################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27143 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' . . isotropic 27143 1 2 '3D HNCACB' . . isotropic 27143 1 3 CBCA(CO)NH . . isotropic 27143 1 4 '3D HNCO' . . isotropic 27143 1 5 '3D HCCH-TOCSY' . . isotropic 27143 1 6 'Aliphatic 1H-13C HSQC' . . isotropic 27143 1 7 'Aromatic 1H-13C HSQC' . . isotropic 27143 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27143 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.438 0.002 . 1 . . 513 . . 2 PRO HA . 27143 1 2 . 1 1 2 2 PRO HB2 H 1 1.918 0.006 . 2 . . 514 . . 2 PRO HB2 . 27143 1 3 . 1 1 2 2 PRO HB3 H 1 2.271 0.001 . 2 . . 515 . . 2 PRO HB3 . 27143 1 4 . 1 1 2 2 PRO HG2 H 1 1.967 0.002 . 1 . . 516 . . 2 PRO HG2 . 27143 1 5 . 1 1 2 2 PRO HD2 H 1 3.541 0.001 . 1 . . 519 . . 2 PRO HD2 . 27143 1 6 . 1 1 2 2 PRO C C 13 176.443 . . 1 . . 365 . . 2 PRO C . 27143 1 7 . 1 1 2 2 PRO CA C 13 62.822 0.021 . 1 . . 325 . . 2 PRO CA . 27143 1 8 . 1 1 2 2 PRO CB C 13 32.269 0.031 . 1 . . 326 . . 2 PRO CB . 27143 1 9 . 1 1 2 2 PRO CG C 13 27.035 0.009 . 1 . . 517 . . 2 PRO CG . 27143 1 10 . 1 1 2 2 PRO CD C 13 49.668 0.023 . 1 . . 518 . . 2 PRO CD . 27143 1 11 . 1 1 3 3 ALA H H 1 8.549 0.001 . 1 . . 94 . . 3 ALA H . 27143 1 12 . 1 1 3 3 ALA HA H 1 4.277 0.001 . 1 . . 503 . . 3 ALA HA . 27143 1 13 . 1 1 3 3 ALA HB1 H 1 1.357 0.002 . 1 . . 504 . . 3 ALA HB1 . 27143 1 14 . 1 1 3 3 ALA HB2 H 1 1.357 0.002 . 1 . . 504 . . 3 ALA HB2 . 27143 1 15 . 1 1 3 3 ALA HB3 H 1 1.357 0.002 . 1 . . 504 . . 3 ALA HB3 . 27143 1 16 . 1 1 3 3 ALA C C 13 177.765 . . 1 . . 366 . . 3 ALA C . 27143 1 17 . 1 1 3 3 ALA CA C 13 52.387 0.024 . 1 . . 230 . . 3 ALA CA . 27143 1 18 . 1 1 3 3 ALA CB C 13 19.145 0.022 . 1 . . 229 . . 3 ALA CB . 27143 1 19 . 1 1 3 3 ALA N N 15 124.638 0.007 . 1 . . 95 . . 3 ALA N . 27143 1 20 . 1 1 4 4 MET H H 1 8.379 0.001 . 1 . . 112 . . 4 MET H . 27143 1 21 . 1 1 4 4 MET HA H 1 4.412 0.001 . 1 . . 735 . . 4 MET HA . 27143 1 22 . 1 1 4 4 MET HB2 H 1 1.956 0.002 . 2 . . 738 . . 4 MET HB2 . 27143 1 23 . 1 1 4 4 MET HB3 H 1 2.018 0.006 . 2 . . 739 . . 4 MET HB3 . 27143 1 24 . 1 1 4 4 MET HG2 H 1 2.505 0.002 . 2 . . 736 . . 4 MET HG2 . 27143 1 25 . 1 1 4 4 MET HG3 H 1 2.565 0.003 . 2 . . 737 . . 4 MET HG3 . 27143 1 26 . 1 1 4 4 MET C C 13 175.895 . . 1 . . 367 . . 4 MET C . 27143 1 27 . 1 1 4 4 MET CA C 13 55.484 0.013 . 1 . . 227 . . 4 MET CA . 27143 1 28 . 1 1 4 4 MET CB C 13 32.904 0.015 . 1 . . 228 . . 4 MET CB . 27143 1 29 . 1 1 4 4 MET CG C 13 31.928 0.014 . 1 . . 740 . . 4 MET CG . 27143 1 30 . 1 1 4 4 MET N N 15 119.821 0.01 . 1 . . 113 . . 4 MET N . 27143 1 31 . 1 1 5 5 THR H H 1 7.887 0.001 . 1 . . 37 . . 5 THR H . 27143 1 32 . 1 1 5 5 THR HA H 1 3.882 0.002 . 1 . . 488 . . 5 THR HA . 27143 1 33 . 1 1 5 5 THR HB H 1 3.664 0.002 . 1 . . 487 . . 5 THR HB . 27143 1 34 . 1 1 5 5 THR HG21 H 1 0.815 0.002 . 1 . . 489 . . 5 THR HG21 . 27143 1 35 . 1 1 5 5 THR HG22 H 1 0.815 0.002 . 1 . . 489 . . 5 THR HG22 . 27143 1 36 . 1 1 5 5 THR HG23 H 1 0.815 0.002 . 1 . . 489 . . 5 THR HG23 . 27143 1 37 . 1 1 5 5 THR C C 13 173.036 . . 1 . . 368 . . 5 THR C . 27143 1 38 . 1 1 5 5 THR CA C 13 62.028 0.027 . 1 . . 226 . . 5 THR CA . 27143 1 39 . 1 1 5 5 THR CB C 13 69.456 0.024 . 1 . . 225 . . 5 THR CB . 27143 1 40 . 1 1 5 5 THR CG2 C 13 21.778 0.014 . 1 . . 490 . . 5 THR CG2 . 27143 1 41 . 1 1 5 5 THR N N 15 115.463 0.009 . 1 . . 38 . . 5 THR N . 27143 1 42 . 1 1 6 6 ASP H H 1 8.199 0.001 . 1 . . 153 . . 6 ASP H . 27143 1 43 . 1 1 6 6 ASP HA H 1 4.532 0.001 . 1 . . 541 . . 6 ASP HA . 27143 1 44 . 1 1 6 6 ASP HB2 H 1 2.414 0.001 . 2 . . 542 . . 6 ASP HB2 . 27143 1 45 . 1 1 6 6 ASP HB3 H 1 2.881 0.001 . 2 . . 543 . . 6 ASP HB3 . 27143 1 46 . 1 1 6 6 ASP C C 13 176.109 . . 1 . . 369 . . 6 ASP C . 27143 1 47 . 1 1 6 6 ASP CA C 13 52.466 0.007 . 1 . . 223 . . 6 ASP CA . 27143 1 48 . 1 1 6 6 ASP CB C 13 40.162 0.041 . 1 . . 224 . . 6 ASP CB . 27143 1 49 . 1 1 6 6 ASP N N 15 124.795 0.015 . 1 . . 154 . . 6 ASP N . 27143 1 50 . 1 1 7 7 TYR H H 1 7.637 0.001 . 1 . . 128 . . 7 TYR H . 27143 1 51 . 1 1 7 7 TYR HA H 1 4.117 0.003 . 1 . . 717 . . 7 TYR HA . 27143 1 52 . 1 1 7 7 TYR HB2 H 1 2.916 0.001 . 2 . . 718 . . 7 TYR HB2 . 27143 1 53 . 1 1 7 7 TYR HB3 H 1 3.09 0.002 . 2 . . 719 . . 7 TYR HB3 . 27143 1 54 . 1 1 7 7 TYR HE1 H 1 6.692 . . 1 . . 855 . . 7 TYR HE1 . 27143 1 55 . 1 1 7 7 TYR HE2 H 1 6.692 . . 1 . . 855 . . 7 TYR HE2 . 27143 1 56 . 1 1 7 7 TYR C C 13 177.245 . . 1 . . 370 . . 7 TYR C . 27143 1 57 . 1 1 7 7 TYR CA C 13 61.138 0.018 . 1 . . 221 . . 7 TYR CA . 27143 1 58 . 1 1 7 7 TYR CB C 13 38.558 0.018 . 1 . . 222 . . 7 TYR CB . 27143 1 59 . 1 1 7 7 TYR CE1 C 13 118.603 . . 1 . . 856 . . 7 TYR CE1 . 27143 1 60 . 1 1 7 7 TYR CE2 C 13 118.603 . . 1 . . 856 . . 7 TYR CE2 . 27143 1 61 . 1 1 7 7 TYR N N 15 122.983 0.021 . 1 . . 129 . . 7 TYR N . 27143 1 62 . 1 1 8 8 ILE H H 1 8.041 0.001 . 1 . . 13 . . 8 ILE H . 27143 1 63 . 1 1 8 8 ILE HA H 1 3.619 0.002 . 1 . . 708 . . 8 ILE HA . 27143 1 64 . 1 1 8 8 ILE HB H 1 1.925 0.003 . 1 . . 709 . . 8 ILE HB . 27143 1 65 . 1 1 8 8 ILE HG12 H 1 0.983 0.004 . 2 . . 711 . . 8 ILE HG12 . 27143 1 66 . 1 1 8 8 ILE HG13 H 1 1.605 0.003 . 2 . . 712 . . 8 ILE HG13 . 27143 1 67 . 1 1 8 8 ILE HG21 H 1 0.871 0.001 . 1 . . 714 . . 8 ILE HG21 . 27143 1 68 . 1 1 8 8 ILE HG22 H 1 0.871 0.001 . 1 . . 714 . . 8 ILE HG22 . 27143 1 69 . 1 1 8 8 ILE HG23 H 1 0.871 0.001 . 1 . . 714 . . 8 ILE HG23 . 27143 1 70 . 1 1 8 8 ILE HD11 H 1 0.678 0.001 . 1 . . 716 . . 8 ILE HD11 . 27143 1 71 . 1 1 8 8 ILE HD12 H 1 0.678 0.001 . 1 . . 716 . . 8 ILE HD12 . 27143 1 72 . 1 1 8 8 ILE HD13 H 1 0.678 0.001 . 1 . . 716 . . 8 ILE HD13 . 27143 1 73 . 1 1 8 8 ILE C C 13 179.489 . . 1 . . 371 . . 8 ILE C . 27143 1 74 . 1 1 8 8 ILE CA C 13 65.162 0.016 . 1 . . 235 . . 8 ILE CA . 27143 1 75 . 1 1 8 8 ILE CB C 13 37.949 0.027 . 1 . . 234 . . 8 ILE CB . 27143 1 76 . 1 1 8 8 ILE CG1 C 13 29.456 0.021 . 1 . . 710 . . 8 ILE CG1 . 27143 1 77 . 1 1 8 8 ILE CG2 C 13 16.371 0.028 . 1 . . 713 . . 8 ILE CG2 . 27143 1 78 . 1 1 8 8 ILE CD1 C 13 13.347 0.009 . 1 . . 715 . . 8 ILE CD1 . 27143 1 79 . 1 1 8 8 ILE N N 15 118.683 0.01 . 1 . . 14 . . 8 ILE N . 27143 1 80 . 1 1 9 9 GLN H H 1 7.864 0.001 . 1 . . 29 . . 9 GLN H . 27143 1 81 . 1 1 9 9 GLN HA H 1 4.029 0.002 . 1 . . 725 . . 9 GLN HA . 27143 1 82 . 1 1 9 9 GLN HB2 H 1 1.977 0.003 . 2 . . 726 . . 9 GLN HB2 . 27143 1 83 . 1 1 9 9 GLN HB3 H 1 2.015 0.01 . 2 . . 727 . . 9 GLN HB3 . 27143 1 84 . 1 1 9 9 GLN HG2 H 1 2.357 0.001 . 1 . . 728 . . 9 GLN HG2 . 27143 1 85 . 1 1 9 9 GLN HE21 H 1 7.82 0.002 . 1 . . 70 . . 9 GLN HE21 . 27143 1 86 . 1 1 9 9 GLN HE22 H 1 6.783 0.003 . 1 . . 187 . . 9 GLN HE22 . 27143 1 87 . 1 1 9 9 GLN C C 13 179.03 . . 1 . . 372 . . 9 GLN C . 27143 1 88 . 1 1 9 9 GLN CA C 13 58.581 0.032 . 1 . . 283 . . 9 GLN CA . 27143 1 89 . 1 1 9 9 GLN CB C 13 28.129 0.073 . 1 . . 355 . . 9 GLN CB . 27143 1 90 . 1 1 9 9 GLN CG C 13 33.471 0.023 . 1 . . 356 . . 9 GLN CG . 27143 1 91 . 1 1 9 9 GLN CD C 13 179.781 0.018 . 1 . . 447 . . 9 GLN CD . 27143 1 92 . 1 1 9 9 GLN N N 15 121.655 0.031 . 1 . . 30 . . 9 GLN N . 27143 1 93 . 1 1 9 9 GLN NE2 N 15 112.695 0.004 . 1 . . 71 . . 9 GLN NE2 . 27143 1 94 . 1 1 10 10 LEU H H 1 8.337 0.002 . 1 . . 78 . . 10 LEU H . 27143 1 95 . 1 1 10 10 LEU HA H 1 4.139 0.001 . 1 . . 811 . . 10 LEU HA . 27143 1 96 . 1 1 10 10 LEU HB2 H 1 1.67 0.007 . 2 . . 810 . . 10 LEU HB2 . 27143 1 97 . 1 1 10 10 LEU HB3 H 1 1.742 0.003 . 2 . . 812 . . 10 LEU HB3 . 27143 1 98 . 1 1 10 10 LEU HG H 1 1.659 0.008 . 1 . . 814 . . 10 LEU HG . 27143 1 99 . 1 1 10 10 LEU HD11 H 1 0.914 0.002 . 2 . . 816 . . 10 LEU HD11 . 27143 1 100 . 1 1 10 10 LEU HD12 H 1 0.914 0.002 . 2 . . 816 . . 10 LEU HD12 . 27143 1 101 . 1 1 10 10 LEU HD13 H 1 0.914 0.002 . 2 . . 816 . . 10 LEU HD13 . 27143 1 102 . 1 1 10 10 LEU HD21 H 1 0.921 0.006 . 2 . . 818 . . 10 LEU HD21 . 27143 1 103 . 1 1 10 10 LEU HD22 H 1 0.921 0.006 . 2 . . 818 . . 10 LEU HD22 . 27143 1 104 . 1 1 10 10 LEU HD23 H 1 0.921 0.006 . 2 . . 818 . . 10 LEU HD23 . 27143 1 105 . 1 1 10 10 LEU C C 13 179.424 . . 1 . . 373 . . 10 LEU C . 27143 1 106 . 1 1 10 10 LEU CA C 13 58.229 0.11 . 1 . . 305 . . 10 LEU CA . 27143 1 107 . 1 1 10 10 LEU CB C 13 42.004 0.014 . 1 . . 306 . . 10 LEU CB . 27143 1 108 . 1 1 10 10 LEU CG C 13 26.994 0.005 . 1 . . 813 . . 10 LEU CG . 27143 1 109 . 1 1 10 10 LEU CD1 C 13 23.878 0.018 . 2 . . 815 . . 10 LEU CD1 . 27143 1 110 . 1 1 10 10 LEU CD2 C 13 24.739 0.002 . 2 . . 817 . . 10 LEU CD2 . 27143 1 111 . 1 1 10 10 LEU N N 15 120.86 0.017 . 1 . . 79 . . 10 LEU N . 27143 1 112 . 1 1 11 11 LEU H H 1 8.566 0 . 1 . . 164 . . 11 LEU H . 27143 1 113 . 1 1 11 11 LEU HA H 1 4.204 0.002 . 1 . . 569 . . 11 LEU HA . 27143 1 114 . 1 1 11 11 LEU HB2 H 1 1.501 0.002 . 2 . . 568 . . 11 LEU HB2 . 27143 1 115 . 1 1 11 11 LEU HB3 H 1 2.173 0.003 . 2 . . 570 . . 11 LEU HB3 . 