################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25372 _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 '2D 1H-15N HSQC/HMQC' 1 $CG_KIX_15N isotropic 25372 1 3 '2D 1H-13C HSQC/HMQC' 2 $CG_KIX_13C15N isotropic 25372 1 5 '2D 1H-13C HSQC/HMQC' 3 $CG_KIX_ILV isotropic 25372 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 4 $CcpNmr_Analysis . . 25372 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 1 1 MET HA H 1 4.348 0.003 . 1 . . 700 . . 1 MET HA . 25372 1 2 . 1 1 1 1 MET HB2 H 1 1.839 . . 2 . . 914 . . 1 MET HB2 . 25372 1 3 . 1 1 1 1 MET HB3 H 1 1.934 . . 2 . . 915 . . 1 MET HB3 . 25372 1 4 . 1 1 1 1 MET HG2 H 1 2.411 . . 2 . . 701 . . 1 MET HG2 . 25372 1 5 . 1 1 1 1 MET HG3 H 1 2.363 . . 2 . . 702 . . 1 MET HG3 . 25372 1 6 . 1 1 1 1 MET C C 13 176.258 . . 1 . . 342 . . 1 MET C . 25372 1 7 . 1 1 1 1 MET CA C 13 55.593 0.102 . 1 . . 341 . . 1 MET CA . 25372 1 8 . 1 1 1 1 MET CG C 13 32.140 . . 1 . . 343 . . 1 MET CG . 25372 1 9 . 1 1 2 2 SER H H 1 9.062 0.001 . 1 . . 128 . . 2 SER H . 25372 1 10 . 1 1 2 2 SER HA H 1 4.452 0.016 . 1 . . 652 . . 2 SER HA . 25372 1 11 . 1 1 2 2 SER HB2 H 1 3.813 0.013 . 2 . . 653 . . 2 SER HB2 . 25372 1 12 . 1 1 2 2 SER HB3 H 1 3.739 0.012 . 2 . . 654 . . 2 SER HB3 . 25372 1 13 . 1 1 2 2 SER C C 13 175.027 0.001 . 1 . . 251 . . 2 SER C . 25372 1 14 . 1 1 2 2 SER CA C 13 58.081 0.055 . 1 . . 252 . . 2 SER CA . 25372 1 15 . 1 1 2 2 SER CB C 13 64.048 0.165 . 1 . . 253 . . 2 SER CB . 25372 1 16 . 1 1 2 2 SER N N 15 119.030 . . 1 . . 127 . . 2 SER N . 25372 1 17 . 1 1 3 3 SER H H 1 8.611 0.0 . 1 . . 60 . . 3 SER H . 25372 1 18 . 1 1 3 3 SER HA H 1 4.290 0.011 . 1 . . 676 . . 3 SER HA . 25372 1 19 . 1 1 3 3 SER HB2 H 1 3.781 . . 1 . . 703 . . 3 SER HB2 . 25372 1 20 . 1 1 3 3 SER C C 13 176.983 0.0 . 1 . . 254 . . 3 SER C . 25372 1 21 . 1 1 3 3 SER CA C 13 58.893 0.015 . 1 . . 255 . . 3 SER CA . 25372 1 22 . 1 1 3 3 SER CB C 13 63.546 0.005 . 1 . . 261 . . 3 SER CB . 25372 1 23 . 1 1 3 3 SER N N 15 118.443 0.0 . 1 . . 59 . . 3 SER N . 25372 1 24 . 1 1 4 4 LYS H H 1 8.752 0.001 . 1 . . 66 . . 4 LYS H . 25372 1 25 . 1 1 4 4 LYS HA H 1 3.762 0.013 . 1 . . 599 . . 4 LYS HA . 25372 1 26 . 1 1 4 4 LYS HB2 H 1 1.395 0.014 . 2 . . 600 . . 4 LYS HB2 . 25372 1 27 . 1 1 4 4 LYS HB3 H 1 1.213 0.014 . 2 . . 601 . . 4 LYS HB3 . 25372 1 28 . 1 1 4 4 LYS HG2 H 1 0.861 0.006 . 1 . . 704 . . 4 LYS HG2 . 25372 1 29 . 1 1 4 4 LYS HD2 H 1 0.965 0.011 . 1 . . 602 . . 4 LYS HD2 . 25372 1 30 . 1 1 4 4 LYS HE2 H 1 2.268 0.001 . 2 . . 603 . . 4 LYS HE2 . 25372 1 31 . 1 1 4 4 LYS HE3 H 1 2.433 0.002 . 2 . . 710 . . 4 LYS HE3 . 25372 1 32 . 1 1 4 4 LYS C C 13 176.881 0.003 . 1 . . 262 . . 4 LYS C . 25372 1 33 . 1 1 4 4 LYS CA C 13 58.529 0.138 . 1 . . 430 . . 4 LYS CA . 25372 1 34 . 1 1 4 4 LYS CB C 13 31.582 0.091 . 1 . . 387 . . 4 LYS CB . 25372 1 35 . 1 1 4 4 LYS CG C 13 24.586 0.019 . 1 . . 916 . . 4 LYS CG . 25372 1 36 . 1 1 4 4 LYS CD C 13 28.777 0.076 . 1 . . 431 . . 4 LYS CD . 25372 1 37 . 1 1 4 4 LYS N N 15 125.157 0.0 . 1 . . 65 . . 4 LYS N . 25372 1 38 . 1 1 5 5 GLU H H 1 8.135 0.001 . 1 . . 16 . . 5 GLU H . 25372 1 39 . 1 1 5 5 GLU HA H 1 4.122 0.016 . 1 . . 610 . . 5 GLU HA . 25372 1 40 . 1 1 5 5 GLU HB2 H 1 1.990 0.014 . 2 . . 612 . . 5 GLU HB2 . 25372 1 41 . 1 1 5 5 GLU HB3 H 1 1.823 0.013 . 2 . . 613 . . 5 GLU HB3 . 25372 1 42 . 1 1 5 5 GLU HG2 H 1 2.141 0.013 . 1 . . 611 . . 5 GLU HG2 . 25372 1 43 . 1 1 5 5 GLU C C 13 176.453 0.0 . 1 . . 182 . . 5 GLU C . 25372 1 44 . 1 1 5 5 GLU CA C 13 57.714 0.12 . 1 . . 183 . . 5 GLU CA . 25372 1 45 . 1 1 5 5 GLU CB C 13 29.451 0.081 . 1 . . 181 . . 5 GLU CB . 25372 1 46 . 1 1 5 5 GLU CG C 13 36.643 0.086 . 1 . . 275 . . 5 GLU CG . 25372 1 47 . 1 1 5 5 GLU N N 15 119.520 0.0 . 1 . . 15 . . 5 GLU N . 25372 1 48 . 1 1 6 6 THR H H 1 7.495 0.001 . 1 . . 80 . . 6 THR H . 25372 1 49 . 1 1 6 6 THR HA H 1 4.194 0.016 . 1 . . 717 . . 6 THR HA . 25372 1 50 . 1 1 6 6 THR HG21 H 1 1.066 0.014 . 1 . . 576 . . 6 THR HG21 . 25372 1 51 . 1 1 6 6 THR HG22 H 1 1.066 0.014 . 1 . . 576 . . 6 THR HG22 . 25372 1 52 . 1 1 6 6 THR HG23 H 1 1.066 0.014 . 1 . . 576 . . 6 THR HG23 . 25372 1 53 . 1 1 6 6 THR C C 13 174.951 . . 1 . . 276 . . 6 THR C . 25372 1 54 . 1 1 6 6 THR CA C 13 61.836 . . 1 . . 277 . . 6 THR CA . 25372 1 55 . 1 1 6 6 THR CB C 13 70.208 0.382 . 1 . . 716 . . 6 THR CB . 25372 1 56 . 1 1 6 6 THR CG2 C 13 21.552 0.1 . 1 . . 369 . . 6 THR CG2 . 25372 1 57 . 1 1 6 6 THR N N 15 109.355 0.0 . 1 . . 79 . . 6 THR N . 25372 1 58 . 1 1 7 7 ILE H H 1 7.368 0.001 . 1 . . 150 . . 7 ILE H . 25372 1 59 . 1 1 7 7 ILE HA H 1 4.038 0.017 . 1 . . 780 . . 7 ILE HA . 25372 1 60 . 1 1 7 7 ILE HB H 1 1.652 0.013 . 1 . . 781 . . 7 ILE HB . 25372 1 61 . 1 1 7 7 ILE HG12 H 1 1.403 0.0 . 2 . . 782 . . 7 ILE HG12 . 25372 1 62 . 1 1 7 7 ILE HG13 H 1 0.830 . . 2 . . 931 . . 7 ILE HG13 . 25372 1 63 . 1 1 7 7 ILE HD11 H 1 0.629 0.011 . 1 . . 778 . . 7 ILE HD11 . 25372 1 64 . 1 1 7 7 ILE HD12 H 1 0.629 0.011 . 1 . . 778 . . 7 ILE HD12 . 25372 1 65 . 1 1 7 7 ILE HD13 H 1 0.629 0.011 . 1 . . 778 . . 7 ILE HD13 . 25372 1 66 . 1 1 7 7 ILE C C 13 173.569 . . 1 . . 370 . . 7 ILE C . 25372 1 67 . 1 1 7 7 ILE CA C 13 59.330 0.007 . 1 . . 371 . . 7 ILE CA . 25372 1 68 . 1 1 7 7 ILE CB C 13 38.947 0.047 . 1 . . 392 . . 7 ILE CB . 25372 1 69 . 1 1 7 7 ILE CD1 C 13 16.870 . . 1 . . 918 . . 7 ILE CD1 . 25372 1 70 . 1 1 7 7 ILE N N 15 125.253 0.0 . 1 . . 149 . . 7 ILE N . 25372 1 71 . 1 1 8 8 PRO HA H 1 4.318 0.015 . 1 . . 648 . . 8 PRO HA . 25372 1 72 . 1 1 8 8 PRO HB2 H 1 2.217 0.015 . 2 . . 649 . . 8 PRO HB2 . 25372 1 73 . 1 1 8 8 PRO HB3 H 1 1.477 0.013 . 2 . . 890 . . 8 PRO HB3 . 25372 1 74 . 1 1 8 8 PRO HG2 H 1 1.680 0.014 . 2 . . 650 . . 8 PRO HG2 . 25372 1 75 . 1 1 8 8 PRO HG3 H 1 1.877 0.0 . 2 . . 901 . . 8 PRO HG3 . 25372 1 76 . 1 1 8 8 PRO HD2 H 1 3.960 0.014 . 2 . . 651 . . 8 PRO HD2 . 25372 1 77 . 1 1 8 8 PRO HD3 H 1 3.548 0.015 . 2 . . 718 . . 8 PRO HD3 . 25372 1 78 . 1 1 8 8 PRO C C 13 178.077 . . 1 . . 373 . . 8 PRO C . 25372 1 79 . 1 1 8 8 PRO CA C 13 62.297 0.057 . 1 . . 374 . . 8 PRO CA . 25372 1 80 . 1 1 8 8 PRO CB C 13 32.477 0.097 . 1 . . 375 . . 8 PRO CB . 25372 1 81 . 1 1 8 8 PRO CG C 13 27.708 0.067 . 1 . . 376 . . 8 PRO CG . 25372 1 82 . 1 1 8 8 PRO CD C 13 51.017 0.056 . 1 . . 419 . . 8 PRO CD . 25372 1 83 . 1 1 9 9 MET H H 1 8.890 0.002 . 1 . . 154 . . 9 MET H . 25372 1 84 . 1 1 9 9 MET HA H 1 3.952 0.012 . 1 . . 906 . . 9 MET HA . 25372 1 85 . 1 1 9 9 MET HB2 H 1 1.917 0.013 . 1 . . 904 . . 9 MET HB2 . 25372 1 86 . 1 1 9 9 MET HG2 H 1 2.521 0.001 . 2 . . 902 . . 9 MET HG2 . 25372 1 87 . 1 1 9 9 MET HG3 H 1 2.440 0.0 . 2 . . 903 . . 9 MET HG3 . 25372 1 88 . 1 1 9 9 MET C C 13 178.738 . . 1 . . 378 . . 9 MET C . 25372 1 89 . 1 1 9 9 MET CA C 13 57.688 0.0 . 1 . . 905 . . 9 MET CA . 25372 1 90 . 1 1 9 9 MET CB C 13 30.710 0.0 . 1 . . 377 . . 9 MET CB . 25372 1 91 . 1 1 9 9 MET N N 15 124.278 0.0 . 1 . . 153 . . 9 MET N . 25372 1 92 . 1 1 10 10 HIS HA H 1 4.247 0.022 . 1 . . 509 . . 10 HIS HA . 25372 1 93 . 1 1 10 10 HIS HB3 H 1 3.077 . . 1 . . 719 . . 10 HIS HB3 . 25372 1 94 . 1 1 10 10 HIS C C 13 177.491 . . 1 . . 714 . . 10 HIS C . 25372 1 95 . 1 1 10 10 HIS CA C 13 59.140 0.0 . 1 . . 450 . . 10 HIS CA . 25372 1 96 . 1 1 10 10 HIS CB C 13 29.217 0.068 . 1 . . 715 . . 10 HIS CB . 25372 1 97 . 1 1 11 11 GLN H H 1 6.847 0.002 . 1 . . 68 . . 11 GLN H . 25372 1 98 . 1 1 11 11 GLN HA H 1 3.959 0.015 . 1 . . 546 . . 11 GLN HA . 25372 1 99 . 1 1 11 11 GLN HB2 H 1 1.853 . . 2 . . 900 . . 11 GLN HB2 . 25372 1 100 . 1 1 11 11 GLN HB3 H 1 1.922 0.024 . 2 . . 932 . . 11 GLN HB3 . 25372 1 101 . 1 1 11 11 GLN HG2 H 1 2.230 0.012 . 2 . . 547 . . 11 GLN HG2 . 25372 1 102 . 1 1 11 11 GLN HG3 H 1 2.149 0.029 . 2 . . 548 . . 11 GLN HG3 . 25372 1 103 . 1 1 11 11 GLN C C 13 178.125 0.011 . 1 . . 394 . . 11 GLN C . 25372 1 104 . 1 1 11 11 GLN CA C 13 58.341 0.272 . 1 . . 393 . . 11 GLN CA . 25372 1 105 . 1 1 11 11 GLN CB C 13 28.754 0.1 . 1 . . 947 . . 11 GLN CB . 25372 1 106 . 1 1 11 11 GLN CG C 13 33.614 0.086 . 1 . . 713 . . 11 GLN CG . 25372 1 107 . 1 1 11 11 GLN N N 15 120.680 0.0 . 1 . . 67 . . 11 GLN N . 25372 1 108 . 1 1 12 12 ARG H H 1 7.109 0.001 . 1 . . 70 . . 12 ARG H . 25372 1 109 . 1 1 12 12 ARG HA H 1 3.952 0.001 . 1 . . 511 . . 12 ARG HA . 25372 1 110 . 1 1 12 12 ARG HB2 H 1 1.800 0.015 . 2 . . 722 . . 12 ARG HB2 . 25372 1 111 . 1 1 12 12 ARG HB3 H 1 1.717 0.012 . 2 . . 723 . . 12 ARG HB3 . 25372 1 112 . 1 1 12 12 ARG HG2 H 1 1.210 0.014 . 2 . . 513 . . 12 ARG HG2 . 25372 1 113 . 1 1 12 12 ARG HG3 H 1 1.484 0.002 . 2 . . 720 . . 12 ARG HG3 . 25372 1 114 . 1 1 12 12 ARG HD2 H 1 2.487 0.012 . 2 . . 512 . . 12 ARG HD2 . 25372 1 115 . 1 1 12 12 ARG HD3 H 1 2.127 0.011 . 2 . . 721 . . 12 ARG HD3 . 25372 1 116 . 1 1 12 12 ARG C C 13 179.094 0.005 . 1 . . 333 . . 12 ARG C . 25372 1 117 . 1 1 12 12 ARG CA C 13 60.089 1.298 . 1 . . 416 . . 12 ARG CA . 25372 1 118 . 1 1 12 12 ARG CB C 13 29.529 0.111 . 1 . . 263 . . 12 ARG CB . 25372 1 119 . 1 1 12 12 ARG CG C 13 26.351 0.035 . 1 . . 417 . . 12 ARG CG . 25372 1 120 . 1 1 12 12 ARG CD C 13 42.546 0.058 . 1 . . 334 . . 12 ARG CD . 25372 1 121 . 1 1 12 12 ARG N N 15 119.535 . . 1 . . 69 . . 12 ARG N . 25372 1 122 . 1 1 13 13 SER H H 1 8.452 0.001 . 1 . . 122 . . 13 SER H . 25372 1 123 . 1 1 13 13 SER HA H 1 3.960 0.012 . 1 . . 930 . . 13 SER HA . 25372 1 124 . 1 1 13 13 SER HB2 H 1 3.725 0.015 . 1 . . 556 . . 13 SER HB2 . 25372 1 125 . 1 1 13 13 SER C C 13 177.703 . . 1 . . 711 . . 13 SER C . 25372 1 126 . 1 1 13 13 SER CA C 13 61.391 0.383 . 1 . . 320 . . 13 SER CA . 25372 1 127 . 1 1 13 13 SER CB C 13 62.516 0.114 . 1 . . 321 . . 13 SER CB . 25372 1 128 . 1 1 13 13 SER N N 15 113.290 0.0 . 1 . . 121 . . 13 SER N . 25372 1 129 . 1 1 14 14 GLN H H 1 7.839 0.0 . 1 . . 110 . . 14 GLN H . 25372 1 130 . 1 1 14 14 GLN HA H 1 3.966 . . 1 . . 933 . . 14 GLN HA . 25372 1 131 . 1 1 14 14 GLN C C 13 177.949 . . 1 . . 712 . . 14 GLN C . 25372 1 132 . 1 1 14 14 GLN CA C 13 58.660 0.007 . 1 . . 322 . . 14 GLN CA . 25372 1 133 . 1 1 14 14 GLN CB C 13 28.195 . . 1 . . 388 . . 14 GLN CB . 25372 1 134 . 1 1 14 14 GLN N N 15 123.956 . . 1 . . 109 . . 14 GLN N . 25372 1 135 . 1 1 15 15 ASN HA H 1 4.393 . . 1 . . 892 . . 15 ASN HA . 25372 1 136 . 1 1 15 15 ASN HB2 H 1 2.651 . . 2 . . 893 . . 15 ASN HB2 . 25372 1 137 . 1 1 15 15 ASN HB3 H 1 3.153 . . 2 . . 923 . . 15 ASN HB3 . 25372 1 138 . 1 1 15 15 ASN C C 13 177.930 . . 1 . . 847 . . 15 ASN C . 25372 1 139 . 1 1 15 15 ASN CA C 13 55.846 0.0 . 1 . . 354 . . 15 ASN CA . 25372 1 140 . 1 1 15 15 ASN CB C 13 37.679 0.076 . 1 . . 355 . . 15 ASN CB . 25372 1 141 . 1 1 16 16 VAL H H 1 7.831 0.001 . 1 . . 136 . . 16 VAL H . 25372 1 142 . 1 1 16 16 VAL HA H 1 3.208 0.003 . 1 . . 844 . . 16 VAL HA . 25372 1 143 . 1 1 16 16 VAL HB H 1 2.074 0.0 . 1 . . 843 . . 16 VAL HB . 25372 1 144 . 1 1 16 16 VAL HG11 H 1 0.734 0.018 . 1 . . 840 . . 16 VAL HG11 . 25372 1 145 . 1 1 16 16 VAL HG12 H 1 0.734 0.018 . 1 . . 840 . . 16 VAL HG12 . 25372 1 146 . 1 1 16 16 VAL HG13 H 1 0.734 0.018 . 1 . . 840 . . 16 VAL HG13 . 25372 1 147 . 1 1 16 16 VAL HG21 H 1 0.991 0.01 . 1 . . 841 . . 16 VAL HG21 . 25372 1 148 . 1 1 16 16 VAL HG22 H 1 0.991 0.01 . 1 . . 841 . . 16 VAL HG22 . 25372 1 149 . 1 1 16 16 VAL HG23 H 1 0.991 0.01 . 1 . . 841 . . 16 VAL HG23 . 25372 1 150 . 1 1 16 16 VAL C C 13 177.461 . . 1 . . 894 . . 16 VAL C . 25372 1 151 . 1 1 16 16 VAL CA C 13 67.895 0.031 . 1 . . 881 . . 16 VAL CA . 25372 1 152 . 1 1 16 16 VAL CG1 C 13 21.576 . . 1 . . 895 . . 16 VAL CG1 . 25372 1 153 . 1 1 16 16 VAL CG2 C 13 23.556 0.055 . 1 . . 842 . . 16 VAL CG2 . 25372 1 154 . 1 1 16 16 VAL N N 15 119.587 0.004 . 1 . . 135 . . 16 VAL N . 25372 1 155 . 1 1 17 17 ALA H H 1 7.847 . . 1 . . 839 . . 17 ALA H . 25372 1 156 . 1 1 17 17 ALA HA H 1 3.889 0.014 . 1 . . 545 . . 17 ALA HA . 25372 1 157 . 1 1 17 17 ALA HB1 H 1 1.357 0.0 . 1 . . 544 . . 17 ALA HB1 . 25372 1 158 . 1 1 17 17 ALA HB2 H 1 1.357 0.0 . 1 . . 544 . . 17 ALA HB2 . 25372 1 159 . 1 1 17 17 ALA HB3 H 1 1.357 0.0 . 1 . . 544 . . 17 ALA HB3 . 25372 1 160 . 1 1 17 17 ALA C C 13 180.680 . . 1 . . 366 . . 17 ALA C . 25372 1 161 . 1 1 17 17 ALA CA C 13 55.265 0.094 . 1 . . 987 . . 17 ALA CA . 25372 1 162 . 1 1 17 17 ALA CB C 13 18.074 0.082 . 1 . . 367 . . 17 ALA CB . 25372 1 163 . 1 1 17 17 ALA N N 15 120.660 . . 1 . . 838 . . 17 ALA N . 25372 1 164 . 1 1 18 18 GLU H H 1 8.400 0.001 . 1 . . 146 . . 18 GLU H . 25372 1 165 . 1 1 18 18 GLU HA H 1 3.895 . . 1 . . 939 . . 18 GLU HA . 25372 1 166 . 1 1 18 18 GLU HB2 H 1 2.011 0.009 . 2 . . 850 . . 18 GLU HB2 . 25372 1 167 . 1 1 18 18 GLU HB3 H 1 1.900 0.013 . 2 . . 851 . . 18 GLU HB3 . 25372 1 168 . 1 1 18 18 GLU HG2 H 1 2.321 . . 2 . . 848 . . 18 GLU HG2 . 25372 1 169 . 1 1 18 18 GLU HG3 H 1 2.129 . . 2 . . 849 . . 18 GLU HG3 . 25372 1 170 . 1 1 18 18 GLU C C 13 179.580 0.007 . 1 . . 331 . . 18 GLU C . 25372 1 171 . 1 1 18 18 GLU CA C 13 59.702 0.173 . 1 . . 332 . . 18 GLU CA . 25372 1 172 . 1 1 18 18 GLU CB C 13 29.857 0.01 . 1 . . 330 . . 18 GLU CB . 25372 1 173 . 1 1 18 18 GLU N N 15 120.287 0.0 . 1 . . 145 . . 18 GLU N . 25372 1 174 . 1 1 19 19 LEU H H 1 7.930 0.005 . 1 . . 120 . . 19 LEU H . 25372 1 175 . 1 1 19 19 LEU HA H 1 3.826 0.01 . 1 . . 657 . . 19 LEU HA . 25372 1 176 . 1 1 19 19 LEU HB2 H 1 1.647 0.014 . 2 . . 658 . . 19 LEU HB2 . 25372 1 177 . 1 1 19 19 LEU HB3 H 1 1.492 0.002 . 2 . . 659 . . 19 LEU HB3 . 25372 1 178 . 1 1 19 19 LEU HG H 1 1.436 0.002 . 1 . . 724 . . 19 LEU HG . 25372 1 179 . 1 1 19 19 LEU HD11 H 1 0.633 . . 1 . . 928 . . 19 LEU HD11 . 25372 1 180 . 1 1 19 19 LEU HD12 H 1 0.633 . . 1 . . 928 . . 19 LEU HD12 . 25372 1 181 . 1 1 19 19 LEU HD13 H 1 0.633 . . 1 . . 928 . . 19 LEU HD13 . 25372 1 182 . 1 1 19 19 LEU HD21 H 1 0.627 0.016 . 1 . . 660 . . 19 LEU HD21 . 25372 1 183 . 1 1 19 19 LEU HD22 H 1 0.627 0.016 . 1 . . 660 . . 19 LEU HD22 . 25372 1 184 . 1 1 19 19 LEU HD23 H 1 0.627 0.016 . 1 . . 660 . . 19 LEU HD23 . 25372 1 185 . 1 1 19 19 LEU C C 13 177.847 0.011 . 1 . . 243 . . 19 LEU C . 25372 1 186 . 1 1 19 19 LEU CA C 13 57.917 0.081 . 1 . . 242 . . 19 LEU CA . 25372 1 187 . 1 1 19 19 LEU CB C 13 41.847 0.091 . 1 . . 244 . . 19 LEU CB . 25372 1 188 . 1 1 19 19 LEU CG C 13 27.423 . . 1 . . 421 . . 19 LEU CG . 25372 1 189 . 1 1 19 19 LEU CD1 C 13 24.132 0.031 . 1 . . 929 . . 19 LEU CD1 . 25372 1 190 . 1 1 19 19 LEU CD2 C 13 26.457 0.028 . 1 . . 420 . . 19 LEU CD2 . 25372 1 191 . 1 1 19 19 LEU N N 15 120.490 0.0 . 1 . . 119 . . 19 LEU N . 25372 1 192 . 1 1 20 20 LEU H H 1 8.848 0.003 . 1 . . 52 . . 20 LEU H . 25372 1 193 . 1 1 20 20 LEU HA H 1 3.763 0.014 . 1 . . 540 . . 20 LEU HA . 25372 1 194 . 1 1 20 20 LEU HB2 H 1 1.295 0.001 . 2 . . 541 . . 20 LEU HB2 . 25372 1 195 . 1 1 20 20 LEU HB3 H 1 1.880 0.014 . 2 . . 725 . . 20 LEU HB3 . 25372 1 196 . 1 1 20 20 LEU HG H 1 1.478 0.017 . 1 . . 542 . . 20 LEU HG . 25372 1 197 . 1 1 20 20 LEU HD11 H 1 0.708 . . 1 . . 896 . . 20 LEU HD11 . 25372 1 198 . 1 1 20 20 LEU HD12 H 1 0.708 . . 1 . . 896 . . 20 LEU HD12 . 25372 1 199 . 1 1 20 20 LEU HD13 H 1 0.708 . . 1 . . 896 . . 20 LEU HD13 . 25372 1 200 . 1 1 20 20 LEU HD21 H 1 0.738 0.028 . 1 . . 543 . . 20 LEU HD21 . 25372 1 201 . 1 1 20 20 LEU HD22 H 1 0.738 0.028 . 1 . . 543 . . 20 LEU HD22 . 25372 1 202 . 1 1 20 20 LEU HD23 H 1 0.738 0.028 . 1 . . 543 . . 20 LEU HD23 . 25372 1 203 . 1 1 20 20 LEU C C 13 178.074 0.001 . 1 . . 245 . . 20 LEU C . 25372 1 204 . 1 1 20 20 LEU CA C 13 58.319 0.135 . 1 . . 405 . . 20 LEU CA . 25372 1 205 . 1 1 20 20 LEU CB C 13 41.855 0.06 . 1 . . 293 . . 20 LEU CB . 25372 1 206 . 1 1 20 20 LEU CG C 13 26.892 0.004 . 1 . . 456 . . 20 LEU CG . 25372 1 207 . 1 1 20 20 LEU CD1 C 13 24.077 0.029 . 1 . . 294 . . 20 LEU CD1 . 25372 1 208 . 1 1 20 20 LEU CD2 C 13 25.955 0.041 . 1 . . 292 . . 20 LEU CD2 . 25372 1 209 . 1 1 20 20 LEU N N 15 119.420 . . 1 . . 51 . . 20 LEU N . 25372 1 210 . 1 1 21 21 THR H H 1 8.035 0.001 . 1 . . 94 . . 21 THR H . 25372 1 211 . 1 1 21 21 THR HA H 1 3.686 0.011 . 1 . . 503 . . 21 THR HA . 25372 1 212 . 1 1 21 21 THR HB H 1 4.142 . . 1 . . 728 . . 21 THR HB . 25372 1 213 . 1 1 21 21 THR HG21 H 1 1.116 0.015 . 1 . . 504 . . 21 THR HG21 . 25372 1 214 . 1 1 21 21 THR HG22 H 1 1.116 0.015 . 1 . . 504 . . 21 THR HG22 . 25372 1 215 . 1 1 21 21 THR HG23 H 1 1.116 0.015 . 1 . . 504 . . 21 THR HG23 . 25372 1 216 . 1 1 21 21 THR C C 13 176.412 . . 1 . . 296 . . 21 THR C . 25372 1 217 . 1 1 21 21 THR CA C 13 66.968 0.055 . 1 . . 297 . . 21 THR CA . 25372 1 218 . 1 1 21 21 THR CB C 13 69.155 0.008 . 1 . . 295 . . 21 THR CB . 25372 1 219 . 1 1 21 21 THR CG2 C 13 21.772 0.115 . 1 . . 447 . . 21 THR CG2 . 25372 1 220 . 1 1 21 21 THR N N 15 114.368 0.0 . 1 . . 93 . . 21 THR N . 25372 1 221 . 1 1 22 22 VAL H H 1 7.168 0.012 . 1 . . 96 . . 22 VAL H . 25372 1 222 . 1 1 22 22 VAL HA H 1 3.745 0.017 . 1 . . 691 . . 22 VAL HA . 25372 1 223 . 1 1 22 22 VAL HB H 1 2.009 0.019 . 1 . . 690 . . 22 VAL HB . 25372 1 224 . 1 1 22 22 VAL HG11 H 1 0.805 0.018 . 1 . . 688 . . 22 VAL HG11 . 25372 1 225 . 1 1 22 22 VAL HG12 H 1 0.805 0.018 . 1 . . 688 . . 22 VAL HG12 . 25372 1 226 . 1 1 22 22 VAL HG13 H 1 0.805 0.018 . 1 . . 688 . . 22 VAL HG13 . 25372 1 227 . 1 1 22 22 VAL HG21 H 1 0.930 0.013 . 1 . . 689 . . 22 VAL HG21 . 25372 1 228 . 1 1 22 22 VAL HG22 H 1 0.930 0.013 . 1 . . 689 . . 22 VAL HG22 . 25372 1 229 . 1 1 22 22 VAL HG23 H 1 0.930 0.013 . 1 . . 689 . . 22 VAL HG23 . 25372 1 230 . 1 1 22 22 VAL C C 13 178.035 . . 1 . . 349 . . 22 VAL C . 25372 1 231 . 1 1 22 22 VAL CA C 13 65.994 0.096 . 1 . . 298 . . 22 VAL CA . 25372 1 232 . 1 1 22 22 VAL CB C 13 31.823 0.022 . 1 . . 350 . . 22 VAL CB . 25372 1 233 . 1 1 22 22 VAL CG1 C 13 22.622 0.064 . 1 . . 448 . . 22 VAL CG1 . 25372 1 234 . 1 1 22 22 VAL CG2 C 13 22.713 0.087 . 1 . . 897 . . 22 VAL CG2 . 25372 1 235 . 1 1 22 22 VAL N N 15 120.224 0.0 . 1 . . 95 . . 22 VAL N . 25372 1 236 . 1 1 23 23 LEU H H 1 8.252 0.011 . 1 . . 132 . . 23 LEU H . 25372 1 237 . 1 1 23 23 LEU HA H 1 3.788 0.017 . 1 . . 624 . . 23 LEU HA . 25372 1 238 . 1 1 23 23 LEU HB2 H 1 1.844 0.019 . 2 . . 625 . . 23 LEU HB2 . 25372 1 239 . 1 1 23 23 LEU HB3 H 1 1.483 0.013 . 2 . . 729 . . 23 LEU HB3 . 25372 1 240 . 1 1 23 23 LEU HD11 H 1 0.683 . . 1 . . 925 . . 23 LEU HD11 . 25372 1 241 . 1 1 23 23 LEU HD12 H 1 0.683 . . 1 . . 925 . . 23 LEU HD12 . 25372 1 242 . 1 1 23 23 LEU HD13 H 1 0.683 . . 1 . . 925 . . 23 LEU HD13 . 25372 1 243 . 1 1 23 23 LEU HD21 H 1 0.689 0.015 . 1 . . 626 . . 23 LEU HD21 . 25372 1 244 . 1 1 23 23 LEU HD22 H 1 0.689 0.015 . 1 . . 626 . . 23 LEU HD22 . 25372 1 245 . 1 1 23 23 LEU HD23 H 1 0.689 0.015 . 1 . . 626 . . 23 LEU HD23 . 25372 1 246 . 1 1 23 23 LEU C C 13 180.163 0.001 . 1 . . 206 . . 23 LEU C . 25372 1 247 . 1 1 23 23 LEU CA C 13 58.147 0.179 . 1 . . 207 . . 23 LEU CA . 25372 1 248 . 1 1 23 23 LEU CB C 13 41.471 0.032 . 1 . . 205 . . 23 LEU CB . 25372 1 249 . 1 1 23 23 LEU CD1 C 13 26.443 0.026 . 1 . . 926 . . 23 LEU CD1 . 25372 1 250 . 