################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7205 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7205 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7205 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.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 SER HA H 1 4.261 0.020 . 1 . . . . 642 SER HA . 7205 1 2 . 1 1 1 1 SER HB2 H 1 4.014 0.020 . 1 . . . . 642 SER HB2 . 7205 1 3 . 1 1 1 1 SER HB3 H 1 4.014 0.020 . 1 . . . . 642 SER HB3 . 7205 1 4 . 1 1 1 1 SER CA C 13 57.295 0.400 . 1 . . . . 642 SER CA . 7205 1 5 . 1 1 1 1 SER CB C 13 62.986 0.400 . 1 . . . . 642 SER CB . 7205 1 6 . 1 1 2 2 THR HA H 1 4.415 0.020 . 1 . . . . 643 THR HA . 7205 1 7 . 1 1 2 2 THR HB H 1 4.183 0.020 . 1 . . . . 643 THR HB . 7205 1 8 . 1 1 2 2 THR HG21 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 9 . 1 1 2 2 THR HG22 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 10 . 1 1 2 2 THR HG23 H 1 1.222 0.020 . 1 . . . . 643 THR HG2 . 7205 1 11 . 1 1 2 2 THR C C 13 174.850 0.400 . 1 . . . . 643 THR C . 7205 1 12 . 1 1 2 2 THR CA C 13 61.822 0.400 . 1 . . . . 643 THR CA . 7205 1 13 . 1 1 2 2 THR CB C 13 69.665 0.400 . 1 . . . . 643 THR CB . 7205 1 14 . 1 1 2 2 THR CG2 C 13 21.495 0.400 . 1 . . . . 643 THR CG2 . 7205 1 15 . 1 1 3 3 LEU H H 1 8.335 0.020 . 1 . . . . 644 LEU H . 7205 1 16 . 1 1 3 3 LEU HA H 1 4.626 0.020 . 1 . . . . 644 LEU HA . 7205 1 17 . 1 1 3 3 LEU HB3 H 1 1.583 0.020 . 2 . . . . 644 LEU HB3 . 7205 1 18 . 1 1 3 3 LEU HG H 1 1.683 0.020 . 1 . . . . 644 LEU HG . 7205 1 19 . 1 1 3 3 LEU HD11 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 20 . 1 1 3 3 LEU HD12 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 21 . 1 1 3 3 LEU HD13 H 1 0.938 0.020 . 2 . . . . 644 LEU HD1 . 7205 1 22 . 1 1 3 3 LEU HD21 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 23 . 1 1 3 3 LEU HD22 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 24 . 1 1 3 3 LEU HD23 H 1 0.938 0.020 . 2 . . . . 644 LEU HD2 . 7205 1 25 . 1 1 3 3 LEU CA C 13 52.976 0.400 . 1 . . . . 644 LEU CA . 7205 1 26 . 1 1 3 3 LEU CB C 13 41.869 0.400 . 1 . . . . 644 LEU CB . 7205 1 27 . 1 1 3 3 LEU CG C 13 26.980 0.400 . 1 . . . . 644 LEU CG . 7205 1 28 . 1 1 3 3 LEU CD1 C 13 25.084 0.400 . 1 . . . . 644 LEU CD1 . 7205 1 29 . 1 1 3 3 LEU N N 15 125.386 0.400 . 1 . . . . 644 LEU N . 7205 1 30 . 1 1 4 4 PRO HA H 1 4.441 0.020 . 1 . . . . 645 PRO HA . 7205 1 31 . 1 1 4 4 PRO HB2 H 1 1.843 0.020 . 2 . . . . 645 PRO HB2 . 7205 1 32 . 1 1 4 4 PRO HB3 H 1 2.359 0.020 . 2 . . . . 645 PRO HB3 . 7205 1 33 . 1 1 4 4 PRO HG2 H 1 2.036 0.020 . 1 . . . . 645 PRO HG2 . 7205 1 34 . 1 1 4 4 PRO HG3 H 1 2.036 0.020 . 1 . . . . 645 PRO HG3 . 7205 1 35 . 1 1 4 4 PRO HD2 H 1 3.910 0.020 . 2 . . . . 645 PRO HD2 . 7205 1 36 . 1 1 4 4 PRO HD3 H 1 3.602 0.020 . 2 . . . . 645 PRO HD3 . 7205 1 37 . 1 1 4 4 PRO C C 13 177.834 0.400 . 1 . . . . 645 PRO C . 7205 1 38 . 1 1 4 4 PRO CA C 13 62.853 0.400 . 1 . . . . 