27143 1 116 . 1 1 11 11 LEU HG H 1 1.798 0.002 . 1 . . 572 . . 11 LEU HG . 27143 1 117 . 1 1 11 11 LEU HD11 H 1 1.017 0.002 . 2 . . 574 . . 11 LEU HD11 . 27143 1 118 . 1 1 11 11 LEU HD12 H 1 1.017 0.002 . 2 . . 574 . . 11 LEU HD12 . 27143 1 119 . 1 1 11 11 LEU HD13 H 1 1.017 0.002 . 2 . . 574 . . 11 LEU HD13 . 27143 1 120 . 1 1 11 11 LEU HD21 H 1 1.084 0.001 . 2 . . 576 . . 11 LEU HD21 . 27143 1 121 . 1 1 11 11 LEU HD22 H 1 1.084 0.001 . 2 . . 576 . . 11 LEU HD22 . 27143 1 122 . 1 1 11 11 LEU HD23 H 1 1.084 0.001 . 2 . . 576 . . 11 LEU HD23 . 27143 1 123 . 1 1 11 11 LEU C C 13 177.972 . . 1 . . 374 . . 11 LEU C . 27143 1 124 . 1 1 11 11 LEU CA C 13 58.085 0.032 . 1 . . 303 . . 11 LEU CA . 27143 1 125 . 1 1 11 11 LEU CB C 13 40.936 0.029 . 1 . . 304 . . 11 LEU CB . 27143 1 126 . 1 1 11 11 LEU CG C 13 26.98 0.05 . 1 . . 571 . . 11 LEU CG . 27143 1 127 . 1 1 11 11 LEU CD1 C 13 22.932 0.014 . 2 . . 573 . . 11 LEU CD1 . 27143 1 128 . 1 1 11 11 LEU CD2 C 13 26.529 0.02 . 2 . . 575 . . 11 LEU CD2 . 27143 1 129 . 1 1 11 11 LEU N N 15 119.146 0.018 . 1 . . 165 . . 11 LEU N . 27143 1 130 . 1 1 12 12 SER H H 1 7.905 0.001 . 1 . . 158 . . 12 SER H . 27143 1 131 . 1 1 12 12 SER HA H 1 4.064 . . 1 . . 833 . . 12 SER HA . 27143 1 132 . 1 1 12 12 SER HB2 H 1 4.016 . . 2 . . 834 . . 12 SER HB2 . 27143 1 133 . 1 1 12 12 SER HB3 H 1 4.076 . . 2 . . 836 . . 12 SER HB3 . 27143 1 134 . 1 1 12 12 SER C C 13 177.101 . . 1 . . 375 . . 12 SER C . 27143 1 135 . 1 1 12 12 SER CA C 13 61.766 0.062 . 1 . . 324 . . 12 SER CA . 27143 1 136 . 1 1 12 12 SER CB C 13 62.695 0.096 . 1 . . 331 . . 12 SER CB . 27143 1 137 . 1 1 12 12 SER N N 15 114.314 0.02 . 1 . . 159 . . 12 SER N . 27143 1 138 . 1 1 13 13 GLU H H 1 7.889 0.001 . 1 . . 27 . . 13 GLU H . 27143 1 139 . 1 1 13 13 GLU HA H 1 4.067 0.003 . 1 . . 742 . . 13 GLU HA . 27143 1 140 . 1 1 13 13 GLU HB2 H 1 2.113 0.004 . 2 . . 741 . . 13 GLU HB2 . 27143 1 141 . 1 1 13 13 GLU HB3 H 1 2.283 0.005 . 2 . . 743 . . 13 GLU HB3 . 27143 1 142 . 1 1 13 13 GLU HG2 H 1 2.296 0.009 . 2 . . 745 . . 13 GLU HG2 . 27143 1 143 . 1 1 13 13 GLU HG3 H 1 2.469 0.001 . 2 . . 746 . . 13 GLU HG3 . 27143 1 144 . 1 1 13 13 GLU C C 13 179.523 . . 1 . . 376 . . 13 GLU C . 27143 1 145 . 1 1 13 13 GLU CA C 13 59.293 0.017 . 1 . . 211 . . 13 GLU CA . 27143 1 146 . 1 1 13 13 GLU CB C 13 29.274 0.076 . 1 . . 212 . . 13 GLU CB . 27143 1 147 . 1 1 13 13 GLU CG C 13 36.222 0.006 . 1 . . 744 . . 13 GLU CG . 27143 1 148 . 1 1 13 13 GLU N N 15 122.251 0.005 . 1 . . 28 . . 13 GLU N . 27143 1 149 . 1 1 14 14 ILE H H 1 8.033 0.001 . 1 . . 100 . . 14 ILE H . 27143 1 150 . 1 1 14 14 ILE HA H 1 3.808 0.002 . 1 . . 617 . . 14 ILE HA . 27143 1 151 . 1 1 14 14 ILE HB H 1 2.059 0.006 . 1 . . 618 . . 14 ILE HB . 27143 1 152 . 1 1 14 14 ILE HG12 H 1 1.547 0.002 . 1 . . 624 . . 14 ILE HG12 . 27143 1 153 . 1 1 14 14 ILE HG21 H 1 1.012 0.002 . 1 . . 622 . . 14 ILE HG21 . 27143 1 154 . 1 1 14 14 ILE HG22 H 1 1.012 0.002 . 1 . . 622 . . 14 ILE HG22 . 27143 1 155 . 1 1 14 14 ILE HG23 H 1 1.012 0.002 . 1 . . 622 . . 14 ILE HG23 . 27143 1 156 . 1 1 14 14 ILE HD11 H 1 0.833 0.001 . 1 . . 620 . . 14 ILE HD11 . 27143 1 157 . 1 1 14 14 ILE HD12 H 1 0.833 0.001 . 1 . . 620 . . 14 ILE HD12 . 27143 1 158 . 1 1 14 14 ILE HD13 H 1 0.833 0.001 . 1 . . 620 . . 14 ILE HD13 . 27143 1 159 . 1 1 14 14 ILE C C 13 177.569 . . 1 . . 377 . . 14 ILE C . 27143 1 160 . 1 1 14 14 ILE CA C 13 63.464 0.036 . 1 . . 210 . . 14 ILE CA . 27143 1 161 . 1 1 14 14 ILE CB C 13 37.11 0.025 . 1 . . 209 . . 14 ILE CB . 27143 1 162 . 1 1 14 14 ILE CG1 C 13 28.395 0.014 . 1 . . 623 . . 14 ILE CG1 . 27143 1 163 . 1 1 14 14 ILE CG2 C 13 17.726 0.022 . 1 . . 621 . . 14 ILE CG2 . 27143 1 164 . 1 1 14 14 ILE CD1 C 13 11.684 0.011 . 1 . . 619 . . 14 ILE CD1 . 27143 1 165 . 1 1 14 14 ILE N N 15 122.227 0.008 . 1 . . 101 . . 14 ILE N . 27143 1 166 . 1 1 15 15 ALA H H 1 8.438 0.001 . 1 . . 3 . . 15 ALA H . 27143 1 167 . 1 1 15 15 ALA HA H 1 2.051 0.001 . 1 . . 840 . . 15 ALA HA . 27143 1 168 . 1 1 15 15 ALA HB1 H 1 1.118 0.001 . 1 . . 841 . . 15 ALA HB1 . 27143 1 169 . 1 1 15 15 ALA HB2 H 1 1.118 0.001 . 1 . . 841 . . 15 ALA HB2 . 27143 1 170 . 1 1 15 15 ALA HB3 H 1 1.118 0.001 . 1 . . 841 . . 15 ALA HB3 . 27143 1 171 . 1 1 15 15 ALA C C 13 179.917 . . 1 . . 378 . . 15 ALA C . 27143 1 172 . 1 1 15 15 ALA CA C 13 54.833 0.017 . 1 . . 268 . . 15 ALA CA . 27143 1 173 . 1 1 15 15 ALA CB C 13 18.878 0.032 . 1 . . 267 . . 15 ALA CB . 27143 1 174 . 1 1 15 15 ALA N N 15 123.367 0.006 . 1 . . 4 . . 15 ALA N . 27143 1 175 . 1 1 16 16 LYS H H 1 7.348 0.001 . 1 . . 116 . . 16 LYS H . 27143 1 176 . 1 1 16 16 LYS HA H 1 3.951 0.001 . 1 . . 687 . . 16 LYS HA . 27143 1 177 . 1 1 16 16 LYS HB2 H 1 1.898 0.002 . 1 . . 688 . . 16 LYS HB2 . 27143 1 178 . 1 1 16 16 LYS HG2 H 1 1.399 0.006 . 2 . . 690 . . 16 LYS HG2 . 27143 1 179 . 1 1 16 16 LYS HG3 H 1 1.558 0.002 . 2 . . 691 . . 16 LYS HG3 . 27143 1 180 . 1 1 16 16 LYS HD2 H 1 1.671 0.005 . 1 . . 693 . . 16 LYS HD2 . 27143 1 181 . 1 1 16 16 LYS HE2 H 1 2.955 0.011 . 1 . . 695 . . 16 LYS HE2 . 27143 1 182 . 1 1 16 16 LYS C C 13 179.208 . . 1 . . 379 . . 16 LYS C . 27143 1 183 . 1 1 16 16 LYS CA C 13 58.773 0.025 . 1 . . 265 . . 16 LYS CA . 27143 1 184 . 1 1 16 16 LYS CB C 13 32.314 0.02 . 1 . . 266 . . 16 LYS CB . 27143 1 185 . 1 1 16 16 LYS CG C 13 24.864 0.029 . 1 . . 689 . . 16 LYS CG . 27143 1 186 . 1 1 16 16 LYS CD C 13 29.223 0.075 . 1 . . 692 . . 16 LYS CD . 27143 1 187 . 1 1 16 16 LYS CE C 13 42.125 0.064 . 1 . . 696 . . 16 LYS CE . 27143 1 188 . 1 1 16 16 LYS N N 15 116.377 0.008 . 1 . . 117 . . 16 LYS N . 27143 1 189 . 1 1 17 17 GLU H H 1 7.641 0.001 . 1 . . 168 . . 17 GLU H . 27143 1 190 . 1 1 17 17 GLU HA H 1 4.025 0.002 . 1 . . 749 . . 17 GLU HA . 27143 1 191 . 1 1 17 17 GLU HB2 H 1 2.135 0.003 . 2 . . 753 . . 17 GLU HB2 . 27143 1 192 . 1 1 17 17 GLU HB3 H 1 2.17 0.002 . 2 . . 754 . . 17 GLU HB3 . 27143 1 193 . 1 1 17 17 GLU HG2 H 1 2.235 0.003 . 2 . . 748 . . 17 GLU HG2 . 27143 1 194 . 1 1 17 17 GLU HG3 H 1 2.391 0.002 . 2 . . 750 . . 17 GLU HG3 . 27143 1 195 . 1 1 17 17 GLU C C 13 178.622 . . 1 . . 380 . . 17 GLU C . 27143 1 196 . 1 1 17 17 GLU CA C 13 58.906 0.012 . 1 . . 264 . . 17 GLU CA . 27143 1 197 . 1 1 17 17 GLU CB C 13 30.16 0.031 . 1 . . 263 . . 17 GLU CB . 27143 1 198 . 1 1 17 17 GLU CG C 13 36.025 0.014 . 1 . . 747 . . 17 GLU CG . 27143 1 199 . 1 1 17 17 GLU N N 15 119.176 0.005 . 1 . . 169 . . 17 GLU N . 27143 1 200 . 1 1 18 18 GLN H H 1 8.507 0.001 . 1 . . 118 . . 18 GLN H . 27143 1 201 . 1 1 18 18 GLN HA H 1 4.269 0.001 . 1 . . 466 . . 18 GLN HA . 27143 1 202 . 1 1 18 18 GLN HB2 H 1 1.869 0.002 . 2 . . 469 . . 18 GLN HB2 . 27143 1 203 . 1 1 18 18 GLN HB3 H 1 2.406 0.002 . 2 . . 470 . . 18 GLN HB3 . 27143 1 204 . 1 1 18 18 GLN HG2 H 1 2.588 0.002 . 2 . . 467 . . 18 GLN HG2 . 27143 1 205 . 1 1 18 18 GLN HG3 H 1 2.433 0.001 . 2 . . 472 . . 18 GLN HG3 . 27143 1 206 . 1 1 18 18 GLN HE21 H 1 6.665 0.003 . 1 . . 138 . . 18 GLN HE21 . 27143 1 207 . 1 1 18 18 GLN HE22 H 1 7.622 0.001 . 1 . . 176 . . 18 GLN HE22 . 27143 1 208 . 1 1 18 18 GLN C C 13 177.015 . . 1 . . 381 . . 18 GLN C . 27143 1 209 . 1 1 18 18 GLN CA C 13 56.641 0.055 . 1 . . 262 . . 18 GLN CA . 27143 1 210 . 1 1 18 18 GLN CB C 13 29.085 0.046 . 1 . . 348 . . 18 GLN CB . 27143 1 211 . 1 1 18 18 GLN CG C 13 34.395 0.028 . 1 . . 471 . . 18 GLN CG . 27143 1 212 . 1 1 18 18 GLN CD C 13 179.186 0.018 . 1 . . 443 . . 18 GLN CD . 27143 1 213 . 1 1 18 18 GLN N N 15 114.788 0.022 . 1 . . 119 . . 18 GLN N . 27143 1 214 . 1 1 18 18 GLN NE2 N 15 109.792 0.003 . 1 . . 139 . . 18 GLN NE2 . 27143 1 215 . 1 1 19 19 GLY H H 1 7.853 0.002 . 1 . . 60 . . 19 GLY H . 27143 1 216 . 1 1 19 19 GLY HA2 H 1 4.038 0.001 . 2 . . 564 . . 19 GLY HA2 . 27143 1 217 . 1 1 19 19 GLY HA3 H 1 3.849 0.002 . 2 . . 565 . . 19 GLY HA3 . 27143 1 218 . 1 1 19 19 GLY C C 13 174.196 . . 1 . . 382 . . 19 GLY C . 27143 1 219 . 1 1 19 19 GLY CA C 13 46.896 0.025 . 1 . . 309 . . 19 GLY CA . 27143 1 220 . 1 1 19 19 GLY N N 15 109.012 0.012 . 1 . . 61 . . 19 GLY N . 27143 1 221 . 1 1 20 20 PHE H H 1 7.743 0.001 . 1 . . 185 . . 20 PHE H . 27143 1 222 . 1 1 20 20 PHE HA H 1 4.991 0.002 . 1 . . 547 . . 20 PHE HA . 27143 1 223 . 1 1 20 20 PHE HB2 H 1 2.804 0.001 . 2 . . 548 . . 20 PHE HB2 . 27143 1 224 . 1 1 20 20 PHE HB3 H 1 3.046 0.002 . 2 . . 549 . . 20 PHE HB3 . 27143 1 225 . 1 1 20 20 PHE HZ H 1 6.947 . . 1 . . 843 . . 20 PHE HZ . 27143 1 226 . 1 1 20 20 PHE C C 13 172.358 . . 1 . . 383 . . 20 PHE C . 27143 1 227 . 1 1 20 20 PHE CA C 13 54.855 0.009 . 1 . . 208 . . 20 PHE CA . 27143 1 228 . 1 1 20 20 PHE CB C 13 41.221 0.015 . 1 . . 207 . . 20 PHE CB . 27143 1 229 . 1 1 20 20 PHE CZ C 13 129.175 . . 1 . . 842 . . 20 PHE CZ . 27143 1 230 . 1 1 20 20 PHE N N 15 115.481 0.005 . 1 . . 186 . . 20 PHE N . 27143 1 231 . 1 1 21 21 ASN H H 1 9.146 0.001 . 1 . . 62 . . 21 ASN H . 27143 1 232 . 1 1 21 21 ASN HA H 1 5.043 0.002 . 