1 1 23 23 LEU CD2 C 13 22.830 0.046 . 1 . . 432 . . 23 LEU CD2 . 25372 1 251 . 1 1 23 23 LEU N N 15 120.421 0.058 . 1 . . 131 . . 23 LEU N . 25372 1 252 . 1 1 24 24 MET H H 1 8.736 0.001 . 1 . . 32 . . 24 MET H . 25372 1 253 . 1 1 24 24 MET HA H 1 4.064 0.017 . 1 . . 681 . . 24 MET HA . 25372 1 254 . 1 1 24 24 MET HB2 H 1 1.918 0.012 . 2 . . 730 . . 24 MET HB2 . 25372 1 255 . 1 1 24 24 MET HB3 H 1 2.134 0.012 . 2 . . 731 . . 24 MET HB3 . 25372 1 256 . 1 1 24 24 MET HG2 H 1 2.617 0.013 . 2 . . 682 . . 24 MET HG2 . 25372 1 257 . 1 1 24 24 MET HG3 H 1 2.464 0.012 . 2 . . 683 . . 24 MET HG3 . 25372 1 258 . 1 1 24 24 MET C C 13 179.055 0.003 . 1 . . 209 . . 24 MET C . 25372 1 259 . 1 1 24 24 MET CA C 13 57.753 0.136 . 1 . . 210 . . 24 MET CA . 25372 1 260 . 1 1 24 24 MET CB C 13 31.565 0.006 . 1 . . 208 . . 24 MET CB . 25372 1 261 . 1 1 24 24 MET CG C 13 32.833 0.087 . 1 . . 309 . . 24 MET CG . 25372 1 262 . 1 1 24 24 MET N N 15 118.475 0.0 . 1 . . 31 . . 24 MET N . 25372 1 263 . 1 1 25 25 ASP H H 1 7.807 0.004 . 1 . . 104 . . 25 ASP H . 25372 1 264 . 1 1 25 25 ASP HA H 1 4.354 0.013 . 1 . . 627 . . 25 ASP HA . 25372 1 265 . 1 1 25 25 ASP HB2 H 1 2.829 0.018 . 2 . . 628 . . 25 ASP HB2 . 25372 1 266 . 1 1 25 25 ASP HB3 H 1 2.445 0.018 . 2 . . 629 . . 25 ASP HB3 . 25372 1 267 . 1 1 25 25 ASP C C 13 179.365 0.007 . 1 . . 312 . . 25 ASP C . 25372 1 268 . 1 1 25 25 ASP CA C 13 57.375 0.1 . 1 . . 311 . . 25 ASP CA . 25372 1 269 . 1 1 25 25 ASP CB C 13 41.142 0.029 . 1 . . 310 . . 25 ASP CB . 25372 1 270 . 1 1 25 25 ASP N N 15 122.460 0.0 . 1 . . 103 . . 25 ASP N . 25372 1 271 . 1 1 26 26 ILE H H 1 8.097 0.005 . 1 . . 144 . . 26 ILE H . 25372 1 272 . 1 1 26 26 ILE HA H 1 3.414 0.014 . 1 . . 501 . . 26 ILE HA . 25372 1 273 . 1 1 26 26 ILE HB H 1 1.806 0.018 . 1 . . 733 . . 26 ILE HB . 25372 1 274 . 1 1 26 26 ILE HG12 H 1 1.662 0.009 . 1 . . 734 . . 26 ILE HG12 . 25372 1 275 . 1 1 26 26 ILE HG21 H 1 0.712 0.017 . 1 . . 502 . . 26 ILE HG21 . 25372 1 276 . 1 1 26 26 ILE HG22 H 1 0.712 0.017 . 1 . . 502 . . 26 ILE HG22 . 25372 1 277 . 1 1 26 26 ILE HG23 H 1 0.712 0.017 . 1 . . 502 . . 26 ILE HG23 . 25372 1 278 . 1 1 26 26 ILE HD11 H 1 0.706 0.0 . 1 . . 917 . . 26 ILE HD11 . 25372 1 279 . 1 1 26 26 ILE HD12 H 1 0.706 0.0 . 1 . . 917 . . 26 ILE HD12 . 25372 1 280 . 1 1 26 26 ILE HD13 H 1 0.706 0.0 . 1 . . 917 . . 26 ILE HD13 . 25372 1 281 . 1 1 26 26 ILE C C 13 177.261 0.008 . 1 . . 212 . . 26 ILE C . 25372 1 282 . 1 1 26 26 ILE CA C 13 65.675 0.142 . 1 . . 211 . . 26 ILE CA . 25372 1 283 . 1 1 26 26 ILE CB C 13 38.280 0.073 . 1 . . 365 . . 26 ILE CB . 25372 1 284 . 1 1 26 26 ILE CG1 C 13 30.657 . . 1 . . 943 . . 26 ILE CG1 . 25372 1 285 . 1 1 26 26 ILE CG2 C 13 17.422 0.001 . 1 . . 735 . . 26 ILE CG2 . 25372 1 286 . 1 1 26 26 ILE CD1 C 13 14.042 0.06 . 1 . . 446 . . 26 ILE CD1 . 25372 1 287 . 1 1 26 26 ILE N N 15 120.036 0.0 . 1 . . 143 . . 26 ILE N . 25372 1 288 . 1 1 27 27 ASN H H 1 8.080 0.004 . 1 . . 34 . . 27 ASN H . 25372 1 289 . 1 1 27 27 ASN HA H 1 4.260 0.013 . 1 . . 470 . . 27 ASN HA . 25372 1 290 . 1 1 27 27 ASN HB2 H 1 2.757 0.023 . 2 . . 471 . . 27 ASN HB2 . 25372 1 291 . 1 1 27 27 ASN HB3 H 1 2.574 0.013 . 2 . . 472 . . 27 ASN HB3 . 25372 1 292 . 1 1 27 27 ASN C C 13 176.557 0.002 . 1 . . 213 . . 27 ASN C . 25372 1 293 . 1 1 27 27 ASN CA C 13 56.573 0.007 . 1 . . 214 . . 27 ASN CA . 25372 1 294 . 1 1 27 27 ASN CB C 13 39.598 0.102 . 1 . . 219 . . 27 ASN CB . 25372 1 295 . 1 1 27 27 ASN N N 15 117.673 0.0 . 1 . . 33 . . 27 ASN N . 25372 1 296 . 1 1 28 28 LYS H H 1 7.761 0.0 . 1 . . 38 . . 28 LYS H . 25372 1 297 . 1 1 28 28 LYS HA H 1 3.915 0.01 . 1 . . 466 . . 28 LYS HA . 25372 1 298 . 1 1 28 28 LYS HB3 H 1 1.819 0.016 . 1 . . 469 . . 28 LYS HB3 . 25372 1 299 . 1 1 28 28 LYS HG2 H 1 1.352 0.026 . 2 . . 464 . . 28 LYS HG2 . 25372 1 300 . 1 1 28 28 LYS HG3 H 1 1.267 0.006 . 2 . . 465 . . 28 LYS HG3 . 25372 1 301 . 1 1 28 28 LYS HD2 H 1 1.540 0.028 . 1 . . 463 . . 28 LYS HD2 . 25372 1 302 . 1 1 28 28 LYS HE2 H 1 2.810 0.017 . 1 . . 467 . . 28 LYS HE2 . 25372 1 303 . 1 1 28 28 LYS C C 13 179.723 0.011 . 1 . . 222 . . 28 LYS C . 25372 1 304 . 1 1 28 28 LYS CA C 13 58.771 0.145 . 1 . . 221 . . 28 LYS CA . 25372 1 305 . 1 1 28 28 LYS CB C 13 32.196 0.08 . 1 . . 220 . . 28 LYS CB . 25372 1 306 . 1 1 28 28 LYS CG C 13 24.992 0.088 . 1 . . 443 . . 28 LYS CG . 25372 1 307 . 1 1 28 28 LYS CD C 13 29.577 0.003 . 1 . . 445 . . 28 LYS CD . 25372 1 308 . 1 1 28 28 LYS CE C 13 42.095 0.115 . 1 . . 444 . . 28 LYS CE . 25372 1 309 . 1 1 28 28 LYS N N 15 118.851 0.0 . 1 . . 37 . . 28 LYS N . 25372 1 310 . 1 1 29 29 ILE H H 1 7.944 0.0 . 1 . . 56 . . 29 ILE H . 25372 1 311 . 1 1 29 29 ILE HA H 1 3.677 0.013 . 1 . . 514 . . 29 ILE HA . 25372 1 312 . 1 1 29 29 ILE HB H 1 1.729 0.013 . 1 . . 515 . . 29 ILE HB . 25372 1 313 . 1 1 29 29 ILE HG12 H 1 1.548 0.003 . 2 . . 736 . . 29 ILE HG12 . 25372 1 314 . 1 1 29 29 ILE HG13 H 1 0.976 0.001 . 2 . . 737 . . 29 ILE HG13 . 25372 1 315 . 1 1 29 29 ILE HG21 H 1 0.712 0.012 . 1 . . 517 . . 29 ILE HG21 . 25372 1 316 . 1 1 29 29 ILE HG22 H 1 0.712 0.012 . 1 . . 517 . . 29 ILE HG22 . 25372 1 317 . 1 1 29 29 ILE HG23 H 1 0.712 0.012 . 1 . . 517 . . 29 ILE HG23 . 25372 1 318 . 1 1 29 29 ILE HD11 H 1 0.635 0.011 . 1 . . 516 . . 29 ILE HD11 . 25372 1 319 . 1 1 29 29 ILE HD12 H 1 0.635 0.011 . 1 . . 516 . . 29 ILE HD12 . 25372 1 320 . 1 1 29 29 ILE HD13 H 1 0.635 0.011 . 1 . . 516 . . 29 ILE HD13 . 25372 1 321 . 1 1 29 29 ILE C C 13 177.312 . . 1 . . 248 . . 29 ILE C . 25372 1 322 . 1 1 29 29 ILE CA C 13 63.789 0.258 . 1 . . 942 . . 29 ILE CA . 25372 1 323 . 1 1 29 29 ILE CB C 13 38.273 0.134 . 1 . . 247 . . 29 ILE CB . 25372 1 324 . 1 1 29 29 ILE CG2 C 13 17.526 0.001 . 1 . . 434 . . 29 ILE CG2 . 25372 1 325 . 1 1 29 29 ILE CD1 C 13 14.529 0.137 . 1 . . 433 . . 29 ILE CD1 . 25372 1 326 . 1 1 29 29 ILE N N 15 121.801 0.0 . 1 . . 55 . . 29 ILE N . 25372 1 327 . 1 1 30 30 ASN H H 1 7.982 0.004 . 1 . . 72 . . 30 ASN H . 25372 1 328 . 1 1 30 30 ASN HA H 1 4.505 0.013 . 1 . . 557 . . 30 ASN HA . 25372 1 329 . 1 1 30 30 ASN HB2 H 1 2.771 0.018 . 2 . . 558 . . 30 ASN HB2 . 25372 1 330 . 1 1 30 30 ASN HB3 H 1 2.673 0.019 . 2 . . 559 . . 30 ASN HB3 . 25372 1 331 . 1 1 30 30 ASN C C 13 176.038 0.001 . 1 . . 163 . . 30 ASN C . 25372 1 332 . 1 1 30 30 ASN CA C 13 53.284 0.092 . 1 . . 164 . . 30 ASN CA . 25372 1 333 . 1 1 30 30 ASN CB C 13 38.735 0.056 . 1 . . 165 . . 30 ASN CB . 25372 1 334 . 1 1 30 30 ASN N N 15 117.763 0.001 . 1 . . 71 . . 30 ASN N . 25372 1 335 . 1 1 31 31 GLY H H 1 7.837 0.001 . 1 . . 6 . . 31 GLY H . 25372 1 336 . 1 1 31 31 GLY HA2 H 1 3.941 0.017 . 2 . . 590 . . 31 GLY HA2 . 25372 1 337 . 1 1 31 31 GLY HA3 H 1 3.680 0.016 . 2 . . 591 . . 31 GLY HA3 . 25372 1 338 . 1 1 31 31 GLY C C 13 175.362 0.004 . 1 . . 160 . . 31 GLY C . 25372 1 339 . 1 1 31 31 GLY CA C 13 45.921 0.048 . 1 . . 161 . . 31 GLY CA . 25372 1 340 . 1 1 31 31 GLY N N 15 109.216 0.031 . 1 . . 5 . . 31 GLY N . 25372 1 341 . 1 1 32 32 GLY H H 1 8.280 0.004 . 1 . . 4 . . 32 GLY H . 25372 1 342 . 1 1 32 32 GLY HA2 H 1 3.836 0.019 . 2 . . 497 . . 32 GLY HA2 . 25372 1 343 . 1 1 32 32 GLY HA3 H 1 3.702 0.013 . 2 . . 498 . . 32 GLY HA3 . 25372 1 344 . 1 1 32 32 GLY C C 13 173.560 0.001 . 1 . . 307 . . 32 GLY C . 25372 1 345 . 1 1 32 32 GLY CA C 13 44.774 0.071 . 1 . . 162 . . 32 GLY CA . 25372 1 346 . 1 1 32 32 GLY N N 15 108.078 0.036 . 1 . . 3 . . 32 GLY N . 25372 1 347 . 1 1 33 33 ASP H H 1 8.138 0.0 . 1 . . 102 . . 33 ASP H . 25372 1 348 . 1 1 33 33 ASP HA H 1 4.579 . . 1 . . 670 . . 33 ASP HA . 25372 1 349 . 1 1 33 33 ASP HB2 H 1 2.857 . . 2 . . 671 . . 33 ASP HB2 . 25372 1 350 . 1 1 33 33 ASP HB3 H 1 2.655 . . 2 . . 672 . . 33 ASP HB3 . 25372 1 351 . 1 1 33 33 ASP C C 13 177.198 0.001 . 1 . . 308 . . 33 ASP C . 25372 1 352 . 1 1 33 33 ASP CA C 13 53.202 0.11 . 1 . . 401 . . 33 ASP CA . 25372 1 353 . 1 1 33 33 ASP CB C 13 42.007 0.137 . 1 . . 231 . . 33 ASP CB . 25372 1 354 . 1 1 33 33 ASP N N 15 120.233 0.0 . 1 . . 101 . . 33 ASP N . 25372 1 355 . 1 1 34 34 SER H H 1 8.432 0.005 . 1 . . 46 . . 34 SER H . 25372 1 356 . 1 1 34 34 SER HA H 1 4.118 0.012 . 1 . . 577 . . 34 SER HA . 25372 1 357 . 1 1 34 34 SER HB2 H 1 3.839 0.011 . 2 . . 578 . . 34 SER HB2 . 25372 1 358 . 1 1 34 34 SER HB3 H 1 3.784 0.012 . 2 . . 579 . . 34 SER HB3 . 25372 1 359 . 1 1 34 34 SER C C 13 176.327 0.002 . 1 . . 402 . . 34 SER C . 25372 1 360 . 1 1 34 34 SER CA C 13 60.721 0.145 . 1 . . 400 . . 34 SER CA . 25372 1 361 . 1 1 34 34 SER CB C 13 63.075 0.117 . 1 . . 193 . . 34 SER CB . 25372 1 362 . 1 1 34 34 SER N N 15 116.098 0.0 . 1 . . 45 . . 34 SER N . 25372 1 363 . 1 1 35 35 THR H H 1 8.210 0.0 . 1 . . 24 . . 35 THR H . 25372 1 364 . 1 1 35 35 THR HA H 1 4.058 0.012 . 1 . . 608 . . 35 THR HA . 25372 1 365 . 1 1 35 35 THR HB H 1 4.141 0.011 . 1 . . 738 . . 35 THR HB . 25372 1 366 . 1 1 35 35 THR HG21 H 1 1.082 0.018 . 1 . . 609 . . 35 THR HG21 . 25372 1 367 . 1 1 35 35 THR HG22 H 1 1.082 0.018 . 1 . . 609 . . 35 THR HG22 . 25372 1 368 . 1 1 35 35 THR HG23 H 1 1.082 0.018 . 1 . . 609 . . 35 THR HG23 . 25372 1 369 . 1 1 35 35 THR C C 13 176.557 0.006 . 1 . . 302 . . 35 THR C . 25372 1 370 . 1 1 35 35 THR CA C 13 64.876 0.095 . 1 . . 303 . . 35 THR CA . 25372 1 371 . 1 1 35 35 THR CB C 13 68.910 0.047 . 1 . . 384 . . 35 THR CB . 25372 1 372 . 1 1 35 35 THR CG2 C 13 21.648 0.115 . 1 . . 304 . . 35 THR CG2 . 25372 1 373 . 1 1 35 35 THR N N 15 119.076 0.002 . 1 . . 23 . . 35 THR N . 25372 1 374 . 1 1 36 36 THR H H 1 7.982 0.001 . 1 . . 100 . . 36 THR H . 25372 1 375 . 1 1 36 36 THR HA H 1 3.954 0.012 . 1 . . 630 . . 36 THR HA . 25372 1 376 . 1 1 36 36 THR HB H 1 4.233 . . 1 . . 739 . . 36 THR HB . 25372 1 377 . 1 1 36 36 THR HG21 H 1 1.101 0.017 . 1 . . 631 . . 36 THR HG21 . 25372 1 378 . 1 1 36 36 THR HG22 H 1 1.101 0.017 . 1 . . 631 . . 36 THR HG22 . 25372 1 379 . 1 1 36 36 THR HG23 H 1 1.101 0.017 . 1 . . 631 . . 36 THR HG23 . 25372 1 380 . 1 1 36 36 THR C C 13 176.250 0.007 . 1 . . 306 . . 36 THR C . 25372 1 381 . 1 1 36 36 THR CA C 13 64.470 0.136 . 1 . . 305 . . 36 THR CA . 25372 1 382 . 1 1 36 36 THR CB C 13 68.775 0.343 . 1 . . 361 . . 36 THR CB . 25372 1 383 . 1 1 36 36 THR CG2 C 13 22.597 0.044 . 1 . . 362 . . 36 THR CG2 . 25372 1 384 . 1 1 36 36 THR N N 15 116.971 0.0 . 1 . . 99 . . 36 THR N . 25372 1 385 . 1 1 37 37 ALA H H 1 8.095 0.001 . 1 . . 142 . . 37 ALA H . 25372 1 386 . 1 1 37 37 ALA HA H 1 3.800 . . 1 . . 549 . . 37 ALA HA . 25372 1 387 . 1 1 37 37 ALA HB1 H 1 1.323 . . 1 . . 550 . . 37 ALA HB1 . 25372 1 388 . 1 1 37 37 ALA HB2 H 1 1.323 . . 1 . . 550 . . 37 ALA HB2 . 25372 1 389 . 1 1 37 37 ALA HB3 H 1 1.323 . . 1 . . 550 . . 37 ALA HB3 . 25372 1 390 . 1 1 37 37 ALA C C 13 179.792 0.001 . 1 . . 363 . . 37 ALA C . 25372 1 391 . 1 1 37 37 ALA CA C 13 55.675 0.043 . 1 . . 364 . . 37 ALA CA . 25372 1 392 . 1 1 37 37 ALA CB C 13 18.493 0.092 . 1 . . 391 . . 37 ALA CB . 25372 1 393 . 1 1 37 37 ALA N N 15 124.516 0.0 . 1 . . 141 . . 37 ALA N . 25372 1 394 . 1 1 38 38 GLU H H 1 7.922 0.0 . 1 . . 98 . . 38 GLU H . 25372 1 395 . 1 1 38 38 GLU HA H 1 3.849 0.01 . 1 . . 566 . . 38 GLU HA . 25372 1 396 . 1 1 38 38 GLU HB2 H 1 1.983 0.022 . 2 . . 568 . . 38 GLU HB2 . 25372 1 397 . 1 1 38 38 GLU HB3 H 1 1.935 0.003 . 2 . . 742 . . 38 GLU HB3 . 25372 1 398 . 1 1 38 38 GLU HG2 H 1 2.201 0.009 . 1 . . 567 . . 38 GLU HG2 . 25372 1 399 . 1 1 38 38 GLU C C 13 179.145 0.002 . 1 . . 300 . . 38 GLU C . 25372 1 400 . 1 1 38 38 GLU CA C 13 59.380 0.082 . 1 . . 301 . . 38 GLU CA . 25372 1 401 . 1 1 38 38 GLU CB C 13 29.061 0.109 . 1 . . 299 . . 38 GLU CB . 25372 1 402 . 1 1 38 38 GLU CG C 13 35.834 0.086 . 1 . . 423 . . 38 GLU CG . 25372 1 403 . 1 1 38 38 GLU N N 15 117.359 0.0 . 1 . . 97 . . 38 GLU N . 25372 1 404 . 1 1 39 39 LYS H H 1 7.452 0.001 . 1 . . 8 . . 39 LYS H . 25372 1 405 . 1 1 39 39 LYS HA H 1 3.884 0.001 . 1 . . 853 . . 39 LYS HA . 25372 1 406 . 1 1 39 39 LYS HB2 H 1 1.836 . . 2 . . 852 . . 39 LYS HB2 . 25372 1 407 . 1 1 39 39 LYS HB3 H 1 1.722 . . 2 . . 854 . . 39 LYS HB3 . 25372 1 408 . 1 1 39 39 LYS HG2 H 1 1.439 . . 2 . . 855 . . 39 LYS HG2 . 25372 1 409 . 1 1 39 39 LYS HG3 H 1 1.271 . . 2 . . 912 . . 39 LYS HG3 . 25372 1 410 . 1 1 39 39 LYS C C 13 179.729 . . 1 . . 166 . . 39 LYS C . 25372 1 411 . 1 1 39 39 LYS CA C 13 59.150 0.0 . 1 . . 167 . . 39 LYS CA . 25372 1 412 . 1 1 39 39 LYS CB C 13 32.280 . . 1 . . 909 . . 39 LYS CB . 25372 1 413 . 1 1 39 39 LYS CG C 13 25.559 . . 1 . . 911 . . 39 LYS CG . 25372 1 414 . 1 1 39 39 LYS CD C 13 29.645 . . 1 . . 910 . . 39 LYS CD . 25372 1 415 . 1 1 39 39 LYS N N 15 119.113 0.0 . 1 . . 7 . . 39 LYS N . 25372 1 416 . 1 1 40 40 MET H H 1 7.990 0.001 . 1 . . 124 . . 40 MET H . 25372 1 417 . 1 1 40 40 MET C C 13 177.767 . . 1 . . 337 . . 40 MET C . 25372 1 418 . 1 1 40 40 MET CA C 13 57.991 . . 1 . . 336 . . 40 MET CA . 25372 1 419 . 1 1 40 40 MET CB C 13 32.999 . . 1 . . 335 . . 40 MET CB . 25372 1 420 . 1 1 40 40 MET N N 15 118.998 . . 1 . . 123 . . 40 MET N . 25372 1 421 . 1 1 41 41 LYS H H 1 7.812 0.007 . 1 . . 22 . . 41 LYS H . 25372 1 422 . 1 1 41 41 LYS HA H 1 3.750 0.009 . 1 . . 869 . . 41 LYS HA . 25372 1 423 . 1 1 41 41 LYS HB2 H 1 1.829 0.012 . 1 . . 868 . . 41 LYS HB2 . 25372 1 424 . 1 1 41 41 LYS HG2 H 1 1.246 0.008 . 2 . . 865 . . 41 LYS HG2 . 25372 1 425 . 1 1 41 41 LYS HG3 H 1 1.384 . . 2 . . 866 . . 41 LYS HG3 . 25372 1 426 . 1 1 41 41 LYS HE2 H 1 2.760 0.015 . 2 . . 870 . . 41 LYS HE2 . 25372 1 427 . 1 1 41 41 LYS HE3 H 1 2.693 0.002 . 2 . . 871 . . 41 LYS HE3 . 25372 1 428 . 1 1 41 41 LYS C C 13 178.511 0.002 . 1 . . 414 . . 41 LYS C . 25372 1 429 . 1 1 41 41 LYS CA C 13 60.498 0.031 . 1 . . 409 . . 41 LYS CA . 25372 1 430 . 1 1 41 41 LYS CB C 13 32.247 0.052 . 1 . . 356 . . 41 LYS CB . 25372 1 431 . 1 1 41 41 LYS CG C 13 25.734 . . 1 . . 357 . . 41 LYS CG . 25372 1 432 . 1 1 41 41 LYS CD C 13 29.584 . . 1 . . 699 . . 41 LYS CD . 25372 1 433 . 1 1 41 41 LYS CE C 13 42.166 . . 1 . . 698 . . 41 LYS CE . 25372 1 434 . 1 1 41 41 LYS N N 15 120.583 0.006 . 1 . . 21 . . 41 LYS N . 25372 1 435 . 1 1 42 42 VAL H H 1 7.442 0.001 . 1 . . 138 . . 42 VAL H . 25372 1 436 . 1 1 42 42 VAL HA H 1 3.483 0.005 . 1 . . 863 . . 42 VAL HA . 25372 1 437 . 1 1 42 42 VAL HB H 1 2.016 . . 1 . . 864 . . 42 VAL HB . 25372 1 438 . 1 1 42 42 VAL HG11 H 1 0.820 . . 1 . . 784 . . 42 VAL HG11 . 25372 1 439 . 1 1 42 42 VAL HG12 H 1 0.820 . . 1 . . 784 . . 42 VAL HG12 . 25372 1 440 . 1 1 42 42 VAL HG13 H 1 0.820 . . 1 . . 784 . . 42 VAL HG13 . 25372 1 441 . 1 1 42 42 VAL HG21 H 1 0.941 0.013 . 1 . . 785 . . 42 VAL HG21 . 25372 1 442 . 1 1 42 42 VAL HG22 H 1 0.941 0.013 . 1 . . 785 . . 42 VAL HG22 . 25372 1 443 . 1 1 42 42 VAL HG23 H 1 0.941 0.013 . 1 . . 785 . . 42 VAL HG23 . 25372 1 444 . 1 1 42 42 VAL CA C 13 66.345 0.083 . 1 . . 408 . . 42 VAL CA . 25372 1 445 . 1 1 42 42 VAL CB C 13 31.994 0.023 . 1 . . 358 . . 42 VAL CB . 25372 1 446 . 1 1 42 42 VAL CG1 C 13 21.152 . . 1 . . 919 . . 42 VAL CG1 . 25372 1 447 . 1 1 42 42 VAL CG2 C 13 22.668 0.001 . 1 . . 920 . . 42 VAL CG2 . 25372 1 448 . 1 1 42 42 VAL N N 15 118.966 0.007 . 1 . . 137 . . 42 VAL N . 25372 1 449 . 1 1 43 43 HIS H H 1 7.940 0.009 . 1 . . 862 . . 43 HIS H . 25372 1 450 . 1 1 43 43 HIS HA H 1 4.279 0.01 . 1 . . 507 . . 43 HIS HA . 25372 1 451 . 1 1 43 43 HIS HB2 H 1 3.059 0.014 . 1 . . 508 . . 43 HIS HB2 . 25372 1 452 . 1 1 43 43 HIS C C 13 177.500 . . 1 . . 324 . . 43 HIS C . 25372 1 453 . 1 1 43 43 HIS CA C 13 58.351 1.391 . 1 . . 415 . . 43 HIS CA . 25372 1 454 . 1 1 43 43 HIS CB C 13 30.059 0.04 . 1 . . 323 . . 43 HIS CB . 25372 1 455 . 1 1 43 43 HIS N N 15 120.494 0.137 . 1 . . 861 . . 43 HIS N . 25372 1 456 . 1 1 44 44 ALA H H 1 8.477 0.0 . 1 . . 112 . . 44 ALA H . 25372 1 457 . 1 1 44 44 ALA HA H 1 3.764 0.018 . 1 . . 635 . . 44 ALA HA . 25372 1 458 . 1 1 44 44 ALA HB1 H 1 1.345 0.012 . 1 . . 636 . . 44 ALA HB1 . 25372 1 459 . 1 1 44 44 ALA HB2 H 1 1.345 0.012 . 1 . . 636 . . 44 ALA HB2 . 25372 1 460 . 1 1 44 44 ALA HB3 H 1 1.345 0.012 . 1 . . 636 . . 44 ALA HB3 . 25372 1 461 . 1 1 44 44 ALA C C 13 178.652 0.002 . 1 . . 327 . . 44 ALA C . 25372 1 462 . 1 1 44 44 ALA CA C 13 55.777 0.204 . 1 . . 326 . . 44 ALA CA . 25372 1 463 . 1 1 44 44 ALA CB C 13 18.822 0.047 . 1 . . 325 . . 44 ALA CB . 25372 1 464 . 1 1 44 44 ALA N N 15 121.706 0.0 . 1 . . 111 . . 44 ALA N . 25372 1 465 . 1 1 45 45 LYS H H 1 7.879 0.005 . 1 . . 92 . . 45 LYS H . 25372 1 466 . 1 1 45 45 LYS HA H 1 3.934 0.018 . 1 . . 478 . . 45 LYS HA . 25372 1 467 . 1 1 45 45 LYS HB2 H 1 1.786 0.022 . 1 . . 480 . . 45 LYS HB2 . 25372 1 468 . 1 1 45 45 LYS HG2 H 1 1.305 0.015 . 1 . . 482 . . 45 LYS HG2 . 25372 1 469 . 1 1 45 45 LYS HD2 H 1 1.524 0.013 . 1 . . 481 . . 45 LYS HD2 . 25372 1 470 . 1 1 45 45 LYS HE2 H 1 2.786 0.02 . 2 . . 479 . . 45 LYS HE2 . 25372 1 471 . 1 1 45 45 LYS HE3 H 1 2.693 . . 2 . . 743 . . 45 LYS HE3 . 25372 1 472 . 1 1 45 45 LYS C C 13 180.092 0.001 . 1 . . 290 . . 45 LYS C . 25372 1 473 . 1 1 45 45 LYS CA C 13 59.726 0.12 . 1 . . 291 . . 45 LYS CA . 25372 1 474 . 1 1 45 45 LYS CB C 13 32.808 0.129 . 1 . . 289 . . 45 LYS CB . 25372 1 475 . 1 1 45 45 LYS CG C 13 25.844 0.123 . 1 . . 351 . . 45 LYS CG . 25372 1 476 . 1 1 45 45 LYS CD C 13 29.681 0.08 . 1 . . 352 . . 45 LYS CD . 25372 1 477 . 1 1 45 45 LYS CE C 13 41.983 0.115 . 1 . . 457 . . 45 LYS CE . 25372 1 478 . 1 1 45 45 LYS N N 15 115.901 0.0 . 1 . . 91 . . 45 LYS N . 25372 1 479 . 1 1 46 46 SER H H 1 8.493 0.001 . 1 . . 134 . . 46 SER H . 25372 1 480 . 1 1 46 46 SER HA H 1 4.119 0.01 . 1 . . 637 . . 46 SER HA . 25372 1 481 . 1 1 46 46 SER HB2 H 1 3.887 0.016 . 2 . . 638 . . 46 SER HB2 . 25372 1 482 . 1 1 46 46 SER HB3 H 1 3.839 0.022 . 2 . . 639 . . 46 SER HB3 . 25372 1 483 . 1 1 46 46 SER C C 13 176.983 . . 1 . . 413 . . 46 SER C . 25372 1 484 . 1 1 46 46 SER CA C 13 61.719 0.099 . 1 . . 353 . . 46 SER CA . 25372 1 485 . 1 1 46 46 SER CB C 13 62.735 0.191 . 1 . . 203 . . 46 SER CB . 25372 1 486 . 1 1 46 46 SER N N 15 116.604 0.0 . 1 . . 133 . . 46 SER N . 25372 1 487 . 1 1 47 47 PHE H H 1 8.568 0.0 . 1 . . 30 . . 47 PHE H . 25372 1 488 . 1 1 47 47 PHE HA H 1 3.990 0.001 . 1 . . 789 . . 47 PHE HA . 25372 1 489 . 1 1 47 47 PHE HB2 H 1 2.915 . . 2 . . 787 . . 47 PHE HB2 . 25372 1 490 . 1 1 47 47 PHE HB3 H 1 2.862 . . 2 . . 788 . . 47 PHE HB3 . 25372 1 491 . 1 1 47 47 PHE C C 13 177.664 . . 1 . . 204 . . 47 PHE C . 25372 1 492 . 1 1 47 47 PHE CA C 13 61.127 0.018 . 1 . . 786 . . 47 PHE CA . 25372 1 493 . 1 1 47 47 PHE CB C 13 39.171 . . 1 . . 385 . . 47 PHE CB . 25372 1 494 . 1 1 47 47 PHE N N 15 124.046 0.0 . 1 . . 29 . . 47 PHE N . 25372 1 495 . 1 1 48 48 GLU H H 1 7.784 . . 1 . . 845 . . 48 GLU H . 25372 1 496 . 1 1 48 48 GLU HA H 1 3.609 0.099 . 1 . . 539 . . 48 GLU HA . 25372 1 497 . 1 1 48 48 GLU HB2 H 1 2.124 0.007 . 2 . . 538 . . 48 GLU HB2 . 25372 1 498 . 1 1 48 48 GLU HB3 H 1 1.602 0.003 . 2 . . 873 . . 48 GLU HB3 . 25372 1 499 . 1 1 48 48 GLU HG2 H 1 2.287 0.016 . 2 . . 537 . . 48 GLU HG2 . 25372 1 500 . 