30.602 0.586 1 793 682 170 PHE H H 7.943 0.007 1 794 682 170 PHE C C 175.878 0.375 1 795 682 170 PHE CA C 57.735 0.469 1 796 682 170 PHE CB C 40.320 0.586 1 797 682 170 PHE N N 121.851 0.156 1 798 683 171 VAL H H 7.959 0.007 1 799 683 171 VAL C C 175.822 0.375 1 800 683 171 VAL CA C 59.141 0.469 1 801 683 171 VAL CB C 35.145 0.586 1 802 683 171 VAL N N 111.948 0.156 1 803 684 172 ARG H H 8.873 0.007 1 804 684 172 ARG C C 177.760 0.375 1 805 684 172 ARG CA C 58.257 0.469 1 806 684 172 ARG CB C 31.711 0.586 1 807 684 172 ARG N N 119.803 0.156 1 808 685 173 THR H H 7.272 0.007 1 809 685 173 THR C C 174.039 0.375 1 810 685 173 THR CA C 59.195 0.469 1 811 685 173 THR CB C 72.929 0.586 1 812 685 173 THR N N 106.391 0.156 1 813 686 174 ALA H H 9.477 0.007 1 814 686 174 ALA C C 180.583 0.375 1 815 686 174 ALA CA C 55.261 0.469 1 816 686 174 ALA CB C 18.138 0.586 1 817 686 174 ALA N N 126.591 0.156 1 818 687 175 ALA H H 9.066 0.007 1 819 687 175 ALA C C 181.280 0.375 1 820 687 175 ALA CA C 55.213 0.469 1 821 687 175 ALA CB C 17.955 0.586 1 822 687 175 ALA N N 119.241 0.156 1 823 688 176 GLU H H 7.893 0.007 1 824 688 176 GLU C C 179.549 0.375 1 825 688 176 GLU CA C 59.047 0.469 1 826 688 176 GLU CB C 30.261 0.586 1 827 688 176 GLU N N 119.646 0.156 1 828 689 177 GLY H H 7.699 0.007 1 829 689 177 GLY C C 174.288 0.375 1 830 689 177 GLY CA C 47.552 0.469 1 831 689 177 GLY N N 109.515 0.156 1 832 690 178 VAL H H 8.172 0.007 1 833 690 178 VAL C C 178.166 0.375 1 834 690 178 VAL CA C 66.392 0.469 1 835 690 178 VAL CB C 30.783 0.586 1 836 690 178 VAL N N 121.335 0.156 1 837 691 179 ALA H H 8.060 0.007 1 838 691 179 ALA C C 179.763 0.375 1 839 691 179 ALA CA C 55.093 0.469 1 840 691 179 ALA CB C 17.788 0.586 1 841 691 179 ALA N N 120.653 0.156 1 842 692 180 ARG H H 7.911 0.007 1 843 692 180 ARG C C 180.105 0.375 1 844 692 180 ARG CA C 59.804 0.469 1 845 692 180 ARG N N 119.493 0.156 1 846 693 181 VAL H H 8.167 0.007 1 847 693 181 VAL C C 179.355 0.375 1 848 693 181 VAL CA C 66.740 0.469 1 849 693 181 VAL N N 122.327 0.156 1 850 694 182 ARG H H 8.044 0.007 1 851 694 182 ARG C C 179.629 0.375 1 852 694 182 ARG CA C 60.848 0.469 1 853 694 182 ARG N N 117.530 0.156 1 854 695 183 LYS H H 8.640 0.007 1 855 695 183 LYS C C 178.085 0.375 1 856 695 183 LYS CA C 57.662 0.469 1 857 695 183 LYS CB C 32.947 0.586 1 858 695 183 LYS N N 118.295 0.156 1 859 696 184 SER H H 7.539 0.007 1 860 696 184 SER C C 176.230 0.375 1 861 696 184 SER CA C 59.856 0.469 1 862 696 184 SER CB C 64.059 0.586 1 863 696 184 SER N N 112.203 0.156 1 864 697 185 LYS H H 8.620 0.007 1 865 697 185 LYS C C 175.544 0.375 1 866 697 185 LYS CA C 57.821 0.469 1 867 697 185 LYS CB C 29.904 0.586 