1 . . 529 . . 21 ASN HA . 27143 1 233 . 1 1 21 21 ASN HB2 H 1 2.702 0 . 2 . . 530 . . 21 ASN HB2 . 27143 1 234 . 1 1 21 21 ASN HB3 H 1 2.75 0.001 . 2 . . 531 . . 21 ASN HB3 . 27143 1 235 . 1 1 21 21 ASN HD21 H 1 6.931 0.003 . 1 . . 41 . . 21 ASN HD21 . 27143 1 236 . 1 1 21 21 ASN HD22 H 1 7.509 0.001 . 1 . . 162 . . 21 ASN HD22 . 27143 1 237 . 1 1 21 21 ASN C C 13 174.523 . . 1 . . 384 . . 21 ASN C . 27143 1 238 . 1 1 21 21 ASN CA C 13 51.729 0.015 . 1 . . 360 . . 21 ASN CA . 27143 1 239 . 1 1 21 21 ASN CB C 13 41.499 0.024 . 1 . . 359 . . 21 ASN CB . 27143 1 240 . 1 1 21 21 ASN CG C 13 176.882 0.008 . 1 . . 448 . . 21 ASN CG . 27143 1 241 . 1 1 21 21 ASN N N 15 116.984 0.006 . 1 . . 63 . . 21 ASN N . 27143 1 242 . 1 1 21 21 ASN ND2 N 15 114.307 0 . 1 . . 42 . . 21 ASN ND2 . 27143 1 243 . 1 1 22 22 ILE H H 1 8.645 0.002 . 1 . . 92 . . 22 ILE H . 27143 1 244 . 1 1 22 22 ILE HA H 1 4.753 0 . 1 . . 608 . . 22 ILE HA . 27143 1 245 . 1 1 22 22 ILE HB H 1 1.464 0.002 . 1 . . 609 . . 22 ILE HB . 27143 1 246 . 1 1 22 22 ILE HG12 H 1 0.879 0.007 . 2 . . 611 . . 22 ILE HG12 . 27143 1 247 . 1 1 22 22 ILE HG13 H 1 1.35 0.003 . 2 . . 612 . . 22 ILE HG13 . 27143 1 248 . 1 1 22 22 ILE HG21 H 1 0.308 0.001 . 1 . . 614 . . 22 ILE HG21 . 27143 1 249 . 1 1 22 22 ILE HG22 H 1 0.308 0.001 . 1 . . 614 . . 22 ILE HG22 . 27143 1 250 . 1 1 22 22 ILE HG23 H 1 0.308 0.001 . 1 . . 614 . . 22 ILE HG23 . 27143 1 251 . 1 1 22 22 ILE HD11 H 1 0.871 0.002 . 1 . . 616 . . 22 ILE HD11 . 27143 1 252 . 1 1 22 22 ILE HD12 H 1 0.871 0.002 . 1 . . 616 . . 22 ILE HD12 . 27143 1 253 . 1 1 22 22 ILE HD13 H 1 0.871 0.002 . 1 . . 616 . . 22 ILE HD13 . 27143 1 254 . 1 1 22 22 ILE C C 13 175.594 . . 1 . . 385 . . 22 ILE C . 27143 1 255 . 1 1 22 22 ILE CA C 13 60.303 0.021 . 1 . . 205 . . 22 ILE CA . 27143 1 256 . 1 1 22 22 ILE CB C 13 41.497 0.018 . 1 . . 206 . . 22 ILE CB . 27143 1 257 . 1 1 22 22 ILE CG1 C 13 28.097 0.014 . 1 . . 610 . . 22 ILE CG1 . 27143 1 258 . 1 1 22 22 ILE CG2 C 13 18.19 0.008 . 1 . . 613 . . 22 ILE CG2 . 27143 1 259 . 1 1 22 22 ILE CD1 C 13 16.215 0.063 . 1 . . 615 . . 22 ILE CD1 . 27143 1 260 . 1 1 22 22 ILE N N 15 121.706 0.008 . 1 . . 93 . . 22 ILE N . 27143 1 261 . 1 1 23 23 THR H H 1 8.756 0.003 . 1 . . 179 . . 23 THR H . 27143 1 262 . 1 1 23 23 THR HA H 1 4.472 0.001 . 1 . . 491 . . 23 THR HA . 27143 1 263 . 1 1 23 23 THR HB H 1 3.903 0.004 . 1 . . 492 . . 23 THR HB . 27143 1 264 . 1 1 23 23 THR HG21 H 1 1.124 0.002 . 1 . . 493 . . 23 THR HG21 . 27143 1 265 . 1 1 23 23 THR HG22 H 1 1.124 0.002 . 1 . . 493 . . 23 THR HG22 . 27143 1 266 . 1 1 23 23 THR HG23 H 1 1.124 0.002 . 1 . . 493 . . 23 THR HG23 . 27143 1 267 . 1 1 23 23 THR C C 13 172.815 . . 1 . . 386 . . 23 THR C . 27143 1 268 . 1 1 23 23 THR CA C 13 61.331 0.025 . 1 . . 204 . . 23 THR CA . 27143 1 269 . 1 1 23 23 THR CB C 13 71.102 0.039 . 1 . . 203 . . 23 THR CB . 27143 1 270 . 1 1 23 23 THR CG2 C 13 21.463 0.029 . 1 . . 494 . . 23 THR CG2 . 27143 1 271 . 1 1 23 23 THR N N 15 123.724 0.006 . 1 . . 180 . . 23 THR N . 27143 1 272 . 1 1 24 24 TYR H H 1 8.935 0.001 . 1 . . 104 . . 24 TYR H . 27143 1 273 . 1 1 24 24 TYR HA H 1 4.917 0.002 . 1 . . 634 . . 24 TYR HA . 27143 1 274 . 1 1 24 24 TYR HB2 H 1 2.543 0.01 . 2 . . 635 . . 24 TYR HB2 . 27143 1 275 . 1 1 24 24 TYR HB3 H 1 2.718 0.003 . 2 . . 636 . . 24 TYR HB3 . 27143 1 276 . 1 1 24 24 TYR HD1 H 1 6.974 . . 1 . . 871 . . 24 TYR HD1 . 27143 1 277 . 1 1 24 24 TYR HD2 H 1 6.974 . . 1 . . 871 . . 24 TYR HD2 . 27143 1 278 . 1 1 24 24 TYR HE1 H 1 6.596 . . 1 . . 857 . . 24 TYR HE1 . 27143 1 279 . 1 1 24 24 TYR HE2 H 1 6.596 . . 1 . . 857 . . 24 TYR HE2 . 27143 1 280 . 1 1 24 24 TYR C C 13 175.117 . . 1 . . 387 . . 24 TYR C . 27143 1 281 . 1 1 24 24 TYR CA C 13 57.88 0.014 . 1 . . 202 . . 24 TYR CA . 27143 1 282 . 1 1 24 24 TYR CB C 13 40.141 0.013 . 1 . . 201 . . 24 TYR CB . 27143 1 283 . 1 1 24 24 TYR CD1 C 13 132.93 . . 1 . . 872 . . 24 TYR CD1 . 27143 1 284 . 1 1 24 24 TYR CD2 C 13 132.93 . . 1 . . 872 . . 24 TYR CD2 . 27143 1 285 . 1 1 24 24 TYR CE1 C 13 117.787 . . 1 . . 858 . . 24 TYR CE1 . 27143 1 286 . 1 1 24 24 TYR CE2 C 13 117.787 . . 1 . . 858 . . 24 TYR CE2 . 27143 1 287 . 1 1 24 24 TYR N N 15 125.051 0.01 . 1 . . 105 . . 24 TYR N . 27143 1 288 . 1 1 25 25 LEU H H 1 9.243 0.001 . 1 . . 45 . . 25 LEU H . 27143 1 289 . 1 1 25 25 LEU HA H 1 4.656 0.003 . 1 . . 577 . . 25 LEU HA . 27143 1 290 . 1 1 25 25 LEU HB2 H 1 1.56 0.002 . 2 . . 578 . . 25 LEU HB2 . 27143 1 291 . 1 1 25 25 LEU HB3 H 1 1.681 0.004 . 2 . . 579 . . 25 LEU HB3 . 27143 1 292 . 1 1 25 25 LEU HG H 1 1.41 0.003 . 1 . . 580 . . 25 LEU HG . 27143 1 293 . 1 1 25 25 LEU HD11 H 1 0.831 0.002 . 2 . . 581 . . 25 LEU HD11 . 27143 1 294 . 1 1 25 25 LEU HD12 H 1 0.831 0.002 . 2 . . 581 . . 25 LEU HD12 . 27143 1 295 . 1 1 25 25 LEU HD13 H 1 0.831 0.002 . 2 . . 581 . . 25 LEU HD13 . 27143 1 296 . 1 1 25 25 LEU HD21 H 1 0.857 0.003 . 2 . . 582 . . 25 LEU HD21 . 27143 1 297 . 1 1 25 25 LEU HD22 H 1 0.857 0.003 . 2 . . 582 . . 25 LEU HD22 . 27143 1 298 . 1 1 25 25 LEU HD23 H 1 0.857 0.003 . 2 . . 582 . . 25 LEU HD23 . 27143 1 299 . 1 1 25 25 LEU C C 13 174.832 . . 1 . . 388 . . 25 LEU C . 27143 1 300 . 1 1 25 25 LEU CA C 13 53.901 0.013 . 1 . . 199 . . 25 LEU CA . 27143 1 301 . 1 1 25 25 LEU CB C 13 43.937 0.059 . 1 . . 200 . . 25 LEU CB . 27143 1 302 . 1 1 25 25 LEU CG C 13 27.2 0.014 . 1 . . 586 . . 25 LEU CG . 27143 1 303 . 1 1 25 25 LEU CD1 C 13 25 0.038 . 2 . . 584 . . 25 LEU CD1 . 27143 1 304 . 1 1 25 25 LEU CD2 C 13 24.506 0.028 . 2 . . 585 . . 25 LEU CD2 . 27143 1 305 . 1 1 25 25 LEU N N 15 126.182 0.009 . 1 . . 46 . . 25 LEU N . 27143 1 306 . 1 1 26 26 ASP H H 1 8.648 0.001 . 1 . . 108 . . 26 ASP H . 27143 1 307 . 1 1 26 26 ASP HA H 1 4.746 0.002 . 1 . . 544 . . 26 ASP HA . 27143 1 308 . 1 1 26 26 ASP HB2 H 1 2.835 0.003 . 2 . . 545 . . 26 ASP HB2 . 27143 1 309 . 1 1 26 26 ASP HB3 H 1 2.572 0.001 . 2 . . 546 . . 26 ASP HB3 . 27143 1 310 . 1 1 26 26 ASP C C 13 175.653 . . 1 . . 389 . . 26 ASP C . 27143 1 311 . 1 1 26 26 ASP CA C 13 54.817 0.006 . 1 . . 197 . . 26 ASP CA . 27143 1 312 . 1 1 26 26 ASP CB C 13 40.791 0.011 . 1 . . 198 . . 26 ASP CB . 27143 1 313 . 1 1 26 26 ASP N N 15 126.43 0.007 . 1 . . 109 . . 26 ASP N . 27143 1 314 . 1 1 27 27 ILE H H 1 7.968 0.001 . 1 . . 1 . . 27 ILE H . 27143 1 315 . 1 1 27 27 ILE HA H 1 4.16 0.001 . 1 . . 756 . . 27 ILE HA . 27143 1 316 . 1 1 27 27 ILE HB H 1 1.914 0.001 . 1 . . 755 . . 27 ILE HB . 27143 1 317 . 1 1 27 27 ILE HG12 H 1 1.207 0.003 . 2 . . 758 . . 27 ILE HG12 . 27143 1 318 . 1 1 27 27 ILE HG13 H 1 1.489 0.005 . 2 . . 759 . . 27 ILE HG13 . 27143 1 319 . 1 1 27 27 ILE HG21 H 1 1.07 0.002 . 1 . . 761 . . 27 ILE HG21 . 27143 1 320 . 1 1 27 27 ILE HG22 H 1 1.07 0.002 . 1 . . 761 . . 27 ILE HG22 . 27143 1 321 . 1 1 27 27 ILE HG23 H 1 1.07 0.002 . 1 . . 761 . . 27 ILE HG23 . 27143 1 322 . 1 1 27 27 ILE HD11 H 1 0.798 0.002 . 1 . . 763 . . 27 ILE HD11 . 27143 1 323 . 1 1 27 27 ILE HD12 H 1 0.798 0.002 . 1 . . 763 . . 27 ILE HD12 . 27143 1 324 . 1 1 27 27 ILE HD13 H 1 0.798 0.002 . 1 . . 763 . . 27 ILE HD13 . 27143 1 325 . 1 1 27 27 ILE C C 13 176.516 . . 1 . . 390 . . 27 ILE C . 27143 1 326 . 1 1 27 27 ILE CA C 13 60.612 0.022 . 1 . . 259 . . 27 ILE CA . 27143 1 327 . 1 1 27 27 ILE CB C 13 38.205 0.033 . 1 . . 258 . . 27 ILE CB . 27143 1 328 . 1 1 27 27 ILE CG1 C 13 27.641 0.019 . 1 . . 757 . . 27 ILE CG1 . 27143 1 329 . 1 1 27 27 ILE CG2 C 13 17.491 0.027 . 1 . . 760 . . 27 ILE CG2 . 27143 1 330 . 1 1 27 27 ILE CD1 C 13 12.543 0.015 . 1 . . 762 . . 27 ILE CD1 . 27143 1 331 . 1 1 27 27 ILE N N 15 125.824 0.019 . 1 . . 2 . . 27 ILE N . 27143 1 332 . 1 1 28 28 ASP H H 1 8.693 0.001 . 1 . . 57 . . 28 ASP H . 27143 1 333 . 1 1 28 28 ASP HA H 1 4.499 0.003 . 1 . . 551 . . 28 ASP HA . 27143 1 334 . 1 1 28 28 ASP HB2 H 1 2.676 0.003 . 2 . . 550 . . 28 ASP HB2 . 27143 1 335 . 1 1 28 28 ASP HB3 H 1 2.714 0 . 2 . . 552 . . 28 ASP HB3 . 27143 1 336 . 1 1 28 28 ASP C C 13 176.49 . . 1 . . 391 . . 28 ASP C . 27143 1 337 . 1 1 28 28 ASP CA C 13 56.113 0.036 . 1 . . 257 . . 28 ASP CA . 27143 1 338 . 1 1 28 28 ASP CB C 13 40.959 0.009 . 1 . . 256 . . 28 ASP CB . 27143 1 339 . 1 1 28 28 ASP N N 15 127.116 0.01 . 1 . . 58 . . 28 ASP N . 27143 1 340 . 1 1 29 29 GLU H H 1 7.692 0.001 . 1 . . 51 . . 29 GLU H . 27143 1 341 . 1 1 29 29 GLU HA H 1 4.266 0.002 . 1 . . 822 . . 29 GLU HA . 27143 1 342 . 1 1 29 29 GLU HB2 H 1 1.872 0.007 . 1 . . 825 . . 29 GLU HB2 . 27143 1 343 . 1 1 29 29 GLU HG2 H 1 2.186 0.002 . 2 . . 823 . . 29 GLU HG2 . 27143 1 344 . 1 1 29 29 GLU HG3 H 1 2.242 0.001 . 2 . . 824 . . 29 GLU HG3 . 27143 1 345 . 1 1 29 29 GLU C C 13 177.181 . . 1 . . 392 . . 29 GLU C . 27143 1 346 . 1 1 29 29 GLU CA C 13 56.553 0.038 . 1 . . 317 . . 29 GLU CA . 27143 1 347 . 1 1 29 29 GLU CB C 13 30.666 0.022 . 1 . . 318 . . 29 GLU CB . 27143 1 348 . 1 1 29 29 GLU CG C 13 35.979 0.079 . 1 . . 826 . . 