1 1 48 48 GLU HG3 H 1 2.547 . . 2 . . 872 . . 48 GLU HG3 . 25372 1 501 . 1 1 48 48 GLU C C 13 177.536 . . 1 . . 403 . . 48 GLU C . 25372 1 502 . 1 1 48 48 GLU CA C 13 61.182 0.114 . 1 . . 404 . . 48 GLU CA . 25372 1 503 . 1 1 48 48 GLU CB C 13 29.554 0.019 . 1 . . 338 . . 48 GLU CB . 25372 1 504 . 1 1 48 48 GLU CG C 13 36.638 0.045 . 1 . . 339 . . 48 GLU CG . 25372 1 505 . 1 1 48 48 GLU N N 15 119.904 . . 1 . . 846 . . 48 GLU N . 25372 1 506 . 1 1 49 49 ALA H H 1 7.917 0.003 . 1 . . 126 . . 49 ALA H . 25372 1 507 . 1 1 49 49 ALA HA H 1 3.676 0.013 . 1 . . 526 . . 49 ALA HA . 25372 1 508 . 1 1 49 49 ALA HB1 H 1 1.362 0.013 . 1 . . 527 . . 49 ALA HB1 . 25372 1 509 . 1 1 49 49 ALA HB2 H 1 1.362 0.013 . 1 . . 527 . . 49 ALA HB2 . 25372 1 510 . 1 1 49 49 ALA HB3 H 1 1.362 0.013 . 1 . . 527 . . 49 ALA HB3 . 25372 1 511 . 1 1 49 49 ALA C C 13 180.405 0.001 . 1 . . 157 . . 49 ALA C . 25372 1 512 . 1 1 49 49 ALA CA C 13 55.085 0.424 . 1 . . 379 . . 49 ALA CA . 25372 1 513 . 1 1 49 49 ALA CB C 13 18.114 0.063 . 1 . . 340 . . 49 ALA CB . 25372 1 514 . 1 1 49 49 ALA N N 15 120.216 0.0 . 1 . . 125 . . 49 ALA N . 25372 1 515 . 1 1 50 50 ALA H H 1 7.831 0.0 . 1 . . 155 . . 50 ALA H . 25372 1 516 . 1 1 50 50 ALA HA H 1 4.006 0.013 . 1 . . 476 . . 50 ALA HA . 25372 1 517 . 1 1 50 50 ALA HB1 H 1 1.243 0.018 . 1 . . 477 . . 50 ALA HB1 . 25372 1 518 . 1 1 50 50 ALA HB2 H 1 1.243 0.018 . 1 . . 477 . . 50 ALA HB2 . 25372 1 519 . 1 1 50 50 ALA HB3 H 1 1.243 0.018 . 1 . . 477 . . 50 ALA HB3 . 25372 1 520 . 1 1 50 50 ALA C C 13 180.323 0.005 . 1 . . 158 . . 50 ALA C . 25372 1 521 . 1 1 50 50 ALA CA C 13 54.672 0.165 . 1 . . 281 . . 50 ALA CA . 25372 1 522 . 1 1 50 50 ALA CB C 13 17.934 0.057 . 1 . . 280 . . 50 ALA CB . 25372 1 523 . 1 1 50 50 ALA N N 15 120.830 0.002 . 1 . . 156 . . 50 ALA N . 25372 1 524 . 1 1 51 51 LEU H H 1 7.594 0.005 . 1 . . 84 . . 51 LEU H . 25372 1 525 . 1 1 51 51 LEU HA H 1 3.868 0.01 . 1 . . 569 . . 51 LEU HA . 25372 1 526 . 1 1 51 51 LEU HB2 H 1 1.529 0.015 . 2 . . 570 . . 51 LEU HB2 . 25372 1 527 . 1 1 51 51 LEU HB3 H 1 1.225 0.011 . 2 . . 572 . . 51 LEU HB3 . 25372 1 528 . 1 1 51 51 LEU HG H 1 1.452 0.016 . 1 . . 571 . . 51 LEU HG . 25372 1 529 . 1 1 51 51 LEU HD11 H 1 0.625 0.03 . 1 . . 573 . . 51 LEU HD11 . 25372 1 530 . 1 1 51 51 LEU HD12 H 1 0.625 0.03 . 1 . . 573 . . 51 LEU HD12 . 25372 1 531 . 1 1 51 51 LEU HD13 H 1 0.625 0.03 . 1 . . 573 . . 51 LEU HD13 . 25372 1 532 . 1 1 51 51 LEU HD21 H 1 0.603 0.012 . 1 . . 574 . . 51 LEU HD21 . 25372 1 533 . 1 1 51 51 LEU HD22 H 1 0.603 0.012 . 1 . . 574 . . 51 LEU HD22 . 25372 1 534 . 1 1 51 51 LEU HD23 H 1 0.603 0.012 . 1 . . 574 . . 51 LEU HD23 . 25372 1 535 . 1 1 51 51 LEU C C 13 180.503 0.017 . 1 . . 194 . . 51 LEU C . 25372 1 536 . 1 1 51 51 LEU CA C 13 57.747 0.099 . 1 . . 196 . . 51 LEU CA . 25372 1 537 . 1 1 51 51 LEU CB C 13 41.569 0.097 . 1 . . 195 . . 51 LEU CB . 25372 1 538 . 1 1 51 51 LEU CG C 13 27.244 0.099 . 1 . . 198 . . 51 LEU CG . 25372 1 539 . 1 1 51 51 LEU CD1 C 13 24.417 0.115 . 1 . . 197 . . 51 LEU CD1 . 25372 1 540 . 1 1 51 51 LEU CD2 C 13 25.462 0.031 . 1 . . 199 . . 51 LEU CD2 . 25372 1 541 . 1 1 51 51 LEU N N 15 119.849 0.0 . 1 . . 83 . . 51 LEU N . 25372 1 542 . 1 1 52 52 PHE H H 1 9.022 0.001 . 1 . . 26 . . 52 PHE H . 25372 1 543 . 1 1 52 52 PHE HA H 1 3.766 0.012 . 1 . . 645 . . 52 PHE HA . 25372 1 544 . 1 1 52 52 PHE HB2 H 1 3.114 0.015 . 2 . . 646 . . 52 PHE HB2 . 25372 1 545 . 1 1 52 52 PHE HB3 H 1 2.973 0.016 . 2 . . 647 . . 52 PHE HB3 . 25372 1 546 . 1 1 52 52 PHE C C 13 177.570 0.004 . 1 . . 200 . . 52 PHE C . 25372 1 547 . 1 1 52 52 PHE CA C 13 63.035 0.059 . 1 . . 201 . . 52 PHE CA . 25372 1 548 . 1 1 52 52 PHE CB C 13 39.385 0.109 . 1 . . 215 . . 52 PHE CB . 25372 1 549 . 1 1 52 52 PHE N N 15 122.976 0.0 . 1 . . 25 . . 52 PHE N . 25372 1 550 . 1 1 53 53 GLU H H 1 8.083 0.005 . 1 . . 36 . . 53 GLU H . 25372 1 551 . 1 1 53 53 GLU HA H 1 3.641 0.011 . 1 . . 483 . . 53 GLU HA . 25372 1 552 . 1 1 53 53 GLU HB2 H 1 2.025 . . 2 . . 485 . . 53 GLU HB2 . 25372 1 553 . 1 1 53 53 GLU HB3 H 1 1.941 0.015 . 2 . . 486 . . 53 GLU HB3 . 25372 1 554 . 1 1 53 53 GLU HG2 H 1 2.222 0.014 . 1 . . 484 . . 53 GLU HG2 . 25372 1 555 . 1 1 53 53 GLU C C 13 177.741 0.014 . 1 . . 218 . . 53 GLU C . 25372 1 556 . 1 1 53 53 GLU CA C 13 59.240 0.13 . 1 . . 217 . . 53 GLU CA . 25372 1 557 . 1 1 53 53 GLU CB C 13 29.796 0.094 . 1 . . 216 . . 53 GLU CB . 25372 1 558 . 1 1 53 53 GLU CG C 13 36.058 0.115 . 1 . . 238 . . 53 GLU CG . 25372 1 559 . 1 1 53 53 GLU N N 15 117.896 0.0 . 1 . . 35 . . 53 GLU N . 25372 1 560 . 1 1 54 54 LYS H H 1 7.575 0.001 . 1 . . 50 . . 54 LYS H . 25372 1 561 . 1 1 54 54 LYS HA H 1 4.008 0.007 . 1 . . 580 . . 54 LYS HA . 25372 1 562 . 1 1 54 54 LYS HB2 H 1 1.738 0.024 . 2 . . 582 . . 54 LYS HB2 . 25372 1 563 . 1 1 54 54 LYS HB3 H 1 1.650 . . 2 . . 583 . . 54 LYS HB3 . 25372 1 564 . 1 1 54 54 LYS HG2 H 1 1.433 0.016 . 2 . . 584 . . 54 LYS HG2 . 25372 1 565 . 1 1 54 54 LYS HG3 H 1 1.321 0.026 . 2 . . 585 . . 54 LYS HG3 . 25372 1 566 . 1 1 54 54 LYS HD2 H 1 1.543 0.006 . 2 . . 586 . . 54 LYS HD2 . 25372 1 567 . 1 1 54 54 LYS HD3 H 1 1.612 . . 2 . . 744 . . 54 LYS HD3 . 25372 1 568 . 1 1 54 54 LYS HE2 H 1 2.733 . . 1 . . 581 . . 54 LYS HE2 . 25372 1 569 . 1 1 54 54 LYS C C 13 177.682 0.003 . 1 . . 241 . . 54 LYS C . 25372 1 570 . 1 1 54 54 LYS CA C 13 57.000 0.115 . 1 . . 240 . . 54 LYS CA . 25372 1 571 . 1 1 54 54 LYS CB C 13 33.164 0.109 . 1 . . 239 . . 54 LYS CB . 25372 1 572 . 1 1 54 54 LYS CG C 13 24.695 0.108 . 1 . . 314 . . 54 LYS CG . 25372 1 573 . 1 1 54 54 LYS CD C 13 29.183 0.115 . 1 . . 313 . . 54 LYS CD . 25372 1 574 . 1 1 54 54 LYS CE C 13 41.884 0.115 . 1 . . 422 . . 54 LYS CE . 25372 1 575 . 1 1 54 54 LYS N N 15 114.936 0.0 . 1 . . 49 . . 54 LYS N . 25372 1 576 . 1 1 55 55 SER H H 1 7.345 0.0 . 1 . . 106 . . 55 SER H . 25372 1 577 . 1 1 55 55 SER HA H 1 4.193 0.014 . 1 . . 655 . . 55 SER HA . 25372 1 578 . 1 1 55 55 SER HB2 H 1 3.686 0.034 . 1 . . 656 . . 55 SER HB2 . 25372 1 579 . 1 1 55 55 SER C C 13 173.998 0.005 . 1 . . 317 . . 55 SER C . 25372 1 580 . 1 1 55 55 SER CA C 13 60.591 0.136 . 1 . . 316 . . 55 SER CA . 25372 1 581 . 1 1 55 55 SER CB C 13 65.076 0.126 . 1 . . 315 . . 55 SER CB . 25372 1 582 . 1 1 55 55 SER N N 15 116.124 0.0 . 1 . . 105 . . 55 SER N . 25372 1 583 . 1 1 56 56 SER H H 1 9.058 0.001 . 1 . . 118 . . 56 SER H . 25372 1 584 . 1 1 56 56 SER HA H 1 4.339 0.021 . 1 . . 499 . . 56 SER HA . 25372 1 585 . 1 1 56 56 SER HB2 H 1 3.806 0.012 . 1 . . 500 . . 56 SER HB2 . 25372 1 586 . 1 1 56 56 SER C C 13 173.933 0.075 . 1 . . 258 . . 56 SER C . 25372 1 587 . 1 1 56 56 SER CA C 13 58.876 0.052 . 1 . . 329 . . 56 SER CA . 25372 1 588 . 1 1 56 56 SER CB C 13 64.329 0.195 . 1 . . 390 . . 56 SER CB . 25372 1 589 . 1 1 56 56 SER N N 15 116.796 0.0 . 1 . . 117 . . 56 SER N . 25372 1 590 . 1 1 57 57 SER H H 1 7.313 0.0 . 1 . . 64 . . 57 SER H . 25372 1 591 . 1 1 57 57 SER HA H 1 4.544 0.013 . 1 . . 614 . . 57 SER HA . 25372 1 592 . 1 1 57 57 SER HB2 H 1 4.216 0.02 . 2 . . 615 . . 57 SER HB2 . 25372 1 593 . 1 1 57 57 SER HB3 H 1 3.891 0.019 . 2 . . 616 . . 57 SER HB3 . 25372 1 594 . 1 1 57 57 SER C C 13 173.858 0.001 . 1 . . 260 . . 57 SER C . 25372 1 595 . 1 1 57 57 SER CA C 13 56.671 0.022 . 1 . . 259 . . 57 SER CA . 25372 1 596 . 1 1 57 57 SER CB C 13 66.437 0.134 . 1 . . 386 . . 57 SER CB . 25372 1 597 . 1 1 57 57 SER N N 15 111.976 0.0 . 1 . . 63 . . 57 SER N . 25372 1 598 . 1 1 58 58 LYS H H 1 8.749 0.003 . 1 . . 2 . . 58 LYS H . 25372 1 599 . 1 1 58 58 LYS HA H 1 3.803 0.017 . 1 . . 604 . . 58 LYS HA . 25372 1 600 . 1 1 58 58 LYS HB2 H 1 1.538 0.014 . 1 . . 606 . . 58 LYS HB2 . 25372 1 601 . 1 1 58 58 LYS HG2 H 1 1.194 0.014 . 1 . . 607 . . 58 LYS HG2 . 25372 1 602 . 1 1 58 58 LYS HE2 H 1 2.784 0.024 . 1 . . 605 . . 58 LYS HE2 . 25372 1 603 . 1 1 58 58 LYS C C 13 177.287 0.002 . 1 . . 410 . . 58 LYS C . 25372 1 604 . 1 1 58 58 LYS CA C 13 59.533 0.111 . 1 . . 159 . . 58 LYS CA . 25372 1 605 . 1 1 58 58 LYS CB C 13 32.499 0.077 . 1 . . 382 . . 58 LYS CB . 25372 1 606 . 1 1 58 58 LYS CG C 13 24.480 0.075 . 1 . . 438 . . 58 LYS CG . 25372 1 607 . 1 1 58 58 LYS CD C 13 30.077 . . 1 . . 278 . . 58 LYS CD . 25372 1 608 . 1 1 58 58 LYS CE C 13 42.001 0.115 . 1 . . 437 . . 58 LYS CE . 25372 1 609 . 1 1 58 58 LYS N N 15 122.543 0.032 . 1 . . 1 . . 58 LYS N . 25372 1 610 . 1 1 59 59 GLU H H 1 9.092 0.003 . 1 . . 82 . . 59 GLU H . 25372 1 611 . 1 1 59 59 GLU HA H 1 3.905 0.009 . 1 . . 587 . . 59 GLU HA . 25372 1 612 . 1 1 59 59 GLU HB2 H 1 2.027 . . 2 . . 874 . . 59 GLU HB2 . 25372 1 613 . 1 1 59 59 GLU HB3 H 1 1.774 . . 2 . . 875 . . 59 GLU HB3 . 25372 1 614 . 1 1 59 59 GLU HG2 H 1 2.350 0.024 . 2 . . 588 . . 59 GLU HG2 . 25372 1 615 . 1 1 59 59 GLU HG3 H 1 2.105 0.019 . 2 . . 589 . . 59 GLU HG3 . 25372 1 616 . 1 1 59 59 GLU C C 13 178.873 0.007 . 1 . . 232 . . 59 GLU C . 25372 1 617 . 1 1 59 59 GLU CA C 13 58.349 6.855 . 1 . . 279 . . 59 GLU CA . 25372 1 618 . 1 1 59 59 GLU CB C 13 28.730 0.107 . 1 . . 233 . . 59 GLU CB . 25372 1 619 . 1 1 59 59 GLU CG C 13 37.346 0.039 . 1 . . 234 . . 59 GLU CG . 25372 1 620 . 1 1 59 59 GLU N N 15 119.776 0.0 . 1 . . 81 . . 59 GLU N . 25372 1 621 . 1 1 60 60 GLU H H 1 7.976 0.0 . 1 . . 48 . . 60 GLU H . 25372 1 622 . 1 1 60 60 GLU HA H 1 3.892 0.001 . 1 . . 877 . . 60 GLU HA . 25372 1 623 . 1 1 60 60 GLU HB2 H 1 1.923 0.012 . 1 . . 876 . . 60 GLU HB2 . 25372 1 624 . 1 1 60 60 GLU HG2 H 1 2.093 . . 2 . . 878 . . 60 GLU HG2 . 25372 1 625 . 1 1 60 60 GLU HG3 H 1 2.173 0.0 . 2 . . 879 . . 60 GLU HG3 . 25372 1 626 . 1 1 60 60 GLU C C 13 179.052 . . 1 . . 236 . . 60 GLU C . 25372 1 627 . 1 1 60 60 GLU CA C 13 59.293 . . 1 . . 237 . . 60 GLU CA . 25372 1 628 . 1 1 60 60 GLU CB C 13 30.385 0.0 . 1 . . 235 . . 60 GLU CB . 25372 1 629 . 1 1 60 60 GLU N N 15 120.508 0.0 . 1 . . 47 . . 60 GLU N . 25372 1 630 . 1 1 61 61 TYR H H 1 7.759 . . 1 . . 793 . . 61 TYR H . 25372 1 631 . 1 1 61 61 TYR HA H 1 3.943 0.012 . 1 . . 528 . . 61 TYR HA . 25372 1 632 . 1 1 61 61 TYR HB2 H 1 3.021 0.018 . 2 . . 529 . . 61 TYR HB2 . 25372 1 633 . 1 1 61 61 TYR HB3 H 1 2.962 0.016 . 2 . . 530 . . 61 TYR HB3 . 25372 1 634 . 1 1 61 61 TYR C C 13 176.010 . . 1 . . 184 . . 61 TYR C . 25372 1 635 . 1 1 61 61 TYR CA C 13 61.627 0.136 . 1 . . 424 . . 61 TYR CA . 25372 1 636 . 1 1 61 61 TYR CB C 13 37.839 0.07 . 1 . . 988 . . 61 TYR CB . 25372 1 637 . 1 1 61 61 TYR N N 15 121.347 . . 1 . . 880 . . 61 TYR N . 25372 1 638 . 1 1 62 62 GLN H H 1 8.432 0.001 . 1 . . 18 . . 62 GLN H . 25372 1 639 . 1 1 62 62 GLN HA H 1 3.507 0.014 . 1 . . 640 . . 62 GLN HA . 25372 1 640 . 1 1 62 62 GLN HB2 H 1 2.107 0.016 . 2 . . 643 . . 62 GLN HB2 . 25372 1 641 . 1 1 62 62 GLN HB3 H 1 1.899 0.015 . 2 . . 644 . . 62 GLN HB3 . 25372 1 642 . 1 1 62 62 GLN HG2 H 1 2.533 0.014 . 2 . . 641 . . 62 GLN HG2 . 25372 1 643 . 1 1 62 62 GLN HG3 H 1 2.365 0.015 . 2 . . 642 . . 62 GLN HG3 . 25372 1 644 . 1 1 62 62 GLN C C 13 179.232 0.007 . 1 . . 187 . . 62 GLN C . 25372 1 645 . 1 1 62 62 GLN CA C 13 58.902 0.065 . 1 . . 186 . . 62 GLN CA . 25372 1 646 . 1 1 62 62 GLN CB C 13 28.408 0.107 . 1 . . 185 . . 62 GLN CB . 25372 1 647 . 1 1 62 62 GLN CG C 13 34.307 0.063 . 1 . . 372 . . 62 GLN CG . 25372 1 648 . 1 1 62 62 GLN N N 15 117.625 0.0 . 1 . . 17 . . 62 GLN N . 25372 1 649 . 1 1 63 63 LYS H H 1 8.198 0.001 . 1 . . 152 . . 63 LYS H . 25372 1 650 . 1 1 63 63 LYS HA H 1 3.893 0.021 . 1 . . 661 . . 63 LYS HA . 25372 1 651 . 1 1 63 63 LYS HB2 H 1 1.791 0.018 . 2 . . 663 . . 63 LYS HB2 . 25372 1 652 . 1 1 63 63 LYS HB3 H 1 1.732 0.015 . 2 . . 664 . . 63 LYS HB3 . 25372 1 653 . 1 1 63 63 LYS HG2 H 1 1.416 0.014 . 2 . . 666 . . 63 LYS HG2 . 25372 1 654 . 1 1 63 63 LYS HG3 H 1 1.278 0.013 . 2 . . 667 . . 63 LYS HG3 . 25372 1 655 . 1 1 63 63 LYS HD2 H 1 1.509 0.017 . 1 . . 665 . . 63 LYS HD2 . 25372 1 656 . 1 1 63 63 LYS HE2 H 1 2.790 0.02 . 1 . . 662 . . 63 LYS HE2 . 25372 1 657 . 1 1 63 63 LYS C C 13 179.645 0.002 . 1 . . 407 . . 63 LYS C . 25372 1 658 . 1 1 63 63 LYS CA C 13 59.493 0.145 . 1 . . 406 . . 63 LYS CA . 25372 1 659 . 1 1 63 63 LYS CB C 13 32.686 0.105 . 1 . . 267 . . 63 LYS CB . 25372 1 660 . 1 1 63 63 LYS CG C 13 25.130 0.054 . 1 . . 268 . . 63 LYS CG . 25372 1 661 . 1 1 63 63 LYS CD C 13 29.523 0.115 . 1 . . 269 . . 63 LYS CD . 25372 1 662 . 1 1 63 63 LYS CE C 13 42.120 0.115 . 1 . . 426 . . 63 LYS CE . 25372 1 663 . 1 1 63 63 LYS N N 15 119.556 0.0 . 1 . . 151 . . 63 LYS N . 25372 1 664 . 1 1 64 64 THR H H 1 8.157 0.001 . 1 . . 76 . . 64 THR H . 25372 1 665 . 1 1 64 64 THR HA H 1 3.832 0.015 . 1 . . 461 . . 64 THR HA . 25372 1 666 . 1 1 64 64 THR HB H 1 4.017 0.014 . 1 . . 745 . . 64 THR HB . 25372 1 667 . 1 1 64 64 THR HG21 H 1 1.152 0.017 . 1 . . 462 . . 64 THR HG21 . 25372 1 668 . 1 1 64 64 THR HG22 H 1 1.152 0.017 . 1 . . 462 . . 64 THR HG22 . 25372 1 669 . 1 1 64 64 THR HG23 H 1 1.152 0.017 . 1 . . 462 . . 64 THR HG23 . 25372 1 670 . 1 1 64 64 THR C C 13 176.780 . . 1 . . 412 . . 64 THR C . 25372 1 671 . 1 1 64 64 THR CA C 13 66.409 0.086 . 1 . . 411 . . 64 THR CA . 25372 1 672 . 1 1 64 64 THR CB C 13 68.024 0.622 . 1 . . 270 . . 64 THR CB . 25372 1 673 . 1 1 64 64 THR CG2 C 13 22.848 0.068 . 1 . . 429 . . 64 THR CG2 . 25372 1 674 . 1 1 64 64 THR N N 15 116.886 0.0 . 1 . . 75 . . 64 THR N . 25372 1 675 . 1 1 65 65 MET H H 1 8.356 0.001 . 1 . . 116 . . 65 MET H . 25372 1 676 . 1 1 65 65 MET HA H 1 4.096 . . 1 . . 473 . . 65 MET HA . 25372 1 677 . 1 1 65 65 MET HB2 H 1 1.651 . . 2 . . 475 . . 65 MET HB2 . 25372 1 678 . 1 1 65 65 MET HB3 H 1 1.352 . . 2 . . 938 . . 65 MET HB3 . 25372 1 679 . 1 1 65 65 MET C C 13 177.475 . . 1 . . 345 . . 65 MET C . 25372 1 680 . 1 1 65 65 MET CA C 13 57.585 0.15 . 1 . . 344 . . 65 MET CA . 25372 1 681 . 1 1 65 65 MET CB C 13 31.283 0.185 . 1 . . 389 . . 65 MET CB . 25372 1 682 . 1 1 65 65 MET N N 15 123.332 0.006 . 1 . . 115 . . 65 MET N . 25372 1 683 . 1 1 66 66 LYS H H 1 7.703 0.005 . 1 . . 130 . . 66 LYS H . 25372 1 684 . 1 1 66 66 LYS HA H 1 3.769 0.002 . 1 . . 551 . . 66 LYS HA . 25372 1 685 . 1 1 66 66 LYS HB2 H 1 1.723 0.014 . 2 . . 553 . . 66 LYS HB2 . 25372 1 686 . 1 1 66 66 LYS HB3 H 1 1.809 0.018 . 2 . . 746 . . 66 LYS HB3 . 25372 1 687 . 1 1 66 66 LYS HG2 H 1 1.285 0.019 . 1 . . 555 . . 66 LYS HG2 . 25372 1 688 . 1 1 66 66 LYS HD2 H 1 1.475 0.019 . 2 . . 554 . . 66 LYS HD2 . 25372 1 689 . 1 1 66 66 LYS HD3 H 1 1.567 0.018 . 2 . . 899 . . 66 LYS HD3 . 25372 1 690 . 1 1 66 66 LYS HE2 H 1 2.835 0.008 . 1 . . 552 . . 66 LYS HE2 . 25372 1 691 . 1 1 66 66 LYS C C 13 178.323 . . 1 . . 348 . . 66 LYS C . 25372 1 692 . 1 1 66 66 LYS CA C 13 59.567 0.124 . 1 . . 347 . . 66 LYS CA . 25372 1 693 . 1 1 66 66 LYS CB C 13 32.188 0.076 . 1 . . 346 . . 66 LYS CB . 25372 1 694 . 1 1 66 66 LYS CG C 13 24.941 0.115 . 1 . . 455 . . 66 LYS CG . 25372 1 695 . 1 1 66 66 LYS CD C 13 28.995 0.108 . 1 . . 454 . . 66 LYS CD . 25372 1 696 . 1 1 66 66 LYS CE C 13 42.303 0.072 . 1 . . 453 . . 66 LYS CE . 25372 1 697 . 1 1 66 66 LYS N N 15 118.739 0.0 . 1 . . 129 . . 66 LYS N . 25372 1 698 . 1 1 67 67 SER H H 1 7.863 0.0 . 1 . . 28 . . 67 SER H . 25372 1 699 . 1 1 67 67 SER HA H 1 4.137 0.012 . 1 . . 518 . . 67 SER HA . 25372 1 700 . 1 1 67 67 SER HB2 H 1 3.867 0.024 . 1 . . 519 . . 67 SER HB2 . 25372 1 701 . 1 1 67 67 SER C C 13 177.357 . . 1 . . 272 . . 67 SER C . 25372 1 702 . 1 1 67 67 SER CA C 13 61.635 0.036 . 1 . . 271 . . 67 SER CA . 25372 1 703 . 1 1 67 67 SER CB C 13 62.901 0.093 . 1 . . 202 . . 67 SER CB . 25372 1 704 . 1 1 67 67 SER N N 15 113.100 0.0 . 1 . . 27 . . 67 SER N . 25372 1 705 . 1 1 68 68 LYS H H 1 7.926 0.001 . 1 . . 78 . . 68 LYS H . 25372 1 706 . 1 1 68 68 LYS HA H 1 4.058 0.017 . 1 . . 560 . . 68 LYS HA . 25372 1 707 . 1 1 68 68 LYS HB2 H 1 1.928 0.009 . 2 . . 561 . . 68 LYS HB2 . 25372 1 708 . 1 1 68 68 LYS HB3 H 1 1.826 0.017 . 2 . . 562 . . 68 LYS HB3 . 25372 1 709 . 1 1 68 68 LYS HD2 H 1 1.252 0.011 . 2 . . 565 . . 68 LYS HD2 . 25372 1 710 . 1 1 68 68 LYS HD3 H 1 1.507 . . 2 . . 747 . . 68 LYS HD3 . 25372 1 711 . 1 1 68 68 LYS C C 13 178.446 0.006 . 1 . . 274 . . 68 LYS C . 25372 1 712 . 1 1 68 68 LYS CA C 13 57.882 0.183 . 1 . . 273 . . 68 LYS CA . 25372 1 713 . 1 1 68 68 LYS CB C 13 31.521 0.091 . 1 . . 381 . . 68 LYS CB . 25372 1 714 . 1 1 68 68 LYS CG C 13 24.653 . . 1 . . 458 . . 68 LYS CG . 25372 1 715 . 1 1 68 68 LYS CD C 13 27.890 0.122 . 1 . . 459 . . 68 LYS CD . 25372 1 716 . 1 1 68 68 LYS CE C 13 42.076 . . 1 . . 460 . . 68 LYS CE . 25372 1 717 . 1 1 68 68 LYS N N 15 122.926 0.0 . 1 . . 77 . . 68 LYS N . 25372 1 718 . 1 1 69 69 ILE H H 1 8.049 0.006 . 1 . . 74 . . 69 ILE H . 25372 1 719 . 1 1 69 69 ILE HA H 1 3.291 0.014 . 1 . . 632 . . 69 ILE HA . 25372 1 720 . 1 1 69 69 ILE HB H 1 1.708 0.014 . 1 . . 633 . . 69 ILE HB . 25372 1 721 . 1 1 69 69 ILE HG21 H 1 0.734 0.012 . 1 . . 634 . . 69 ILE HG21 . 25372 1 722 . 1 1 69 69 ILE HG22 H 1 0.734 0.012 . 1 . . 634 . . 69 ILE HG22 . 25372 1 723 . 1 1 69 69 ILE HG23 H 1 0.734 0.012 . 1 . . 634 . . 69 ILE HG23 . 25372 1 724 . 1 1 69 69 ILE HD11 H 1 0.694 . . 1 . . 921 . . 69 ILE HD11 . 25372 1 725 . 1 1 69 69 ILE HD12 H 1 0.694 . . 1 . . 921 . . 69 ILE HD12 . 25372 1 726 . 1 1 69 69 ILE HD13 H 1 0.694 . . 1 . . 921 . . 69 ILE HD13 . 25372 1 727 . 1 1 69 69 ILE C C 13 178.137 . . 1 . . 223 . . 69 ILE C . 25372 1 728 . 1 1 69 69 ILE CA C 13 66.412 0.035 . 1 . . 266 . . 69 ILE CA . 25372 1 729 . 1 1 69 69 ILE CB C 13 38.018 0.092 . 1 . . 265 . . 69 ILE CB . 25372 1 730 . 1 1 69 69 ILE CG2 C 13 17.893 0.034 . 1 . . 224 . . 69 ILE CG2 . 25372 1 731 . 1 1 69 69 ILE CD1 C 13 13.659 0.02 . 1 . . 418 . . 69 ILE CD1 . 25372 1 732 . 1 1 69 69 ILE N N 15 120.657 0.0 . 1 . . 73 . . 69 ILE N . 25372 1 733 . 1 1 70 70 ASP H H 1 8.662 0.001 . 1 . . 40 . . 70 ASP H . 25372 1 734 . 1 1 70 70 ASP HA H 1 4.180 0.01 . 1 . . 494 . . 70 ASP HA . 25372 1 735 . 1 1 70 70 ASP HB2 H 1 2.616 0.017 . 2 . . 495 . . 70 ASP HB2 . 25372 1 736 . 1 1 70 70 ASP HB3 H 1 2.456 0.012 . 2 . . 496 . . 70 ASP HB3 . 25372 1 737 . 1 1 70 70 ASP C C 13 179.455 0.004 . 1 . . 226 . . 70 ASP C . 25372 1 738 . 1 1 70 70 ASP CA C 13 57.697 0.101 . 1 . . 227 . . 70 ASP CA . 25372 1 739 . 1 1 70 70 ASP CB C 13 39.852 0.11 . 1 . . 225 . . 70 ASP CB . 25372 1 740 . 1 1 70 70 ASP N N 15 120.064 0.0 . 1 . . 39 . . 70 ASP N . 25372 1 741 . 1 1 71 71 ALA H H 1 8.048 0.0 . 1 . . 42 . . 71 ALA H . 25372 1 742 . 1 1 71 71 ALA HA H 1 4.023 0.011 . 1 . . 623 . . 71 ALA HA . 25372 1 743 . 1 1 71 71 ALA HB1 H 1 1.396 . . 1 . . 622 . . 71 ALA HB1 . 25372 1 744 . 1 1 71 71 ALA HB2 H 1 1.396 . . 1 . . 622 . . 71 ALA HB2 . 25372 1 745 . 1 1 71 71 ALA HB3 H 1 1.396 . . 1 . . 622 . . 71 ALA HB3 . 25372 1 746 . 1 1 71 71 ALA C C 13 181.073 0.01 . 1 . . 229 . . 71 ALA C . 25372 1 747 . 1 1 71 71 ALA CA C 13 55.082 0.172 . 1 . . 230 . . 71 ALA CA . 25372 1 748 . 1 1 71 71 ALA CB C 13 18.124 0.002 . 1 . . 228 . . 71 ALA CB . 25372 1 749 . 1 1 71 71 ALA N N 15 123.533 0.0 . 1 . . 41 . . 71 ALA N . 