1 868 697 185 LYS N N 119.132 0.156 1 869 698 186 GLY H H 8.153 0.007 1 870 698 186 GLY C C 175.108 0.375 1 871 698 186 GLY CA C 45.668 0.469 1 872 698 186 GLY N N 104.261 0.156 1 873 699 187 LYS H H 7.367 0.007 1 874 699 187 LYS C C 175.126 0.375 1 875 699 187 LYS CA C 55.617 0.469 1 876 699 187 LYS CB C 31.130 0.586 1 877 699 187 LYS N N 115.245 0.156 1 878 700 188 TYR H H 7.675 0.007 1 879 700 188 TYR C C 173.258 0.375 1 880 700 188 TYR CA C 57.588 0.469 1 881 700 188 TYR CB C 42.351 0.586 1 882 700 188 TYR N N 121.571 0.156 1 883 701 189 ALA H H 8.721 0.007 1 884 701 189 ALA C C 172.841 0.375 1 885 701 189 ALA CA C 50.153 0.469 1 886 701 189 ALA CB C 21.572 0.586 1 887 701 189 ALA N N 133.107 0.156 1 888 702 190 TYR H H 8.286 0.007 1 889 702 190 TYR C C 173.328 0.375 1 890 702 190 TYR CA C 54.128 0.469 1 891 702 190 TYR CB C 43.187 0.586 1 892 702 190 TYR N N 119.721 0.156 1 893 703 191 LEU H H 8.257 0.007 1 894 703 191 LEU C C 173.950 0.375 1 895 703 191 LEU CA C 53.393 0.469 1 896 703 191 LEU CB C 41.135 0.586 1 897 703 191 LEU N N 128.994 0.156 1 898 704 192 LEU H H 8.520 0.007 1 899 704 192 LEU C C 175.459 0.375 1 900 704 192 LEU CA C 53.965 0.469 1 901 704 192 LEU CB C 42.495 0.586 1 902 704 192 LEU N N 123.710 0.156 1 903 705 193 GLU H H 10.122 0.007 1 904 705 193 GLU C C 179.247 0.375 1 905 705 193 GLU CA C 57.491 0.469 1 906 705 193 GLU CB C 29.035 0.586 1 907 705 193 GLU N N 124.385 0.156 1 908 706 194 SER H H 9.735 0.007 1 909 706 194 SER C C 175.030 0.375 1 910 706 194 SER CA C 62.407 0.469 1 911 706 194 SER CB C 61.668 0.586 1 912 706 194 SER N N 119.613 0.156 1 913 707 195 THR H H 7.321 0.007 1 914 707 195 THR C C 177.850 0.375 1 915 707 195 THR CA C 62.987 0.469 1 916 707 195 THR CB C 67.501 0.586 1 917 707 195 THR N N 111.147 0.156 1 918 708 196 MET H H 7.371 0.007 1 919 708 196 MET C C 177.465 0.375 1 920 708 196 MET CA C 59.349 0.469 1 921 708 196 MET CB C 32.692 0.586 1 922 708 196 MET N N 122.047 0.156 1 923 709 197 ASN H H 8.076 0.007 1 924 709 197 ASN C C 177.146 0.375 1 925 709 197 ASN CA C 56.191 0.469 1 926 709 197 ASN CB C 39.855 0.586 1 927 709 197 ASN N N 118.789 0.156 1 928 710 198 GLU H H 8.921 0.007 1 929 710 198 GLU C C 178.358 0.375 1 930 710 198 GLU CA C 59.096 0.469 1 931 710 198 GLU CB C 29.906 0.586 1 932 710 198 GLU N N 115.656 0.156 1 933 711 199 TYR H H 7.334 0.007 1 934 711 199 TYR C C 177.230 0.375 1 935 711 199 TYR CA C 61.614 0.469 1 936 711 199 TYR CB C 38.192 0.586 1 937 711 199 TYR N N 117.868 0.156 1 938 712 200 ILE H H 7.966 0.007 1 939 712 200 ILE C C 179.202 0.375 1 940 712 200 ILE CA C 62.678 0.469 1 941 712 200 ILE CB C 37.581 0.586 1 942 712 200 ILE N N 118.453 0.156 1 943 