29 GLU CG . 27143 1 349 . 1 1 29 29 GLU N N 15 119.578 0.01 . 1 . . 52 . . 29 GLU N . 27143 1 350 . 1 1 30 30 LEU H H 1 8.578 0.002 . 1 . . 126 . . 30 LEU H . 27143 1 351 . 1 1 30 30 LEU HA H 1 4.403 0.002 . 1 . . 457 . . 30 LEU HA . 27143 1 352 . 1 1 30 30 LEU HB2 H 1 1.213 0.003 . 2 . . 458 . . 30 LEU HB2 . 27143 1 353 . 1 1 30 30 LEU HB3 H 1 1.575 0.003 . 2 . . 459 . . 30 LEU HB3 . 27143 1 354 . 1 1 30 30 LEU HG H 1 1.435 0.002 . 1 . . 461 . . 30 LEU HG . 27143 1 355 . 1 1 30 30 LEU HD11 H 1 0.212 0.001 . 2 . . 464 . . 30 LEU HD11 . 27143 1 356 . 1 1 30 30 LEU HD12 H 1 0.212 0.001 . 2 . . 464 . . 30 LEU HD12 . 27143 1 357 . 1 1 30 30 LEU HD13 H 1 0.212 0.001 . 2 . . 464 . . 30 LEU HD13 . 27143 1 358 . 1 1 30 30 LEU HD21 H 1 0.649 0.001 . 2 . . 465 . . 30 LEU HD21 . 27143 1 359 . 1 1 30 30 LEU HD22 H 1 0.649 0.001 . 2 . . 465 . . 30 LEU HD22 . 27143 1 360 . 1 1 30 30 LEU HD23 H 1 0.649 0.001 . 2 . . 465 . . 30 LEU HD23 . 27143 1 361 . 1 1 30 30 LEU C C 13 178.245 . . 1 . . 393 . . 30 LEU C . 27143 1 362 . 1 1 30 30 LEU CA C 13 54.622 0.021 . 1 . . 241 . . 30 LEU CA . 27143 1 363 . 1 1 30 30 LEU CB C 13 42.493 0.033 . 1 . . 240 . . 30 LEU CB . 27143 1 364 . 1 1 30 30 LEU CG C 13 26.935 0.025 . 1 . . 460 . . 30 LEU CG . 27143 1 365 . 1 1 30 30 LEU CD1 C 13 21.885 0.013 . 2 . . 462 . . 30 LEU CD1 . 27143 1 366 . 1 1 30 30 LEU CD2 C 13 24.992 0.027 . 2 . . 463 . . 30 LEU CD2 . 27143 1 367 . 1 1 30 30 LEU N N 15 125.682 0.016 . 1 . . 127 . . 30 LEU N . 27143 1 368 . 1 1 31 31 SER H H 1 9.072 0.003 . 1 . . 136 . . 31 SER H . 27143 1 369 . 1 1 31 31 SER HA H 1 4.266 0 . 1 . . 484 . . 31 SER HA . 27143 1 370 . 1 1 31 31 SER HB2 H 1 4.168 0.003 . 2 . . 485 . . 31 SER HB2 . 27143 1 371 . 1 1 31 31 SER HB3 H 1 3.704 0.002 . 2 . . 486 . . 31 SER HB3 . 27143 1 372 . 1 1 31 31 SER C C 13 175.73 . . 1 . . 394 . . 31 SER C . 27143 1 373 . 1 1 31 31 SER CA C 13 57.998 0.019 . 1 . . 239 . . 31 SER CA . 27143 1 374 . 1 1 31 31 SER CB C 13 64.669 0.029 . 1 . . 238 . . 31 SER CB . 27143 1 375 . 1 1 31 31 SER N N 15 116.249 0.01 . 1 . . 137 . . 31 SER N . 27143 1 376 . 1 1 32 32 ALA H H 1 8.851 0.002 . 1 . . 39 . . 32 ALA H . 27143 1 377 . 1 1 32 32 ALA HA H 1 4.152 0.001 . 1 . . 646 . . 32 ALA HA . 27143 1 378 . 1 1 32 32 ALA HB1 H 1 1.395 0.002 . 1 . . 647 . . 32 ALA HB1 . 27143 1 379 . 1 1 32 32 ALA HB2 H 1 1.395 0.002 . 1 . . 647 . . 32 ALA HB2 . 27143 1 380 . 1 1 32 32 ALA HB3 H 1 1.395 0.002 . 1 . . 647 . . 32 ALA HB3 . 27143 1 381 . 1 1 32 32 ALA C C 13 178.236 . . 1 . . 395 . . 32 ALA C . 27143 1 382 . 1 1 32 32 ALA CA C 13 54.558 0.02 . 1 . . 260 . . 32 ALA CA . 27143 1 383 . 1 1 32 32 ALA CB C 13 18.265 0.028 . 1 . . 261 . . 32 ALA CB . 27143 1 384 . 1 1 32 32 ALA N N 15 124.455 0.005 . 1 . . 40 . . 32 ALA N . 27143 1 385 . 1 1 33 33 ASN H H 1 7.869 0.001 . 1 . . 55 . . 33 ASN H . 27143 1 386 . 1 1 33 33 ASN HA H 1 4.775 0.001 . 1 . . 532 . . 33 ASN HA . 27143 1 387 . 1 1 33 33 ASN HB2 H 1 2.852 0.001 . 2 . . 533 . . 33 ASN HB2 . 27143 1 388 . 1 1 33 33 ASN HB3 H 1 2.817 0.001 . 2 . . 534 . . 33 ASN HB3 . 27143 1 389 . 1 1 33 33 ASN HD21 H 1 6.748 0.003 . 1 . . 188 . . 33 ASN HD21 . 27143 1 390 . 1 1 33 33 ASN HD22 H 1 7.497 0.002 . 1 . . 190 . . 33 ASN HD22 . 27143 1 391 . 1 1 33 33 ASN C C 13 175.805 . . 1 . . 396 . . 33 ASN C . 27143 1 392 . 1 1 33 33 ASN CA C 13 52.13 0.059 . 1 . . 346 . . 33 ASN CA . 27143 1 393 . 1 1 33 33 ASN CB C 13 37.916 0.014 . 1 . . 345 . . 33 ASN CB . 27143 1 394 . 1 1 33 33 ASN CG C 13 177.169 0.018 . 1 . . 444 . . 33 ASN CG . 27143 1 395 . 1 1 33 33 ASN N N 15 112.843 0.008 . 1 . . 56 . . 33 ASN N . 27143 1 396 . 1 1 33 33 ASN ND2 N 15 111.009 0 . 1 . . 189 . . 33 ASN ND2 . 27143 1 397 . 1 1 34 34 GLY H H 1 8.146 0.001 . 1 . . 110 . . 34 GLY H . 27143 1 398 . 1 1 34 34 GLY HA2 H 1 3.588 0.001 . 2 . . 559 . . 34 GLY HA2 . 27143 1 399 . 1 1 34 34 GLY HA3 H 1 4.044 0.002 . 2 . . 560 . . 34 GLY HA3 . 27143 1 400 . 1 1 34 34 GLY C C 13 173.776 . . 1 . . 397 . . 34 GLY C . 27143 1 401 . 1 1 34 34 GLY CA C 13 46.108 0.014 . 1 . . 288 . . 34 GLY CA . 27143 1 402 . 1 1 34 34 GLY N N 15 108.217 0.008 . 1 . . 111 . . 34 GLY N . 27143 1 403 . 1 1 35 35 GLN H H 1 7.649 0.001 . 1 . . 130 . . 35 GLN H . 27143 1 404 . 1 1 35 35 GLN HA H 1 4.437 0.001 . 1 . . 662 . . 35 GLN HA . 27143 1 405 . 1 1 35 35 GLN HB2 H 1 1.846 0.001 . 2 . . 663 . . 35 GLN HB2 . 27143 1 406 . 1 1 35 35 GLN HB3 H 1 2.198 0.005 . 2 . . 664 . . 35 GLN HB3 . 27143 1 407 . 1 1 35 35 GLN HG2 H 1 1.975 0.004 . 2 . . 665 . . 35 GLN HG2 . 27143 1 408 . 1 1 35 35 GLN HG3 H 1 2.183 0.009 . 2 . . 666 . . 35 GLN HG3 . 27143 1 409 . 1 1 35 35 GLN HE21 H 1 6.69 0.003 . 1 . . 23 . . 35 GLN HE21 . 27143 1 410 . 1 1 35 35 GLN HE22 H 1 7.333 0.002 . 1 . . 59 . . 35 GLN HE22 . 27143 1 411 . 1 1 35 35 GLN C C 13 175.666 . . 1 . . 398 . . 35 GLN C . 27143 1 412 . 1 1 35 35 GLN CA C 13 55.311 0.03 . 1 . . 287 . . 35 GLN CA . 27143 1 413 . 1 1 35 35 GLN CB C 13 29.983 0.054 . 1 . . 363 . . 35 GLN CB . 27143 1 414 . 1 1 35 35 GLN CG C 13 34.352 0.044 . 1 . . 364 . . 35 GLN CG . 27143 1 415 . 1 1 35 35 GLN CD C 13 179.905 0.006 . 1 . . 445 . . 35 GLN CD . 27143 1 416 . 1 1 35 35 GLN N N 15 117.16 0.014 . 1 . . 131 . . 35 GLN N . 27143 1 417 . 1 1 35 35 GLN NE2 N 15 111.002 0.001 . 1 . . 24 . . 35 GLN NE2 . 27143 1 418 . 1 1 36 36 TYR H H 1 8.504 0.002 . 1 . . 144 . . 36 TYR H . 27143 1 419 . 1 1 36 36 TYR HA H 1 4.474 0.001 . 1 . . 638 . . 36 TYR HA . 27143 1 420 . 1 1 36 36 TYR HB2 H 1 3.023 0.003 . 2 . . 637 . . 36 TYR HB2 . 27143 1 421 . 1 1 36 36 TYR HB3 H 1 2.403 0.002 . 2 . . 639 . . 36 TYR HB3 . 27143 1 422 . 1 1 36 36 TYR HE1 H 1 6.816 . . 1 . . 851 . . 36 TYR HE1 . 27143 1 423 . 1 1 36 36 TYR HE2 H 1 6.816 . . 1 . . 851 . . 36 TYR HE2 . 27143 1 424 . 1 1 36 36 TYR C C 13 176.034 . . 1 . . 399 . . 36 TYR C . 27143 1 425 . 1 1 36 36 TYR CA C 13 58.923 0.013 . 1 . . 286 . . 36 TYR CA . 27143 1 426 . 1 1 36 36 TYR CB C 13 38.932 0.02 . 1 . . 285 . . 36 TYR CB . 27143 1 427 . 1 1 36 36 TYR CE1 C 13 118.241 . . 1 . . 852 . . 36 TYR CE1 . 27143 1 428 . 1 1 36 36 TYR CE2 C 13 118.241 . . 1 . . 852 . . 36 TYR CE2 . 27143 1 429 . 1 1 36 36 TYR N N 15 120.937 0.011 . 1 . . 145 . . 36 TYR N . 27143 1 430 . 1 1 37 37 GLN H H 1 9.497 0.001 . 1 . . 142 . . 37 GLN H . 27143 1 431 . 1 1 37 37 GLN HA H 1 5.412 0.002 . 1 . . 668 . . 37 GLN HA . 27143 1 432 . 1 1 37 37 GLN HB2 H 1 1.968 0.006 . 2 . . 671 . . 37 GLN HB2 . 27143 1 433 . 1 1 37 37 GLN HB3 H 1 2.188 0.004 . 2 . . 672 . . 37 GLN HB3 . 27143 1 434 . 1 1 37 37 GLN HG2 H 1 2.138 0.002 . 2 . . 667 . . 37 GLN HG2 . 27143 1 435 . 1 1 37 37 GLN HG3 H 1 2.523 0.001 . 2 . . 669 . . 37 GLN HG3 . 27143 1 436 . 1 1 37 37 GLN HE21 H 1 7.129 0.005 . 1 . . 106 . . 37 GLN HE21 . 27143 1 437 . 1 1 37 37 GLN HE22 H 1 7.184 0.002 . 1 . . 175 . . 37 GLN HE22 . 27143 1 438 . 1 1 37 37 GLN C C 13 174.567 . . 1 . . 400 . . 37 GLN C . 27143 1 439 . 1 1 37 37 GLN CA C 13 54.378 0.008 . 1 . . 284 . . 37 GLN CA . 27143 1 440 . 1 1 37 37 GLN CB C 13 34.339 0.031 . 1 . . 670 . . 37 GLN CB . 27143 1 441 . 1 1 37 37 GLN CG C 13 35.494 0.087 . 1 . . 350 . . 37 GLN CG . 27143 1 442 . 1 1 37 37 GLN CD C 13 180.712 0.027 . 1 . . 450 . . 37 GLN CD . 27143 1 443 . 1 1 37 37 GLN N N 15 117.754 0.024 . 1 . . 143 . . 37 GLN N . 27143 1 444 . 1 1 37 37 GLN NE2 N 15 111.667 0.002 . 1 . . 107 . . 37 GLN NE2 . 27143 1 445 . 1 1 38 38 CYS H H 1 8.917 0.003 . 1 . . 80 . . 38 CYS H . 27143 1 446 . 1 1 38 38 CYS HA H 1 5.206 0.001 . 1 . . 819 . . 38 CYS HA . 27143 1 447 . 1 1 38 38 CYS HB2 H 1 2.229 0.001 . 2 . . 820 . . 38 CYS HB2 . 27143 1 448 . 1 1 38 38 CYS HB3 H 1 3.34 0.001 . 2 . . 821 . . 38 CYS HB3 . 27143 1 449 . 1 1 38 38 CYS C C 13 172.698 . . 1 . . 401 . . 38 CYS C . 27143 1 450 . 1 1 38 38 CYS CA C 13 56.796 0.039 . 1 . . 307 . . 38 CYS CA . 27143 1 451 . 1 1 38 38 CYS CB C 13 30.252 0.01 . 1 . . 308 . . 38 CYS CB . 27143 1 452 . 1 1 38 38 CYS N N 15 122.671 0.02 . 1 . . 81 . . 38 CYS N . 27143 1 453 . 1 1 39 39 ARG H H 1 9.115 0.001 . 1 . . 19 . . 39 ARG H . 27143 1 454 . 1 1 39 39 ARG HA H 1 4.815 0.002 . 1 . . 674 . . 39 ARG HA . 27143 1 455 . 1 1 39 39 ARG HB2 H 1 1.588 0.001 . 2 . . 676 . . 39 ARG HB2 . 27143 1 456 . 1 1 39 39 ARG HB3 H 1 1.737 0.002 . 2 . . 677 . . 39 ARG HB3 . 27143 1 457 . 1 1 39 39 ARG HG2 H 1 1.184 0.004 . 1 . . 678 . . 39 ARG HG2 . 27143 1 458 . 1 1 39 39 ARG HD2 H 1 3.077 0.002 . 1 . . 675 . . 39 ARG HD2 . 27143 1 459 . 1 1 39 39 ARG HE H 1 7.824 0 . 1 . . 341 . . 39 ARG HE . 27143 1 460 . 1 1 39 39 ARG C C 13 173.714 . . 1 . . 402 . . 39 ARG C . 27143 1 461 . 1 1 39 39 ARG CA C 13 54.574 0.021 . 1 . . 280 . . 39 ARG CA . 27143 1 462 . 1 1 39 39 ARG CB C 13 33.763 0.015 . 1 . . 279 . . 39 ARG CB . 27143 1 463 . 1 1 39 39 ARG CG C 13 27.908 0.031 . 1 . . 344 . . 39 ARG CG . 27143 1 464 . 1 1 39 39 ARG CD C 13 43.772 0.016 . 1 . . 343 . . 39 ARG CD . 27143 1 465 . 