25372 1 750 . 1 1 72 72 MET H H 1 8.002 0.001 . 1 . . 62 . . 72 MET H . 25372 1 751 . 1 1 72 72 MET HA H 1 4.152 0.013 . 1 . . 673 . . 72 MET HA . 25372 1 752 . 1 1 72 72 MET HB2 H 1 2.069 . . 2 . . 798 . . 72 MET HB2 . 25372 1 753 . 1 1 72 72 MET HB3 H 1 1.743 . . 2 . . 799 . . 72 MET HB3 . 25372 1 754 . 1 1 72 72 MET HG2 H 1 2.507 . . 2 . . 674 . . 72 MET HG2 . 25372 1 755 . 1 1 72 72 MET HG3 H 1 2.344 0.008 . 2 . . 675 . . 72 MET HG3 . 25372 1 756 . 1 1 72 72 MET C C 13 178.610 0.003 . 1 . . 256 . . 72 MET C . 25372 1 757 . 1 1 72 72 MET CA C 13 57.408 0.131 . 1 . . 257 . . 72 MET CA . 25372 1 758 . 1 1 72 72 MET CB C 13 31.942 0.02 . 1 . . 171 . . 72 MET CB . 25372 1 759 . 1 1 72 72 MET N N 15 118.690 0.0 . 1 . . 61 . . 72 MET N . 25372 1 760 . 1 1 73 73 ARG H H 1 8.651 0.001 . 1 . . 12 . . 73 ARG H . 25372 1 761 . 1 1 73 73 ARG HA H 1 3.621 0.014 . 1 . . 684 . . 73 ARG HA . 25372 1 762 . 1 1 73 73 ARG HB2 H 1 1.771 0.013 . 2 . . 686 . . 73 ARG HB2 . 25372 1 763 . 1 1 73 73 ARG HB3 H 1 1.838 0.002 . 2 . . 749 . . 73 ARG HB3 . 25372 1 764 . 1 1 73 73 ARG HG2 H 1 1.396 0.003 . 1 . . 687 . . 73 ARG HG2 . 25372 1 765 . 1 1 73 73 ARG HD2 H 1 3.059 0.011 . 1 . . 685 . . 73 ARG HD2 . 25372 1 766 . 1 1 73 73 ARG C C 13 177.935 0.008 . 1 . . 173 . . 73 ARG C . 25372 1 767 . 1 1 73 73 ARG CA C 13 60.393 0.03 . 1 . . 946 . . 73 ARG CA . 25372 1 768 . 1 1 73 73 ARG CB C 13 30.097 0.092 . 1 . . 172 . . 73 ARG CB . 25372 1 769 . 1 1 73 73 ARG CD C 13 43.484 0.08 . 1 . . 451 . . 73 ARG CD . 25372 1 770 . 1 1 73 73 ARG N N 15 121.385 0.0 . 1 . . 11 . . 73 ARG N . 25372 1 771 . 1 1 74 74 SER H H 1 7.913 0.005 . 1 . . 90 . . 74 SER H . 25372 1 772 . 1 1 74 74 SER HA H 1 4.130 0.01 . 1 . . 505 . . 74 SER HA . 25372 1 773 . 1 1 74 74 SER HB2 H 1 3.872 0.015 . 1 . . 506 . . 74 SER HB2 . 25372 1 774 . 1 1 74 74 SER C C 13 177.197 0.005 . 1 . . 399 . . 74 SER C . 25372 1 775 . 1 1 74 74 SER CA C 13 61.495 0.178 . 1 . . 288 . . 74 SER CA . 25372 1 776 . 1 1 74 74 SER CB C 13 62.812 0.092 . 1 . . 449 . . 74 SER CB . 25372 1 777 . 1 1 74 74 SER N N 15 114.495 . . 1 . . 89 . . 74 SER N . 25372 1 778 . 1 1 75 75 THR H H 1 7.890 0.007 . 1 . . 140 . . 75 THR H . 25372 1 779 . 1 1 75 75 THR HA H 1 3.809 0.009 . 1 . . 668 . . 75 THR HA . 25372 1 780 . 1 1 75 75 THR HB H 1 4.195 . . 1 . . 750 . . 75 THR HB . 25372 1 781 . 1 1 75 75 THR HG21 H 1 1.055 0.018 . 1 . . 669 . . 75 THR HG21 . 25372 1 782 . 1 1 75 75 THR HG22 H 1 1.055 0.018 . 1 . . 669 . . 75 THR HG22 . 25372 1 783 . 1 1 75 75 THR HG23 H 1 1.055 0.018 . 1 . . 669 . . 75 THR HG23 . 25372 1 784 . 1 1 75 75 THR C C 13 175.577 0.003 . 1 . . 359 . . 75 THR C . 25372 1 785 . 1 1 75 75 THR CA C 13 66.294 0.025 . 1 . . 360 . . 75 THR CA . 25372 1 786 . 1 1 75 75 THR CB C 13 68.989 0.013 . 1 . . 380 . . 75 THR CB . 25372 1 787 . 1 1 75 75 THR CG2 C 13 21.525 0.115 . 1 . . 425 . . 75 THR CG2 . 25372 1 788 . 1 1 75 75 THR N N 15 119.177 0.0 . 1 . . 139 . . 75 THR N . 25372 1 789 . 1 1 76 76 ARG H H 1 8.190 0.007 . 1 . . 108 . . 76 ARG H . 25372 1 790 . 1 1 76 76 ARG HA H 1 3.593 0.014 . 1 . . 617 . . 76 ARG HA . 25372 1 791 . 1 1 76 76 ARG HB2 H 1 2.101 0.013 . 1 . . 619 . . 76 ARG HB2 . 25372 1 792 . 1 1 76 76 ARG HG2 H 1 1.583 0.017 . 2 . . 620 . . 76 ARG HG2 . 25372 1 793 . 1 1 76 76 ARG HG3 H 1 1.281 0.01 . 2 . . 621 . . 76 ARG HG3 . 25372 1 794 . 1 1 76 76 ARG HD2 H 1 3.106 0.015 . 1 . . 618 . . 76 ARG HD2 . 25372 1 795 . 1 1 76 76 ARG C C 13 177.350 0.015 . 1 . . 319 . . 76 ARG C . 25372 1 796 . 1 1 76 76 ARG CA C 13 59.501 0.166 . 1 . . 318 . . 76 ARG CA . 25372 1 797 . 1 1 76 76 ARG CB C 13 29.089 0.079 . 1 . . 328 . . 76 ARG CB . 25372 1 798 . 1 1 76 76 ARG CG C 13 25.802 0.006 . 1 . . 440 . . 76 ARG CG . 25372 1 799 . 1 1 76 76 ARG CD C 13 43.306 0.121 . 1 . . 439 . . 76 ARG CD . 25372 1 800 . 1 1 76 76 ARG N N 15 122.864 0.0 . 1 . . 107 . . 76 ARG N . 25372 1 801 . 1 1 77 77 ASP H H 1 8.342 0.001 . 1 . . 114 . . 77 ASP H . 25372 1 802 . 1 1 77 77 ASP HA H 1 4.191 0.01 . 1 . . 531 . . 77 ASP HA . 25372 1 803 . 1 1 77 77 ASP HB2 H 1 2.597 0.026 . 2 . . 532 . . 77 ASP HB2 . 25372 1 804 . 1 1 77 77 ASP HB3 H 1 2.550 0.023 . 2 . . 533 . . 77 ASP HB3 . 25372 1 805 . 1 1 77 77 ASP C C 13 178.138 0.003 . 1 . . 396 . . 77 ASP C . 25372 1 806 . 1 1 77 77 ASP CA C 13 56.769 0.115 . 1 . . 395 . . 77 ASP CA . 25372 1 807 . 1 1 77 77 ASP CB C 13 40.013 0.097 . 1 . . 989 . . 77 ASP CB . 25372 1 808 . 1 1 77 77 ASP N N 15 119.328 0.0 . 1 . . 113 . . 77 ASP N . 25372 1 809 . 1 1 78 78 LYS H H 1 7.925 0.001 . 1 . . 44 . . 78 LYS H . 25372 1 810 . 1 1 78 78 LYS HA H 1 3.903 0.008 . 1 . . 520 . . 78 LYS HA . 25372 1 811 . 1 1 78 78 LYS HB2 H 1 1.809 0.03 . 2 . . 524 . . 78 LYS HB2 . 25372 1 812 . 1 1 78 78 LYS HB3 H 1 1.734 0.018 . 2 . . 525 . . 78 LYS HB3 . 25372 1 813 . 1 1 78 78 LYS HG2 H 1 1.249 0.01 . 2 . . 523 . . 78 LYS HG2 . 25372 1 814 . 1 1 78 78 LYS HG3 H 1 1.413 0.016 . 2 . . 752 . . 78 LYS HG3 . 25372 1 815 . 1 1 78 78 LYS HD2 H 1 1.514 0.02 . 1 . . 522 . . 78 LYS HD2 . 25372 1 816 . 1 1 78 78 LYS HE2 H 1 2.786 0.01 . 1 . . 521 . . 78 LYS HE2 . 25372 1 817 . 1 1 78 78 LYS C C 13 178.109 0.0 . 1 . . 175 . . 78 LYS C . 25372 1 818 . 1 1 78 78 LYS CA C 13 58.925 0.159 . 1 . . 174 . . 78 LYS CA . 25372 1 819 . 1 1 78 78 LYS CB C 13 32.674 0.115 . 1 . . 176 . . 78 LYS CB . 25372 1 820 . 1 1 78 78 LYS CG C 13 25.417 0.002 . 1 . . 177 . . 78 LYS CG . 25372 1 821 . 1 1 78 78 LYS CD C 13 29.556 0.115 . 1 . . 441 . . 78 LYS CD . 25372 1 822 . 1 1 78 78 LYS CE C 13 42.164 0.115 . 1 . . 442 . . 78 LYS CE . 25372 1 823 . 1 1 78 78 LYS N N 15 121.688 . . 1 . . 43 . . 78 LYS N . 25372 1 824 . 1 1 79 79 ARG H H 1 8.048 0.001 . 1 . . 14 . . 79 ARG H . 25372 1 825 . 1 1 79 79 ARG HA H 1 4.014 0.012 . 1 . . 692 . . 79 ARG HA . 25372 1 826 . 1 1 79 79 ARG HB2 H 1 1.743 0.012 . 1 . . 695 . . 79 ARG HB2 . 25372 1 827 . 1 1 79 79 ARG HG2 H 1 1.620 0.022 . 2 . . 696 . . 79 ARG HG2 . 25372 1 828 . 1 1 79 79 ARG HG3 H 1 1.546 0.017 . 2 . . 697 . . 79 ARG HG3 . 25372 1 829 . 1 1 79 79 ARG HD2 H 1 3.083 0.014 . 2 . . 693 . . 79 ARG HD2 . 25372 1 830 . 1 1 79 79 ARG HD3 H 1 3.015 0.015 . 2 . . 694 . . 79 ARG HD3 . 25372 1 831 . 1 1 79 79 ARG C C 13 178.492 0.004 . 1 . . 179 . . 79 ARG C . 25372 1 832 . 1 1 79 79 ARG CA C 13 57.019 0.149 . 1 . . 180 . . 79 ARG CA . 25372 1 833 . 1 1 79 79 ARG CB C 13 29.410 0.124 . 1 . . 178 . . 79 ARG CB . 25372 1 834 . 1 1 79 79 ARG CG C 13 26.919 0.014 . 1 . . 428 . . 79 ARG CG . 25372 1 835 . 1 1 79 79 ARG CD C 13 42.340 0.016 . 1 . . 427 . . 79 ARG CD . 25372 1 836 . 1 1 79 79 ARG N N 15 118.832 0.0 . 1 . . 13 . . 79 ARG N . 25372 1 837 . 1 1 80 80 LYS H H 1 8.242 0.01 . 1 . . 54 . . 80 LYS H . 25372 1 838 . 1 1 80 80 LYS HA H 1 3.905 0.006 . 1 . . 487 . . 80 LYS HA . 25372 1 839 . 1 1 80 80 LYS HB2 H 1 1.780 0.006 . 2 . . 489 . . 80 LYS HB2 . 25372 1 840 . 1 1 80 80 LYS HB3 H 1 1.689 0.013 . 2 . . 490 . . 80 LYS HB3 . 25372 1 841 . 1 1 80 80 LYS HG2 H 1 1.351 . . 2 . . 492 . . 80 LYS HG2 . 25372 1 842 . 1 1 80 80 LYS HG3 H 1 1.304 . . 2 . . 493 . . 80 LYS HG3 . 25372 1 843 . 1 1 80 80 LYS HD2 H 1 1.518 . . 1 . . 491 . . 80 LYS HD2 . 25372 1 844 . 1 1 80 80 LYS HE2 H 1 2.795 . . 1 . . 488 . . 80 LYS HE2 . 25372 1 845 . 1 1 80 80 LYS C C 13 178.015 0.004 . 1 . . 398 . . 80 LYS C . 25372 1 846 . 1 1 80 80 LYS CA C 13 58.209 0.171 . 1 . . 397 . . 80 LYS CA . 25372 1 847 . 1 1 80 80 LYS CB C 13 32.640 0.111 . 1 . . 246 . . 80 LYS CB . 25372 1 848 . 1 1 80 80 LYS CD C 13 29.588 . . 1 . . 753 . . 80 LYS CD . 25372 1 849 . 1 1 80 80 LYS N N 15 120.630 . . 1 . . 53 . . 80 LYS N . 25372 1 850 . 1 1 81 81 ARG H H 1 7.817 0.002 . 1 . . 148 . . 81 ARG H . 25372 1 851 . 1 1 81 81 ARG HA H 1 4.055 0.013 . 1 . . 594 . . 81 ARG HA . 25372 1 852 . 1 1 81 81 ARG HB2 H 1 1.730 0.012 . 1 . . 596 . . 81 ARG HB2 . 25372 1 853 . 1 1 81 81 ARG HG2 H 1 1.582 0.017 . 2 . . 597 . . 81 ARG HG2 . 25372 1 854 . 1 1 81 81 ARG HG3 H 1 1.500 0.014 . 2 . . 598 . . 81 ARG HG3 . 25372 1 855 . 1 1 81 81 ARG HD2 H 1 3.049 0.015 . 1 . . 595 . . 81 ARG HD2 . 25372 1 856 . 1 1 81 81 ARG C C 13 177.657 0.006 . 1 . . 368 . . 81 ARG C . 25372 1 857 . 1 1 81 81 ARG CA C 13 57.602 0.133 . 1 . . 189 . . 81 ARG CA . 25372 1 858 . 1 1 81 81 ARG CB C 13 30.504 0.1 . 1 . . 188 . . 81 ARG CB . 25372 1 859 . 1 1 81 81 ARG CG C 13 27.471 0.094 . 1 . . 436 . . 81 ARG CG . 25372 1 860 . 1 1 81 81 ARG CD C 13 43.518 0.115 . 1 . . 435 . . 81 ARG CD . 25372 1 861 . 1 1 81 81 ARG N N 15 119.967 0.0 . 1 . . 147 . . 81 ARG N . 25372 1 862 . 1 1 82 82 GLU H H 1 7.977 0.005 . 1 . . 20 . . 82 GLU H . 25372 1 863 . 1 1 82 82 GLU HA H 1 4.066 0.013 . 1 . . 677 . . 82 GLU HA . 25372 1 864 . 1 1 82 82 GLU HB2 H 1 1.884 0.014 . 1 . . 680 . . 82 GLU HB2 . 25372 1 865 . 1 1 82 82 GLU HG2 H 1 2.249 0.012 . 2 . . 678 . . 82 GLU HG2 . 25372 1 866 . 1 1 82 82 GLU HG3 H 1 2.110 0.012 . 2 . . 679 . . 82 GLU HG3 . 25372 1 867 . 1 1 82 82 GLU C C 13 177.132 0.002 . 1 . . 191 . . 82 GLU C . 25372 1 868 . 1 1 82 82 GLU CA C 13 57.056 0.011 . 1 . . 192 . . 82 GLU CA . 25372 1 869 . 1 1 82 82 GLU CB C 13 30.166 0.092 . 1 . . 190 . . 82 GLU CB . 25372 1 870 . 1 1 82 82 GLU CG C 13 36.329 0.072 . 1 . . 452 . . 82 GLU CG . 25372 1 871 . 1 1 82 82 GLU N N 15 119.475 0.0 . 1 . . 19 . . 82 GLU N . 25372 1 872 . 1 1 83 83 SER H H 1 7.877 0.009 . 1 . . 58 . . 83 SER H . 25372 1 873 . 1 1 83 83 SER HA H 1 4.301 0.012 . 1 . . 575 . . 83 SER HA . 25372 1 874 . 1 1 83 83 SER HB2 H 1 3.769 0.035 . 1 . . 754 . . 83 SER HB2 . 25372 1 875 . 1 1 83 83 SER C C 13 174.683 0.002 . 1 . . 250 . . 83 SER C . 25372 1 876 . 1 1 83 83 SER CA C 13 58.790 0.004 . 1 . . 990 . . 83 SER CA . 25372 1 877 . 1 1 83 83 SER CB C 13 63.894 0.092 . 1 . . 249 . . 83 SER CB . 25372 1 878 . 1 1 83 83 SER N N 15 115.505 0.0 . 1 . . 57 . . 83 SER N . 25372 1 879 . 1 1 84 84 VAL H H 1 7.815 0.006 . 1 . . 88 . . 84 VAL H . 25372 1 880 . 1 1 84 84 VAL HA H 1 4.017 0.014 . 1 . . 534 . . 84 VAL HA . 25372 1 881 . 1 1 84 84 VAL HB H 1 2.000 0.015 . 1 . . 535 . . 84 VAL HB . 25372 1 882 . 1 1 84 84 VAL HG11 H 1 0.794 0.013 . 1 . . 536 . . 84 VAL HG11 . 25372 1 883 . 1 1 84 84 VAL HG12 H 1 0.794 0.013 . 1 . . 536 . . 84 VAL HG12 . 25372 1 884 . 1 1 84 84 VAL HG13 H 1 0.794 0.013 . 1 . . 536 . . 84 VAL HG13 . 25372 1 885 . 1 1 84 84 VAL HG21 H 1 0.794 0.006 . 1 . . 800 . . 84 VAL HG21 . 25372 1 886 . 1 1 84 84 VAL HG22 H 1 0.794 0.006 . 1 . . 800 . . 84 VAL HG22 . 25372 1 887 . 1 1 84 84 VAL HG23 H 1 0.794 0.006 . 1 . . 800 . . 84 VAL HG23 . 25372 1 888 . 1 1 84 84 VAL C C 13 176.751 0.0 . 1 . . 283 . . 84 VAL C . 25372 1 889 . 1 1 84 84 VAL CA C 13 62.580 0.026 . 1 . . 284 . . 84 VAL CA . 25372 1 890 . 1 1 84 84 VAL CB C 13 32.666 0.056 . 1 . . 282 . . 84 VAL CB . 25372 1 891 . 1 1 84 84 VAL CG1 C 13 21.130 0.075 . 1 . . 285 . . 84 VAL CG1 . 25372 1 892 . 1 1 84 84 VAL CG2 C 13 20.519 0.057 . 1 . . 286 . . 84 VAL CG2 . 25372 1 893 . 1 1 84 84 VAL N N 15 120.881 0.097 . 1 . . 87 . . 84 VAL N . 25372 1 894 . 1 1 85 85 GLY H H 1 8.249 0.001 . 1 . . 86 . . 85 GLY H . 25372 1 895 . 1 1 85 85 GLY HA2 H 1 3.788 . . 2 . . 592 . . 85 GLY HA2 . 25372 1 896 . 1 1 85 85 GLY HA3 H 1 3.823 . . 2 . . 593 . . 85 GLY HA3 . 25372 1 897 . 1 1 85 85 GLY C C 13 173.386 0.008 . 1 . . 168 . . 85 GLY C . 25372 1 898 . 1 1 85 85 GLY CA C 13 45.207 0.047 . 1 . . 287 . . 85 GLY CA . 25372 1 899 . 1 1 85 85 GLY N N 15 112.515 0.0 . 1 . . 85 . . 85 GLY N . 25372 1 900 . 1 1 86 86 SER H H 1 7.758 0.004 . 1 . . 10 . . 86 SER H . 25372 1 901 . 1 1 86 86 SER C C 13 178.716 . . 1 . . 170 . . 86 SER C . 25372 1 902 . 1 1 86 86 SER CA C 13 59.743 . . 1 . . 169 . . 86 SER CA . 25372 1 903 . 1 1 86 86 SER CB C 13 65.100 . . 1 . . 383 . . 86 SER CB . 25372 1 904 . 1 1 86 86 SER N N 15 121.350 0.012 . 1 . . 9 . . 86 SER N . 25372 1 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 25372 _Assigned_chem_shift_list.ID 2 _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 4 '3D 1H-13C NOESY' 2 $CG_KIX_13C15N isotropic 25372 2 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 4 $CcpNmr_Analysis . . 25372 2 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 1 1 MET HA H 1 4.355 0.0 . 1 . . 700 . . 1 MET HA . 25372 2 2 . 1 1 1 1 MET HB2 H 1 1.820 . . 2 . . 914 . . 1 MET HB2 . 25372 2 3 . 1 1 1 1 MET HB3 H 1 1.912 . . 2 . . 915 . . 1 MET HB3 . 25372 2 4 . 1 1 1 1 MET HG2 H 1 2.387 . . 2 . . 701 . . 1 MET HG2 . 25372 2 5 . 1 1 1 1 MET HG3 H 1 2.338 . . 2 . . 702 . . 1 MET HG3 . 25372 2 6 . 1 1 1 1 MET CA C 13 55.585 0.0 . 1 . . 341 . . 1 MET CA . 25372 2 7 . 1 1 2 2 SER HA H 1 4.446 . . 1 . . 652 . . 2 SER HA . 25372 2 8 . 1 1 2 2 SER HB2 H 1 3.803 0.0 . 2 . . 653 . . 2 SER HB2 . 25372 2 9 . 1 1 2 2 SER HB3 H 1 3.732 0.001 . 2 . . 654 . . 2 SER HB3 . 25372 2 10 . 1 1 2 2 SER CA C 13 58.050 0.0 . 1 . . 252 . . 2 SER CA . 25372 2 11 . 1 1 2 2 SER CB C 13 63.948 . . 1 . . 253 . . 2 SER CB . 25372 2 12 . 1 1 3 3 SER HA H 1 4.334 0.001 . 1 . . 676 . . 3 SER HA . 25372 2 13 . 1 1 3 3 SER CA C 13 58.890 . . 1 . . 255 . . 3 SER CA . 25372 2 14 . 1 1 4 4 LYS HA H 1 3.754 0.0 . 1 . . 599 . . 4 LYS HA . 25372 2 15 . 1 1 4 4 LYS HB2 H 1 1.390 0.001 . 2 . . 600 . . 4 LYS HB2 . 25372 2 16 . 1 1 4 4 LYS HB3 H 1 1.210 0.002 . 2 . . 601 . . 4 LYS HB3 . 25372 2 17 . 1 1 4 4 LYS HG2 H 1 0.843 0.002 . 2 . . 704 . . 4 LYS HG2 . 25372 2 18 . 1 1 4 4 LYS HG3 H 1 0.843 . . 2 . . 950 . . 4 LYS HG3 . 25372 2 19 . 1 1 4 4 LYS HD2 H 1 0.953 0.001 . 2 . . 602 . . 4 LYS HD2 . 25372 2 20 . 1 1 4 4 LYS HD3 H 1 0.952 . . 2 . . 949 . . 4 LYS HD3 . 25372 2 21 . 1 1 4 4 LYS HE2 H 1 2.244 0.0 . 2 . . 603 . . 4 LYS HE2 . 25372 2 22 . 1 1 4 4 LYS HE3 H 1 2.411 0.002 . 2 . . 710 . . 4 LYS HE3 . 25372 2 23 . 1 1 4 4 LYS CA C 13 58.560 . . 1 . . 430 . . 4 LYS CA . 25372 2 24 . 1 1 4 4 LYS CB C 13 31.683 0.0 . 1 . . 387 . . 4 LYS CB . 25372 2 25 . 1 1 4 4 LYS CG C 13 24.490 0.0 . 1 . . 916 . . 4 LYS CG . 25372 2 26 . 1 1 4 4 LYS CD C 13 28.833 . . 1 . . 431 . . 4 LYS CD . 25372 2 27 . 1 1 5 5 GLU HA H 1 4.115 0.001 . 1 . . 610 . . 5 GLU HA . 25372 2 28 . 1 1 5 5 GLU HB2 H 1 1.983 0.0 . 2 . . 612 . . 5 GLU HB2 . 25372 2 29 . 1 1 5 5 GLU HB3 H 1 1.814 0.001 . 2 . . 613 . . 5 GLU HB3 . 25372 2 30 . 1 1 5 5 GLU HG2 H 1 2.134 0.002 . 2 . . 611 . . 5 GLU HG2 . 25372 2 31 . 1 1 5 5 GLU HG3 H 1 2.134 . . 2 . . 951 . . 5 GLU HG3 . 25372 2 32 . 1 1 5 5 GLU CA C 13 57.723 . . 1 . . 183 . . 5 GLU CA . 25372 2 33 . 1 1 5 5 GLU CB C 13 29.405 0.006 . 1 . . 181 . . 5 GLU CB . 25372 2 34 . 1 1 5 5 GLU CG C 13 36.605 . . 1 . . 275 . . 5 GLU CG . 25372 2 35 . 1 1 6 6 THR HA H 1 4.192 0.001 . 1 . . 717 . . 6 THR HA . 25372 2 36 . 1 1 6 6 THR HG21 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG21 . 25372 2 37 . 1 1 6 6 THR HG22 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG22 . 25372 2 38 . 1 1 6 6 THR HG23 H 1 1.063 0.001 . 1 . . 576 . . 6 THR HG23 . 25372 2 39 . 1 1 6 6 THR CA C 13 69.661 . . 1 . . 277 . . 6 THR CA . 25372 2 40 . 1 1 6 6 THR CB C 13 69.661 . . 1 . . 716 . . 6 THR CB . 25372 2 41 . 1 1 7 7 ILE HA H 1 4.038 0.002 . 1 . . 780 . . 7 ILE HA . 25372 2 42 . 1 1 7 7 ILE HB H 1 1.653 0.005 . 1 . . 781 . . 7 ILE HB . 25372 2 43 . 1 1 7 7 ILE HG12 H 1 1.382 0.002 . 2 . . 782 . . 7 ILE HG12 . 25372 2 44 . 1 1 7 7 ILE HG13 H 1 0.814 0.001 . 2 . . 931 . . 7 ILE HG13 . 25372 2 45 . 1 1 7 7 ILE HD11 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD11 . 25372 2 46 . 1 1 7 7 ILE HD12 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD12 . 25372 2 47 . 1 1 7 7 ILE HD13 H 1 0.629 0.001 . 1 . . 778 . . 7 ILE HD13 . 25372 2 48 . 1 1 7 7 ILE CA C 13 59.333 0.004 . 1 . . 371 . . 7 ILE CA . 25372 2 49 . 1 1 7 7 ILE CB C 13 38.956 0.0 . 1 . . 392 . . 7 ILE CB . 25372 2 50 . 1 1 7 7 ILE CD1 C 13 16.890 . . 1 . . 918 . . 7 ILE CD1 . 25372 2 51 . 1 1 8 8 PRO HA H 1 4.308 0.0 . 1 . . 648 . . 8 PRO HA . 25372 2 52 . 1 1 8 8 PRO HB2 H 1 2.208 0.001 . 2 . . 649 . . 8 PRO HB2 . 25372 2 53 . 1 1 8 8 PRO HB3 H 1 1.469 0.002 . 2 . . 890 . . 8 PRO HB3 . 25372 2 54 . 1 1 8 8 PRO HG2 H 1 1.678 0.002 . 2 . . 650 . . 8 PRO HG2 . 25372 2 55 . 1 1 8 8 PRO HG3 H 1 1.886 0.001 . 2 . . 901 . . 8 PRO HG3 . 25372 2 56 . 1 1 8 8 PRO HD2 H 1 3.954 0.001 . 2 . . 651 . . 8 PRO HD2 . 25372 2 57 . 1 1 8 8 PRO HD3 H 1 3.544 0.001 . 2 . . 718 . . 8 PRO HD3 . 25372 2 58 . 1 1 8 8 PRO CA C 13 62.321 . . 1 . . 374 . . 8 PRO CA . 25372 2 59 . 1 1 8 8 PRO CB C 13 32.515 0.044 . 1 . . 375 . . 8 PRO CB . 25372 2 60 . 1 1 8 8 PRO CG C 13 27.757 0.047 . 1 . . 376 . . 8 PRO CG . 25372 2 61 . 1 1 8 8 PRO CD C 13 51.017 0.0 . 1 . . 944 . . 8 PRO CD . 25372 2 62 . 1 1 10 10 HIS HA H 1 4.223 0.001 . 1 . . 509 . . 10 HIS HA . 25372 2 63 . 1 1 10 10 HIS HB2 H 1 2.894 0.0 . 2 . . 510 . . 10 HIS HB2 . 25372 2 64 . 1 1 10 10 HIS HB3 H 1 3.053 0.0 . 2 . . 719 . . 10 HIS HB3 . 25372 2 65 . 1 1 10 10 HIS HD1 H 1 6.894 0.001 . 1 . . 891 . . 10 HIS HD1 . 25372 2 66 . 1 1 10 10 HIS CA C 13 59.140 0.0 . 1 . . 450 . . 10 HIS CA . 25372 2 67 . 1 1 11 11 GLN HA H 1 3.957 0.001 . 1 . . 546 . . 11 GLN HA . 25372 2 68 . 1 1 11 11 GLN HB2 H 1 1.853 0.0 . 2 . . 900 . . 11 GLN HB2 . 25372 2 69 . 1 1 11 11 GLN HB3 H 1 1.919 0.027 . 2 . . 932 . . 11 GLN HB3 . 25372 2 70 . 1 1 11 11 GLN HG2 H 1 2.224 0.003 . 2 . . 547 . . 11 GLN HG2 . 25372 2 71 . 1 1 11 11 GLN HG3 H 1 2.173 0.023 . 2 . . 548 . . 11 GLN HG3 . 25372 2 72 . 1 1 11 11 GLN CA C 13 57.879 . . 1 . . 393 . . 11 GLN CA . 25372 2 73 . 1 1 11 11 GLN CB C 13 28.626 0.01 . 1 . . 948 . . 11 GLN CB . 25372 2 74 . 1 1 11 11 GLN CG C 13 33.576 . . 1 . . 713 . . 11 GLN CG . 25372 2 75 . 1 1 12 12 ARG HA H 1 3.966 0.005 . 1 . . 511 . . 12 ARG HA . 25372 2 76 . 1 1 12 12 ARG HB2 H 1 1.798 0.003 . 2 . . 722 . . 12 ARG HB2 . 25372 2 77 . 1 1 12 12 ARG HB3 H 1 1.704 0.004 . 2 . . 723 . . 12 ARG HB3 . 25372 2 78 . 1 1 12 12 ARG HG2 H 1 1.203 0.002 . 2 . . 513 . . 12 ARG HG2 . 25372 2 79 . 1 1 12 12 ARG HG3 H 1 1.461 0.001 . 2 . . 720 . . 12 ARG HG3 . 25372 2 80 . 1 1 12 12 ARG HD2 H 1 2.488 0.003 . 2 . . 512 . . 12 ARG HD2 . 25372 2 81 . 1 1 12 12 ARG HD3 H 1 2.127 0.002 . 2 . . 721 . . 12 ARG HD3 . 25372 2 82 . 1 1 12 12 ARG CA C 13 60.690 0.002 . 1 . . 416 . . 12 ARG CA . 25372 2 83 . 1 1 12 12 ARG CB C 13 29.455 0.0 . 1 . . 263 . . 12 ARG CB . 25372 2 84 . 1 1 12 12 ARG CG C 13 26.320 0.0 . 1 . . 417 . . 12 ARG CG . 25372 2 85 . 1 1 12 12 ARG CD C 13 42.546 0.0 . 1 . . 334 . . 12 ARG CD . 25372 2 86 . 1 1 13 13 SER HA H 1 3.948 0.002 . 1 . . 930 . . 13 SER HA . 25372 2 87 . 1 1 13 13 SER HB2 H 1 3.731 0.001 . 2 . . 556 . . 13 SER HB2 . 25372 2 88 . 1 1 13 13 SER HB3 H 1 3.731 . . 2 . . 952 . . 13 SER HB3 . 25372 2 89 . 1 1 13 13 SER CA C 13 61.484 0.113 . 1 . . 320 . . 13 SER CA . 25372 2 90 . 1 1 13 13 SER CB C 13 62.516 . . 1 . . 321 . . 13 SER CB . 25372 2 91 . 1 1 14 14 GLN HA H 1 3.965 0.001 . 1 . . 933 . . 14 GLN HA . 25372 2 92 . 1 1 14 14 GLN HB2 H 1 1.980 0.001 . 2 . . 934 . . 14 GLN HB2 . 25372 2 93 . 1 1 14 14 GLN HB3 H 1 2.087 0.001 . 2 . . 935 . . 14 GLN HB3 . 25372 2 94 . 1 1 14 14 GLN HG2 H 1 2.221 0.001 . 