713 201 GLU H H 8.219 0.007 1 944 713 201 GLU C C 176.230 0.375 1 945 713 201 GLU CA C 58.584 0.469 1 946 713 201 GLU CB C 29.599 0.586 1 947 713 201 GLU N N 119.144 0.156 1 948 714 202 GLN H H 6.927 0.007 1 949 714 202 GLN C C 174.689 0.375 1 950 714 202 GLN CA C 54.773 0.469 1 951 714 202 GLN CB C 28.818 0.586 1 952 714 202 GLN N N 111.814 0.156 1 953 715 203 ARG H H 7.528 0.007 1 954 715 203 ARG C C 176.590 0.375 1 955 715 203 ARG CA C 53.639 0.469 1 956 715 203 ARG CB C 32.995 0.586 1 957 715 203 ARG N N 119.889 0.156 1 958 716 204 LYS H H 9.134 0.007 1 959 716 204 LYS CA C 56.216 0.469 1 960 716 204 LYS N N 122.765 0.156 1 961 718 206 CYS C C 175.845 0.375 1 962 718 206 CYS CA C 56.190 0.469 1 963 718 206 CYS CB C 37.140 0.586 1 964 719 207 ASP H H 8.726 0.007 1 965 719 207 ASP C C 176.325 0.375 1 966 719 207 ASP CA C 53.252 0.469 1 967 719 207 ASP CB C 41.334 0.586 1 968 719 207 ASP N N 116.614 0.156 1 969 720 208 THR H H 7.842 0.007 1 970 720 208 THR C C 173.212 0.375 1 971 720 208 THR CA C 60.069 0.469 1 972 720 208 THR CB C 72.653 0.586 1 973 720 208 THR N N 110.871 0.156 1 974 721 209 MET H H 8.951 0.007 1 975 721 209 MET C C 173.045 0.375 1 976 721 209 MET CA C 54.863 0.469 1 977 721 209 MET CB C 37.010 0.586 1 978 721 209 MET N N 115.687 0.156 1 979 722 210 LYS H H 8.163 0.007 1 980 722 210 LYS C C 176.609 0.375 1 981 722 210 LYS CA C 54.746 0.469 1 982 722 210 LYS CB C 33.849 0.586 1 983 722 210 LYS N N 123.775 0.156 1 984 723 211 VAL H H 7.951 0.007 1 985 723 211 VAL C C 175.612 0.375 1 986 723 211 VAL CA C 60.045 0.469 1 987 723 211 VAL CB C 34.476 0.586 1 988 723 211 VAL N N 121.879 0.156 1 989 724 212 GLY H H 8.620 0.007 1 990 724 212 GLY C C 174.063 0.375 1 991 724 212 GLY CA C 45.208 0.469 1 992 724 212 GLY N N 112.891 0.156 1 993 725 213 GLY H H 8.127 0.007 1 994 725 213 GLY C C 174.013 0.375 1 995 725 213 GLY CA C 43.982 0.469 1 996 725 213 GLY N N 106.834 0.156 1 997 726 214 ASN H H 8.578 0.007 1 998 726 214 ASN C C 177.801 0.375 1 999 726 214 ASN CA C 52.055 0.469 1 1000 726 214 ASN CB C 37.829 0.586 1 1001 726 214 ASN N N 119.976 0.156 1 1002 727 215 LEU H H 9.342 0.007 1 1003 727 215 LEU C C 175.079 0.375 1 1004 727 215 LEU CA C 56.349 0.469 1 1005 727 215 LEU CB C 41.635 0.586 1 1006 727 215 LEU N N 121.282 0.156 1 1007 728 216 ASP H H 7.426 0.007 1 1008 728 216 ASP C C 174.177 0.375 1 1009 728 216 ASP CA C 52.241 0.469 1 1010 728 216 ASP CB C 40.736 0.586 1 1011 728 216 ASP N N 116.202 0.156 1 1012 729 217 SER H H 7.758 0.007 1 1013 729 217 SER C C 173.158 0.375 1 1014 729 217 SER CA C 57.575 0.469 1 1015 729 217 SER CB C 63.949 0.586 1 1016 729 217 SER N N 110.834 0.156 1 1017 730 218 LYS H H 9.021 0.007 