1 1 39 39 ARG N N 15 129.485 0.011 . 1 . . 20 . . 39 ARG N . 27143 1 466 . 1 1 39 39 ARG NE N 15 84.867 0.005 . 1 . . 342 . . 39 ARG NE . 27143 1 467 . 1 1 40 40 ALA H H 1 9.101 0.003 . 1 . . 193 . . 40 ALA H . 27143 1 468 . 1 1 40 40 ALA HA H 1 5.084 0.001 . 1 . . 476 . . 40 ALA HA . 27143 1 469 . 1 1 40 40 ALA HB1 H 1 0.859 0.001 . 1 . . 477 . . 40 ALA HB1 . 27143 1 470 . 1 1 40 40 ALA HB2 H 1 0.859 0.001 . 1 . . 477 . . 40 ALA HB2 . 27143 1 471 . 1 1 40 40 ALA HB3 H 1 0.859 0.001 . 1 . . 477 . . 40 ALA HB3 . 27143 1 472 . 1 1 40 40 ALA C C 13 174.974 . . 1 . . 403 . . 40 ALA C . 27143 1 473 . 1 1 40 40 ALA CA C 13 49.753 0.023 . 1 . . 277 . . 40 ALA CA . 27143 1 474 . 1 1 40 40 ALA CB C 13 20.499 0.042 . 1 . . 278 . . 40 ALA CB . 27143 1 475 . 1 1 40 40 ALA N N 15 129.358 0.026 . 1 . . 194 . . 40 ALA N . 27143 1 476 . 1 1 41 41 GLU H H 1 8.768 0.001 . 1 . . 86 . . 41 GLU H . 27143 1 477 . 1 1 41 41 GLU HA H 1 5.028 0.001 . 1 . . 656 . . 41 GLU HA . 27143 1 478 . 1 1 41 41 GLU HB2 H 1 1.734 0.002 . 2 . . 657 . . 41 GLU HB2 . 27143 1 479 . 1 1 41 41 GLU HB3 H 1 1.778 0.002 . 2 . . 658 . . 41 GLU HB3 . 27143 1 480 . 1 1 41 41 GLU HG2 H 1 1.869 0.001 . 2 . . 659 . . 41 GLU HG2 . 27143 1 481 . 1 1 41 41 GLU HG3 H 1 2.043 0.001 . 2 . . 660 . . 41 GLU HG3 . 27143 1 482 . 1 1 41 41 GLU C C 13 175.291 . . 1 . . 404 . . 41 GLU C . 27143 1 483 . 1 1 41 41 GLU CA C 13 54.397 0.017 . 1 . . 276 . . 41 GLU CA . 27143 1 484 . 1 1 41 41 GLU CB C 13 32.167 0.019 . 1 . . 275 . . 41 GLU CB . 27143 1 485 . 1 1 41 41 GLU CG C 13 37.084 0.005 . 1 . . 661 . . 41 GLU CG . 27143 1 486 . 1 1 41 41 GLU N N 15 120.974 0.003 . 1 . . 87 . . 41 GLU N . 27143 1 487 . 1 1 42 42 LEU H H 1 9.34 0.002 . 1 . . 68 . . 42 LEU H . 27143 1 488 . 1 1 42 42 LEU HA H 1 5.448 0.01 . 1 . . 587 . . 42 LEU HA . 27143 1 489 . 1 1 42 42 LEU HB2 H 1 1.071 0.002 . 2 . . 588 . . 42 LEU HB2 . 27143 1 490 . 1 1 42 42 LEU HB3 H 1 1.52 0.013 . 2 . . 589 . . 42 LEU HB3 . 27143 1 491 . 1 1 42 42 LEU HG H 1 1.539 0.012 . 1 . . 595 . . 42 LEU HG . 27143 1 492 . 1 1 42 42 LEU HD11 H 1 0.554 0.001 . 2 . . 593 . . 42 LEU HD11 . 27143 1 493 . 1 1 42 42 LEU HD12 H 1 0.554 0.001 . 2 . . 593 . . 42 LEU HD12 . 27143 1 494 . 1 1 42 42 LEU HD13 H 1 0.554 0.001 . 2 . . 593 . . 42 LEU HD13 . 27143 1 495 . 1 1 42 42 LEU HD21 H 1 0.621 0.001 . 2 . . 594 . . 42 LEU HD21 . 27143 1 496 . 1 1 42 42 LEU HD22 H 1 0.621 0.001 . 2 . . 594 . . 42 LEU HD22 . 27143 1 497 . 1 1 42 42 LEU HD23 H 1 0.621 0.001 . 2 . . 594 . . 42 LEU HD23 . 27143 1 498 . 1 1 42 42 LEU C C 13 178.673 . . 1 . . 405 . . 42 LEU C . 27143 1 499 . 1 1 42 42 LEU CA C 13 52.573 0.018 . 1 . . 274 . . 42 LEU CA . 27143 1 500 . 1 1 42 42 LEU CB C 13 42.88 0.012 . 1 . . 273 . . 42 LEU CB . 27143 1 501 . 1 1 42 42 LEU CG C 13 28.359 0.033 . 1 . . 590 . . 42 LEU CG . 27143 1 502 . 1 1 42 42 LEU CD1 C 13 24.035 0.011 . 2 . . 592 . . 42 LEU CD1 . 27143 1 503 . 1 1 42 42 LEU CD2 C 13 25.422 0.007 . 2 . . 591 . . 42 LEU CD2 . 27143 1 504 . 1 1 42 42 LEU N N 15 125.834 0.017 . 1 . . 69 . . 42 LEU N . 27143 1 505 . 1 1 43 43 SER H H 1 8.935 0.001 . 1 . . 76 . . 43 SER H . 27143 1 506 . 1 1 43 43 SER HA H 1 4.619 0.001 . 1 . . 481 . . 43 SER HA . 27143 1 507 . 1 1 43 43 SER HB2 H 1 4.449 0.003 . 2 . . 482 . . 43 SER HB2 . 27143 1 508 . 1 1 43 43 SER HB3 H 1 3.811 0.002 . 2 . . 483 . . 43 SER HB3 . 27143 1 509 . 1 1 43 43 SER C C 13 177.284 . . 1 . . 406 . . 43 SER C . 27143 1 510 . 1 1 43 43 SER CA C 13 58.397 0.008 . 1 . . 272 . . 43 SER CA . 27143 1 511 . 1 1 43 43 SER CB C 13 62.547 0.016 . 1 . . 271 . . 43 SER CB . 27143 1 512 . 1 1 43 43 SER N N 15 120.951 0.01 . 1 . . 77 . . 43 SER N . 27143 1 513 . 1 1 44 44 THR H H 1 7.806 0.001 . 1 . . 72 . . 44 THR H . 27143 1 514 . 1 1 44 44 THR HA H 1 4.058 0.002 . 1 . . 499 . . 44 THR HA . 27143 1 515 . 1 1 44 44 THR HB H 1 4.252 0.002 . 1 . . 500 . . 44 THR HB . 27143 1 516 . 1 1 44 44 THR HG21 H 1 0.519 0.001 . 1 . . 501 . . 44 THR HG21 . 27143 1 517 . 1 1 44 44 THR HG22 H 1 0.519 0.001 . 1 . . 501 . . 44 THR HG22 . 27143 1 518 . 1 1 44 44 THR HG23 H 1 0.519 0.001 . 1 . . 501 . . 44 THR HG23 . 27143 1 519 . 1 1 44 44 THR C C 13 173.106 . . 1 . . 407 . . 44 THR C . 27143 1 520 . 1 1 44 44 THR CA C 13 62.021 0.047 . 1 . . 269 . . 44 THR CA . 27143 1 521 . 1 1 44 44 THR CB C 13 70.711 0.023 . 1 . . 270 . . 44 THR CB . 27143 1 522 . 1 1 44 44 THR CG2 C 13 20.749 0.02 . 1 . . 502 . . 44 THR CG2 . 27143 1 523 . 1 1 44 44 THR N N 15 111.547 0.005 . 1 . . 73 . . 44 THR N . 27143 1 524 . 1 1 45 45 SER H H 1 8.522 0.001 . 1 . . 66 . . 45 SER H . 27143 1 525 . 1 1 45 45 SER HA H 1 4.761 0.001 . 1 . . 478 . . 45 SER HA . 27143 1 526 . 1 1 45 45 SER HB2 H 1 3.798 0 . 2 . . 479 . . 45 SER HB2 . 27143 1 527 . 1 1 45 45 SER HB3 H 1 3.64 0.002 . 2 . . 480 . . 45 SER HB3 . 27143 1 528 . 1 1 45 45 SER CA C 13 54.147 0.019 . 1 . . 337 . . 45 SER CA . 27143 1 529 . 1 1 45 45 SER CB C 13 64.137 0.04 . 1 . . 338 . . 45 SER CB . 27143 1 530 . 1 1 45 45 SER N N 15 114.164 0.005 . 1 . . 67 . . 45 SER N . 27143 1 531 . 1 1 46 46 PRO HA H 1 4.876 0.002 . 1 . . 520 . . 46 PRO HA . 27143 1 532 . 1 1 46 46 PRO HB2 H 1 2.088 0.001 . 2 . . 521 . . 46 PRO HB2 . 27143 1 533 . 1 1 46 46 PRO HB3 H 1 2.43 0.001 . 2 . . 522 . . 46 PRO HB3 . 27143 1 534 . 1 1 46 46 PRO HG2 H 1 1.912 0.002 . 2 . . 524 . . 46 PRO HG2 . 27143 1 535 . 1 1 46 46 PRO HG3 H 1 1.758 0.002 . 2 . . 525 . . 46 PRO HG3 . 27143 1 536 . 1 1 46 46 PRO HD2 H 1 3.466 0.003 . 2 . . 527 . . 46 PRO HD2 . 27143 1 537 . 1 1 46 46 PRO HD3 H 1 3.552 0.003 . 2 . . 528 . . 46 PRO HD3 . 27143 1 538 . 1 1 46 46 PRO C C 13 176.981 . . 1 . . 408 . . 46 PRO C . 27143 1 539 . 1 1 46 46 PRO CA C 13 63.215 0.047 . 1 . . 329 . . 46 PRO CA . 27143 1 540 . 1 1 46 46 PRO CB C 13 34.964 0.016 . 1 . . 330 . . 46 PRO CB . 27143 1 541 . 1 1 46 46 PRO CG C 13 25.038 0.015 . 1 . . 523 . . 46 PRO CG . 27143 1 542 . 1 1 46 46 PRO CD C 13 50.064 0.033 . 1 . . 526 . . 46 PRO CD . 27143 1 543 . 1 1 47 47 ILE H H 1 8.518 0.001 . 1 . . 181 . . 47 ILE H . 27143 1 544 . 1 1 47 47 ILE HA H 1 3.948 0.002 . 1 . . 765 . . 47 ILE HA . 27143 1 545 . 1 1 47 47 ILE HB H 1 1.679 0.004 . 1 . . 764 . . 47 ILE HB . 27143 1 546 . 1 1 47 47 ILE HG12 H 1 1.151 0.007 . 2 . . 767 . . 47 ILE HG12 . 27143 1 547 . 1 1 47 47 ILE HG13 H 1 1.586 0.006 . 2 . . 768 . . 47 ILE HG13 . 27143 1 548 . 1 1 47 47 ILE HG21 H 1 0.852 0.003 . 1 . . 770 . . 47 ILE HG21 . 27143 1 549 . 1 1 47 47 ILE HG22 H 1 0.852 0.003 . 1 . . 770 . . 47 ILE HG22 . 27143 1 550 . 1 1 47 47 ILE HG23 H 1 0.852 0.003 . 1 . . 770 . . 47 ILE HG23 . 27143 1 551 . 1 1 47 47 ILE HD11 H 1 0.803 0.002 . 1 . . 772 . . 47 ILE HD11 . 27143 1 552 . 1 1 47 47 ILE HD12 H 1 0.803 0.002 . 1 . . 772 . . 47 ILE HD12 . 27143 1 553 . 1 1 47 47 ILE HD13 H 1 0.803 0.002 . 1 . . 772 . . 47 ILE HD13 . 27143 1 554 . 1 1 47 47 ILE C C 13 175.752 . . 1 . . 409 . . 47 ILE C . 27143 1 555 . 1 1 47 47 ILE CA C 13 63.044 0.035 . 1 . . 216 . . 47 ILE CA . 27143 1 556 . 1 1 47 47 ILE CB C 13 39.388 0.017 . 1 . . 215 . . 47 ILE CB . 27143 1 557 . 1 1 47 47 ILE CG1 C 13 28.064 0.042 . 1 . . 766 . . 47 ILE CG1 . 27143 1 558 . 1 1 47 47 ILE CG2 C 13 17.092 0.018 . 1 . . 769 . . 47 ILE CG2 . 27143 1 559 . 1 1 47 47 ILE CD1 C 13 13.481 0.009 . 1 . . 771 . . 47 ILE CD1 . 27143 1 560 . 1 1 47 47 ILE N N 15 122.569 0.026 . 1 . . 182 . . 47 ILE N . 27143 1 561 . 1 1 48 48 THR H H 1 7.794 0.001 . 1 . . 140 . . 48 THR H . 27143 1 562 . 1 1 48 48 THR HA H 1 4.256 0.002 . 1 . . 495 . . 48 THR HA . 27143 1 563 . 1 1 48 48 THR HB H 1 3.679 0.001 . 1 . . 496 . . 48 THR HB . 27143 1 564 . 1 1 48 48 THR HG21 H 1 0.698 0.002 . 1 . . 497 . . 48 THR HG21 . 27143 1 565 . 1 1 48 48 THR HG22 H 1 0.698 0.002 . 1 . . 497 . . 48 THR HG22 . 27143 1 566 . 1 1 48 48 THR HG23 H 1 0.698 0.002 . 1 . . 497 . . 48 THR HG23 . 27143 1 567 . 1 1 48 48 THR C C 13 172.385 . . 1 . . 410 . . 48 THR C . 27143 1 568 . 1 1 48 48 THR CA C 13 62.502 0.034 . 1 . . 214 . . 48 THR CA . 27143 1 569 . 1 1 48 48 THR CB C 13 70.278 0.037 . 1 . . 213 . . 48 THR CB . 27143 1 570 . 1 1 48 48 THR CG2 C 13 20.989 0.012 . 1 . . 498 . . 48 THR CG2 . 27143 1 571 . 1 1 48 48 THR N N 15 123.565 0.01 . 1 . . 141 . . 48 THR N . 27143 1 572 . 1 1 49 49 VAL H H 1 8.519 0.003 . 1 . . 5 . . 49 VAL H . 27143 1 573 . 1 1 49 49 VAL HA H 1 4.792 0.001 . 1 . . 507 . . 49 VAL HA . 27143 1 574 . 1 1 49 49 VAL HB H 1 1.817 0.001 . 1 . . 508 . . 49 VAL HB . 27143 1 575 . 1 1 49 49 VAL HG11 H 1 0.672 0.001 . 2 . . 509 . . 49 VAL HG11 . 27143 1 576 . 1 1 49 49 VAL HG12 H 1 0.672 0.001 . 2 . . 509 . . 49 VAL HG12 . 27143 1 577 . 1 1 49 49 VAL HG13 H 1 0.672 0.001 . 2 . . 509 . . 49 VAL HG13 . 27143 1 578 . 1 1 49 49 VAL HG21 H 1 0.788 0.001 . 2 . . 510 . . 49 VAL HG21 . 27143 1 579 . 1 1 49 49 VAL HG22 H 1 0.788 0.001 . 2 . . 510 . . 49 VAL HG22 . 27143 1 580 . 1 1 49 49 VAL HG23 H 1 0.788 0.001 . 2 . . 510 . . 49 VAL HG23 . 27143 1 581 . 