2 . . 936 . . 14 GLN HG2 . 25372 2 95 . 1 1 14 14 GLN HG3 H 1 2.283 0.0 . 2 . . 937 . . 14 GLN HG3 . 25372 2 96 . 1 1 14 14 GLN CA C 13 58.663 0.0 . 1 . . 322 . . 14 GLN CA . 25372 2 97 . 1 1 14 14 GLN CB C 13 28.195 . . 1 . . 388 . . 14 GLN CB . 25372 2 98 . 1 1 15 15 ASN HA H 1 4.391 0.002 . 1 . . 892 . . 15 ASN HA . 25372 2 99 . 1 1 15 15 ASN HB2 H 1 2.670 0.002 . 2 . . 893 . . 15 ASN HB2 . 25372 2 100 . 1 1 15 15 ASN HB3 H 1 3.171 0.002 . 2 . . 923 . . 15 ASN HB3 . 25372 2 101 . 1 1 15 15 ASN CA C 13 55.849 0.007 . 1 . . 354 . . 15 ASN CA . 25372 2 102 . 1 1 15 15 ASN CB C 13 37.624 0.0 . 1 . . 355 . . 15 ASN CB . 25372 2 103 . 1 1 16 16 VAL HA H 1 3.215 0.0 . 1 . . 844 . . 16 VAL HA . 25372 2 104 . 1 1 16 16 VAL HB H 1 2.052 0.001 . 1 . . 843 . . 16 VAL HB . 25372 2 105 . 1 1 16 16 VAL HG11 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG11 . 25372 2 106 . 1 1 16 16 VAL HG12 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG12 . 25372 2 107 . 1 1 16 16 VAL HG13 H 1 0.722 0.0 . 1 . . 840 . . 16 VAL HG13 . 25372 2 108 . 1 1 16 16 VAL HG21 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG21 . 25372 2 109 . 1 1 16 16 VAL HG22 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG22 . 25372 2 110 . 1 1 16 16 VAL HG23 H 1 0.995 0.001 . 1 . . 841 . . 16 VAL HG23 . 25372 2 111 . 1 1 16 16 VAL CA C 13 67.753 . . 1 . . 881 . . 16 VAL CA . 25372 2 112 . 1 1 16 16 VAL CG1 C 13 21.571 0.002 . 1 . . 895 . . 16 VAL CG1 . 25372 2 113 . 1 1 16 16 VAL CG2 C 13 23.579 0.008 . 1 . . 842 . . 16 VAL CG2 . 25372 2 114 . 1 1 17 17 ALA HA H 1 3.890 0.001 . 1 . . 545 . . 17 ALA HA . 25372 2 115 . 1 1 17 17 ALA HB1 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB1 . 25372 2 116 . 1 1 17 17 ALA HB2 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB2 . 25372 2 117 . 1 1 17 17 ALA HB3 H 1 1.339 0.001 . 1 . . 544 . . 17 ALA HB3 . 25372 2 118 . 1 1 17 17 ALA CA C 13 55.259 0.076 . 1 . . 987 . . 17 ALA CA . 25372 2 119 . 1 1 18 18 GLU HA H 1 3.895 0.001 . 1 . . 939 . . 18 GLU HA . 25372 2 120 . 1 1 18 18 GLU HB2 H 1 2.022 0.0 . 2 . . 850 . . 18 GLU HB2 . 25372 2 121 . 1 1 18 18 GLU HB3 H 1 1.895 . . 2 . . 851 . . 18 GLU HB3 . 25372 2 122 . 1 1 18 18 GLU HG2 H 1 2.300 . . 2 . . 848 . . 18 GLU HG2 . 25372 2 123 . 1 1 18 18 GLU HG3 H 1 2.108 . . 2 . . 849 . . 18 GLU HG3 . 25372 2 124 . 1 1 18 18 GLU CA C 13 59.689 0.006 . 1 . . 332 . . 18 GLU CA . 25372 2 125 . 1 1 19 19 LEU HA H 1 3.830 0.0 . 1 . . 657 . . 19 LEU HA . 25372 2 126 . 1 1 19 19 LEU HB2 H 1 1.647 0.003 . 2 . . 658 . . 19 LEU HB2 . 25372 2 127 . 1 1 19 19 LEU HB3 H 1 1.475 0.003 . 2 . . 659 . . 19 LEU HB3 . 25372 2 128 . 1 1 19 19 LEU HG H 1 1.415 . . 1 . . 724 . . 19 LEU HG . 25372 2 129 . 1 1 19 19 LEU HD11 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD11 . 25372 2 130 . 1 1 19 19 LEU HD12 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD12 . 25372 2 131 . 1 1 19 19 LEU HD13 H 1 0.631 0.001 . 1 . . 928 . . 19 LEU HD13 . 25372 2 132 . 1 1 19 19 LEU HD21 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD21 . 25372 2 133 . 1 1 19 19 LEU HD22 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD22 . 25372 2 134 . 1 1 19 19 LEU HD23 H 1 0.619 0.004 . 1 . . 660 . . 19 LEU HD23 . 25372 2 135 . 1 1 19 19 LEU CA C 13 57.979 0.0 . 1 . . 242 . . 19 LEU CA . 25372 2 136 . 1 1 19 19 LEU CB C 13 41.837 0.003 . 1 . . 244 . . 19 LEU CB . 25372 2 137 . 1 1 19 19 LEU CD1 C 13 24.120 0.011 . 1 . . 929 . . 19 LEU CD1 . 25372 2 138 . 1 1 19 19 LEU CD2 C 13 26.414 . . 1 . . 420 . . 19 LEU CD2 . 25372 2 139 . 1 1 20 20 LEU HA H 1 3.754 0.001 . 1 . . 540 . . 20 LEU HA . 25372 2 140 . 1 1 20 20 LEU HB2 H 1 1.281 0.000 . 2 . . 541 . . 20 LEU HB2 . 25372 2 141 . 1 1 20 20 LEU HB3 H 1 1.865 0.0 . 2 . . 725 . . 20 LEU HB3 . 25372 2 142 . 1 1 20 20 LEU HG H 1 1.499 . . 1 . . 542 . . 20 LEU HG . 25372 2 143 . 1 1 20 20 LEU HD11 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD11 . 25372 2 144 . 1 1 20 20 LEU HD12 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD12 . 25372 2 145 . 1 1 20 20 LEU HD13 H 1 0.708 0.0 . 1 . . 896 . . 20 LEU HD13 . 25372 2 146 . 1 1 20 20 LEU HD21 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD21 . 25372 2 147 . 1 1 20 20 LEU HD22 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD22 . 25372 2 148 . 1 1 20 20 LEU HD23 H 1 0.760 0.001 . 1 . . 543 . . 20 LEU HD23 . 25372 2 149 . 1 1 20 20 LEU CA C 13 58.347 0.015 . 1 . . 405 . . 20 LEU CA . 25372 2 150 . 1 1 20 20 LEU CB C 13 41.713 0.005 . 1 . . 293 . . 20 LEU CB . 25372 2 151 . 1 1 20 20 LEU CD1 C 13 24.026 0.004 . 1 . . 294 . . 20 LEU CD1 . 25372 2 152 . 1 1 20 20 LEU CD2 C 13 25.912 0.034 . 1 . . 292 . . 20 LEU CD2 . 25372 2 153 . 1 1 21 21 THR HA H 1 3.690 0.002 . 1 . . 503 . . 21 THR HA . 25372 2 154 . 1 1 21 21 THR HB H 1 4.120 0.0 . 1 . . 728 . . 21 THR HB . 25372 2 155 . 1 1 21 21 THR HG21 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG21 . 25372 2 156 . 1 1 21 21 THR HG22 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG22 . 25372 2 157 . 1 1 21 21 THR HG23 H 1 1.112 0.001 . 1 . . 504 . . 21 THR HG23 . 25372 2 158 . 1 1 21 21 THR CA C 13 66.923 0.006 . 1 . . 297 . . 21 THR CA . 25372 2 159 . 1 1 22 22 VAL HA H 1 3.745 0.001 . 1 . . 691 . . 22 VAL HA . 25372 2 160 . 1 1 22 22 VAL HB H 1 2.001 0.005 . 1 . . 690 . . 22 VAL HB . 25372 2 161 . 1 1 22 22 VAL HG11 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG11 . 25372 2 162 . 1 1 22 22 VAL HG12 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG12 . 25372 2 163 . 1 1 22 22 VAL HG13 H 1 0.790 0.001 . 1 . . 688 . . 22 VAL HG13 . 25372 2 164 . 1 1 22 22 VAL HG21 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG21 . 25372 2 165 . 1 1 22 22 VAL HG22 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG22 . 25372 2 166 . 1 1 22 22 VAL HG23 H 1 0.925 0.001 . 1 . . 689 . . 22 VAL HG23 . 25372 2 167 . 1 1 22 22 VAL CA C 13 65.985 0.0 . 1 . . 298 . . 22 VAL CA . 25372 2 168 . 1 1 22 22 VAL CB C 13 31.820 . . 1 . . 350 . . 22 VAL CB . 25372 2 169 . 1 1 22 22 VAL CG1 C 13 22.496 0.002 . 1 . . 448 . . 22 VAL CG1 . 25372 2 170 . 1 1 22 22 VAL CG2 C 13 22.654 . . 1 . . 897 . . 22 VAL CG2 . 25372 2 171 . 1 1 23 23 LEU HA H 1 3.764 0.02 . 1 . . 624 . . 23 LEU HA . 25372 2 172 . 1 1 23 23 LEU HB2 H 1 1.840 0.011 . 2 . . 625 . . 23 LEU HB2 . 25372 2 173 . 1 1 23 23 LEU HB3 H 1 1.479 0.001 . 2 . . 729 . . 23 LEU HB3 . 25372 2 174 . 1 1 23 23 LEU HG H 1 1.683 0.018 . 1 . . 898 . . 23 LEU HG . 25372 2 175 . 1 1 23 23 LEU HD11 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD11 . 25372 2 176 . 1 1 23 23 LEU HD12 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD12 . 25372 2 177 . 1 1 23 23 LEU HD13 H 1 0.702 0.0 . 1 . . 925 . . 23 LEU HD13 . 25372 2 178 . 1 1 23 23 LEU HD21 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD21 . 25372 2 179 . 1 1 23 23 LEU HD22 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD22 . 25372 2 180 . 1 1 23 23 LEU HD23 H 1 0.685 0.0 . 1 . . 626 . . 23 LEU HD23 . 25372 2 181 . 1 1 23 23 LEU CA C 13 58.064 . . 1 . . 207 . . 23 LEU CA . 25372 2 182 . 1 1 23 23 LEU CB C 13 41.458 0.008 . 1 . . 205 . . 23 LEU CB . 25372 2 183 . 1 1 23 23 LEU CD1 C 13 26.414 . . 1 . . 926 . . 23 LEU CD1 . 25372 2 184 . 1 1 23 23 LEU CD2 C 13 22.772 . . 1 . . 927 . . 23 LEU CD2 . 25372 2 185 . 1 1 24 24 MET HB2 H 1 1.894 0.002 . 2 . . 730 . . 24 MET HB2 . 25372 2 186 . 1 1 24 24 MET HB3 H 1 2.129 0.001 . 2 . . 731 . . 24 MET HB3 . 25372 2 187 . 1 1 24 24 MET HG2 H 1 2.615 0.001 . 2 . . 682 . . 24 MET HG2 . 25372 2 188 . 1 1 24 24 MET HG3 H 1 2.446 0.002 . 2 . . 683 . . 24 MET HG3 . 25372 2 189 . 1 1 24 24 MET CB C 13 31.471 . . 1 . . 208 . . 24 MET CB . 25372 2 190 . 1 1 25 25 ASP HA H 1 4.356 0.001 . 1 . . 627 . . 25 ASP HA . 25372 2 191 . 1 1 25 25 ASP HB2 H 1 2.823 0.001 . 2 . . 628 . . 25 ASP HB2 . 25372 2 192 . 1 1 25 25 ASP HB3 H 1 2.438 0.0 . 2 . . 629 . . 25 ASP HB3 . 25372 2 193 . 1 1 25 25 ASP CA C 13 57.360 0.0 . 1 . . 311 . . 25 ASP CA . 25372 2 194 . 1 1 25 25 ASP CB C 13 41.147 0.0 . 1 . . 310 . . 25 ASP CB . 25372 2 195 . 1 1 26 26 ILE HA H 1 3.409 0.003 . 1 . . 501 . . 26 ILE HA . 25372 2 196 . 1 1 26 26 ILE HB H 1 1.796 0.002 . 1 . . 733 . . 26 ILE HB . 25372 2 197 . 1 1 26 26 ILE HG12 H 1 1.647 0.001 . 2 . . 734 . . 26 ILE HG12 . 25372 2 198 . 1 1 26 26 ILE HG13 H 1 1.648 . . 2 . . 953 . . 26 ILE HG13 . 25372 2 199 . 1 1 26 26 ILE HG21 H 1 0.702 . . 1 . . 502 . . 26 ILE HG21 . 25372 2 200 . 1 1 26 26 ILE HG22 H 1 0.702 . . 1 . . 502 . . 26 ILE HG22 . 25372 2 201 . 1 1 26 26 ILE HG23 H 1 0.702 . . 1 . . 502 . . 26 ILE HG23 . 25372 2 202 . 1 1 26 26 ILE HD11 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD11 . 25372 2 203 . 1 1 26 26 ILE HD12 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD12 . 25372 2 204 . 1 1 26 26 ILE HD13 H 1 0.722 0.005 . 1 . . 917 . . 26 ILE HD13 . 25372 2 205 . 1 1 26 26 ILE CA C 13 65.563 . . 1 . . 211 . . 26 ILE CA . 25372 2 206 . 1 1 26 26 ILE CG2 C 13 17.421 . . 1 . . 735 . . 26 ILE CG2 . 25372 2 207 . 1 1 26 26 ILE CD1 C 13 13.976 0.006 . 1 . . 446 . . 26 ILE CD1 . 25372 2 208 . 1 1 29 29 ILE HA H 1 3.669 0.0 . 1 . . 514 . . 29 ILE HA . 25372 2 209 . 1 1 29 29 ILE HB H 1 1.729 0.002 . 1 . . 515 . . 29 ILE HB . 25372 2 210 . 1 1 29 29 ILE HG12 H 1 1.524 0.0 . 2 . . 736 . . 29 ILE HG12 . 25372 2 211 . 1 1 29 29 ILE HG13 H 1 0.953 0.002 . 2 . . 737 . . 29 ILE HG13 . 25372 2 212 . 1 1 29 29 ILE HG21 H 1 0.703 . . 1 . . 517 . . 29 ILE HG21 . 25372 2 213 . 1 1 29 29 ILE HG22 H 1 0.703 . . 1 . . 517 . . 29 ILE HG22 . 25372 2 214 . 1 1 29 29 ILE HG23 H 1 0.703 . . 1 . . 517 . . 29 ILE HG23 . 25372 2 215 . 1 1 29 29 ILE HD11 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD11 . 25372 2 216 . 1 1 29 29 ILE HD12 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD12 . 25372 2 217 . 1 1 29 29 ILE HD13 H 1 0.638 0.001 . 1 . . 516 . . 29 ILE HD13 . 25372 2 218 . 1 1 29 29 ILE CA C 13 63.773 . . 1 . . 942 . . 29 ILE CA . 25372 2 219 . 1 1 29 29 ILE CG2 C 13 17.524 . . 1 . . 434 . . 29 ILE CG2 . 25372 2 220 . 1 1 29 29 ILE CD1 C 13 14.582 . . 1 . . 433 . . 29 ILE CD1 . 25372 2 221 . 1 1 33 33 ASP HA H 1 4.595 0.0 . 1 . . 670 . . 33 ASP HA . 25372 2 222 . 1 1 33 33 ASP HB2 H 1 2.837 . . 2 . . 671 . . 33 ASP HB2 . 25372 2 223 . 1 1 33 33 ASP HB3 H 1 2.646 . . 2 . . 672 . . 33 ASP HB3 . 25372 2 224 . 1 1 33 33 ASP CA C 13 53.203 0.001 . 1 . . 401 . . 33 ASP CA . 25372 2 225 . 1 1 34 34 SER HA H 1 4.118 0.002 . 1 . . 577 . . 34 SER HA . 25372 2 226 . 1 1 34 34 SER HB2 H 1 3.829 0.001 . 2 . . 578 . . 34 SER HB2 . 25372 2 227 . 1 1 34 34 SER HB3 H 1 3.772 0.001 . 2 . . 579 . . 34 SER HB3 . 25372 2 228 . 1 1 34 34 SER CA C 13 60.723 . . 1 . . 400 . . 34 SER CA . 25372 2 229 . 1 1 34 34 SER CB C 13 62.909 . . 1 . . 193 . . 34 SER CB . 25372 2 230 . 1 1 35 35 THR HA H 1 4.056 0.0 . 1 . . 608 . . 35 THR HA . 25372 2 231 . 1 1 35 35 THR HB H 1 4.122 0.0 . 1 . . 738 . . 35 THR HB . 25372 2 232 . 1 1 35 35 THR HG21 H 1 1.078 . . 1 . . 609 . . 35 THR HG21 . 25372 2 233 . 1 1 35 35 THR HG22 H 1 1.078 . . 1 . . 609 . . 35 THR HG22 . 25372 2 234 . 1 1 35 35 THR HG23 H 1 1.078 . . 1 . . 609 . . 35 THR HG23 . 25372 2 235 . 1 1 35 35 THR CA C 13 64.892 . . 1 . . 303 . . 35 THR CA . 25372 2 236 . 1 1 35 35 THR CB C 13 68.902 . . 1 . . 384 . . 35 THR CB . 25372 2 237 . 1 1 36 36 THR HA H 1 3.954 0.0 . 1 . . 630 . . 36 THR HA . 25372 2 238 . 1 1 36 36 THR HB H 1 4.206 . . 1 . . 739 . . 36 THR HB . 25372 2 239 . 1 1 36 36 THR HG21 H 1 1.098 . . 1 . . 631 . . 36 THR HG21 . 25372 2 240 . 1 1 36 36 THR HG22 H 1 1.098 . . 1 . . 631 . . 36 THR HG22 . 25372 2 241 . 1 1 36 36 THR HG23 H 1 1.098 . . 1 . . 631 . . 36 THR HG23 . 25372 2 242 . 1 1 36 36 THR CA C 13 64.536 . . 1 . . 305 . . 36 THR CA . 25372 2 243 . 1 1 37 37 ALA HA H 1 3.815 0.001 . 1 . . 549 . . 37 ALA HA . 25372 2 244 . 1 1 37 37 ALA HB1 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB1 . 25372 2 245 . 1 1 37 37 ALA HB2 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB2 . 25372 2 246 . 1 1 37 37 ALA HB3 H 1 1.335 0.001 . 1 . . 550 . . 37 ALA HB3 . 25372 2 247 . 1 1 37 37 ALA CA C 13 55.742 . . 1 . . 364 . . 37 ALA CA . 25372 2 248 . 1 1 37 37 ALA CB C 13 18.309 . . 1 . . 391 . . 37 ALA CB . 25372 2 249 . 1 1 38 38 GLU HA H 1 3.839 0.001 . 1 . . 566 . . 38 GLU HA . 25372 2 250 . 1 1 38 38 GLU HB2 H 1 1.977 0.001 . 2 . . 568 . . 38 GLU HB2 . 25372 2 251 . 1 1 38 38 GLU HB3 H 1 1.920 0.001 . 2 . . 742 . . 38 GLU HB3 . 25372 2 252 . 1 1 38 38 GLU HG2 H 1 2.203 0.001 . 2 . . 567 . . 38 GLU HG2 . 25372 2 253 . 1 1 38 38 GLU HG3 H 1 2.204 . . 2 . . 957 . . 38 GLU HG3 . 25372 2 254 . 1 1 38 38 GLU CA C 13 59.288 . . 1 . . 301 . . 38 GLU CA . 25372 2 255 . 1 1 39 39 LYS HA H 1 3.876 0.001 . 1 . . 853 . . 39 LYS HA . 25372 2 256 . 1 1 39 39 LYS HB2 H 1 1.816 0.002 . 2 . . 852 . . 39 LYS HB2 . 25372 2 257 . 1 1 39 39 LYS HB3 H 1 1.702 0.002 . 2 . . 854 . . 39 LYS HB3 . 25372 2 258 . 1 1 39 39 LYS HG2 H 1 1.423 0.001 . 2 . . 855 . . 39 LYS HG2 . 25372 2 259 . 1 1 39 39 LYS HG3 H 1 1.250 0.001 . 2 . . 912 . . 39 LYS HG3 . 25372 2 260 . 1 1 39 39 LYS CA C 13 59.150 . . 1 . . 167 . . 39 LYS CA . 25372 2 261 . 1 1 39 39 LYS CG C 13 25.559 . . 1 . . 911 . . 39 LYS CG . 25372 2 262 . 1 1 40 40 MET HA H 1 4.123 . . 1 . . 856 . . 40 MET HA . 25372 2 263 . 1 1 41 41 LYS HA H 1 3.752 0.001 . 1 . . 869 . . 41 LYS HA . 25372 2 264 . 1 1 41 41 LYS HB2 H 1 1.817 . . 2 . . 868 . . 41 LYS HB2 . 25372 2 265 . 1 1 41 41 LYS HB3 H 1 1.817 . . 2 . . 958 . . 41 LYS HB3 . 25372 2 266 . 1 1 41 41 LYS HG2 H 1 1.247 . . 2 . . 865 . . 41 LYS HG2 . 25372 2 267 . 1 1 41 41 LYS HG3 H 1 1.351 . . 2 . . 866 . . 41 LYS HG3 . 25372 2 268 . 1 1 41 41 LYS CA C 13 60.430 0.002 . 1 . . 409 . . 41 LYS CA . 25372 2 269 . 1 1 42 42 VAL HA H 1 3.486 0.001 . 1 . . 863 . . 42 VAL HA . 25372 2 270 . 1 1 42 42 VAL HB H 1 1.991 . . 1 . . 864 . . 42 VAL HB . 25372 2 271 . 1 1 42 42 VAL HG11 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG11 . 25372 2 272 . 1 1 42 42 VAL HG12 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG12 . 25372 2 273 . 1 1 42 42 VAL HG13 H 1 0.798 0.002 . 1 . . 784 . . 42 VAL HG13 . 25372 2 274 . 1 1 42 42 VAL HG21 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG21 . 25372 2 275 . 1 1 42 42 VAL HG22 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG22 . 25372 2 276 . 1 1 42 42 VAL HG23 H 1 0.932 0.002 . 1 . . 785 . . 42 VAL HG23 . 25372 2 277 . 1 1 42 42 VAL CA C 13 66.305 0.024 . 1 . . 408 . . 42 VAL CA . 25372 2 278 . 1 1 43 43 HIS HA H 1 4.267 0.002 . 1 . . 507 . . 43 HIS HA . 25372 2 279 . 1 1 43 43 HIS HB2 H 1 3.062 0.0 . 2 . . 508 . . 43 HIS HB2 . 25372 2 280 . 1 1 43 43 HIS HB3 H 1 3.062 . . 2 . . 960 . . 43 HIS HB3 . 25372 2 281 . 1 1 43 43 HIS HD1 H 1 6.622 0.001 . 1 . . 888 . . 43 HIS HD1 . 25372 2 282 . 1 1 43 43 HIS CA C 13 59.090 . . 1 . . 415 . . 43 HIS CA . 25372 2 283 . 1 1 43 43 HIS CB C 13 30.099 . . 1 . . 323 . . 43 HIS CB . 25372 2 284 . 1 1 44 44 ALA HA H 1 3.757 0.002 . 1 . . 635 . . 44 ALA HA . 25372 2 285 . 1 1 44 44 ALA HB1 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB1 . 25372 2 286 . 1 1 44 44 ALA HB2 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB2 . 25372 2 287 . 1 1 44 44 ALA HB3 H 1 1.348 0.001 . 1 . . 636 . . 44 ALA HB3 . 25372 2 288 . 1 1 44 44 ALA CA C 13 55.638 0.05 . 1 . . 326 . . 44 ALA CA . 25372 2 289 . 1 1 44 44 ALA CB C 13 18.786 . . 1 . . 325 . . 44 ALA CB . 25372 2 290 . 1 1 45 45 LYS HA H 1 3.897 . . 1 . . 478 . . 45 LYS HA . 25372 2 291 . 1 1 45 45 LYS HB2 H 1 1.787 . . 2 . . 480 . . 45 LYS HB2 . 25372 2 292 . 1 1 45 45 LYS HB3 H 1 1.787 . . 2 . . 961 . . 45 LYS HB3 . 25372 2 293 . 1 1 45 45 LYS HD2 H 1 1.526 . . 2 . . 481 . . 45 LYS HD2 . 25372 2 294 . 1 1 45 45 LYS HD3 H 1 1.526 . . 2 . . 962 . . 45 LYS HD3 . 25372 2 295 . 1 1 45 45 LYS CA C 13 59.598 . . 1 . . 291 . . 45 LYS CA . 25372 2 296 . 1 1 46 46 SER HA H 1 4.120 0.005 . 1 . . 637 . . 46 SER HA . 25372 2 297 . 1 1 46 46 SER HB2 H 1 3.886 . . 1 . . 638 . . 46 SER HB2 . 25372 2 298 . 1 1 46 46 SER CA C 13 61.734 . . 1 . . 353 . . 46 SER CA . 25372 2 299 . 1 1 47 47 PHE HA H 1 3.997 0.001 . 1 . . 789 . . 47 PHE HA . 25372 2 300 . 1 1 47 47 PHE HB2 H 1 2.900 0.001 . 2 . . 787 . . 47 PHE HB2 . 25372 2 301 . 1 1 47 47 PHE HB3 H 1 2.835 0.002 . 2 . . 788 . . 47 PHE HB3 . 25372 2 302 . 1 1 47 47 PHE HD1 H 1 6.925 0.0 . 1 . . 882 . . 47 PHE HD1 . 25372 2 303 . 1 1 47 47 PHE HD2 H 1 6.925 0.0 . 1 . . 882 . . 47 PHE HD2 . 25372 2 304 . 1 1 47 47 PHE HE1 H 1 7.169 0.003 . 1 . . 883 . . 47 PHE HE1 . 25372 2 305 . 1 1 47 47 PHE HE2 H 1 7.169 0.003 . 1 . . 883 . . 47 PHE HE2 . 25372 2 306 . 1 1 47 47 PHE CA C 13 61.118 0.007 . 1 . . 786 . . 47 PHE CA . 25372 2 307 . 1 1 48 48 GLU HA H 1 3.604 0.088 . 1 . . 539 . . 48 GLU HA . 25372 2 308 . 1 1 48 48 GLU HB2 H 1 1.579 . . 2 . . 538 . . 48 GLU HB2 . 25372 2 309 . 1 1 48 48 GLU HB3 H 1 1.579 . . 2 . . 873 . . 48 GLU HB3 . 25372 2 310 . 1 1 48 48 GLU HG2 H 1 2.278 0.027 . 2 . . 537 . . 48 GLU HG2 . 25372 2 311 . 1 1 48 48 GLU HG3 H 1 2.531 . . 2 . . 872 . . 48 GLU HG3 . 25372 2 312 . 1 1 48 48 GLU CA C 13 61.233 0.011 . 1 . . 404 . . 48 GLU CA . 25372 2 313 . 1 1 48 48 GLU CG C 13 36.602 0.035 . 1 . . 339 . . 48 GLU CG . 25372 2 314 . 1 1 49 49 ALA HA H 1 3.678 0.001 . 1 . . 526 . . 49 ALA HA . 25372 2 315 . 1 1 49 49 ALA HB1 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB1 . 25372 2 316 . 1 1 49 49 ALA HB2 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB2 . 25372 2 317 . 1 1 49 49 ALA HB3 H 1 1.359 0.001 . 1 . . 527 . . 49 ALA HB3 . 25372 2 318 . 1 1 49 49 ALA CA C 13 55.301 . . 1 . . 379 . . 49 ALA CA . 25372 2 319 . 1 1 49 49 ALA CB C 13 17.870 . . 1 . . 340 . . 49 ALA CB . 25372 2 320 . 1 1 50 50 ALA HA H 1 4.007 . . 1 . . 476 . . 50 ALA HA . 25372 2 321 . 1 1 50 50 ALA HB1 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB1 . 25372 2 322 . 1 1 50 50 ALA HB2 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB2 . 25372 2 323 . 1 1 50 50 ALA HB3 H 1 1.241 0.001 . 1 . . 477 . . 50 ALA HB3 . 25372 2 324 . 1 1 50 50 ALA CB C 13 17.870 . . 1 . . 280 . . 50 ALA CB . 25372 2 325 . 1 1 51 51 LEU HA H 1 3.858 0.001 . 1 . . 569 . . 51 LEU HA . 25372 2 326 . 1 1 51 51 LEU HB2 H 1 1.518 0.0 . 2 . . 570 . . 51 LEU HB2 . 25372 2 327 . 1 1 51 51 LEU HB3 H 1 1.222 0.002 . 2 . . 572 . . 51 LEU HB3 . 25372 2 328 . 1 1 51 51 LEU HG H 1 1.446 0.002 . 1 . . 571 . . 51 LEU HG . 25372 2 329 . 1 1 51 51 LEU HD11 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD11 . 25372 2 330 . 1 1 51 51 LEU HD12 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD12 . 25372 2 331 . 1 1 51 51 LEU HD13 H 1 0.650 0.001 . 1 . . 573 . . 51 LEU HD13 . 25372 2 332 . 1 1 51 51 LEU HD21 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD21 . 25372 2 333 . 1 1 51 51 LEU HD22 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD22 . 25372 2 334 . 1 1 51 51 LEU HD23 H 1 0.603 0.001 . 1 . . 574 . . 51 LEU HD23 . 25372 2 335 . 1 1 51 51 LEU CB C 13 41.514 0.0 . 