1 1018 730 218 LYS C C 173.591 0.375 1 1019 730 218 LYS CA C 55.190 0.469 1 1020 730 218 LYS CB C 33.707 0.586 1 1021 730 218 LYS N N 125.459 0.156 1 1022 731 219 GLY H H 7.711 0.007 1 1023 731 219 GLY C C 171.937 0.375 1 1024 731 219 GLY CA C 44.899 0.469 1 1025 731 219 GLY N N 105.865 0.156 1 1026 732 220 TYR H H 7.119 0.007 1 1027 732 220 TYR C C 175.791 0.375 1 1028 732 220 TYR CA C 52.895 0.469 1 1029 732 220 TYR CB C 40.406 0.586 1 1030 732 220 TYR N N 116.788 0.156 1 1031 733 221 GLY H H 8.050 0.007 1 1032 733 221 GLY C C 172.376 0.375 1 1033 733 221 GLY CA C 44.044 0.469 1 1034 733 221 GLY N N 104.074 0.156 1 1035 734 222 ILE H H 8.808 0.007 1 1036 734 222 ILE C C 176.190 0.375 1 1037 734 222 ILE CA C 61.121 0.469 1 1038 734 222 ILE CB C 36.805 0.586 1 1039 734 222 ILE N N 120.257 0.156 1 1040 735 223 ALA H H 7.990 0.007 1 1041 735 223 ALA C C 175.387 0.375 1 1042 735 223 ALA CA C 49.960 0.469 1 1043 735 223 ALA CB C 24.052 0.586 1 1044 735 223 ALA N N 130.719 0.156 1 1045 736 224 THR H H 8.722 0.007 1 1046 736 224 THR CA C 57.360 0.469 1 1047 736 224 THR CB C 68.902 0.586 1 1048 736 224 THR N N 110.997 0.156 1 1049 737 225 PRO C C 178.464 0.375 1 1050 737 225 PRO CA C 61.802 0.469 1 1051 737 225 PRO CB C 31.592 0.586 1 1052 738 226 LYS H H 9.392 0.007 1 1053 738 226 LYS C C 178.475 0.375 1 1054 738 226 LYS CA C 57.195 0.469 1 1055 738 226 LYS CB C 31.197 0.586 1 1056 738 226 LYS N N 123.997 0.156 1 1057 739 227 GLY H H 9.311 0.007 1 1058 739 227 GLY C C 174.572 0.375 1 1059 739 227 GLY CA C 45.087 0.469 1 1060 739 227 GLY N N 111.328 0.156 1 1061 740 228 SER H H 7.241 0.007 1 1062 740 228 SER C C 178.245 0.375 1 1063 740 228 SER CA C 58.497 0.469 1 1064 740 228 SER CB C 64.435 0.586 1 1065 740 228 SER N N 111.962 0.156 1 1066 741 229 SER H H 9.395 0.007 1 1067 741 229 SER C C 175.412 0.375 1 1068 741 229 SER CA C 60.571 0.469 1 1069 741 229 SER CB C 62.803 0.586 1 1070 741 229 SER N N 126.622 0.156 1 1071 742 230 LEU H H 8.670 0.007 1 1072 742 230 LEU C C 176.904 0.375 1 1073 742 230 LEU CA C 55.113 0.469 1 1074 742 230 LEU CB C 42.796 0.586 1 1075 742 230 LEU N N 120.443 0.156 1 1076 743 231 ARG H H 6.855 0.007 1 1077 743 231 ARG C C 178.853 0.375 1 1078 743 231 ARG CA C 61.708 0.469 1 1079 743 231 ARG CB C 30.941 0.586 1 1080 743 231 ARG N N 119.301 0.156 1 1081 744 232 THR H H 9.142 0.007 1 1082 744 232 THR CA C 68.582 0.469 1 1083 744 232 THR CB C 66.522 0.586 1 1084 744 232 THR N N 116.135 0.156 1 1085 745 233 PRO C C 179.532 0.375 1 1086 745 233 PRO CA C 66.558 0.469 1 1087 745 233 PRO CB C 31.021 0.586 1 1088 746 234 VAL H H 8.194 0.007 1 1089 746 234 VAL C C 176.991 0.375 1 1090 746 234 VAL CA C 66.736 0.469 1 1091 