1 1 49 49 VAL C C 13 175.885 . . 1 . . 411 . . 49 VAL C . 27143 1 582 . 1 1 49 49 VAL CA C 13 61.137 0.045 . 1 . . 255 . . 49 VAL CA . 27143 1 583 . 1 1 49 49 VAL CB C 13 33.544 0.02 . 1 . . 254 . . 49 VAL CB . 27143 1 584 . 1 1 49 49 VAL CG1 C 13 21.383 0.011 . 2 . . 511 . . 49 VAL CG1 . 27143 1 585 . 1 1 49 49 VAL CG2 C 13 21.235 0.013 . 2 . . 512 . . 49 VAL CG2 . 27143 1 586 . 1 1 49 49 VAL N N 15 127.156 0.029 . 1 . . 6 . . 49 VAL N . 27143 1 587 . 1 1 50 50 CYS H H 1 9.068 0.002 . 1 . . 122 . . 50 CYS H . 27143 1 588 . 1 1 50 50 CYS HA H 1 4.765 0 . 1 . . 640 . . 50 CYS HA . 27143 1 589 . 1 1 50 50 CYS HB2 H 1 2.386 0.002 . 2 . . 641 . . 50 CYS HB2 . 27143 1 590 . 1 1 50 50 CYS HB3 H 1 2.967 0.001 . 2 . . 642 . . 50 CYS HB3 . 27143 1 591 . 1 1 50 50 CYS C C 13 172.377 . . 1 . . 412 . . 50 CYS C . 27143 1 592 . 1 1 50 50 CYS CA C 13 57.202 0.008 . 1 . . 253 . . 50 CYS CA . 27143 1 593 . 1 1 50 50 CYS CB C 13 31.878 0.014 . 1 . . 252 . . 50 CYS CB . 27143 1 594 . 1 1 50 50 CYS N N 15 124.672 0.007 . 1 . . 123 . . 50 CYS N . 27143 1 595 . 1 1 51 51 HIS H H 1 8.899 0.005 . 1 . . 160 . . 51 HIS H . 27143 1 596 . 1 1 51 51 HIS HA H 1 5.46 0.003 . 1 . . 732 . . 51 HIS HA . 27143 1 597 . 1 1 51 51 HIS HB2 H 1 2.935 0.002 . 2 . . 733 . . 51 HIS HB2 . 27143 1 598 . 1 1 51 51 HIS HB3 H 1 3.28 0.001 . 2 . . 734 . . 51 HIS HB3 . 27143 1 599 . 1 1 51 51 HIS HD2 H 1 6.872 . . 1 . . 859 . . 51 HIS HD2 . 27143 1 600 . 1 1 51 51 HIS C C 13 174.387 . . 1 . . 413 . . 51 HIS C . 27143 1 601 . 1 1 51 51 HIS CA C 13 55.916 0.049 . 1 . . 250 . . 51 HIS CA . 27143 1 602 . 1 1 51 51 HIS CB C 13 32.801 0.057 . 1 . . 251 . . 51 HIS CB . 27143 1 603 . 1 1 51 51 HIS CD2 C 13 121.188 . . 1 . . 860 . . 51 HIS CD2 . 27143 1 604 . 1 1 51 51 HIS N N 15 121.665 0.032 . 1 . . 161 . . 51 HIS N . 27143 1 605 . 1 1 52 52 GLY H H 1 8.963 0.003 . 1 . . 177 . . 52 GLY H . 27143 1 606 . 1 1 52 52 GLY HA2 H 1 4.81 0.003 . 2 . . 556 . . 52 GLY HA2 . 27143 1 607 . 1 1 52 52 GLY HA3 H 1 3.905 0.001 . 2 . . 558 . . 52 GLY HA3 . 27143 1 608 . 1 1 52 52 GLY C C 13 172.669 . . 1 . . 414 . . 52 GLY C . 27143 1 609 . 1 1 52 52 GLY CA C 13 44.462 0.02 . 1 . . 249 . . 52 GLY CA . 27143 1 610 . 1 1 52 52 GLY N N 15 108.69 0.007 . 1 . . 178 . . 52 GLY N . 27143 1 611 . 1 1 53 53 SER H H 1 10.068 0.001 . 1 . . 183 . . 53 SER H . 27143 1 612 . 1 1 53 53 SER HA H 1 5.924 0.003 . 1 . . 454 . . 53 SER HA . 27143 1 613 . 1 1 53 53 SER HB2 H 1 3.872 0.001 . 2 . . 455 . . 53 SER HB2 . 27143 1 614 . 1 1 53 53 SER HB3 H 1 3.828 0.001 . 2 . . 456 . . 53 SER HB3 . 27143 1 615 . 1 1 53 53 SER C C 13 173.903 . . 1 . . 415 . . 53 SER C . 27143 1 616 . 1 1 53 53 SER CA C 13 56.938 0.021 . 1 . . 247 . . 53 SER CA . 27143 1 617 . 1 1 53 53 SER CB C 13 67.017 0.028 . 1 . . 248 . . 53 SER CB . 27143 1 618 . 1 1 53 53 SER N N 15 116.598 0.008 . 1 . . 184 . . 53 SER N . 27143 1 619 . 1 1 54 54 GLY H H 1 8.702 0.001 . 1 . . 49 . . 54 GLY H . 27143 1 620 . 1 1 54 54 GLY HA2 H 1 3.91 0.002 . 2 . . 562 . . 54 GLY HA2 . 27143 1 621 . 1 1 54 54 GLY HA3 H 1 4.43 0.002 . 2 . . 563 . . 54 GLY HA3 . 27143 1 622 . 1 1 54 54 GLY C C 13 172.592 . . 1 . . 416 . . 54 GLY C . 27143 1 623 . 1 1 54 54 GLY CA C 13 46.335 0.025 . 1 . . 246 . . 54 GLY CA . 27143 1 624 . 1 1 54 54 GLY N N 15 106.113 0.006 . 1 . . 50 . . 54 GLY N . 27143 1 625 . 1 1 55 55 ILE H H 1 8.699 0.001 . 1 . . 96 . . 55 ILE H . 27143 1 626 . 1 1 55 55 ILE HA H 1 4.599 0.002 . 1 . . 774 . . 55 ILE HA . 27143 1 627 . 1 1 55 55 ILE HB H 1 2.301 0.001 . 1 . . 773 . . 55 ILE HB . 27143 1 628 . 1 1 55 55 ILE HG12 H 1 1.29 0.002 . 2 . . 776 . . 55 ILE HG12 . 27143 1 629 . 1 1 55 55 ILE HG13 H 1 1.38 0.003 . 2 . . 777 . . 55 ILE HG13 . 27143 1 630 . 1 1 55 55 ILE HG21 H 1 1.068 0.001 . 1 . . 779 . . 55 ILE HG21 . 27143 1 631 . 1 1 55 55 ILE HG22 H 1 1.068 0.001 . 1 . . 779 . . 55 ILE HG22 . 27143 1 632 . 1 1 55 55 ILE HG23 H 1 1.068 0.001 . 1 . . 779 . . 55 ILE HG23 . 27143 1 633 . 1 1 55 55 ILE HD11 H 1 0.922 0.002 . 1 . . 781 . . 55 ILE HD11 . 27143 1 634 . 1 1 55 55 ILE HD12 H 1 0.922 0.002 . 1 . . 781 . . 55 ILE HD12 . 27143 1 635 . 1 1 55 55 ILE HD13 H 1 0.922 0.002 . 1 . . 781 . . 55 ILE HD13 . 27143 1 636 . 1 1 55 55 ILE C C 13 174.547 . . 1 . . 417 . . 55 ILE C . 27143 1 637 . 1 1 55 55 ILE CA C 13 62.596 0.02 . 1 . . 245 . . 55 ILE CA . 27143 1 638 . 1 1 55 55 ILE CB C 13 38.516 0.028 . 1 . . 244 . . 55 ILE CB . 27143 1 639 . 1 1 55 55 ILE CG1 C 13 26.737 0.029 . 1 . . 775 . . 55 ILE CG1 . 27143 1 640 . 1 1 55 55 ILE CG2 C 13 18.405 0.01 . 1 . . 778 . . 55 ILE CG2 . 27143 1 641 . 1 1 55 55 ILE CD1 C 13 14.251 0.028 . 1 . . 780 . . 55 ILE CD1 . 27143 1 642 . 1 1 55 55 ILE N N 15 113.518 0.006 . 1 . . 97 . . 55 ILE N . 27143 1 643 . 1 1 56 56 SER H H 1 7.649 0.001 . 1 . . 134 . . 56 SER H . 27143 1 644 . 1 1 56 56 SER HA H 1 4.223 0.002 . 1 . . 451 . . 56 SER HA . 27143 1 645 . 1 1 56 56 SER HB2 H 1 3.949 0.001 . 2 . . 452 . . 56 SER HB2 . 27143 1 646 . 1 1 56 56 SER HB3 H 1 3.794 0.003 . 2 . . 453 . . 56 SER HB3 . 27143 1 647 . 1 1 56 56 SER C C 13 174.064 . . 1 . . 418 . . 56 SER C . 27143 1 648 . 1 1 56 56 SER CA C 13 55.663 0.066 . 1 . . 243 . . 56 SER CA . 27143 1 649 . 1 1 56 56 SER CB C 13 66.769 0.02 . 1 . . 242 . . 56 SER CB . 27143 1 650 . 1 1 56 56 SER N N 15 112.746 0.022 . 1 . . 135 . . 56 SER N . 27143 1 651 . 1 1 57 57 CYS H H 1 8.756 0.001 . 1 . . 43 . . 57 CYS H . 27143 1 652 . 1 1 57 57 CYS HA H 1 3.863 0.002 . 1 . . 607 . . 57 CYS HA . 27143 1 653 . 1 1 57 57 CYS HB2 H 1 2.639 0.002 . 2 . . 605 . . 57 CYS HB2 . 27143 1 654 . 1 1 57 57 CYS HB3 H 1 2.741 0.001 . 2 . . 606 . . 57 CYS HB3 . 27143 1 655 . 1 1 57 57 CYS C C 13 177.939 . . 1 . . 419 . . 57 CYS C . 27143 1 656 . 1 1 57 57 CYS CA C 13 62.201 0.011 . 1 . . 301 . . 57 CYS CA . 27143 1 657 . 1 1 57 57 CYS CB C 13 26.108 0.029 . 1 . . 302 . . 57 CYS CB . 27143 1 658 . 1 1 57 57 CYS N N 15 121.972 0.01 . 1 . . 44 . . 57 CYS N . 27143 1 659 . 1 1 58 58 GLY H H 1 8.779 0.001 . 1 . . 124 . . 58 GLY H . 27143 1 660 . 1 1 58 58 GLY HA2 H 1 3.714 0 . 2 . . 566 . . 58 GLY HA2 . 27143 1 661 . 1 1 58 58 GLY HA3 H 1 3.776 0.001 . 2 . . 567 . . 58 GLY HA3 . 27143 1 662 . 1 1 58 58 GLY C C 13 176.606 . . 1 . . 420 . . 58 GLY C . 27143 1 663 . 1 1 58 58 GLY CA C 13 46.958 0.021 . 1 . . 316 . . 58 GLY CA . 27143 1 664 . 1 1 58 58 GLY N N 15 109.07 0.009 . 1 . . 125 . . 58 GLY N . 27143 1 665 . 1 1 59 59 ASN H H 1 7.934 0.001 . 1 . . 150 . . 59 ASN H . 27143 1 666 . 1 1 59 59 ASN HA H 1 4.517 0.007 . 1 . . 535 . . 59 ASN HA . 27143 1 667 . 1 1 59 59 ASN HB2 H 1 2.715 0.001 . 2 . . 536 . . 59 ASN HB2 . 27143 1 668 . 1 1 59 59 ASN HB3 H 1 2.958 0.001 . 2 . . 537 . . 59 ASN HB3 . 27143 1 669 . 1 1 59 59 ASN HD21 H 1 7.649 0.002 . 1 . . 47 . . 59 ASN HD21 . 27143 1 670 . 1 1 59 59 ASN HD22 H 1 7.197 0.002 . 1 . . 163 . . 59 ASN HD22 . 27143 1 671 . 1 1 59 59 ASN C C 13 177.708 . . 1 . . 421 . . 59 ASN C . 27143 1 672 . 1 1 59 59 ASN CA C 13 55.961 0.052 . 1 . . 358 . . 59 ASN CA . 27143 1 673 . 1 1 59 59 ASN CB C 13 38.363 0.027 . 1 . . 357 . . 59 ASN CB . 27143 1 674 . 1 1 59 59 ASN CG C 13 175.753 0.013 . 1 . . 446 . . 59 ASN CG . 27143 1 675 . 1 1 59 59 ASN N N 15 121.561 0.01 . 1 . . 151 . . 59 ASN N . 27143 1 676 . 1 1 59 59 ASN ND2 N 15 110.904 0.003 . 1 . . 48 . . 59 ASN ND2 . 27143 1 677 . 1 1 60 60 ALA H H 1 8.146 0.001 . 1 . . 170 . . 60 ALA H . 27143 1 678 . 1 1 60 60 ALA HA H 1 3.784 0.001 . 1 . . 654 . . 60 ALA HA . 27143 1 679 . 1 1 60 60 ALA HB1 H 1 1.288 0.002 . 1 . . 655 . . 60 ALA HB1 . 27143 1 680 . 1 1 60 60 ALA HB2 H 1 1.288 0.002 . 1 . . 655 . . 60 ALA HB2 . 27143 1 681 . 1 1 60 60 ALA HB3 H 1 1.288 0.002 . 1 . . 655 . . 60 ALA HB3 . 27143 1 682 . 1 1 60 60 ALA C C 13 178.772 . . 1 . . 422 . . 60 ALA C . 27143 1 683 . 1 1 60 60 ALA CA C 13 55.415 0.037 . 1 . . 322 . . 60 ALA CA . 27143 1 684 . 1 1 60 60 ALA CB C 13 17.656 0.006 . 1 . . 323 . . 60 ALA CB . 27143 1 685 . 1 1 60 60 ALA N N 15 123.709 0.009 . 1 . . 171 . . 60 ALA N . 27143 1 686 . 1 1 61 61 GLN H H 1 7.754 0.001 . 1 . . 21 . . 61 GLN H . 27143 1 687 . 1 1 61 61 GLN HA H 1 4.203 0.002 . 1 . . 721 . . 61 GLN HA . 27143 1 688 . 1 1 61 61 GLN HB2 H 1 1.692 0.003 . 2 . . 720 . . 61 GLN HB2 . 27143 1 689 . 1 1 61 61 GLN HB3 H 1 1.983 0.003 . 2 . . 722 . . 61 GLN HB3 . 27143 1 690 . 1 1 61 61 GLN HG2 H 1 1.978 0.003 . 2 . . 723 . . 61 GLN HG2 . 27143 1 691 . 1 1 61 61 GLN HG3 H 1 2.246 0.002 . 2 . . 724 . . 61 GLN HG3 . 27143 1 692 . 1 1 61 61 GLN HE21 H 1 6.939 0.01 . 1 . . 98 . . 61 GLN HE21 . 27143 1 693 . 1 1 61 61 GLN HE22 H 1 6.371 0.004 . 1 . . 157 . . 61 GLN HE22 . 27143 1 694 . 1 1 61 61 GLN C C 13 177.938 . . 1 . . 423 . . 61 GLN C . 27143 1 695 . 1 1 61 61 GLN CA C 13 59.16 0.026 . 1 . . 231 . . 61 GLN CA . 27143 1 696 . 1 1 61 61 GLN CB C 13 27.496 0.051 . 1 . . 351 . . 61 GLN CB . 27143 1 697 . 1 1 61 61 GLN CG C 13 33.049 0.05 . 1 . . 352 . . 61 GLN CG . 27143 1 698 . 