1 . . 195 . . 51 LEU CB . 25372 2 336 . 1 1 51 51 LEU CG C 13 27.203 0.0 . 1 . . 198 . . 51 LEU CG . 25372 2 337 . 1 1 51 51 LEU CD1 C 13 24.301 . . 1 . . 197 . . 51 LEU CD1 . 25372 2 338 . 1 1 51 51 LEU CD2 C 13 25.449 0.003 . 1 . . 199 . . 51 LEU CD2 . 25372 2 339 . 1 1 52 52 PHE HA H 1 3.761 0.001 . 1 . . 645 . . 52 PHE HA . 25372 2 340 . 1 1 52 52 PHE HB2 H 1 3.104 0.002 . 2 . . 646 . . 52 PHE HB2 . 25372 2 341 . 1 1 52 52 PHE HB3 H 1 2.967 0.002 . 2 . . 647 . . 52 PHE HB3 . 25372 2 342 . 1 1 52 52 PHE HD1 H 1 6.449 0.002 . 1 . . 886 . . 52 PHE HD1 . 25372 2 343 . 1 1 52 52 PHE HD2 H 1 6.449 0.002 . 1 . . 886 . . 52 PHE HD2 . 25372 2 344 . 1 1 52 52 PHE HE1 H 1 6.939 . . 1 . . 885 . . 52 PHE HE1 . 25372 2 345 . 1 1 52 52 PHE HE2 H 1 6.939 . . 1 . . 885 . . 52 PHE HE2 . 25372 2 346 . 1 1 52 52 PHE CA C 13 62.971 0.0 . 1 . . 201 . . 52 PHE CA . 25372 2 347 . 1 1 52 52 PHE CB C 13 39.315 0.0 . 1 . . 215 . . 52 PHE CB . 25372 2 348 . 1 1 54 54 LYS HE2 H 1 2.753 . . 2 . . 581 . . 54 LYS HE2 . 25372 2 349 . 1 1 54 54 LYS HE3 H 1 2.753 . . 2 . . 964 . . 54 LYS HE3 . 25372 2 350 . 1 1 58 58 LYS HA H 1 3.802 0.0 . 1 . . 604 . . 58 LYS HA . 25372 2 351 . 1 1 58 58 LYS HB2 H 1 1.530 0.009 . 1 . . 606 . . 58 LYS HB2 . 25372 2 352 . 1 1 58 58 LYS HG2 H 1 1.193 . . 2 . . 607 . . 58 LYS HG2 . 25372 2 353 . 1 1 58 58 LYS HG3 H 1 1.187 0.001 . 2 . . 924 . . 58 LYS HG3 . 25372 2 354 . 1 1 58 58 LYS HE2 H 1 2.786 0.001 . 2 . . 605 . . 58 LYS HE2 . 25372 2 355 . 1 1 58 58 LYS HE3 H 1 2.786 . . 2 . . 967 . . 58 LYS HE3 . 25372 2 356 . 1 1 58 58 LYS CA C 13 59.632 0.0 . 1 . . 159 . . 58 LYS CA . 25372 2 357 . 1 1 58 58 LYS CB C 13 32.351 0.011 . 1 . . 382 . . 58 LYS CB . 25372 2 358 . 1 1 58 58 LYS CG C 13 24.385 0.0 . 1 . . 438 . . 58 LYS CG . 25372 2 359 . 1 1 61 61 TYR HA H 1 3.939 0.001 . 1 . . 528 . . 61 TYR HA . 25372 2 360 . 1 1 61 61 TYR HB2 H 1 3.029 0.0 . 2 . . 529 . . 61 TYR HB2 . 25372 2 361 . 1 1 61 61 TYR HB3 H 1 2.957 . . 2 . . 530 . . 61 TYR HB3 . 25372 2 362 . 1 1 61 61 TYR HD1 H 1 6.770 0.001 . 1 . . 887 . . 61 TYR HD1 . 25372 2 363 . 1 1 61 61 TYR HD2 H 1 6.770 0.001 . 1 . . 887 . . 61 TYR HD2 . 25372 2 364 . 1 1 61 61 TYR HE1 H 1 6.656 0.002 . 1 . . 940 . . 61 TYR HE1 . 25372 2 365 . 1 1 61 61 TYR HE2 H 1 6.656 0.002 . 1 . . 940 . . 61 TYR HE2 . 25372 2 366 . 1 1 61 61 TYR CA C 13 61.532 0.0 . 1 . . 424 . . 61 TYR CA . 25372 2 367 . 1 1 62 62 GLN HA H 1 3.498 0.001 . 1 . . 640 . . 62 GLN HA . 25372 2 368 . 1 1 62 62 GLN HB2 H 1 2.104 0.0 . 2 . . 643 . . 62 GLN HB2 . 25372 2 369 . 1 1 62 62 GLN HB3 H 1 1.895 0.0 . 2 . . 644 . . 62 GLN HB3 . 25372 2 370 . 1 1 62 62 GLN HG2 H 1 2.528 0.001 . 2 . . 641 . . 62 GLN HG2 . 25372 2 371 . 1 1 62 62 GLN HG3 H 1 2.360 0.001 . 2 . . 642 . . 62 GLN HG3 . 25372 2 372 . 1 1 62 62 GLN CA C 13 58.939 0.002 . 1 . . 186 . . 62 GLN CA . 25372 2 373 . 1 1 62 62 GLN CB C 13 28.609 . . 1 . . 185 . . 62 GLN CB . 25372 2 374 . 1 1 64 64 THR HA H 1 3.832 . . 1 . . 461 . . 64 THR HA . 25372 2 375 . 1 1 64 64 THR HB H 1 4.015 . . 1 . . 745 . . 64 THR HB . 25372 2 376 . 1 1 64 64 THR HG21 H 1 1.144 . . 1 . . 462 . . 64 THR HG21 . 25372 2 377 . 1 1 64 64 THR HG22 H 1 1.144 . . 1 . . 462 . . 64 THR HG22 . 25372 2 378 . 1 1 64 64 THR HG23 H 1 1.144 . . 1 . . 462 . . 64 THR HG23 . 25372 2 379 . 1 1 64 64 THR CB C 13 68.135 . . 1 . . 270 . . 64 THR CB . 25372 2 380 . 1 1 64 64 THR CG2 C 13 22.780 . . 1 . . 429 . . 64 THR CG2 . 25372 2 381 . 1 1 65 65 MET HA H 1 4.098 0.002 . 1 . . 473 . . 65 MET HA . 25372 2 382 . 1 1 65 65 MET HB2 H 1 1.666 0.002 . 2 . . 475 . . 65 MET HB2 . 25372 2 383 . 1 1 65 65 MET HB3 H 1 1.365 0.001 . 2 . . 938 . . 65 MET HB3 . 25372 2 384 . 1 1 65 65 MET HG2 H 1 2.348 . . 2 . . 474 . . 65 MET HG2 . 25372 2 385 . 1 1 65 65 MET HG3 H 1 2.006 . . 2 . . 908 . . 65 MET HG3 . 25372 2 386 . 1 1 65 65 MET CB C 13 30.938 0.0 . 1 . . 389 . . 65 MET CB . 25372 2 387 . 1 1 66 66 LYS HA H 1 3.769 0.001 . 1 . . 551 . . 66 LYS HA . 25372 2 388 . 1 1 66 66 LYS HB2 H 1 1.725 . . 1 . . 553 . . 66 LYS HB2 . 25372 2 389 . 1 1 66 66 LYS HG2 H 1 1.294 . . 1 . . 555 . . 66 LYS HG2 . 25372 2 390 . 1 1 66 66 LYS HD2 H 1 1.461 . . 2 . . 554 . . 66 LYS HD2 . 25372 2 391 . 1 1 66 66 LYS HD3 H 1 1.551 . . 2 . . 899 . . 66 LYS HD3 . 25372 2 392 . 1 1 66 66 LYS CA C 13 59.404 . . 1 . . 347 . . 66 LYS CA . 25372 2 393 . 1 1 69 69 ILE HA H 1 3.286 0.001 . 1 . . 632 . . 69 ILE HA . 25372 2 394 . 1 1 69 69 ILE HB H 1 1.710 0.001 . 1 . . 633 . . 69 ILE HB . 25372 2 395 . 1 1 69 69 ILE HG13 H 1 1.664 . . 1 . . 797 . . 69 ILE HG13 . 25372 2 396 . 1 1 69 69 ILE HG21 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG21 . 25372 2 397 . 1 1 69 69 ILE HG22 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG22 . 25372 2 398 . 1 1 69 69 ILE HG23 H 1 0.735 0.002 . 1 . . 634 . . 69 ILE HG23 . 25372 2 399 . 1 1 69 69 ILE HD11 H 1 0.551 . . 1 . . 921 . . 69 ILE HD11 . 25372 2 400 . 1 1 69 69 ILE HD12 H 1 0.551 . . 1 . . 921 . . 69 ILE HD12 . 25372 2 401 . 1 1 69 69 ILE HD13 H 1 0.551 . . 1 . . 921 . . 69 ILE HD13 . 25372 2 402 . 1 1 69 69 ILE CA C 13 66.439 . . 1 . . 266 . . 69 ILE CA . 25372 2 403 . 1 1 69 69 ILE CB C 13 37.834 . . 1 . . 265 . . 69 ILE CB . 25372 2 404 . 1 1 69 69 ILE CG2 C 13 17.878 . . 1 . . 224 . . 69 ILE CG2 . 25372 2 405 . 1 1 72 72 MET HA H 1 4.139 0.0 . 1 . . 673 . . 72 MET HA . 25372 2 406 . 1 1 72 72 MET HB2 H 1 2.052 . . 1 . . 798 . . 72 MET HB2 . 25372 2 407 . 1 1 72 72 MET HG2 H 1 2.485 . . 2 . . 674 . . 72 MET HG2 . 25372 2 408 . 1 1 72 72 MET HG3 H 1 2.353 . . 2 . . 675 . . 72 MET HG3 . 25372 2 409 . 1 1 72 72 MET CA C 13 57.313 . . 1 . . 257 . . 72 MET CA . 25372 2 410 . 1 1 72 72 MET CB C 13 31.937 . . 1 . . 171 . . 72 MET CB . 25372 2 411 . 1 1 73 73 ARG HA H 1 3.620 0.0 . 1 . . 684 . . 73 ARG HA . 25372 2 412 . 1 1 73 73 ARG HD2 H 1 3.073 . . 2 . . 685 . . 73 ARG HD2 . 25372 2 413 . 1 1 73 73 ARG HD3 H 1 3.073 . . 2 . . 972 . . 73 ARG HD3 . 25372 2 414 . 1 1 73 73 ARG CA C 13 60.497 0.001 . 1 . . 946 . . 73 ARG CA . 25372 2 415 . 1 1 75 75 THR HA H 1 3.813 . . 1 . . 668 . . 75 THR HA . 25372 2 416 . 1 1 75 75 THR HB H 1 4.166 0.001 . 1 . . 750 . . 75 THR HB . 25372 2 417 . 1 1 75 75 THR HG21 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG21 . 25372 2 418 . 1 1 75 75 THR HG22 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG22 . 25372 2 419 . 1 1 75 75 THR HG23 H 1 1.052 0.001 . 1 . . 669 . . 75 THR HG23 . 25372 2 420 . 1 1 75 75 THR CA C 13 66.236 . . 1 . . 360 . . 75 THR CA . 25372 2 421 . 1 1 76 76 ARG HA H 1 3.596 0.003 . 1 . . 617 . . 76 ARG HA . 25372 2 422 . 1 1 76 76 ARG HB2 H 1 2.108 0.002 . 2 . . 619 . . 76 ARG HB2 . 25372 2 423 . 1 1 76 76 ARG HB3 H 1 2.107 . . 2 . . 751 . . 76 ARG HB3 . 25372 2 424 . 1 1 76 76 ARG HG2 H 1 1.550 . . 2 . . 620 . . 76 ARG HG2 . 25372 2 425 . 1 1 76 76 ARG HG3 H 1 1.270 . . 2 . . 621 . . 76 ARG HG3 . 25372 2 426 . 1 1 76 76 ARG HD2 H 1 3.096 0.001 . 2 . . 618 . . 76 ARG HD2 . 25372 2 427 . 1 1 76 76 ARG HD3 H 1 3.096 . . 2 . . 954 . . 76 ARG HD3 . 25372 2 428 . 1 1 76 76 ARG CA C 13 59.434 0.007 . 1 . . 318 . . 76 ARG CA . 25372 2 429 . 1 1 76 76 ARG CB C 13 29.026 . . 1 . . 328 . . 76 ARG CB . 25372 2 430 . 1 1 79 79 ARG HA H 1 4.012 . . 1 . . 692 . . 79 ARG HA . 25372 2 431 . 1 1 79 79 ARG HB2 H 1 1.743 0.0 . 1 . . 695 . . 79 ARG HB2 . 25372 2 432 . 1 1 79 79 ARG HG2 H 1 1.587 . . 2 . . 696 . . 79 ARG HG2 . 25372 2 433 . 1 1 79 79 ARG HG3 H 1 1.529 . . 2 . . 697 . . 79 ARG HG3 . 25372 2 434 . 1 1 79 79 ARG HD2 H 1 3.084 . . 2 . . 693 . . 79 ARG HD2 . 25372 2 435 . 1 1 79 79 ARG HD3 H 1 3.012 . . 2 . . 694 . . 79 ARG HD3 . 25372 2 436 . 1 1 79 79 ARG CA C 13 56.977 . . 1 . . 180 . . 79 ARG CA . 25372 2 437 . 1 1 79 79 ARG CB C 13 29.317 . . 1 . . 178 . . 79 ARG CB . 25372 2 438 . 1 1 80 80 LYS HA H 1 3.908 . . 1 . . 487 . . 80 LYS HA . 25372 2 439 . 1 1 84 84 VAL HA H 1 4.012 0.001 . 1 . . 534 . . 84 VAL HA . 25372 2 440 . 1 1 84 84 VAL HB H 1 1.997 0.001 . 1 . . 535 . . 84 VAL HB . 25372 2 441 . 1 1 84 84 VAL HG11 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG11 . 25372 2 442 . 1 1 84 84 VAL HG12 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG12 . 25372 2 443 . 1 1 84 84 VAL HG13 H 1 0.792 0.003 . 1 . . 536 . . 84 VAL HG13 . 25372 2 444 . 1 1 84 84 VAL CA C 13 62.602 . . 1 . . 284 . . 84 VAL CA . 25372 2 445 . 1 1 84 84 VAL CB C 13 32.611 . . 1 . . 282 . . 84 VAL CB . 25372 2 446 . 1 1 84 84 VAL CG1 C 13 21.087 . . 1 . . 285 . . 84 VAL CG1 . 25372 2 447 . 1 1 84 84 VAL CG2 C 13 21.087 . . 1 . . 286 . . 84 VAL CG2 . 25372 2 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_2_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Entry_ID 25372 _Assigned_chem_shift_list.ID 3 _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 2 '3D 1H-15N NOESY' 1 $CG_KIX_15N isotropic 25372 3 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 4 $CcpNmr_Analysis . . 25372 3 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 1 1 MET HA H 1 4.377 . . 1 . . 700 . . 1 MET HA . 25372 3 2 . 1 1 1 1 MET HB2 H 1 1.839 . . 2 . . 914 . . 1 MET HB2 . 25372 3 3 . 1 1 1 1 MET HB3 H 1 1.940 . . 2 . . 915 . . 1 MET HB3 . 25372 3 4 . 1 1 1 1 MET HG2 H 1 2.410 . . 2 . . 701 . . 1 MET HG2 . 25372 3 5 . 1 1 1 1 MET HG3 H 1 2.360 . . 2 . . 702 . . 1 MET HG3 . 25372 3 6 . 1 1 2 2 SER H H 1 9.042 0.0 . 1 . . 128 . . 2 SER H . 25372 3 7 . 1 1 2 2 SER HA H 1 4.469 0.001 . 1 . . 652 . . 2 SER HA . 25372 3 8 . 1 1 2 2 SER HB2 H 1 3.834 . . 2 . . 653 . . 2 SER HB2 . 25372 3 9 . 1 1 2 2 SER HB3 H 1 3.760 . . 2 . . 654 . . 2 SER HB3 . 25372 3 10 . 1 1 2 2 SER N N 15 119.030 0.0 . 1 . . 127 . . 2 SER N . 25372 3 11 . 1 1 3 3 SER H H 1 8.594 0.0 . 1 . . 60 . . 3 SER H . 25372 3 12 . 1 1 3 3 SER HA H 1 4.309 0.0 . 1 . . 676 . . 3 SER HA . 25372 3 13 . 1 1 3 3 SER HB2 H 1 3.926 0.0 . 2 . . 703 . . 3 SER HB2 . 25372 3 14 . 1 1 3 3 SER HB3 H 1 3.808 0.001 . 2 . . 922 . . 3 SER HB3 . 25372 3 15 . 1 1 3 3 SER N N 15 118.443 0.0 . 1 . . 59 . . 3 SER N . 25372 3 16 . 1 1 4 4 LYS H H 1 8.752 0.0 . 1 . . 66 . . 4 LYS H . 25372 3 17 . 1 1 4 4 LYS HA H 1 3.773 0.0 . 1 . . 599 . . 4 LYS HA . 25372 3 18 . 1 1 4 4 LYS HB2 H 1 1.408 0.001 . 2 . . 600 . . 4 LYS HB2 . 25372 3 19 . 1 1 4 4 LYS HB3 H 1 1.215 0.002 . 2 . . 601 . . 4 LYS HB3 . 25372 3 20 . 1 1 4 4 LYS HG2 H 1 0.850 0.001 . 2 . . 704 . . 4 LYS HG2 . 25372 3 21 . 1 1 4 4 LYS HG3 H 1 0.849 . . 2 . . 950 . . 4 LYS HG3 . 25372 3 22 . 1 1 4 4 LYS HD2 H 1 0.974 0.001 . 2 . . 602 . . 4 LYS HD2 . 25372 3 23 . 1 1 4 4 LYS HD3 H 1 0.974 . . 2 . . 949 . . 4 LYS HD3 . 25372 3 24 . 1 1 4 4 LYS HE2 H 1 2.260 . . 2 . . 603 . . 4 LYS HE2 . 25372 3 25 . 1 1 4 4 LYS HE3 H 1 2.433 0.001 . 2 . . 710 . . 4 LYS HE3 . 25372 3 26 . 1 1 4 4 LYS N N 15 125.157 0.0 . 1 . . 65 . . 4 LYS N . 25372 3 27 . 1 1 5 5 GLU H H 1 8.147 0.001 . 1 . . 16 . . 5 GLU H . 25372 3 28 . 1 1 5 5 GLU HA H 1 4.140 0.001 . 1 . . 610 . . 5 GLU HA . 25372 3 29 . 1 1 5 5 GLU HB2 H 1 2.007 0.0 . 2 . . 612 . . 5 GLU HB2 . 25372 3 30 . 1 1 5 5 GLU HB3 H 1 1.840 0.001 . 2 . . 613 . . 5 GLU HB3 . 25372 3 31 . 1 1 5 5 GLU HG2 H 1 2.164 0.001 . 2 . . 611 . . 5 GLU HG2 . 25372 3 32 . 1 1 5 5 GLU HG3 H 1 2.164 . . 2 . . 951 . . 5 GLU HG3 . 25372 3 33 . 1 1 5 5 GLU N N 15 119.520 0.0 . 1 . . 15 . . 5 GLU N . 25372 3 34 . 1 1 6 6 THR H H 1 7.508 0.001 . 1 . . 80 . . 6 THR H . 25372 3 35 . 1 1 6 6 THR HA H 1 4.180 0.0 . 1 . . 717 . . 6 THR HA . 25372 3 36 . 1 1 6 6 THR HB H 1 4.226 0.001 . 1 . . 945 . . 6 THR HB . 25372 3 37 . 1 1 6 6 THR HG21 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG21 . 25372 3 38 . 1 1 6 6 THR HG22 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG22 . 25372 3 39 . 1 1 6 6 THR HG23 H 1 1.091 0.0 . 1 . . 576 . . 6 THR HG23 . 25372 3 40 . 1 1 6 6 THR N N 15 109.355 0.0 . 1 . . 79 . . 6 THR N . 25372 3 41 . 1 1 7 7 ILE H H 1 7.385 0.001 . 1 . . 150 . . 7 ILE H . 25372 3 42 . 1 1 7 7 ILE HA H 1 4.056 0.0 . 1 . . 780 . . 7 ILE HA . 25372 3 43 . 1 1 7 7 ILE HB H 1 1.666 0.0 . 1 . . 781 . . 7 ILE HB . 25372 3 44 . 1 1 7 7 ILE HG12 H 1 1.399 0.002 . 2 . . 782 . . 7 ILE HG12 . 25372 3 45 . 1 1 7 7 ILE HG13 H 1 0.838 . . 2 . . 931 . . 7 ILE HG13 . 25372 3 46 . 1 1 7 7 ILE HD11 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD11 . 25372 3 47 . 1 1 7 7 ILE HD12 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD12 . 25372 3 48 . 1 1 7 7 ILE HD13 H 1 0.655 0.0 . 1 . . 778 . . 7 ILE HD13 . 25372 3 49 . 1 1 7 7 ILE N N 15 125.253 0.0 . 1 . . 149 . . 7 ILE N . 25372 3 50 . 1 1 8 8 PRO HA H 1 4.331 0.001 . 1 . . 648 . . 8 PRO HA . 25372 3 51 . 1 1 8 8 PRO HB2 H 1 2.236 . . 2 . . 649 . . 8 PRO HB2 . 25372 3 52 . 1 1 8 8 PRO HB3 H 1 1.494 0.0 . 2 . . 890 . . 8 PRO HB3 . 25372 3 53 . 1 1 8 8 PRO HG2 H 1 1.714 0.0 . 2 . . 650 . . 8 PRO HG2 . 25372 3 54 . 1 1 8 8 PRO HG3 H 1 1.714 . . 2 . . 901 . . 8 PRO HG3 . 25372 3 55 . 1 1 8 8 PRO HD2 H 1 3.981 . . 2 . . 651 . . 8 PRO HD2 . 25372 3 56 . 1 1 8 8 PRO HD3 H 1 3.573 0.001 . 2 . . 718 . . 8 PRO HD3 . 25372 3 57 . 1 1 9 9 MET H H 1 8.840 0.001 . 1 . . 154 . . 9 MET H . 25372 3 58 . 1 1 9 9 MET HA H 1 3.974 0.001 . 1 . . 906 . . 9 MET HA . 25372 3 59 . 1 1 9 9 MET HB2 H 1 1.951 . . 2 . . 904 . . 9 MET HB2 . 25372 3 60 . 1 1 9 9 MET HB3 H 1 1.917 . . 2 . . 907 . . 9 MET HB3 . 25372 3 61 . 1 1 9 9 MET HG2 H 1 2.521 0.001 . 2 . . 902 . . 9 MET HG2 . 25372 3 62 . 1 1 9 9 MET HG3 H 1 2.438 . . 2 . . 903 . . 9 MET HG3 . 25372 3 63 . 1 1 9 9 MET N N 15 124.278 0.0 . 1 . . 153 . . 9 MET N . 25372 3 64 . 1 1 10 10 HIS HA H 1 4.246 0.001 . 1 . . 509 . . 10 HIS HA . 25372 3 65 . 1 1 10 10 HIS HB2 H 1 2.921 0.001 . 2 . . 510 . . 10 HIS HB2 . 25372 3 66 . 1 1 10 10 HIS HB3 H 1 3.078 0.001 . 2 . . 719 . . 10 HIS HB3 . 25372 3 67 . 1 1 11 11 GLN H H 1 6.840 0.0 . 1 . . 68 . . 11 GLN H . 25372 3 68 . 1 1 11 11 GLN HA H 1 3.974 0.001 . 1 . . 546 . . 11 GLN HA . 25372 3 69 . 1 1 11 11 GLN HB2 H 1 1.885 0.0 . 2 . . 900 . . 11 GLN HB2 . 25372 3 70 . 1 1 11 11 GLN HB3 H 1 1.954 0.0 . 2 . . 932 . . 11 GLN HB3 . 25372 3 71 . 1 1 11 11 GLN HG2 H 1 2.244 0.002 . 2 . . 547 . . 11 GLN HG2 . 25372 3 72 . 1 1 11 11 GLN HG3 H 1 2.187 0.0 . 2 . . 548 . . 11 GLN HG3 . 25372 3 73 . 1 1 11 11 GLN N N 15 120.680 0.0 . 1 . . 67 . . 11 GLN N . 25372 3 74 . 1 1 12 12 ARG H H 1 7.120 0.001 . 1 . . 70 . . 12 ARG H . 25372 3 75 . 1 1 12 12 ARG HA H 1 3.977 . . 1 . . 511 . . 12 ARG HA . 25372 3 76 . 1 1 12 12 ARG HB2 H 1 1.817 0.001 . 2 . . 722 . . 12 ARG HB2 . 25372 3 77 . 1 1 12 12 ARG HB3 H 1 1.723 0.002 . 2 . . 723 . . 12 ARG HB3 . 25372 3 78 . 1 1 12 12 ARG HG2 H 1 1.217 0.002 . 2 . . 513 . . 12 ARG HG2 . 25372 3 79 . 1 1 12 12 ARG HG3 H 1 1.485 0.001 . 2 . . 720 . . 12 ARG HG3 . 25372 3 80 . 1 1 12 12 ARG HD2 H 1 2.514 0.001 . 2 . . 512 . . 12 ARG HD2 . 25372 3 81 . 1 1 12 12 ARG HD3 H 1 2.143 . . 2 . . 721 . . 12 ARG HD3 . 25372 3 82 . 1 1 12 12 ARG N N 15 119.535 0.0 . 1 . . 69 . . 12 ARG N . 25372 3 83 . 1 1 13 13 SER H H 1 8.464 0.001 . 1 . . 122 . . 13 SER H . 25372 3 84 . 1 1 13 13 SER HA H 1 3.975 0.004 . 1 . . 930 . . 13 SER HA . 25372 3 85 . 1 1 13 13 SER HB2 H 1 3.750 0.0 . 2 . . 556 . . 13 SER HB2 . 25372 3 86 . 1 1 13 13 SER HB3 H 1 3.750 . . 2 . . 952 . . 13 SER HB3 . 25372 3 87 . 1 1 13 13 SER N N 15 113.290 0.0 . 1 . . 121 . . 13 SER N . 25372 3 88 . 1 1 14 14 GLN H H 1 7.857 0.001 . 1 . . 110 . . 14 GLN H . 25372 3 89 . 1 1 14 14 GLN HA H 1 3.984 0.0 . 1 . . 933 . . 14 GLN HA . 25372 3 90 . 1 1 14 14 GLN HB2 H 1 1.996 . . 2 . . 934 . . 14 GLN HB2 . 25372 3 91 . 1 1 14 14 GLN HB3 H 1 2.104 0.0 . 2 . . 935 . . 14 GLN HB3 . 25372 3 92 . 1 1 14 14 GLN HG2 H 1 2.237 . . 2 . . 936 . . 14 GLN HG2 . 25372 3 93 . 1 1 14 14 GLN HG3 H 1 2.295 0.0 . 2 . . 937 . . 14 GLN HG3 . 25372 3 94 . 1 1 14 14 GLN N N 15 123.956 0.0 . 1 . . 109 . . 14 GLN N . 25372 3 95 . 1 1 15 15 ASN HA H 1 4.407 0.001 . 1 . . 892 . . 15 ASN HA . 25372 3 96 . 1 1 15 15 ASN HB2 H 1 2.703 . . 2 . . 893 . . 15 ASN HB2 . 25372 3 97 . 1 1 15 15 ASN HB3 H 1 3.203 0.001 . 2 . . 923 . . 15 ASN HB3 . 25372 3 98 . 1 1 16 16 VAL H H 1 7.854 0.001 . 1 . . 136 . . 16 VAL H . 25372 3 99 . 1 1 16 16 VAL HA H 1 3.225 0.002 . 1 . . 844 . . 16 VAL HA . 25372 3 100 . 1 1 16 16 VAL HB H 1 2.065 0.001 . 1 . . 843 . . 16 VAL HB . 25372 3 101 . 1 1 16 16 VAL HG11 H 1 0.741 . . 1 . . 840 . . 16 VAL HG11 . 25372 3 102 . 1 1 16 16 VAL HG12 H 1 0.741 . . 1 . . 840 . . 16 VAL HG12 . 25372 3 103 . 1 1 16 16 VAL HG13 H 1 0.741 . . 1 . . 840 . . 16 VAL HG13 . 25372 3 104 . 1 1 16 16 VAL HG21 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG21 . 25372 3 105 . 1 1 16 16 VAL HG22 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG22 . 25372 3 106 . 1 1 16 16 VAL HG23 H 1 1.019 0.001 . 1 . . 841 . . 16 VAL HG23 . 25372 3 107 . 1 1 16 16 VAL N N 15 119.582 0.003 . 1 . . 135 . . 16 VAL N . 25372 3 108 . 1 1 17 17 ALA H H 1 7.848 0.001 . 1 . . 839 . . 17 ALA H . 25372 3 109 . 1 1 17 17 ALA HA H 1 3.915 0.0 . 1 . . 545 . . 17 ALA HA . 25372 3 110 . 1 1 17 17 ALA HB1 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB1 . 25372 3 111 . 1 1 17 17 ALA HB2 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB2 . 25372 3 112 . 1 1 17 17 ALA HB3 H 1 1.356 0.002 . 1 . . 544 . . 17 ALA HB3 . 25372 3 113 . 1 1 17 17 ALA N N 15 120.661 0.0 . 1 . . 838 . . 17 ALA N . 25372 3 114 . 1 1 18 18 GLU H H 1 8.428 0.0 . 1 . . 146 . . 18 GLU H . 25372 3 115 . 1 1 18 18 GLU HA H 1 3.917 0.0 . 1 . . 939 . . 18 GLU HA . 25372 3 116 . 1 1 18 18 GLU HB2 H 1 2.042 0.001 . 2 . . 850 . . 18 GLU HB2 . 25372 3 117 . 1 1 18 18 GLU HB3 H 1 1.906 0.001 . 2 . . 851 . . 18 GLU HB3 . 25372 3 118 . 1 1 18 18 GLU HG2 H 1 2.336 0.002 . 2 . . 848 . . 18 GLU HG2 . 25372 3 119 . 1 1 18 18 GLU HG3 H 1 2.117 . . 2 . . 849 . . 18 GLU HG3 . 25372 3 120 . 1 1 18 18 GLU N N 15 120.287 0.0 . 1 . . 145 . . 18 GLU N . 25372 3 121 . 1 1 19 19 LEU H H 1 7.942 0.0 . 1 . . 120 . . 19 LEU H . 25372 3 122 . 1 1 19 19 LEU HA H 1 3.853 0.0 . 1 . . 657 . . 19 LEU HA . 25372 3 123 . 1 1 19 19 LEU HB2 H 1 1.679 0.0 . 2 . . 658 . . 19 LEU HB2 . 25372 3 124 . 1 1 19 19 LEU HB3 H 1 1.468 . . 2 . . 659 . . 19 LEU HB3 . 25372 3 125 . 1 1 19 19 LEU HD21 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD21 . 25372 3 126 . 1 1 19 19 LEU HD22 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD22 . 25372 3 127 . 1 1 19 19 LEU HD23 H 1 0.641 0.0 . 1 . . 660 . . 19 LEU HD23 . 25372 3 128 . 1 1 19 19 LEU N N 15 120.490 0.0 . 1 . . 119 . . 19 LEU N . 25372 3 129 . 1 1 20 20 LEU H H 1 8.874 0.001 . 1 . . 52 . . 20 LEU H . 25372 3 130 . 1 1 20 20 LEU HA H 1 3.775 0.001 . 1 . . 540 . . 20 LEU HA . 25372 3 131 . 1 1 20 20 LEU HB2 H 1 1.275 0.000 . 2 . . 541 . . 20 LEU HB2 . 25372 3 132 . 1 1 20 20 LEU HB3 H 1 1.840 0.011 . 2 . . 725 . . 20 LEU HB3 . 25372 3 133 . 1 1 20 20 LEU HG H 1 1.473 . . 1 . . 542 . . 20 LEU HG . 25372 3 134 . 1 1 20 20 LEU HD11 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD11 . 25372 3 135 . 1 1 20 20 LEU HD12 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD12 . 25372 3 136 . 