746 234 VAL CB C 31.218 0.586 1 1092 746 234 VAL N N 116.038 0.156 1 1093 747 235 ASN H H 7.803 0.007 1 1094 747 235 ASN C C 177.645 0.375 1 1095 747 235 ASN CA C 57.666 0.469 1 1096 747 235 ASN CB C 38.938 0.586 1 1097 747 235 ASN N N 120.048 0.156 1 1098 748 236 LEU H H 8.231 0.007 1 1099 748 236 LEU C C 179.676 0.375 1 1100 748 236 LEU CA C 57.820 0.469 1 1101 748 236 LEU CB C 41.378 0.586 1 1102 748 236 LEU N N 116.723 0.156 1 1103 749 237 ALA H H 8.077 0.007 1 1104 749 237 ALA C C 178.790 0.375 1 1105 749 237 ALA CA C 55.212 0.469 1 1106 749 237 ALA CB C 18.934 0.586 1 1107 749 237 ALA N N 121.469 0.156 1 1108 750 238 VAL H H 8.273 0.007 1 1109 750 238 VAL C C 177.904 0.375 1 1110 750 238 VAL CA C 68.499 0.469 1 1111 750 238 VAL CB C 31.614 0.586 1 1112 750 238 VAL N N 118.635 0.156 1 1113 751 239 LEU H H 8.032 0.007 1 1114 751 239 LEU C C 179.676 0.375 1 1115 751 239 LEU CA C 58.564 0.469 1 1116 751 239 LEU CB C 41.400 0.586 1 1117 751 239 LEU N N 119.592 0.156 1 1118 752 240 LYS H H 8.065 0.007 1 1119 752 240 LYS CA C 58.709 0.469 1 1120 752 240 LYS CB C 31.369 0.586 1 1121 752 240 LYS N N 120.649 0.156 1 1122 753 241 LEU H H 8.603 0.007 1 1123 753 241 LEU C C 180.383 0.375 1 1124 753 241 LEU CA C 57.870 0.469 1 1125 753 241 LEU CB C 41.693 0.586 1 1126 753 241 LEU N N 118.446 0.156 1 1127 754 242 SER H H 8.446 0.007 1 1128 754 242 SER C C 178.940 0.375 1 1129 754 242 SER CA C 60.996 0.469 1 1130 754 242 SER CB C 63.510 0.586 1 1131 754 242 SER N N 113.949 0.156 1 1132 755 243 GLU H H 8.385 0.007 1 1133 755 243 GLU C C 178.562 0.375 1 1134 755 243 GLU CA C 59.316 0.469 1 1135 755 243 GLU CB C 29.622 0.586 1 1136 755 243 GLU N N 122.867 0.156 1 1137 756 244 GLN H H 8.269 0.007 1 1138 756 244 GLN C C 176.791 0.375 1 1139 756 244 GLN CA C 56.315 0.469 1 1140 756 244 GLN CB C 29.741 0.586 1 1141 756 244 GLN N N 114.463 0.156 1 1142 757 245 GLY H H 7.817 0.007 1 1143 757 245 GLY C C 175.600 0.375 1 1144 757 245 GLY CA C 45.956 0.469 1 1145 757 245 GLY N N 106.916 0.156 1 1146 758 246 VAL H H 8.042 0.007 1 1147 758 246 VAL C C 177.726 0.375 1 1148 758 246 VAL CA C 65.811 0.469 1 1149 758 246 VAL CB C 32.308 0.586 1 1150 758 246 VAL N N 121.046 0.156 1 1151 759 247 LEU H H 7.187 0.007 1 1152 759 247 LEU C C 180.377 0.375 1 1153 759 247 LEU CA C 58.438 0.469 1 1154 759 247 LEU CB C 38.966 0.586 1 1155 759 247 LEU N N 115.860 0.156 1 1156 760 248 ASP H H 7.754 0.007 1 1157 760 248 ASP C C 178.266 0.375 1 1158 760 248 ASP CA C 57.665 0.469 1 1159 760 248 ASP CB C 40.500 0.586 1 1160 760 248 ASP N N 120.490 0.156 1 1161 761 249 LYS H H 7.758 0.007 1 1162 761 249 LYS C C 180.350 0.375 1 1163 761 249 LYS CA C 59.944 0.469 1 1164 761 