1 1 61 61 GLN CD C 13 179.2 0.044 . 1 . . 441 . . 61 GLN CD . 27143 1 699 . 1 1 61 61 GLN N N 15 118.816 0.015 . 1 . . 22 . . 61 GLN N . 27143 1 700 . 1 1 61 61 GLN NE2 N 15 110.686 0 . 1 . . 99 . . 61 GLN NE2 . 27143 1 701 . 1 1 62 62 SER H H 1 8 0.001 . 1 . . 17 . . 62 SER H . 27143 1 702 . 1 1 62 62 SER HA H 1 4.149 . . 1 . . 837 . . 62 SER HA . 27143 1 703 . 1 1 62 62 SER HB2 H 1 4.137 . . 2 . . 838 . . 62 SER HB2 . 27143 1 704 . 1 1 62 62 SER HB3 H 1 4.18 . . 2 . . 839 . . 62 SER HB3 . 27143 1 705 . 1 1 62 62 SER C C 13 176.357 . . 1 . . 424 . . 62 SER C . 27143 1 706 . 1 1 62 62 SER CA C 13 62.004 0.089 . 1 . . 319 . . 62 SER CA . 27143 1 707 . 1 1 62 62 SER CB C 13 62.982 0.036 . 1 . . 334 . . 62 SER CB . 27143 1 708 . 1 1 62 62 SER N N 15 113.544 0.012 . 1 . . 18 . . 62 SER N . 27143 1 709 . 1 1 63 63 ASP H H 1 8.246 0.001 . 1 . . 146 . . 63 ASP H . 27143 1 710 . 1 1 63 63 ASP HA H 1 4.576 0.002 . 1 . . 553 . . 63 ASP HA . 27143 1 711 . 1 1 63 63 ASP HB2 H 1 2.84 0 . 2 . . 554 . . 63 ASP HB2 . 27143 1 712 . 1 1 63 63 ASP HB3 H 1 2.931 0.003 . 2 . . 555 . . 63 ASP HB3 . 27143 1 713 . 1 1 63 63 ASP C C 13 177.895 . . 1 . . 425 . . 63 ASP C . 27143 1 714 . 1 1 63 63 ASP CA C 13 57.711 0.014 . 1 . . 295 . . 63 ASP CA . 27143 1 715 . 1 1 63 63 ASP CB C 13 42.993 0.013 . 1 . . 296 . . 63 ASP CB . 27143 1 716 . 1 1 63 63 ASP N N 15 120.694 0.014 . 1 . . 147 . . 63 ASP N . 27143 1 717 . 1 1 64 64 ALA H H 1 8.334 0.001 . 1 . . 114 . . 64 ALA H . 27143 1 718 . 1 1 64 64 ALA HA H 1 3.901 0.002 . 1 . . 652 . . 64 ALA HA . 27143 1 719 . 1 1 64 64 ALA HB1 H 1 1.409 0.002 . 1 . . 653 . . 64 ALA HB1 . 27143 1 720 . 1 1 64 64 ALA HB2 H 1 1.409 0.002 . 1 . . 653 . . 64 ALA HB2 . 27143 1 721 . 1 1 64 64 ALA HB3 H 1 1.409 0.002 . 1 . . 653 . . 64 ALA HB3 . 27143 1 722 . 1 1 64 64 ALA C C 13 179.43 . . 1 . . 426 . . 64 ALA C . 27143 1 723 . 1 1 64 64 ALA CA C 13 55.55 0.035 . 1 . . 320 . . 64 ALA CA . 27143 1 724 . 1 1 64 64 ALA CB C 13 17.594 0.038 . 1 . . 321 . . 64 ALA CB . 27143 1 725 . 1 1 64 64 ALA N N 15 122.312 0.018 . 1 . . 115 . . 64 ALA N . 27143 1 726 . 1 1 65 65 ALA H H 1 8.43 0.002 . 1 . . 64 . . 65 ALA H . 27143 1 727 . 1 1 65 65 ALA HA H 1 4.086 0.001 . 1 . . 651 . . 65 ALA HA . 27143 1 728 . 1 1 65 65 ALA HB1 H 1 1.694 0.001 . 1 . . 650 . . 65 ALA HB1 . 27143 1 729 . 1 1 65 65 ALA HB2 H 1 1.694 0.001 . 1 . . 650 . . 65 ALA HB2 . 27143 1 730 . 1 1 65 65 ALA HB3 H 1 1.694 0.001 . 1 . . 650 . . 65 ALA HB3 . 27143 1 731 . 1 1 65 65 ALA C C 13 179.551 . . 1 . . 427 . . 65 ALA C . 27143 1 732 . 1 1 65 65 ALA CA C 13 55.15 0.06 . 1 . . 219 . . 65 ALA CA . 27143 1 733 . 1 1 65 65 ALA CB C 13 18.073 0.048 . 1 . . 220 . . 65 ALA CB . 27143 1 734 . 1 1 65 65 ALA N N 15 119.91 0.003 . 1 . . 65 . . 65 ALA N . 27143 1 735 . 1 1 66 66 HIS H H 1 8.709 0.001 . 1 . . 11 . . 66 HIS H . 27143 1 736 . 1 1 66 66 HIS HA H 1 3.751 0.001 . 1 . . 729 . . 66 HIS HA . 27143 1 737 . 1 1 66 66 HIS HB2 H 1 3.396 0.001 . 2 . . 730 . . 66 HIS HB2 . 27143 1 738 . 1 1 66 66 HIS HB3 H 1 2.492 0.001 . 2 . . 731 . . 66 HIS HB3 . 27143 1 739 . 1 1 66 66 HIS HD2 H 1 6.473 . . 1 . . 861 . . 66 HIS HD2 . 27143 1 740 . 1 1 66 66 HIS C C 13 177.238 . . 1 . . 428 . . 66 HIS C . 27143 1 741 . 1 1 66 66 HIS CA C 13 58.382 0.026 . 1 . . 232 . . 66 HIS CA . 27143 1 742 . 1 1 66 66 HIS CB C 13 28.51 0.024 . 1 . . 233 . . 66 HIS CB . 27143 1 743 . 1 1 66 66 HIS CD2 C 13 119.855 . . 1 . . 862 . . 66 HIS CD2 . 27143 1 744 . 1 1 66 66 HIS N N 15 118.044 0.02 . 1 . . 12 . . 66 HIS N . 27143 1 745 . 1 1 67 67 ASN H H 1 8.558 0.001 . 1 . . 90 . . 67 ASN H . 27143 1 746 . 1 1 67 67 ASN HA H 1 4.391 0.001 . 1 . . 538 . . 67 ASN HA . 27143 1 747 . 1 1 67 67 ASN HB2 H 1 2.958 0.003 . 2 . . 539 . . 67 ASN HB2 . 27143 1 748 . 1 1 67 67 ASN HB3 H 1 2.875 0.001 . 2 . . 540 . . 67 ASN HB3 . 27143 1 749 . 1 1 67 67 ASN HD21 H 1 8.132 0.002 . 1 . . 82 . . 67 ASN HD21 . 27143 1 750 . 1 1 67 67 ASN HD22 H 1 7.018 0.003 . 1 . . 174 . . 67 ASN HD22 . 27143 1 751 . 1 1 67 67 ASN C C 13 178.38 . . 1 . . 429 . . 67 ASN C . 27143 1 752 . 1 1 67 67 ASN CA C 13 56.119 0.019 . 1 . . 354 . . 67 ASN CA . 27143 1 753 . 1 1 67 67 ASN CB C 13 37.243 0.038 . 1 . . 353 . . 67 ASN CB . 27143 1 754 . 1 1 67 67 ASN CG C 13 175.801 0.044 . 1 . . 449 . . 67 ASN CG . 27143 1 755 . 1 1 67 67 ASN N N 15 118.919 0.01 . 1 . . 91 . . 67 ASN N . 27143 1 756 . 1 1 67 67 ASN ND2 N 15 114.483 0.001 . 1 . . 83 . . 67 ASN ND2 . 27143 1 757 . 1 1 68 68 ALA H H 1 8.669 0.001 . 1 . . 25 . . 68 ALA H . 27143 1 758 . 1 1 68 68 ALA HA H 1 4.479 0.002 . 1 . . 649 . . 68 ALA HA . 27143 1 759 . 1 1 68 68 ALA HB1 H 1 1.459 0.001 . 1 . . 648 . . 68 ALA HB1 . 27143 1 760 . 1 1 68 68 ALA HB2 H 1 1.459 0.001 . 1 . . 648 . . 68 ALA HB2 . 27143 1 761 . 1 1 68 68 ALA HB3 H 1 1.459 0.001 . 1 . . 648 . . 68 ALA HB3 . 27143 1 762 . 1 1 68 68 ALA C C 13 179.088 . . 1 . . 430 . . 68 ALA C . 27143 1 763 . 1 1 68 68 ALA CA C 13 55.74 0.037 . 1 . . 290 . . 68 ALA CA . 27143 1 764 . 1 1 68 68 ALA CB C 13 18.804 0.034 . 1 . . 289 . . 68 ALA CB . 27143 1 765 . 1 1 68 68 ALA N N 15 126.368 0.007 . 1 . . 26 . . 68 ALA N . 27143 1 766 . 1 1 69 69 LEU H H 1 8.51 0.002 . 1 . . 84 . . 69 LEU H . 27143 1 767 . 1 1 69 69 LEU HA H 1 3.966 0.005 . 1 . . 801 . . 69 LEU HA . 27143 1 768 . 1 1 69 69 LEU HB2 H 1 1.467 0.003 . 2 . . 802 . . 69 LEU HB2 . 27143 1 769 . 1 1 69 69 LEU HB3 H 1 2.149 0.006 . 2 . . 803 . . 69 LEU HB3 . 27143 1 770 . 1 1 69 69 LEU HG H 1 2.021 0.001 . 1 . . 805 . . 69 LEU HG . 27143 1 771 . 1 1 69 69 LEU HD11 H 1 0.903 0.001 . 2 . . 807 . . 69 LEU HD11 . 27143 1 772 . 1 1 69 69 LEU HD12 H 1 0.903 0.001 . 2 . . 807 . . 69 LEU HD12 . 27143 1 773 . 1 1 69 69 LEU HD13 H 1 0.903 0.001 . 2 . . 807 . . 69 LEU HD13 . 27143 1 774 . 1 1 69 69 LEU HD21 H 1 1.236 0.003 . 2 . . 809 . . 69 LEU HD21 . 27143 1 775 . 1 1 69 69 LEU HD22 H 1 1.236 0.003 . 2 . . 809 . . 69 LEU HD22 . 27143 1 776 . 1 1 69 69 LEU HD23 H 1 1.236 0.003 . 2 . . 809 . . 69 LEU HD23 . 27143 1 777 . 1 1 69 69 LEU C C 13 179.924 . . 1 . . 431 . . 69 LEU C . 27143 1 778 . 1 1 69 69 LEU CA C 13 58.213 0.044 . 1 . . 315 . . 69 LEU CA . 27143 1 779 . 1 1 69 69 LEU CB C 13 42.273 0.037 . 1 . . 314 . . 69 LEU CB . 27143 1 780 . 1 1 69 69 LEU CG C 13 27.351 0.057 . 1 . . 804 . . 69 LEU CG . 27143 1 781 . 1 1 69 69 LEU CD1 C 13 24.357 0.021 . 2 . . 806 . . 69 LEU CD1 . 27143 1 782 . 1 1 69 69 LEU CD2 C 13 27.542 0.011 . 2 . . 808 . . 69 LEU CD2 . 27143 1 783 . 1 1 69 69 LEU N N 15 118.54 0.009 . 1 . . 85 . . 69 LEU N . 27143 1 784 . 1 1 70 70 GLN H H 1 7.968 0.003 . 1 . . 15 . . 70 GLN H . 27143 1 785 . 1 1 70 70 GLN HA H 1 4.189 0.002 . 1 . . 468 . . 70 GLN HA . 27143 1 786 . 1 1 70 70 GLN HB2 H 1 2.094 0.003 . 1 . . 475 . . 70 GLN HB2 . 27143 1 787 . 1 1 70 70 GLN HG2 H 1 2.162 0.002 . 2 . . 473 . . 70 GLN HG2 . 27143 1 788 . 1 1 70 70 GLN HG3 H 1 2.29 0.002 . 2 . . 474 . . 70 GLN HG3 . 27143 1 789 . 1 1 70 70 GLN HE21 H 1 6.879 0.011 . 1 . . 31 . . 70 GLN HE21 . 27143 1 790 . 1 1 70 70 GLN HE22 H 1 6.835 0.004 . 1 . . 152 . . 70 GLN HE22 . 27143 1 791 . 1 1 70 70 GLN C C 13 179.115 . . 1 . . 432 . . 70 GLN C . 27143 1 792 . 1 1 70 70 GLN CA C 13 58.68 0.017 . 1 . . 218 . . 70 GLN CA . 27143 1 793 . 1 1 70 70 GLN CB C 13 28.95 0.055 . 1 . . 217 . . 70 GLN CB . 27143 1 794 . 1 1 70 70 GLN CG C 13 34.281 0.03 . 1 . . 361 . . 70 GLN CG . 27143 1 795 . 1 1 70 70 GLN CD C 13 179.706 0.012 . 1 . . 442 . . 70 GLN CD . 27143 1 796 . 1 1 70 70 GLN N N 15 118.055 0.008 . 1 . . 16 . . 70 GLN N . 27143 1 797 . 1 1 70 70 GLN NE2 N 15 110.666 0.003 . 1 . . 32 . . 70 GLN NE2 . 27143 1 798 . 1 1 71 71 TYR H H 1 8.31 0.002 . 1 . . 7 . . 71 TYR H . 27143 1 799 . 1 1 71 71 TYR HA H 1 4.129 0.003 . 1 . . 643 . . 71 TYR HA . 27143 1 800 . 1 1 71 71 TYR HB2 H 1 3.097 0.002 . 2 . . 644 . . 71 TYR HB2 . 27143 1 801 . 1 1 71 71 TYR HB3 H 1 3.138 0.002 . 2 . . 645 . . 71 TYR HB3 . 27143 1 802 . 1 1 71 71 TYR HD1 H 1 6.952 . . 1 . . 873 . . 71 TYR HD1 . 27143 1 803 . 1 1 71 71 TYR HD2 H 1 6.952 . . 1 . . 873 . . 71 TYR HD2 . 27143 1 804 . 1 1 71 71 TYR HE1 H 1 6.766 . . 1 . . 853 . . 71 TYR HE1 . 27143 1 805 . 1 1 71 71 TYR HE2 H 1 6.766 . . 1 . . 853 . . 71 TYR HE2 . 27143 1 806 . 1 1 71 71 TYR C C 13 177.663 . . 1 . . 433 . . 71 TYR C . 27143 1 807 . 1 1 71 71 TYR CA C 13 61.535 0.036 . 1 . . 281 . . 71 TYR CA . 27143 1 808 . 1 1 71 71 TYR CB C 13 38.235 0.016 . 1 . . 282 . . 71 TYR CB . 27143 1 809 . 1 1 71 71 TYR CD1 C 13 132.868 . . 1 . . 874 . . 71 TYR CD1 . 27143 1 810 . 1 1 71 71 TYR CD2 C 13 132.868 . . 1 . . 874 . . 71 TYR CD2 . 27143 1 811 . 1 1 71 71 TYR CE1 C 13 118.5 . . 1 . . 854 . . 71 TYR CE1 . 27143 1 812 . 1 1 71 71 TYR CE2 C 13 118.5 . . 1 . . 854 . . 71 TYR CE2 . 27143 1 813 . 1 1 71 71 TYR N N 15 123.319 0.007 . 1 . . 8 . . 71 TYR N . 27143 1 814 . 1 1 72 72 LEU H H 1 8.326 0.001 . 1 . . 74 . . 72 LEU H . 27143 1 815 . 1 1 72 72 LEU HA H 1 3.953 0.003 . 