1 1 20 20 LEU HD13 H 1 0.729 0.0 . 1 . . 896 . . 20 LEU HD13 . 25372 3 137 . 1 1 20 20 LEU HD21 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD21 . 25372 3 138 . 1 1 20 20 LEU HD22 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD22 . 25372 3 139 . 1 1 20 20 LEU HD23 H 1 0.784 0.0 . 1 . . 543 . . 20 LEU HD23 . 25372 3 140 . 1 1 20 20 LEU N N 15 119.420 . . 1 . . 51 . . 20 LEU N . 25372 3 141 . 1 1 21 21 THR H H 1 8.061 0.0 . 1 . . 94 . . 21 THR H . 25372 3 142 . 1 1 21 21 THR HA H 1 3.720 0.001 . 1 . . 503 . . 21 THR HA . 25372 3 143 . 1 1 21 21 THR HB H 1 4.139 0.001 . 1 . . 728 . . 21 THR HB . 25372 3 144 . 1 1 21 21 THR HG21 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG21 . 25372 3 145 . 1 1 21 21 THR HG22 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG22 . 25372 3 146 . 1 1 21 21 THR HG23 H 1 1.135 0.002 . 1 . . 504 . . 21 THR HG23 . 25372 3 147 . 1 1 21 21 THR N N 15 114.368 0.0 . 1 . . 93 . . 21 THR N . 25372 3 148 . 1 1 22 22 VAL H H 1 7.191 0.001 . 1 . . 96 . . 22 VAL H . 25372 3 149 . 1 1 22 22 VAL HA H 1 3.770 0.001 . 1 . . 691 . . 22 VAL HA . 25372 3 150 . 1 1 22 22 VAL HB H 1 2.029 0.002 . 1 . . 690 . . 22 VAL HB . 25372 3 151 . 1 1 22 22 VAL HG11 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG11 . 25372 3 152 . 1 1 22 22 VAL HG12 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG12 . 25372 3 153 . 1 1 22 22 VAL HG13 H 1 0.807 0.001 . 1 . . 688 . . 22 VAL HG13 . 25372 3 154 . 1 1 22 22 VAL HG21 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG21 . 25372 3 155 . 1 1 22 22 VAL HG22 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG22 . 25372 3 156 . 1 1 22 22 VAL HG23 H 1 0.943 0.001 . 1 . . 689 . . 22 VAL HG23 . 25372 3 157 . 1 1 22 22 VAL N N 15 120.224 0.0 . 1 . . 95 . . 22 VAL N . 25372 3 158 . 1 1 23 23 LEU H H 1 8.271 0.0 . 1 . . 132 . . 23 LEU H . 25372 3 159 . 1 1 23 23 LEU HA H 1 3.815 0.001 . 1 . . 624 . . 23 LEU HA . 25372 3 160 . 1 1 23 23 LEU HB2 H 1 1.865 . . 2 . . 625 . . 23 LEU HB2 . 25372 3 161 . 1 1 23 23 LEU HB3 H 1 1.504 0.002 . 2 . . 729 . . 23 LEU HB3 . 25372 3 162 . 1 1 23 23 LEU HG H 1 1.699 0.001 . 1 . . 898 . . 23 LEU HG . 25372 3 163 . 1 1 23 23 LEU HD21 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD21 . 25372 3 164 . 1 1 23 23 LEU HD22 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD22 . 25372 3 165 . 1 1 23 23 LEU HD23 H 1 0.718 0.0 . 1 . . 626 . . 23 LEU HD23 . 25372 3 166 . 1 1 23 23 LEU N N 15 120.405 0.0 . 1 . . 131 . . 23 LEU N . 25372 3 167 . 1 1 24 24 MET H H 1 8.755 0.0 . 1 . . 32 . . 24 MET H . 25372 3 168 . 1 1 24 24 MET HA H 1 4.086 0.001 . 1 . . 681 . . 24 MET HA . 25372 3 169 . 1 1 24 24 MET HB2 H 1 1.918 . . 2 . . 730 . . 24 MET HB2 . 25372 3 170 . 1 1 24 24 MET HB3 H 1 2.154 0.0 . 2 . . 731 . . 24 MET HB3 . 25372 3 171 . 1 1 24 24 MET HG2 H 1 2.639 0.001 . 2 . . 682 . . 24 MET HG2 . 25372 3 172 . 1 1 24 24 MET HG3 H 1 2.464 0.002 . 2 . . 683 . . 24 MET HG3 . 25372 3 173 . 1 1 24 24 MET N N 15 118.473 0.007 . 1 . . 31 . . 24 MET N . 25372 3 174 . 1 1 25 25 ASP H H 1 7.815 0.008 . 1 . . 104 . . 25 ASP H . 25372 3 175 . 1 1 25 25 ASP HA H 1 4.373 0.0 . 1 . . 627 . . 25 ASP HA . 25372 3 176 . 1 1 25 25 ASP HB2 H 1 2.854 0.001 . 2 . . 628 . . 25 ASP HB2 . 25372 3 177 . 1 1 25 25 ASP HB3 H 1 2.454 0.001 . 2 . . 629 . . 25 ASP HB3 . 25372 3 178 . 1 1 25 25 ASP N N 15 122.460 0.0 . 1 . . 103 . . 25 ASP N . 25372 3 179 . 1 1 26 26 ILE H H 1 8.113 0.001 . 1 . . 144 . . 26 ILE H . 25372 3 180 . 1 1 26 26 ILE HA H 1 3.408 0.001 . 1 . . 501 . . 26 ILE HA . 25372 3 181 . 1 1 26 26 ILE HB H 1 1.811 0.002 . 1 . . 733 . . 26 ILE HB . 25372 3 182 . 1 1 26 26 ILE HG12 H 1 1.683 0.0 . 2 . . 734 . . 26 ILE HG12 . 25372 3 183 . 1 1 26 26 ILE HG13 H 1 1.683 . . 2 . . 953 . . 26 ILE HG13 . 25372 3 184 . 1 1 26 26 ILE HG21 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG21 . 25372 3 185 . 1 1 26 26 ILE HG22 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG22 . 25372 3 186 . 1 1 26 26 ILE HG23 H 1 0.720 0.0 . 1 . . 502 . . 26 ILE HG23 . 25372 3 187 . 1 1 26 26 ILE HD11 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD11 . 25372 3 188 . 1 1 26 26 ILE HD12 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD12 . 25372 3 189 . 1 1 26 26 ILE HD13 H 1 0.683 0.053 . 1 . . 917 . . 26 ILE HD13 . 25372 3 190 . 1 1 26 26 ILE N N 15 120.036 0.0 . 1 . . 143 . . 26 ILE N . 25372 3 191 . 1 1 27 27 ASN H H 1 8.107 0.001 . 1 . . 34 . . 27 ASN H . 25372 3 192 . 1 1 27 27 ASN HA H 1 4.271 0.001 . 1 . . 470 . . 27 ASN HA . 25372 3 193 . 1 1 27 27 ASN HB2 H 1 2.786 0.001 . 2 . . 471 . . 27 ASN HB2 . 25372 3 194 . 1 1 27 27 ASN HB3 H 1 2.584 0.002 . 2 . . 472 . . 27 ASN HB3 . 25372 3 195 . 1 1 27 27 ASN N N 15 117.673 0.0 . 1 . . 33 . . 27 ASN N . 25372 3 196 . 1 1 28 28 LYS H H 1 7.780 0.001 . 1 . . 38 . . 28 LYS H . 25372 3 197 . 1 1 28 28 LYS HA H 1 3.937 0.001 . 1 . . 466 . . 28 LYS HA . 25372 3 198 . 1 1 28 28 LYS HB2 H 1 1.895 0.0 . 2 . . 468 . . 28 LYS HB2 . 25372 3 199 . 1 1 28 28 LYS HB3 H 1 1.845 0.003 . 2 . . 469 . . 28 LYS HB3 . 25372 3 200 . 1 1 28 28 LYS HG2 H 1 1.392 0.001 . 2 . . 464 . . 28 LYS HG2 . 25372 3 201 . 1 1 28 28 LYS HG3 H 1 1.279 0.001 . 2 . . 465 . . 28 LYS HG3 . 25372 3 202 . 1 1 28 28 LYS HD2 H 1 1.575 0.002 . 2 . . 463 . . 28 LYS HD2 . 25372 3 203 . 1 1 28 28 LYS HD3 H 1 1.576 . . 2 . . 956 . . 28 LYS HD3 . 25372 3 204 . 1 1 28 28 LYS HE2 H 1 2.836 . . 2 . . 467 . . 28 LYS HE2 . 25372 3 205 . 1 1 28 28 LYS HE3 H 1 2.836 . . 2 . . 955 . . 28 LYS HE3 . 25372 3 206 . 1 1 28 28 LYS N N 15 118.851 0.0 . 1 . . 37 . . 28 LYS N . 25372 3 207 . 1 1 29 29 ILE H H 1 7.971 0.0 . 1 . . 56 . . 29 ILE H . 25372 3 208 . 1 1 29 29 ILE HA H 1 3.672 0.001 . 1 . . 514 . . 29 ILE HA . 25372 3 209 . 1 1 29 29 ILE HB H 1 1.740 0.0 . 1 . . 515 . . 29 ILE HB . 25372 3 210 . 1 1 29 29 ILE HG12 H 1 1.562 0.001 . 2 . . 736 . . 29 ILE HG12 . 25372 3 211 . 1 1 29 29 ILE HG13 H 1 0.960 0.001 . 2 . . 737 . . 29 ILE HG13 . 25372 3 212 . 1 1 29 29 ILE HG21 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG21 . 25372 3 213 . 1 1 29 29 ILE HG22 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG22 . 25372 3 214 . 1 1 29 29 ILE HG23 H 1 0.721 0.0 . 1 . . 517 . . 29 ILE HG23 . 25372 3 215 . 1 1 29 29 ILE HD11 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD11 . 25372 3 216 . 1 1 29 29 ILE HD12 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD12 . 25372 3 217 . 1 1 29 29 ILE HD13 H 1 0.659 0.001 . 1 . . 516 . . 29 ILE HD13 . 25372 3 218 . 1 1 29 29 ILE N N 15 121.801 0.0 . 1 . . 55 . . 29 ILE N . 25372 3 219 . 1 1 30 30 ASN H H 1 7.999 0.001 . 1 . . 72 . . 30 ASN H . 25372 3 220 . 1 1 30 30 ASN HA H 1 4.523 0.0 . 1 . . 557 . . 30 ASN HA . 25372 3 221 . 1 1 30 30 ASN HB2 H 1 2.797 0.005 . 2 . . 558 . . 30 ASN HB2 . 25372 3 222 . 1 1 30 30 ASN HB3 H 1 2.693 0.002 . 2 . . 559 . . 30 ASN HB3 . 25372 3 223 . 1 1 30 30 ASN N N 15 117.763 0.0 . 1 . . 71 . . 30 ASN N . 25372 3 224 . 1 1 31 31 GLY H H 1 7.848 0.001 . 1 . . 6 . . 31 GLY H . 25372 3 225 . 1 1 31 31 GLY HA2 H 1 3.945 0.016 . 2 . . 590 . . 31 GLY HA2 . 25372 3 226 . 1 1 31 31 GLY HA3 H 1 3.707 . . 2 . . 591 . . 31 GLY HA3 . 25372 3 227 . 1 1 31 31 GLY N N 15 109.207 0.0 . 1 . . 5 . . 31 GLY N . 25372 3 228 . 1 1 32 32 GLY H H 1 8.298 0.0 . 1 . . 4 . . 32 GLY H . 25372 3 229 . 1 1 32 32 GLY HA2 H 1 3.852 0.002 . 2 . . 497 . . 32 GLY HA2 . 25372 3 230 . 1 1 32 32 GLY HA3 H 1 3.729 0.003 . 2 . . 498 . . 32 GLY HA3 . 25372 3 231 . 1 1 32 32 GLY N N 15 108.057 0.0 . 1 . . 3 . . 32 GLY N . 25372 3 232 . 1 1 33 33 ASP H H 1 8.151 0.001 . 1 . . 102 . . 33 ASP H . 25372 3 233 . 1 1 33 33 ASP HA H 1 4.623 0.002 . 1 . . 670 . . 33 ASP HA . 25372 3 234 . 1 1 33 33 ASP HB2 H 1 2.882 0.001 . 2 . . 671 . . 33 ASP HB2 . 25372 3 235 . 1 1 33 33 ASP HB3 H 1 2.664 0.001 . 2 . . 672 . . 33 ASP HB3 . 25372 3 236 . 1 1 33 33 ASP N N 15 120.233 0.0 . 1 . . 101 . . 33 ASP N . 25372 3 237 . 1 1 34 34 SER H H 1 8.435 0.001 . 1 . . 46 . . 34 SER H . 25372 3 238 . 1 1 34 34 SER HA H 1 4.145 0.001 . 1 . . 577 . . 34 SER HA . 25372 3 239 . 1 1 34 34 SER HB2 H 1 3.858 0.0 . 2 . . 578 . . 34 SER HB2 . 25372 3 240 . 1 1 34 34 SER HB3 H 1 3.799 0.0 . 2 . . 579 . . 34 SER HB3 . 25372 3 241 . 1 1 34 34 SER N N 15 116.098 0.0 . 1 . . 45 . . 34 SER N . 25372 3 242 . 1 1 35 35 THR H H 1 8.225 0.0 . 1 . . 24 . . 35 THR H . 25372 3 243 . 1 1 35 35 THR HA H 1 4.089 0.001 . 1 . . 608 . . 35 THR HA . 25372 3 244 . 1 1 35 35 THR HB H 1 4.155 0.002 . 1 . . 738 . . 35 THR HB . 25372 3 245 . 1 1 35 35 THR HG21 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG21 . 25372 3 246 . 1 1 35 35 THR HG22 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG22 . 25372 3 247 . 1 1 35 35 THR HG23 H 1 1.105 0.003 . 1 . . 609 . . 35 THR HG23 . 25372 3 248 . 1 1 35 35 THR N N 15 119.074 0.0 . 1 . . 23 . . 35 THR N . 25372 3 249 . 1 1 36 36 THR H H 1 8.002 0.0 . 1 . . 100 . . 36 THR H . 25372 3 250 . 1 1 36 36 THR HA H 1 3.989 0.0 . 1 . . 630 . . 36 THR HA . 25372 3 251 . 1 1 36 36 THR HB H 1 4.251 0.001 . 1 . . 739 . . 36 THR HB . 25372 3 252 . 1 1 36 36 THR HG21 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG21 . 25372 3 253 . 1 1 36 36 THR HG22 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG22 . 25372 3 254 . 1 1 36 36 THR HG23 H 1 1.119 0.002 . 1 . . 631 . . 36 THR HG23 . 25372 3 255 . 1 1 36 36 THR N N 15 116.971 0.0 . 1 . . 99 . . 36 THR N . 25372 3 256 . 1 1 37 37 ALA H H 1 8.094 0.001 . 1 . . 142 . . 37 ALA H . 25372 3 257 . 1 1 37 37 ALA HA H 1 3.835 0.0 . 1 . . 549 . . 37 ALA HA . 25372 3 258 . 1 1 37 37 ALA HB1 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB1 . 25372 3 259 . 1 1 37 37 ALA HB2 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB2 . 25372 3 260 . 1 1 37 37 ALA HB3 H 1 1.358 0.001 . 1 . . 550 . . 37 ALA HB3 . 25372 3 261 . 1 1 37 37 ALA N N 15 124.516 0.0 . 1 . . 141 . . 37 ALA N . 25372 3 262 . 1 1 38 38 GLU H H 1 7.915 0.002 . 1 . . 98 . . 38 GLU H . 25372 3 263 . 1 1 38 38 GLU HA H 1 3.860 0.001 . 1 . . 566 . . 38 GLU HA . 25372 3 264 . 1 1 38 38 GLU HB2 H 1 2.000 0.003 . 2 . . 568 . . 38 GLU HB2 . 25372 3 265 . 1 1 38 38 GLU HB3 H 1 1.938 0.0 . 2 . . 742 . . 38 GLU HB3 . 25372 3 266 . 1 1 38 38 GLU HG2 H 1 2.235 0.002 . 2 . . 567 . . 38 GLU HG2 . 25372 3 267 . 1 1 38 38 GLU HG3 H 1 2.235 . . 2 . . 957 . . 38 GLU HG3 . 25372 3 268 . 1 1 38 38 GLU N N 15 117.359 0.0 . 1 . . 97 . . 38 GLU N . 25372 3 269 . 1 1 39 39 LYS H H 1 7.466 0.0 . 1 . . 8 . . 39 LYS H . 25372 3 270 . 1 1 39 39 LYS HA H 1 3.895 0.0 . 1 . . 853 . . 39 LYS HA . 25372 3 271 . 1 1 39 39 LYS HB2 H 1 1.836 0.001 . 2 . . 852 . . 39 LYS HB2 . 25372 3 272 . 1 1 39 39 LYS HB3 H 1 1.715 0.001 . 2 . . 854 . . 39 LYS HB3 . 25372 3 273 . 1 1 39 39 LYS HG2 H 1 1.438 0.002 . 2 . . 855 . . 39 LYS HG2 . 25372 3 274 . 1 1 39 39 LYS HG3 H 1 1.263 0.001 . 2 . . 912 . . 39 LYS HG3 . 25372 3 275 . 1 1 39 39 LYS HE2 H 1 2.798 . . 2 . . 913 . . 39 LYS HE2 . 25372 3 276 . 1 1 39 39 LYS HE3 H 1 2.798 . . 2 . . 978 . . 39 LYS HE3 . 25372 3 277 . 1 1 39 39 LYS N N 15 119.113 . . 1 . . 7 . . 39 LYS N . 25372 3 278 . 1 1 40 40 MET H H 1 8.001 0.0 . 1 . . 124 . . 40 MET H . 25372 3 279 . 1 1 40 40 MET HA H 1 4.136 0.001 . 1 . . 856 . . 40 MET HA . 25372 3 280 . 1 1 40 40 MET HB2 H 1 2.512 0.0 . 2 . . 857 . . 40 MET HB2 . 25372 3 281 . 1 1 40 40 MET HB3 H 1 2.482 0.0 . 2 . . 858 . . 40 MET HB3 . 25372 3 282 . 1 1 40 40 MET HG2 H 1 2.164 . . 2 . . 859 . . 40 MET HG2 . 25372 3 283 . 1 1 40 40 MET HG3 H 1 1.676 0.001 . 2 . . 860 . . 40 MET HG3 . 25372 3 284 . 1 1 40 40 MET N N 15 119.018 0.0 . 1 . . 123 . . 40 MET N . 25372 3 285 . 1 1 41 41 LYS H H 1 7.813 0.0 . 1 . . 22 . . 41 LYS H . 25372 3 286 . 1 1 41 41 LYS HA H 1 3.779 0.0 . 1 . . 869 . . 41 LYS HA . 25372 3 287 . 1 1 41 41 LYS HB2 H 1 1.838 0.003 . 2 . . 868 . . 41 LYS HB2 . 25372 3 288 . 1 1 41 41 LYS HB3 H 1 1.838 . . 2 . . 958 . . 41 LYS HB3 . 25372 3 289 . 1 1 41 41 LYS HG2 H 1 1.264 . . 2 . . 865 . . 41 LYS HG2 . 25372 3 290 . 1 1 41 41 LYS HG3 H 1 1.369 0.001 . 2 . . 866 . . 41 LYS HG3 . 25372 3 291 . 1 1 41 41 LYS HD2 H 1 1.543 0.002 . 2 . . 867 . . 41 LYS HD2 . 25372 3 292 . 1 1 41 41 LYS HD3 H 1 1.543 . . 2 . . 959 . . 41 LYS HD3 . 25372 3 293 . 1 1 41 41 LYS N N 15 120.587 0.0 . 1 . . 21 . . 41 LYS N . 25372 3 294 . 1 1 42 42 VAL H H 1 7.441 0.001 . 1 . . 138 . . 42 VAL H . 25372 3 295 . 1 1 42 42 VAL HA H 1 3.510 0.001 . 1 . . 863 . . 42 VAL HA . 25372 3 296 . 1 1 42 42 VAL HB H 1 2.009 0.001 . 1 . . 864 . . 42 VAL HB . 25372 3 297 . 1 1 42 42 VAL HG11 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG11 . 25372 3 298 . 1 1 42 42 VAL HG12 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG12 . 25372 3 299 . 1 1 42 42 VAL HG13 H 1 0.825 0.0 . 1 . . 784 . . 42 VAL HG13 . 25372 3 300 . 1 1 42 42 VAL HG21 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG21 . 25372 3 301 . 1 1 42 42 VAL HG22 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG22 . 25372 3 302 . 1 1 42 42 VAL HG23 H 1 0.955 0.001 . 1 . . 785 . . 42 VAL HG23 . 25372 3 303 . 1 1 42 42 VAL N N 15 118.972 0.001 . 1 . . 137 . . 42 VAL N . 25372 3 304 . 1 1 43 43 HIS H H 1 7.958 0.001 . 1 . . 862 . . 43 HIS H . 25372 3 305 . 1 1 43 43 HIS HA H 1 4.300 0.002 . 1 . . 507 . . 43 HIS HA . 25372 3 306 . 1 1 43 43 HIS HB2 H 1 3.091 0.0 . 2 . . 508 . . 43 HIS HB2 . 25372 3 307 . 1 1 43 43 HIS HB3 H 1 3.091 . . 2 . . 960 . . 43 HIS HB3 . 25372 3 308 . 1 1 43 43 HIS HD1 H 1 6.654 0.0 . 1 . . 888 . . 43 HIS HD1 . 25372 3 309 . 1 1 43 43 HIS N N 15 120.748 0.027 . 1 . . 861 . . 43 HIS N . 25372 3 310 . 1 1 44 44 ALA H H 1 8.483 0.0 . 1 . . 112 . . 44 ALA H . 25372 3 311 . 1 1 44 44 ALA HA H 1 3.780 0.001 . 1 . . 635 . . 44 ALA HA . 25372 3 312 . 1 1 44 44 ALA HB1 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB1 . 25372 3 313 . 1 1 44 44 ALA HB2 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB2 . 25372 3 314 . 1 1 44 44 ALA HB3 H 1 1.368 0.001 . 1 . . 636 . . 44 ALA HB3 . 25372 3 315 . 1 1 44 44 ALA N N 15 121.706 0.0 . 1 . . 111 . . 44 ALA N . 25372 3 316 . 1 1 45 45 LYS H H 1 7.849 0.001 . 1 . . 92 . . 45 LYS H . 25372 3 317 . 1 1 45 45 LYS HA H 1 3.955 0.001 . 1 . . 478 . . 45 LYS HA . 25372 3 318 . 1 1 45 45 LYS HB2 H 1 1.806 0.001 . 2 . . 480 . . 45 LYS HB2 . 25372 3 319 . 1 1 45 45 LYS HB3 H 1 1.806 . . 2 . . 961 . . 45 LYS HB3 . 25372 3 320 . 1 1 45 45 LYS HG2 H 1 1.320 . . 2 . . 482 . . 45 LYS HG2 . 25372 3 321 . 1 1 45 45 LYS HG3 H 1 1.320 . . 2 . . 963 . . 45 LYS HG3 . 25372 3 322 . 1 1 45 45 LYS HD2 H 1 1.536 0.002 . 2 . . 481 . . 45 LYS HD2 . 25372 3 323 . 1 1 45 45 LYS HD3 H 1 1.537 . . 2 . . 962 . . 45 LYS HD3 . 25372 3 324 . 1 1 45 45 LYS HE2 H 1 2.802 0.003 . 2 . . 479 . . 45 LYS HE2 . 25372 3 325 . 1 1 45 45 LYS HE3 H 1 2.802 . . 2 . . 743 . . 45 LYS HE3 . 25372 3 326 . 1 1 45 45 LYS N N 15 115.901 0.0 . 1 . . 91 . . 45 LYS N . 25372 3 327 . 1 1 46 46 SER H H 1 8.525 0.0 . 1 . . 134 . . 46 SER H . 25372 3 328 . 1 1 46 46 SER HA H 1 4.147 0.001 . 1 . . 637 . . 46 SER HA . 25372 3 329 . 1 1 46 46 SER HB2 H 1 3.913 0.001 . 2 . . 638 . . 46 SER HB2 . 25372 3 330 . 1 1 46 46 SER HB3 H 1 3.850 0.001 . 2 . . 639 . . 46 SER HB3 . 25372 3 331 . 1 1 46 46 SER N N 15 116.604 0.0 . 1 . . 133 . . 46 SER N . 25372 3 332 . 1 1 47 47 PHE H H 1 8.615 0.0 . 1 . . 30 . . 47 PHE H . 25372 3 333 . 1 1 47 47 PHE HA H 1 4.013 0.001 . 1 . . 789 . . 47 PHE HA . 25372 3 334 . 1 1 47 47 PHE HB2 H 1 2.911 0.001 . 2 . . 787 . . 47 PHE HB2 . 25372 3 335 . 1 1 47 47 PHE HB3 H 1 2.845 0.001 . 2 . . 788 . . 47 PHE HB3 . 25372 3 336 . 1 1 47 47 PHE HD1 H 1 6.943 0.0 . 1 . . 882 . . 47 PHE HD1 . 25372 3 337 . 1 1 47 47 PHE HD2 H 1 6.943 0.0 . 1 . . 882 . . 47 PHE HD2 . 25372 3 338 . 1 1 47 47 PHE HE1 H 1 7.198 0.001 . 1 . . 883 . . 47 PHE HE1 . 25372 3 339 . 1 1 47 47 PHE HE2 H 1 7.198 0.001 . 1 . . 883 . . 47 PHE HE2 . 25372 3 340 . 1 1 47 47 PHE N N 15 124.046 0.0 . 1 . . 29 . . 47 PHE N . 25372 3 341 . 1 1 48 48 GLU H H 1 7.783 0.001 . 1 . . 845 . . 48 GLU H . 25372 3 342 . 1 1 48 48 GLU HA H 1 3.610 0.0 . 1 . . 539 . . 48 GLU HA . 25372 3 343 . 1 1 48 48 GLU HB2 H 1 1.604 . . 2 . . 538 . . 48 GLU HB2 . 25372 3 344 . 1 1 48 48 GLU HB3 H 1 1.604 0.0 . 2 . . 873 . . 48 GLU HB3 . 25372 3 345 . 1 1 48 48 GLU HG2 H 1 2.265 0.001 . 2 . . 537 . . 48 GLU HG2 . 25372 3 346 . 1 1 48 48 GLU HG3 H 1 2.568 0.001 . 2 . . 872 . . 48 GLU HG3 . 25372 3 347 . 1 1 48 48 GLU N N 15 119.877 0.01 . 1 . . 846 . . 48 GLU N . 25372 3 348 . 1 1 49 49 ALA H H 1 7.925 0.001 . 1 . . 126 . . 49 ALA H . 25372 3 349 . 1 1 49 49 ALA HA H 1 3.698 0.001 . 1 . . 526 . . 49 ALA HA . 25372 3 350 . 1 1 49 49 ALA HB1 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB1 . 25372 3 351 . 1 1 49 49 ALA HB2 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB2 . 25372 3 352 . 1 1 49 49 ALA HB3 H 1 1.379 0.002 . 1 . . 527 . . 49 ALA HB3 . 25372 3 353 . 1 1 49 49 ALA N N 15 120.216 0.0 . 1 . . 125 . . 49 ALA N . 25372 3 354 . 1 1 50 50 ALA H H 1 7.854 0.001 . 1 . . 155 . . 50 ALA H . 25372 3 355 . 1 1 50 50 ALA HA H 1 4.031 . . 1 . . 476 . . 50 ALA HA . 25372 3 356 . 1 1 50 50 ALA HB1 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB1 . 25372 3 357 . 1 1 50 50 ALA HB2 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB2 . 25372 3 358 . 1 1 50 50 ALA HB3 H 1 1.259 0.001 . 1 . . 477 . . 50 ALA HB3 . 25372 3 359 . 1 1 50 50 ALA N N 15 120.831 0.0 . 1 . . 156 . . 50 ALA N . 25372 3 360 . 1 1 51 51 LEU H H 1 7.622 0.0 . 1 . . 84 . . 51 LEU H . 25372 3 361 . 1 1 51 51 LEU HA H 1 3.886 0.001 . 1 . . 569 . . 51 LEU HA . 25372 3 362 . 1 1 51 51 LEU HB2 H 1 1.549 0.001 . 2 . . 570 . . 51 LEU HB2 . 25372 3 363 . 1 1 51 51 LEU HB3 H 1 1.220 0.002 . 2 . . 572 . . 51 LEU HB3 . 25372 3 364 . 1 1 51 51 LEU HG H 1 1.465 0.001 . 1 . . 571 . . 51 LEU HG . 25372 3 365 . 1 1 51 51 LEU HD11 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD11 . 25372 3 366 . 1 1 51 51 LEU HD12 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD12 . 25372 3 367 . 1 1 51 51 LEU HD13 H 1 0.677 0.001 . 1 . . 573 . . 51 LEU HD13 . 25372 3 368 . 1 1 51 51 LEU HD21 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD21 . 25372 3 369 . 1 1 51 51 LEU HD22 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD22 . 25372 3 370 . 1 1 51 51 LEU HD23 H 1 0.633 0.001 . 1 . . 574 . . 51 LEU HD23 . 25372 3 371 . 1 1 51 51 LEU N N 15 119.849 0.0 . 1 . . 83 . . 51 LEU N . 25372 3 372 . 1 1 52 52 PHE H H 1 9.038 0.0 . 1 . . 26 . . 52 PHE H . 25372 3 373 . 1 1 52 52 PHE HA H 1 3.779 0.001 . 1 . . 645 . . 52 PHE HA . 25372 3 374 . 1 1 52 52 PHE HB2 H 1 3.119 0.0 . 2 . . 646 . . 52 PHE HB2 . 25372 3 375 . 1 1 52 52 PHE HB3 H 1 2.983 0.0 . 2 . . 647 . . 52 PHE HB3 . 25372 3 376 . 1 1 52 52 PHE HD1 H 1 6.460 0.002 . 1 . . 886 . . 52 PHE HD1 . 25372 3 377 . 1 1 52 52 PHE HD2 H 1 6.460 0.002 . 1 . . 886 . . 52 PHE HD2 . 25372 3 378 . 1 1 52 52 PHE HE1 H 1 6.954 0.0 . 1 . . 885 . . 52 PHE HE1 . 25372 3 379 . 1 1 52 52 PHE HE2 H 1 6.954 0.0 . 1 . . 885 . . 52 PHE HE2 . 25372 3 380 . 1 1 52 52 PHE N N 15 122.976 0.0 . 