249 LYS CB C 32.335 0.586 1 1165 761 249 LYS N N 120.643 0.156 1 1166 762 250 LEU H H 8.665 0.007 1 1167 762 250 LEU C C 179.615 0.375 1 1168 762 250 LEU CA C 58.057 0.469 1 1169 762 250 LEU CB C 43.395 0.586 1 1170 762 250 LEU N N 119.761 0.156 1 1171 763 251 LYS H H 8.320 0.007 1 1172 763 251 LYS C C 178.790 0.375 1 1173 763 251 LYS CA C 59.961 0.469 1 1174 763 251 LYS CB C 31.041 0.586 1 1175 763 251 LYS N N 121.640 0.156 1 1176 764 252 ASN H H 8.293 0.007 1 1177 764 252 ASN C C 177.041 0.375 1 1178 764 252 ASN CA C 56.765 0.469 1 1179 764 252 ASN CB C 38.070 0.586 1 1180 764 252 ASN N N 117.669 0.156 1 1181 765 253 LYS H H 8.122 0.007 1 1182 765 253 LYS C C 178.001 0.375 1 1183 765 253 LYS CA C 59.278 0.469 1 1184 765 253 LYS CB C 33.474 0.586 1 1185 765 253 LYS N N 119.000 0.156 1 1186 766 254 TRP H H 7.737 0.007 1 1187 766 254 TRP HE1 H 10.885 0.007 1 1188 766 254 TRP C C 175.783 0.375 1 1189 766 254 TRP CA C 58.981 0.469 1 1190 766 254 TRP CB C 30.797 0.586 1 1191 766 254 TRP N N 115.347 0.156 1 1192 766 254 TRP NE1 N 130.085 0.156 1 1193 767 255 TRP H H 9.037 0.007 1 1194 767 255 TRP HE1 H 10.289 0.007 1 1195 767 255 TRP C C 177.210 0.375 1 1196 767 255 TRP CA C 61.020 0.469 1 1197 767 255 TRP CB C 30.419 0.586 1 1198 767 255 TRP N N 120.290 0.156 1 1199 767 255 TRP NE1 N 127.197 0.156 1 1200 768 256 TYR H H 7.282 0.007 1 1201 768 256 TYR C C 176.626 0.375 1 1202 768 256 TYR CA C 59.147 0.469 1 1203 768 256 TYR CB C 38.858 0.586 1 1204 768 256 TYR N N 118.620 0.156 1 1205 769 257 ASP H H 8.551 0.007 1 1206 769 257 ASP C C 176.254 0.375 1 1207 769 257 ASP CA C 55.225 0.469 1 1208 769 257 ASP CB C 40.611 0.586 1 1209 769 257 ASP N N 123.394 0.156 1 1210 770 258 LYS H H 8.055 0.007 1 1211 770 258 LYS C C 176.769 0.375 1 1212 770 258 LYS CA C 55.703 0.469 1 1213 770 258 LYS CB C 32.742 0.586 1 1214 770 258 LYS N N 120.222 0.156 1 1215 771 259 GLY H H 8.293 0.007 1 1216 771 259 GLY C C 175.659 0.375 1 1217 771 259 GLY CA C 46.441 0.469 1 1218 771 259 GLY N N 108.706 0.156 1 1219 772 260 GLU H H 8.486 0.007 1 1220 772 260 GLU C C 177.038 0.375 1 1221 772 260 GLU CA C 57.182 0.469 1 1222 772 260 GLU CB C 31.663 0.586 1 1223 772 260 GLU N N 119.389 0.156 1 1224 773 261 CYS H H 8.413 0.007 1 1225 773 261 CYS C C 175.828 0.375 1 1226 773 261 CYS CA C 53.420 0.469 1 1227 773 261 CYS CB C 39.453 0.586 1 1228 773 261 CYS N N 116.793 0.156 1 1229 774 262 GLY H H 8.278 0.007 1 1230 774 262 GLY C C 172.839 0.375 1 1231 774 262 GLY CA C 45.368 0.469 1 1232 774 262 GLY N N 110.821 0.156 1 1233 775 263 ALA H H 7.942 0.007 1 1234 775 263 ALA CA C 53.725 0.469 1 1235 775 263 ALA CB C 20.146 0.586 1 1236 775 263 ALA N N 129.312 0.156 1 stop_ save_