1 . . 596 . . 72 LEU HA . 27143 1 816 . 1 1 72 72 LEU HB2 H 1 1.599 0.005 . 2 . . 597 . . 72 LEU HB2 . 27143 1 817 . 1 1 72 72 LEU HB3 H 1 1.839 0.003 . 2 . . 598 . . 72 LEU HB3 . 27143 1 818 . 1 1 72 72 LEU HG H 1 1.911 0.004 . 1 . . 600 . . 72 LEU HG . 27143 1 819 . 1 1 72 72 LEU HD11 H 1 0.779 0.004 . 2 . . 601 . . 72 LEU HD11 . 27143 1 820 . 1 1 72 72 LEU HD12 H 1 0.779 0.004 . 2 . . 601 . . 72 LEU HD12 . 27143 1 821 . 1 1 72 72 LEU HD13 H 1 0.779 0.004 . 2 . . 601 . . 72 LEU HD13 . 27143 1 822 . 1 1 72 72 LEU HD21 H 1 0.812 0.001 . 2 . . 604 . . 72 LEU HD21 . 27143 1 823 . 1 1 72 72 LEU HD22 H 1 0.812 0.001 . 2 . . 604 . . 72 LEU HD22 . 27143 1 824 . 1 1 72 72 LEU HD23 H 1 0.812 0.001 . 2 . . 604 . . 72 LEU HD23 . 27143 1 825 . 1 1 72 72 LEU C C 13 177.481 . . 1 . . 434 . . 72 LEU C . 27143 1 826 . 1 1 72 72 LEU CA C 13 56.257 0.014 . 1 . . 294 . . 72 LEU CA . 27143 1 827 . 1 1 72 72 LEU CB C 13 42.289 0.04 . 1 . . 293 . . 72 LEU CB . 27143 1 828 . 1 1 72 72 LEU CG C 13 27.012 0.022 . 1 . . 599 . . 72 LEU CG . 27143 1 829 . 1 1 72 72 LEU CD1 C 13 21.846 0.03 . 2 . . 602 . . 72 LEU CD1 . 27143 1 830 . 1 1 72 72 LEU CD2 C 13 26.222 0.013 . 2 . . 603 . . 72 LEU CD2 . 27143 1 831 . 1 1 72 72 LEU N N 15 117.38 0.016 . 1 . . 75 . . 72 LEU N . 27143 1 832 . 1 1 73 73 LYS H H 1 7.714 0.001 . 1 . . 102 . . 73 LYS H . 27143 1 833 . 1 1 73 73 LYS HA H 1 3.983 0.004 . 1 . . 698 . . 73 LYS HA . 27143 1 834 . 1 1 73 73 LYS HB2 H 1 1.912 0.002 . 2 . . 697 . . 73 LYS HB2 . 27143 1 835 . 1 1 73 73 LYS HB3 H 1 2.025 0.001 . 2 . . 699 . . 73 LYS HB3 . 27143 1 836 . 1 1 73 73 LYS HG2 H 1 1.329 0.002 . 2 . . 701 . . 73 LYS HG2 . 27143 1 837 . 1 1 73 73 LYS HG3 H 1 1.414 0.013 . 2 . . 702 . . 73 LYS HG3 . 27143 1 838 . 1 1 73 73 LYS HD2 H 1 1.66 0.005 . 1 . . 704 . . 73 LYS HD2 . 27143 1 839 . 1 1 73 73 LYS HE2 H 1 2.966 0.005 . 1 . . 705 . . 73 LYS HE2 . 27143 1 840 . 1 1 73 73 LYS C C 13 176.997 . . 1 . . 435 . . 73 LYS C . 27143 1 841 . 1 1 73 73 LYS CA C 13 58.108 0.022 . 1 . . 299 . . 73 LYS CA . 27143 1 842 . 1 1 73 73 LYS CB C 13 30.436 0.025 . 1 . . 300 . . 73 LYS CB . 27143 1 843 . 1 1 73 73 LYS CG C 13 24.863 0.032 . 1 . . 700 . . 73 LYS CG . 27143 1 844 . 1 1 73 73 LYS CD C 13 29.183 0.022 . 1 . . 703 . . 73 LYS CD . 27143 1 845 . 1 1 73 73 LYS CE C 13 42.231 0.006 . 1 . . 707 . . 73 LYS CE . 27143 1 846 . 1 1 73 73 LYS N N 15 116.159 0.008 . 1 . . 103 . . 73 LYS N . 27143 1 847 . 1 1 74 74 ILE H H 1 7.878 0.001 . 1 . . 155 . . 74 ILE H . 27143 1 848 . 1 1 74 74 ILE HA H 1 3.918 0.003 . 1 . . 783 . . 74 ILE HA . 27143 1 849 . 1 1 74 74 ILE HB H 1 1.927 0.005 . 1 . . 782 . . 74 ILE HB . 27143 1 850 . 1 1 74 74 ILE HG12 H 1 1.369 0.007 . 2 . . 785 . . 74 ILE HG12 . 27143 1 851 . 1 1 74 74 ILE HG13 H 1 1.481 0.005 . 2 . . 786 . . 74 ILE HG13 . 27143 1 852 . 1 1 74 74 ILE HG21 H 1 0.88 0.004 . 1 . . 788 . . 74 ILE HG21 . 27143 1 853 . 1 1 74 74 ILE HG22 H 1 0.88 0.004 . 1 . . 788 . . 74 ILE HG22 . 27143 1 854 . 1 1 74 74 ILE HG23 H 1 0.88 0.004 . 1 . . 788 . . 74 ILE HG23 . 27143 1 855 . 1 1 74 74 ILE HD11 H 1 0.809 0.003 . 1 . . 790 . . 74 ILE HD11 . 27143 1 856 . 1 1 74 74 ILE HD12 H 1 0.809 0.003 . 1 . . 790 . . 74 ILE HD12 . 27143 1 857 . 1 1 74 74 ILE HD13 H 1 0.809 0.003 . 1 . . 790 . . 74 ILE HD13 . 27143 1 858 . 1 1 74 74 ILE C C 13 177.86 . . 1 . . 436 . . 74 ILE C . 27143 1 859 . 1 1 74 74 ILE CA C 13 62.155 0.052 . 1 . . 297 . . 74 ILE CA . 27143 1 860 . 1 1 74 74 ILE CB C 13 37.555 0.031 . 1 . . 298 . . 74 ILE CB . 27143 1 861 . 1 1 74 74 ILE CG1 C 13 28.084 0.03 . 1 . . 784 . . 74 ILE CG1 . 27143 1 862 . 1 1 74 74 ILE CG2 C 13 17.277 0.01 . 1 . . 787 . . 74 ILE CG2 . 27143 1 863 . 1 1 74 74 ILE CD1 C 13 11.467 0.023 . 1 . . 789 . . 74 ILE CD1 . 27143 1 864 . 1 1 74 74 ILE N N 15 118.973 0.016 . 1 . . 156 . . 74 ILE N . 27143 1 865 . 1 1 75 75 ILE H H 1 7.364 0.001 . 1 . . 120 . . 75 ILE H . 27143 1 866 . 1 1 75 75 ILE HA H 1 4.094 0.008 . 1 . . 792 . . 75 ILE HA . 27143 1 867 . 1 1 75 75 ILE HB H 1 1.752 0.002 . 1 . . 791 . . 75 ILE HB . 27143 1 868 . 1 1 75 75 ILE HG12 H 1 1.014 0.002 . 2 . . 795 . . 75 ILE HG12 . 27143 1 869 . 1 1 75 75 ILE HG13 H 1 1.305 0.004 . 2 . . 796 . . 75 ILE HG13 . 27143 1 870 . 1 1 75 75 ILE HG21 H 1 0.846 0.001 . 1 . . 798 . . 75 ILE HG21 . 27143 1 871 . 1 1 75 75 ILE HG22 H 1 0.846 0.001 . 1 . . 798 . . 75 ILE HG22 . 27143 1 872 . 1 1 75 75 ILE HG23 H 1 0.846 0.001 . 1 . . 798 . . 75 ILE HG23 . 27143 1 873 . 1 1 75 75 ILE HD11 H 1 0.778 0.001 . 1 . . 800 . . 75 ILE HD11 . 27143 1 874 . 1 1 75 75 ILE HD12 H 1 0.778 0.001 . 1 . . 800 . . 75 ILE HD12 . 27143 1 875 . 1 1 75 75 ILE HD13 H 1 0.778 0.001 . 1 . . 800 . . 75 ILE HD13 . 27143 1 876 . 1 1 75 75 ILE C C 13 176.221 . . 1 . . 437 . . 75 ILE C . 27143 1 877 . 1 1 75 75 ILE CA C 13 61.158 0.033 . 1 . . 313 . . 75 ILE CA . 27143 1 878 . 1 1 75 75 ILE CB C 13 38.727 0.021 . 1 . . 312 . . 75 ILE CB . 27143 1 879 . 1 1 75 75 ILE CG1 C 13 26.978 0.021 . 1 . . 793 . . 75 ILE CG1 . 27143 1 880 . 1 1 75 75 ILE CG2 C 13 17.527 0.021 . 1 . . 797 . . 75 ILE CG2 . 27143 1 881 . 1 1 75 75 ILE CD1 C 13 13.168 0.02 . 1 . . 799 . . 75 ILE CD1 . 27143 1 882 . 1 1 75 75 ILE N N 15 117.209 0.007 . 1 . . 121 . . 75 ILE N . 27143 1 883 . 1 1 76 76 ALA H H 1 8.045 0.001 . 1 . . 148 . . 76 ALA H . 27143 1 884 . 1 1 76 76 ALA HA H 1 4.259 0.002 . 1 . . 505 . . 76 ALA HA . 27143 1 885 . 1 1 76 76 ALA HB1 H 1 1.417 0.002 . 1 . . 506 . . 76 ALA HB1 . 27143 1 886 . 1 1 76 76 ALA HB2 H 1 1.417 0.002 . 1 . . 506 . . 76 ALA HB2 . 27143 1 887 . 1 1 76 76 ALA HB3 H 1 1.417 0.002 . 1 . . 506 . . 76 ALA HB3 . 27143 1 888 . 1 1 76 76 ALA C C 13 177.927 . . 1 . . 438 . . 76 ALA C . 27143 1 889 . 1 1 76 76 ALA CA C 13 52.852 0.007 . 1 . . 237 . . 76 ALA CA . 27143 1 890 . 1 1 76 76 ALA CB C 13 19.379 0.045 . 1 . . 236 . . 76 ALA CB . 27143 1 891 . 1 1 76 76 ALA N N 15 125.091 0.007 . 1 . . 149 . . 76 ALA N . 27143 1 892 . 1 1 77 77 GLU H H 1 8.11 0.001 . 1 . . 33 . . 77 GLU H . 27143 1 893 . 1 1 77 77 GLU HA H 1 4.23 0.002 . 1 . . 828 . . 77 GLU HA . 27143 1 894 . 1 1 77 77 GLU HB2 H 1 1.965 0.002 . 2 . . 827 . . 77 GLU HB2 . 27143 1 895 . 1 1 77 77 GLU HB3 H 1 2.043 0.002 . 2 . . 829 . . 77 GLU HB3 . 27143 1 896 . 1 1 77 77 GLU HG2 H 1 2.228 0.003 . 2 . . 831 . . 77 GLU HG2 . 27143 1 897 . 1 1 77 77 GLU HG3 H 1 2.353 0.006 . 2 . . 832 . . 77 GLU HG3 . 27143 1 898 . 1 1 77 77 GLU C C 13 176.405 . . 1 . . 439 . . 77 GLU C . 27143 1 899 . 1 1 77 77 GLU CA C 13 56.643 0.044 . 1 . . 291 . . 77 GLU CA . 27143 1 900 . 1 1 77 77 GLU CB C 13 30.34 0.039 . 1 . . 292 . . 77 GLU CB . 27143 1 901 . 1 1 77 77 GLU CG C 13 36.324 0.035 . 1 . . 830 . . 77 GLU CG . 27143 1 902 . 1 1 77 77 GLU N N 15 119.062 0.01 . 1 . . 34 . . 77 GLU N . 27143 1 903 . 1 1 78 78 ARG H H 1 8.121 0.001 . 1 . . 88 . . 78 ARG H . 27143 1 904 . 1 1 78 78 ARG HA H 1 4.326 0.001 . 1 . . 682 . . 78 ARG HA . 27143 1 905 . 1 1 78 78 ARG HB2 H 1 1.786 0.002 . 2 . . 681 . . 78 ARG HB2 . 27143 1 906 . 1 1 78 78 ARG HB3 H 1 1.888 0.003 . 2 . . 683 . . 78 ARG HB3 . 27143 1 907 . 1 1 78 78 ARG HG2 H 1 1.638 0.002 . 2 . . 684 . . 78 ARG HG2 . 27143 1 908 . 1 1 78 78 ARG HG3 H 1 1.688 0.003 . 2 . . 685 . . 78 ARG HG3 . 27143 1 909 . 1 1 78 78 ARG HD2 H 1 3.175 0.001 . 1 . . 686 . . 78 ARG HD2 . 27143 1 910 . 1 1 78 78 ARG HE H 1 7.221 0.001 . 1 . . 9 . . 78 ARG HE . 27143 1 911 . 1 1 78 78 ARG C C 13 175.28 . . 1 . . 440 . . 78 ARG C . 27143 1 912 . 1 1 78 78 ARG CA C 13 56.275 0.038 . 1 . . 311 . . 78 ARG CA . 27143 1 913 . 1 1 78 78 ARG CB C 13 30.612 0.028 . 1 . . 310 . . 78 ARG CB . 27143 1 914 . 1 1 78 78 ARG CG C 13 27.002 0.007 . 1 . . 680 . . 78 ARG CG . 27143 1 915 . 1 1 78 78 ARG CD C 13 43.551 0.013 . 1 . . 679 . . 78 ARG CD . 27143 1 916 . 1 1 78 78 ARG N N 15 122.274 0.013 . 1 . . 89 . . 78 ARG N . 27143 1 917 . 1 1 78 78 ARG NE N 15 84.859 0.006 . 1 . . 10 . . 78 ARG NE . 27143 1 918 . 1 1 79 79 LYS H H 1 7.968 0.001 . 1 . . 166 . . 79 LYS H . 27143 1 919 . 1 1 79 79 LYS HA H 1 4.161 0.001 . 1 . . 625 . . 79 LYS HA . 27143 1 920 . 1 1 79 79 LYS HB2 H 1 1.699 0.003 . 2 . . 626 . . 79 LYS HB2 . 27143 1 921 . 1 1 79 79 LYS HB3 H 1 1.823 0.002 . 2 . . 627 . . 79 LYS HB3 . 27143 1 922 . 1 1 79 79 LYS HG2 H 1 1.391 0.003 . 1 . . 629 . . 79 LYS HG2 . 27143 1 923 . 1 1 79 79 LYS HD2 H 1 1.662 0.005 . 1 . . 631 . . 79 LYS HD2 . 27143 1 924 . 1 1 79 79 LYS HE2 H 1 2.969 0.008 . 1 . . 633 . . 79 LYS HE2 . 27143 1 925 . 1 1 79 79 LYS CA C 13 57.617 0.011 . 1 . . 339 . . 79 LYS CA . 27143 1 926 . 1 1 79 79 LYS CB C 13 33.759 0.038 . 1 . . 340 . . 79 LYS CB . 27143 1 927 . 1 1 79 79 LYS CG C 13 24.814 0.016 . 1 . . 628 . . 79 LYS CG . 27143 1 928 . 1 1 79 79 LYS CD C 13 29.143 0.021 . 1 . . 630 . . 79 LYS CD . 27143 1 929 . 1 1 79 79 LYS CE C 13 42.207 0.043 . 1 . . 632 . . 79 LYS CE . 27143 1 930 . 1 1 79 79 LYS N N 15 128.418 0.009 . 1 . . 167 . . 79 LYS N . 27143 1 stop_ save_