1 . . 25 . . 52 PHE N . 25372 3 381 . 1 1 53 53 GLU H H 1 8.099 0.001 . 1 . . 36 . . 53 GLU H . 25372 3 382 . 1 1 53 53 GLU HA H 1 3.651 0.028 . 1 . . 483 . . 53 GLU HA . 25372 3 383 . 1 1 53 53 GLU HB2 H 1 2.025 0.002 . 2 . . 485 . . 53 GLU HB2 . 25372 3 384 . 1 1 53 53 GLU HB3 H 1 1.955 0.002 . 2 . . 486 . . 53 GLU HB3 . 25372 3 385 . 1 1 53 53 GLU HG2 H 1 2.223 0.002 . 2 . . 484 . . 53 GLU HG2 . 25372 3 386 . 1 1 53 53 GLU HG3 H 1 2.255 0.001 . 2 . . 790 . . 53 GLU HG3 . 25372 3 387 . 1 1 53 53 GLU N N 15 117.896 0.0 . 1 . . 35 . . 53 GLU N . 25372 3 388 . 1 1 54 54 LYS H H 1 7.597 0.001 . 1 . . 50 . . 54 LYS H . 25372 3 389 . 1 1 54 54 LYS HA H 1 4.037 0.0 . 1 . . 580 . . 54 LYS HA . 25372 3 390 . 1 1 54 54 LYS HB2 H 1 1.745 0.001 . 2 . . 582 . . 54 LYS HB2 . 25372 3 391 . 1 1 54 54 LYS HB3 H 1 1.687 0.002 . 2 . . 583 . . 54 LYS HB3 . 25372 3 392 . 1 1 54 54 LYS HG2 H 1 1.454 0.001 . 2 . . 584 . . 54 LYS HG2 . 25372 3 393 . 1 1 54 54 LYS HG3 H 1 1.337 0.0 . 2 . . 585 . . 54 LYS HG3 . 25372 3 394 . 1 1 54 54 LYS HE2 H 1 2.776 . . 2 . . 581 . . 54 LYS HE2 . 25372 3 395 . 1 1 54 54 LYS HE3 H 1 2.776 . . 2 . . 964 . . 54 LYS HE3 . 25372 3 396 . 1 1 54 54 LYS N N 15 114.936 0.0 . 1 . . 49 . . 54 LYS N . 25372 3 397 . 1 1 55 55 SER H H 1 7.370 0.001 . 1 . . 106 . . 55 SER H . 25372 3 398 . 1 1 55 55 SER HA H 1 4.210 0.001 . 1 . . 655 . . 55 SER HA . 25372 3 399 . 1 1 55 55 SER HB2 H 1 3.727 0.001 . 2 . . 656 . . 55 SER HB2 . 25372 3 400 . 1 1 55 55 SER HB3 H 1 3.727 . . 2 . . 965 . . 55 SER HB3 . 25372 3 401 . 1 1 55 55 SER N N 15 116.124 0.0 . 1 . . 105 . . 55 SER N . 25372 3 402 . 1 1 56 56 SER H H 1 9.081 0.001 . 1 . . 118 . . 56 SER H . 25372 3 403 . 1 1 56 56 SER HA H 1 4.365 0.001 . 1 . . 499 . . 56 SER HA . 25372 3 404 . 1 1 56 56 SER HB2 H 1 3.819 0.001 . 2 . . 500 . . 56 SER HB2 . 25372 3 405 . 1 1 56 56 SER HB3 H 1 3.846 0.0 . 2 . . 791 . . 56 SER HB3 . 25372 3 406 . 1 1 56 56 SER N N 15 116.796 0.0 . 1 . . 117 . . 56 SER N . 25372 3 407 . 1 1 57 57 SER H H 1 7.334 0.0 . 1 . . 64 . . 57 SER H . 25372 3 408 . 1 1 57 57 SER HA H 1 4.571 0.001 . 1 . . 614 . . 57 SER HA . 25372 3 409 . 1 1 57 57 SER HB2 H 1 4.243 0.001 . 2 . . 615 . . 57 SER HB2 . 25372 3 410 . 1 1 57 57 SER HB3 H 1 3.924 0.0 . 2 . . 616 . . 57 SER HB3 . 25372 3 411 . 1 1 57 57 SER N N 15 111.976 . . 1 . . 63 . . 57 SER N . 25372 3 412 . 1 1 58 58 LYS H H 1 8.756 0.001 . 1 . . 2 . . 58 LYS H . 25372 3 413 . 1 1 58 58 LYS HA H 1 3.824 0.001 . 1 . . 604 . . 58 LYS HA . 25372 3 414 . 1 1 58 58 LYS HB2 H 1 1.531 . . 2 . . 606 . . 58 LYS HB2 . 25372 3 415 . 1 1 58 58 LYS HB3 H 1 1.564 0.001 . 2 . . 792 . . 58 LYS HB3 . 25372 3 416 . 1 1 58 58 LYS HG2 H 1 1.204 0.002 . 2 . . 607 . . 58 LYS HG2 . 25372 3 417 . 1 1 58 58 LYS HG3 H 1 1.204 . . 2 . . 924 . . 58 LYS HG3 . 25372 3 418 . 1 1 58 58 LYS HE2 H 1 2.806 0.001 . 2 . . 605 . . 58 LYS HE2 . 25372 3 419 . 1 1 58 58 LYS HE3 H 1 2.806 . . 2 . . 967 . . 58 LYS HE3 . 25372 3 420 . 1 1 58 58 LYS N N 15 122.534 0.003 . 1 . . 1 . . 58 LYS N . 25372 3 421 . 1 1 59 59 GLU H H 1 9.101 0.001 . 1 . . 82 . . 59 GLU H . 25372 3 422 . 1 1 59 59 GLU HA H 1 3.924 . . 1 . . 587 . . 59 GLU HA . 25372 3 423 . 1 1 59 59 GLU HB2 H 1 2.029 0.0 . 2 . . 874 . . 59 GLU HB2 . 25372 3 424 . 1 1 59 59 GLU HB3 H 1 1.772 0.0 . 2 . . 875 . . 59 GLU HB3 . 25372 3 425 . 1 1 59 59 GLU HG2 H 1 2.373 0.0 . 2 . . 588 . . 59 GLU HG2 . 25372 3 426 . 1 1 59 59 GLU HG3 H 1 2.129 . . 2 . . 589 . . 59 GLU HG3 . 25372 3 427 . 1 1 59 59 GLU N N 15 119.776 0.0 . 1 . . 81 . . 59 GLU N . 25372 3 428 . 1 1 60 60 GLU H H 1 7.988 0.001 . 1 . . 48 . . 60 GLU H . 25372 3 429 . 1 1 60 60 GLU HA H 1 3.925 0.001 . 1 . . 877 . . 60 GLU HA . 25372 3 430 . 1 1 60 60 GLU HB2 H 1 1.946 0.001 . 2 . . 876 . . 60 GLU HB2 . 25372 3 431 . 1 1 60 60 GLU HB3 H 1 1.946 . . 2 . . 966 . . 60 GLU HB3 . 25372 3 432 . 1 1 60 60 GLU HG2 H 1 2.091 0.001 . 2 . . 878 . . 60 GLU HG2 . 25372 3 433 . 1 1 60 60 GLU HG3 H 1 2.182 0.001 . 2 . . 879 . . 60 GLU HG3 . 25372 3 434 . 1 1 60 60 GLU N N 15 120.508 0.0 . 1 . . 47 . . 60 GLU N . 25372 3 435 . 1 1 61 61 TYR H H 1 7.760 0.001 . 1 . . 793 . . 61 TYR H . 25372 3 436 . 1 1 61 61 TYR HA H 1 3.927 0.0 . 1 . . 528 . . 61 TYR HA . 25372 3 437 . 1 1 61 61 TYR HB2 H 1 3.041 0.0 . 2 . . 529 . . 61 TYR HB2 . 25372 3 438 . 1 1 61 61 TYR HB3 H 1 2.978 0.0 . 2 . . 530 . . 61 TYR HB3 . 25372 3 439 . 1 1 61 61 TYR HD1 H 1 6.783 0.001 . 1 . . 887 . . 61 TYR HD1 . 25372 3 440 . 1 1 61 61 TYR HD2 H 1 6.783 0.001 . 1 . . 887 . . 61 TYR HD2 . 25372 3 441 . 1 1 61 61 TYR HE1 H 1 6.673 0.001 . 1 . . 940 . . 61 TYR HE1 . 25372 3 442 . 1 1 61 61 TYR HE2 H 1 6.673 0.001 . 1 . . 940 . . 61 TYR HE2 . 25372 3 443 . 1 1 61 61 TYR N N 15 121.345 0.001 . 1 . . 880 . . 61 TYR N . 25372 3 444 . 1 1 62 62 GLN H H 1 8.462 0.001 . 1 . . 18 . . 62 GLN H . 25372 3 445 . 1 1 62 62 GLN HA H 1 3.515 0.001 . 1 . . 640 . . 62 GLN HA . 25372 3 446 . 1 1 62 62 GLN HB2 H 1 2.124 0.0 . 2 . . 643 . . 62 GLN HB2 . 25372 3 447 . 1 1 62 62 GLN HB3 H 1 1.913 0.0 . 2 . . 644 . . 62 GLN HB3 . 25372 3 448 . 1 1 62 62 GLN HG2 H 1 2.561 0.0 . 2 . . 641 . . 62 GLN HG2 . 25372 3 449 . 1 1 62 62 GLN HG3 H 1 2.386 0.0 . 2 . . 642 . . 62 GLN HG3 . 25372 3 450 . 1 1 62 62 GLN N N 15 117.640 0.065 . 1 . . 17 . . 62 GLN N . 25372 3 451 . 1 1 63 63 LYS H H 1 8.221 0.001 . 1 . . 152 . . 63 LYS H . 25372 3 452 . 1 1 63 63 LYS HA H 1 3.917 0.0 . 1 . . 661 . . 63 LYS HA . 25372 3 453 . 1 1 63 63 LYS HB2 H 1 1.815 0.0 . 2 . . 663 . . 63 LYS HB2 . 25372 3 454 . 1 1 63 63 LYS HB3 H 1 1.739 0.001 . 2 . . 664 . . 63 LYS HB3 . 25372 3 455 . 1 1 63 63 LYS HG2 H 1 1.434 0.0 . 2 . . 666 . . 63 LYS HG2 . 25372 3 456 . 1 1 63 63 LYS HG3 H 1 1.291 0.001 . 2 . . 667 . . 63 LYS HG3 . 25372 3 457 . 1 1 63 63 LYS HD2 H 1 1.512 0.003 . 2 . . 665 . . 63 LYS HD2 . 25372 3 458 . 1 1 63 63 LYS HD3 H 1 1.512 . . 2 . . 969 . . 63 LYS HD3 . 25372 3 459 . 1 1 63 63 LYS HE2 H 1 2.792 0.001 . 2 . . 662 . . 63 LYS HE2 . 25372 3 460 . 1 1 63 63 LYS HE3 H 1 2.792 . . 2 . . 968 . . 63 LYS HE3 . 25372 3 461 . 1 1 63 63 LYS N N 15 119.538 0.016 . 1 . . 151 . . 63 LYS N . 25372 3 462 . 1 1 64 64 THR H H 1 8.164 0.001 . 1 . . 76 . . 64 THR H . 25372 3 463 . 1 1 64 64 THR HA H 1 3.862 0.0 . 1 . . 461 . . 64 THR HA . 25372 3 464 . 1 1 64 64 THR HB H 1 4.044 0.001 . 1 . . 745 . . 64 THR HB . 25372 3 465 . 1 1 64 64 THR HG21 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG21 . 25372 3 466 . 1 1 64 64 THR HG22 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG22 . 25372 3 467 . 1 1 64 64 THR HG23 H 1 1.172 0.001 . 1 . . 462 . . 64 THR HG23 . 25372 3 468 . 1 1 64 64 THR N N 15 116.886 0.0 . 1 . . 75 . . 64 THR N . 25372 3 469 . 1 1 65 65 MET H H 1 8.376 0.001 . 1 . . 116 . . 65 MET H . 25372 3 470 . 1 1 65 65 MET HA H 1 4.125 0.001 . 1 . . 473 . . 65 MET HA . 25372 3 471 . 1 1 65 65 MET HB2 H 1 1.682 0.0 . 2 . . 475 . . 65 MET HB2 . 25372 3 472 . 1 1 65 65 MET HB3 H 1 1.363 0.001 . 2 . . 938 . . 65 MET HB3 . 25372 3 473 . 1 1 65 65 MET HG2 H 1 2.392 0.002 . 2 . . 474 . . 65 MET HG2 . 25372 3 474 . 1 1 65 65 MET HG3 H 1 2.024 0.001 . 2 . . 908 . . 65 MET HG3 . 25372 3 475 . 1 1 65 65 MET N N 15 123.331 0.006 . 1 . . 115 . . 65 MET N . 25372 3 476 . 1 1 66 66 LYS H H 1 7.738 0.001 . 1 . . 130 . . 66 LYS H . 25372 3 477 . 1 1 66 66 LYS HA H 1 3.795 0.001 . 1 . . 551 . . 66 LYS HA . 25372 3 478 . 1 1 66 66 LYS HB2 H 1 1.740 0.0 . 2 . . 553 . . 66 LYS HB2 . 25372 3 479 . 1 1 66 66 LYS HB3 H 1 1.772 0.001 . 2 . . 746 . . 66 LYS HB3 . 25372 3 480 . 1 1 66 66 LYS HG2 H 1 1.275 0.001 . 2 . . 555 . . 66 LYS HG2 . 25372 3 481 . 1 1 66 66 LYS HG3 H 1 1.317 0.003 . 2 . . 795 . . 66 LYS HG3 . 25372 3 482 . 1 1 66 66 LYS HD2 H 1 1.479 . . 2 . . 554 . . 66 LYS HD2 . 25372 3 483 . 1 1 66 66 LYS HD3 H 1 1.573 0.0 . 2 . . 899 . . 66 LYS HD3 . 25372 3 484 . 1 1 66 66 LYS HE2 H 1 2.867 0.01 . 2 . . 552 . . 66 LYS HE2 . 25372 3 485 . 1 1 66 66 LYS HE3 H 1 2.731 . . 2 . . 794 . . 66 LYS HE3 . 25372 3 486 . 1 1 66 66 LYS N N 15 118.739 0.0 . 1 . . 129 . . 66 LYS N . 25372 3 487 . 1 1 67 67 SER H H 1 7.883 0.0 . 1 . . 28 . . 67 SER H . 25372 3 488 . 1 1 67 67 SER HA H 1 4.135 . . 1 . . 518 . . 67 SER HA . 25372 3 489 . 1 1 67 67 SER HB2 H 1 3.896 0.0 . 2 . . 519 . . 67 SER HB2 . 25372 3 490 . 1 1 67 67 SER HB3 H 1 3.861 0.001 . 2 . . 796 . . 67 SER HB3 . 25372 3 491 . 1 1 67 67 SER N N 15 113.100 0.0 . 1 . . 27 . . 67 SER N . 25372 3 492 . 1 1 68 68 LYS H H 1 7.930 0.008 . 1 . . 78 . . 68 LYS H . 25372 3 493 . 1 1 68 68 LYS HA H 1 4.078 0.0 . 1 . . 560 . . 68 LYS HA . 25372 3 494 . 1 1 68 68 LYS HB2 H 1 1.948 0.0 . 2 . . 561 . . 68 LYS HB2 . 25372 3 495 . 1 1 68 68 LYS HB3 H 1 1.836 0.004 . 2 . . 562 . . 68 LYS HB3 . 25372 3 496 . 1 1 68 68 LYS HG2 H 1 0.886 . . 2 . . 563 . . 68 LYS HG2 . 25372 3 497 . 1 1 68 68 LYS HG3 H 1 0.806 0.0 . 2 . . 564 . . 68 LYS HG3 . 25372 3 498 . 1 1 68 68 LYS HD2 H 1 1.250 . . 2 . . 565 . . 68 LYS HD2 . 25372 3 499 . 1 1 68 68 LYS HD3 H 1 1.510 . . 2 . . 747 . . 68 LYS HD3 . 25372 3 500 . 1 1 68 68 LYS N N 15 122.926 0.0 . 1 . . 77 . . 68 LYS N . 25372 3 501 . 1 1 69 69 ILE H H 1 8.068 0.0 . 1 . . 74 . . 69 ILE H . 25372 3 502 . 1 1 69 69 ILE HA H 1 3.300 0.001 . 1 . . 632 . . 69 ILE HA . 25372 3 503 . 1 1 69 69 ILE HB H 1 1.727 0.001 . 1 . . 633 . . 69 ILE HB . 25372 3 504 . 1 1 69 69 ILE HG12 H 1 1.679 . . 2 . . 748 . . 69 ILE HG12 . 25372 3 505 . 1 1 69 69 ILE HG13 H 1 1.676 0.001 . 2 . . 797 . . 69 ILE HG13 . 25372 3 506 . 1 1 69 69 ILE HG21 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG21 . 25372 3 507 . 1 1 69 69 ILE HG22 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG22 . 25372 3 508 . 1 1 69 69 ILE HG23 H 1 0.750 0.0 . 1 . . 634 . . 69 ILE HG23 . 25372 3 509 . 1 1 69 69 ILE HD11 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD11 . 25372 3 510 . 1 1 69 69 ILE HD12 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD12 . 25372 3 511 . 1 1 69 69 ILE HD13 H 1 0.560 0.0 . 1 . . 921 . . 69 ILE HD13 . 25372 3 512 . 1 1 69 69 ILE N N 15 120.655 0.0 . 1 . . 73 . . 69 ILE N . 25372 3 513 . 1 1 70 70 ASP H H 1 8.682 0.0 . 1 . . 40 . . 70 ASP H . 25372 3 514 . 1 1 70 70 ASP HA H 1 4.207 0.001 . 1 . . 494 . . 70 ASP HA . 25372 3 515 . 1 1 70 70 ASP HB2 H 1 2.636 0.002 . 2 . . 495 . . 70 ASP HB2 . 25372 3 516 . 1 1 70 70 ASP HB3 H 1 2.478 0.001 . 2 . . 496 . . 70 ASP HB3 . 25372 3 517 . 1 1 70 70 ASP N N 15 120.064 0.0 . 1 . . 39 . . 70 ASP N . 25372 3 518 . 1 1 71 71 ALA H H 1 8.072 0.0 . 1 . . 42 . . 71 ALA H . 25372 3 519 . 1 1 71 71 ALA HA H 1 4.060 0.001 . 1 . . 623 . . 71 ALA HA . 25372 3 520 . 1 1 71 71 ALA HB1 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB1 . 25372 3 521 . 1 1 71 71 ALA HB2 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB2 . 25372 3 522 . 1 1 71 71 ALA HB3 H 1 1.401 0.001 . 1 . . 622 . . 71 ALA HB3 . 25372 3 523 . 1 1 71 71 ALA N N 15 123.533 0.0 . 1 . . 41 . . 71 ALA N . 25372 3 524 . 1 1 72 72 MET H H 1 8.035 0.001 . 1 . . 62 . . 72 MET H . 25372 3 525 . 1 1 72 72 MET HA H 1 4.178 0.0 . 1 . . 673 . . 72 MET HA . 25372 3 526 . 1 1 72 72 MET HB2 H 1 2.060 0.001 . 2 . . 798 . . 72 MET HB2 . 25372 3 527 . 1 1 72 72 MET HB3 H 1 1.737 . . 2 . . 799 . . 72 MET HB3 . 25372 3 528 . 1 1 72 72 MET HG2 H 1 2.518 0.0 . 2 . . 674 . . 72 MET HG2 . 25372 3 529 . 1 1 72 72 MET HG3 H 1 2.359 0.001 . 2 . . 675 . . 72 MET HG3 . 25372 3 530 . 1 1 72 72 MET N N 15 118.693 0.009 . 1 . . 61 . . 72 MET N . 25372 3 531 . 1 1 73 73 ARG H H 1 8.684 0.001 . 1 . . 12 . . 73 ARG H . 25372 3 532 . 1 1 73 73 ARG HA H 1 3.630 0.001 . 1 . . 684 . . 73 ARG HA . 25372 3 533 . 1 1 73 73 ARG HB2 H 1 1.797 0.006 . 2 . . 686 . . 73 ARG HB2 . 25372 3 534 . 1 1 73 73 ARG HB3 H 1 1.846 0.002 . 2 . . 749 . . 73 ARG HB3 . 25372 3 535 . 1 1 73 73 ARG HG2 H 1 1.396 0.001 . 2 . . 687 . . 73 ARG HG2 . 25372 3 536 . 1 1 73 73 ARG HG3 H 1 1.397 . . 2 . . 971 . . 73 ARG HG3 . 25372 3 537 . 1 1 73 73 ARG HD2 H 1 3.090 0.003 . 2 . . 685 . . 73 ARG HD2 . 25372 3 538 . 1 1 73 73 ARG HD3 H 1 3.090 . . 2 . . 972 . . 73 ARG HD3 . 25372 3 539 . 1 1 73 73 ARG N N 15 121.414 0.017 . 1 . . 11 . . 73 ARG N . 25372 3 540 . 1 1 74 74 SER H H 1 7.939 0.001 . 1 . . 90 . . 74 SER H . 25372 3 541 . 1 1 74 74 SER HA H 1 4.158 0.001 . 1 . . 505 . . 74 SER HA . 25372 3 542 . 1 1 74 74 SER HB2 H 1 3.893 0.001 . 2 . . 506 . . 74 SER HB2 . 25372 3 543 . 1 1 74 74 SER HB3 H 1 3.893 . . 2 . . 970 . . 74 SER HB3 . 25372 3 544 . 1 1 74 74 SER N N 15 114.509 0.012 . 1 . . 89 . . 74 SER N . 25372 3 545 . 1 1 75 75 THR H H 1 7.903 0.001 . 1 . . 140 . . 75 THR H . 25372 3 546 . 1 1 75 75 THR HA H 1 3.824 0.0 . 1 . . 668 . . 75 THR HA . 25372 3 547 . 1 1 75 75 THR HB H 1 4.191 . . 1 . . 750 . . 75 THR HB . 25372 3 548 . 1 1 75 75 THR HG21 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG21 . 25372 3 549 . 1 1 75 75 THR HG22 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG22 . 25372 3 550 . 1 1 75 75 THR HG23 H 1 1.073 0.001 . 1 . . 669 . . 75 THR HG23 . 25372 3 551 . 1 1 75 75 THR N N 15 119.177 0.0 . 1 . . 139 . . 75 THR N . 25372 3 552 . 1 1 76 76 ARG H H 1 8.203 0.007 . 1 . . 108 . . 76 ARG H . 25372 3 553 . 1 1 76 76 ARG HA H 1 3.592 0.002 . 1 . . 617 . . 76 ARG HA . 25372 3 554 . 1 1 76 76 ARG HB2 H 1 2.146 0.002 . 2 . . 619 . . 76 ARG HB2 . 25372 3 555 . 1 1 76 76 ARG HB3 H 1 2.146 . . 2 . . 751 . . 76 ARG HB3 . 25372 3 556 . 1 1 76 76 ARG HG2 H 1 1.559 0.0 . 2 . . 620 . . 76 ARG HG2 . 25372 3 557 . 1 1 76 76 ARG HG3 H 1 1.273 0.001 . 2 . . 621 . . 76 ARG HG3 . 25372 3 558 . 1 1 76 76 ARG HD2 H 1 3.120 0.001 . 2 . . 618 . . 76 ARG HD2 . 25372 3 559 . 1 1 76 76 ARG HD3 H 1 3.120 . . 2 . . 954 . . 76 ARG HD3 . 25372 3 560 . 1 1 76 76 ARG N N 15 122.864 . . 1 . . 107 . . 76 ARG N . 25372 3 561 . 1 1 77 77 ASP H H 1 8.360 0.0 . 1 . . 114 . . 77 ASP H . 25372 3 562 . 1 1 77 77 ASP HA H 1 4.211 0.001 . 1 . . 531 . . 77 ASP HA . 25372 3 563 . 1 1 77 77 ASP HB2 H 1 2.623 0.001 . 2 . . 532 . . 77 ASP HB2 . 25372 3 564 . 1 1 77 77 ASP HB3 H 1 2.569 0.002 . 2 . . 533 . . 77 ASP HB3 . 25372 3 565 . 1 1 77 77 ASP N N 15 119.328 0.0 . 1 . . 113 . . 77 ASP N . 25372 3 566 . 1 1 78 78 LYS H H 1 7.934 0.0 . 1 . . 44 . . 78 LYS H . 25372 3 567 . 1 1 78 78 LYS HA H 1 3.911 0.0 . 1 . . 520 . . 78 LYS HA . 25372 3 568 . 1 1 78 78 LYS HB2 H 1 1.802 0.001 . 2 . . 524 . . 78 LYS HB2 . 25372 3 569 . 1 1 78 78 LYS HB3 H 1 1.754 0.001 . 2 . . 525 . . 78 LYS HB3 . 25372 3 570 . 1 1 78 78 LYS HG2 H 1 1.226 0.002 . 2 . . 523 . . 78 LYS HG2 . 25372 3 571 . 1 1 78 78 LYS HG3 H 1 1.364 0.0 . 2 . . 752 . . 78 LYS HG3 . 25372 3 572 . 1 1 78 78 LYS HD2 H 1 1.516 . . 2 . . 522 . . 78 LYS HD2 . 25372 3 573 . 1 1 78 78 LYS HD3 H 1 1.516 . . 2 . . 974 . . 78 LYS HD3 . 25372 3 574 . 1 1 78 78 LYS HE2 H 1 2.817 0.0 . 2 . . 521 . . 78 LYS HE2 . 25372 3 575 . 1 1 78 78 LYS HE3 H 1 2.817 . . 2 . . 973 . . 78 LYS HE3 . 25372 3 576 . 1 1 78 78 LYS N N 15 121.687 0.006 . 1 . . 43 . . 78 LYS N . 25372 3 577 . 1 1 79 79 ARG H H 1 8.058 0.001 . 1 . . 14 . . 79 ARG H . 25372 3 578 . 1 1 79 79 ARG HA H 1 4.027 0.001 . 1 . . 692 . . 79 ARG HA . 25372 3 579 . 1 1 79 79 ARG HG2 H 1 1.617 0.001 . 2 . . 696 . . 79 ARG HG2 . 25372 3 580 . 1 1 79 79 ARG HG3 H 1 1.551 0.002 . 2 . . 697 . . 79 ARG HG3 . 25372 3 581 . 1 1 79 79 ARG HD2 H 1 3.111 0.0 . 2 . . 693 . . 79 ARG HD2 . 25372 3 582 . 1 1 79 79 ARG HD3 H 1 3.030 . . 2 . . 694 . . 79 ARG HD3 . 25372 3 583 . 1 1 79 79 ARG N N 15 118.824 0.014 . 1 . . 13 . . 79 ARG N . 25372 3 584 . 1 1 80 80 LYS H H 1 8.243 0.001 . 1 . . 54 . . 80 LYS H . 25372 3 585 . 1 1 80 80 LYS HA H 1 3.913 0.001 . 1 . . 487 . . 80 LYS HA . 25372 3 586 . 1 1 80 80 LYS HB2 H 1 1.794 0.0 . 2 . . 489 . . 80 LYS HB2 . 25372 3 587 . 1 1 80 80 LYS HB3 H 1 1.706 0.001 . 2 . . 490 . . 80 LYS HB3 . 25372 3 588 . 1 1 80 80 LYS HG2 H 1 1.361 0.001 . 2 . . 492 . . 80 LYS HG2 . 25372 3 589 . 1 1 80 80 LYS HG3 H 1 1.303 0.001 . 2 . . 493 . . 80 LYS HG3 . 25372 3 590 . 1 1 80 80 LYS HE2 H 1 2.787 . . 2 . . 488 . . 80 LYS HE2 . 25372 3 591 . 1 1 80 80 LYS HE3 H 1 2.787 . . 2 . . 979 . . 80 LYS HE3 . 25372 3 592 . 1 1 80 80 LYS N N 15 120.616 0.02 . 1 . . 53 . . 80 LYS N . 25372 3 593 . 1 1 81 81 ARG H H 1 7.826 0.0 . 1 . . 148 . . 81 ARG H . 25372 3 594 . 1 1 81 81 ARG HA H 1 4.068 0.0 . 1 . . 594 . . 81 ARG HA . 25372 3 595 . 1 1 81 81 ARG HB2 H 1 1.761 0.001 . 2 . . 596 . . 81 ARG HB2 . 25372 3 596 . 1 1 81 81 ARG HB3 H 1 1.761 . . 2 . . 975 . . 81 ARG HB3 . 25372 3 597 . 1 1 81 81 ARG HG2 H 1 1.603 0.0 . 2 . . 597 . . 81 ARG HG2 . 25372 3 598 . 1 1 81 81 ARG HG3 H 1 1.510 . . 2 . . 598 . . 81 ARG HG3 . 25372 3 599 . 1 1 81 81 ARG HD2 H 1 3.059 . . 2 . . 595 . . 81 ARG HD2 . 25372 3 600 . 1 1 81 81 ARG HD3 H 1 3.059 . . 2 . . 980 . . 81 ARG HD3 . 25372 3 601 . 1 1 81 81 ARG N N 15 119.967 0.002 . 1 . . 147 . . 81 ARG N . 25372 3 602 . 1 1 82 82 GLU H H 1 7.994 0.001 . 1 . . 20 . . 82 GLU H . 25372 3 603 . 1 1 82 82 GLU HA H 1 4.073 0.003 . 1 . . 677 . . 82 GLU HA . 25372 3 604 . 1 1 82 82 GLU HB2 H 1 1.894 0.002 . 2 . . 680 . . 82 GLU HB2 . 25372 3 605 . 1 1 82 82 GLU HB3 H 1 1.894 . . 2 . . 976 . . 82 GLU HB3 . 25372 3 606 . 1 1 82 82 GLU HG2 H 1 2.284 0.001 . 2 . . 678 . . 82 GLU HG2 . 25372 3 607 . 1 1 82 82 GLU HG3 H 1 2.128 0.003 . 2 . . 679 . . 82 GLU HG3 . 25372 3 608 . 1 1 82 82 GLU N N 15 119.475 0.001 . 1 . . 19 . . 82 GLU N . 25372 3 609 . 1 1 83 83 SER H H 1 7.890 0.001 . 1 . . 58 . . 83 SER H . 25372 3 610 . 1 1 83 83 SER HA H 1 4.317 0.001 . 1 . . 575 . . 83 SER HA . 25372 3 611 . 1 1 83 83 SER HB2 H 1 3.779 0.0 . 2 . . 754 . . 83 SER HB2 . 25372 3 612 . 1 1 83 83 SER HB3 H 1 3.779 . . 2 . . 977 . . 83 SER HB3 . 25372 3 613 . 1 1 83 83 SER N N 15 115.495 0.014 . 1 . . 57 . . 83 SER N . 25372 3 614 . 1 1 84 84 VAL H H 1 7.825 0.0 . 1 . . 88 . . 84 VAL H . 25372 3 615 . 1 1 84 84 VAL HA H 1 4.037 0.001 . 1 . . 534 . . 84 VAL HA . 25372 3 616 . 1 1 84 84 VAL HB H 1 2.021 0.001 . 1 . . 535 . . 84 VAL HB . 25372 3 617 . 1 1 84 84 VAL HG11 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG11 . 25372 3 618 . 1 1 84 84 VAL HG12 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG12 . 25372 3 619 . 1 1 84 84 VAL HG13 H 1 0.814 0.001 . 1 . . 536 . . 84 VAL HG13 . 25372 3 620 . 1 1 84 84 VAL HG21 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG21 . 25372 3 621 . 1 1 84 84 VAL HG22 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG22 . 25372 3 622 . 1 1 84 84 VAL HG23 H 1 0.833 0.001 . 1 . . 800 . . 84 VAL HG23 . 25372 3 623 . 1 1 84 84 VAL N N 15 120.831 0.0 . 1 . . 87 . . 84 VAL N . 25372 3 624 . 1 1 85 85 GLY H H 1 8.254 0.001 . 1 . . 86 . . 85 GLY H . 25372 3 625 . 1 1 85 85 GLY HA2 H 1 3.825 0.0 . 2 . . 592 . . 85 GLY HA2 . 25372 3 626 . 1 1 85 85 GLY HA3 H 1 3.871 0.0 . 2 . . 593 . . 85 GLY HA3 . 25372 3 627 . 1 1 85 85 GLY N N 15 112.508 0.013 . 1 . . 85 . . 85 GLY N . 25372 3 628 . 1 1 86 86 SER H H 1 7.760 0.002 . 1 . . 10 . . 86 SER H . 25372 3 629 . 1 1 86 86 SER N N 15 121.345 0.0 . 1 . . 9 . . 86 SER N . 25372 3 stop_ save_