645 PRO CA . 7205 1 39 . 1 1 4 4 PRO CB C 13 32.107 0.400 . 1 . . . . 645 PRO CB . 7205 1 40 . 1 1 4 4 PRO CG C 13 27.276 0.400 . 1 . . . . 645 PRO CG . 7205 1 41 . 1 1 4 4 PRO CD C 13 50.366 0.400 . 1 . . . . 645 PRO CD . 7205 1 42 . 1 1 5 5 GLN H H 1 8.461 0.020 . 1 . . . . 646 GLN H . 7205 1 43 . 1 1 5 5 GLN HA H 1 4.178 0.020 . 1 . . . . 646 GLN HA . 7205 1 44 . 1 1 5 5 GLN HB2 H 1 2.368 0.020 . 1 . . . . 646 GLN HB2 . 7205 1 45 . 1 1 5 5 GLN HB3 H 1 2.368 0.020 . 1 . . . . 646 GLN HB3 . 7205 1 46 . 1 1 5 5 GLN HG2 H 1 2.018 0.020 . 1 . . . . 646 GLN HG2 . 7205 1 47 . 1 1 5 5 GLN HG3 H 1 2.018 0.020 . 1 . . . . 646 GLN HG3 . 7205 1 48 . 1 1 5 5 GLN C C 13 177.408 0.400 . 1 . . . . 646 GLN C . 7205 1 49 . 1 1 5 5 GLN CA C 13 56.480 0.400 . 1 . . . . 646 GLN CA . 7205 1 50 . 1 1 5 5 GLN CB C 13 33.586 0.400 . 1 . . . . 646 GLN CB . 7205 1 51 . 1 1 5 5 GLN CG C 13 29.222 0.400 . 1 . . . . 646 GLN CG . 7205 1 52 . 1 1 5 5 GLN N N 15 120.459 0.400 . 1 . . . . 646 GLN N . 7205 1 53 . 1 1 6 6 HIS H H 1 8.438 0.020 . 1 . . . . 647 HIS H . 7205 1 54 . 1 1 6 6 HIS HA H 1 4.722 0.020 . 1 . . . . 647 HIS HA . 7205 1 55 . 1 1 6 6 HIS HB2 H 1 3.317 0.020 . 2 . . . . 647 HIS HB2 . 7205 1 56 . 1 1 6 6 HIS HB3 H 1 3.236 0.020 . 2 . . . . 647 HIS HB3 . 7205 1 57 . 1 1 6 6 HIS C C 13 175.175 0.400 . 1 . . . . 647 HIS C . 7205 1 58 . 1 1 6 6 HIS CA C 13 55.204 0.400 . 1 . . . . 647 HIS CA . 7205 1 59 . 1 1 6 6 HIS CB C 13 28.956 0.400 . 1 . . . . 647 HIS CB . 7205 1 60 . 1 1 6 6 HIS N N 15 117.278 0.400 . 1 . . . . 647 HIS N . 7205 1 61 . 1 1 7 7 ALA H H 1 8.184 0.020 . 1 . . . . 648 ALA H . 7205 1 62 . 1 1 7 7 ALA HA H 1 4.383 0.020 . 1 . . . . 648 ALA HA . 7205 1 63 . 1 1 7 7 ALA HB1 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 64 . 1 1 7 7 ALA HB2 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 65 . 1 1 7 7 ALA HB3 H 1 1.429 0.020 . 1 . . . . 648 ALA HB . 7205 1 66 . 1 1 7 7 ALA C C 13 178.180 0.400 . 1 . . . . 648 ALA C . 7205 1 67 . 1 1 7 7 ALA CA C 13 52.315 0.400 . 1 . . . . 648 ALA CA . 7205 1 68 . 1 1 7 7 ALA CB C 13 19.386 0.400 . 1 . . . . 648 ALA CB . 7205 1 69 . 1 1 7 7 ALA N N 15 123.317 0.400 . 1 . . . . 648 ALA N . 7205 1 70 . 1 1 8 8 ARG H H 1 8.281 0.020 . 1 . . . . 649 ARG H . 7205 1 71 . 1 1 8 8 ARG HA H 1 4.326 0.020 . 1 . . . . 649 ARG HA . 7205 1 72 . 1 1 8 8 ARG HB2 H 1 1.935 0.020 . 1 . . . . 649 ARG HB2 . 7205 1 73 . 1 1 8 8 ARG HB3 H 1 1.935 0.020 . 1 . . . . 649 ARG HB3 . 7205 1 74 . 1 1 8 8 ARG HG2 H 1 1.757 0.020 . 2 . . . . 649 ARG HG2 . 7205 1 75 . 1 1 8 8 ARG HG3 H 1 1.669 0.020 . 2 . . . . 649 ARG HG3 . 7205 1 76 . 1 1 8 8 ARG HD2 H 1 3.266 0.020 . 1 . . . . 649 ARG HD2 . 7205 1 77 . 1 1 8 8 ARG HD3 H 1 3.266 0.020 . 1 . . . . 649 ARG HD3 . 7205 1 78 . 1 1 8 8 ARG C C 13 177.611 0.400 . 1 . . . . 649 ARG C . 7205 1 79 . 1 1 8 8 ARG CA C 13 57.190 0.400 . 1 . . . . 649 ARG CA . 7205 1 80 . 1 1 8 8 ARG CB C 13 30.737 0.400 . 1 . . . . 649 ARG CB . 7205 1 81 . 1 1 8 8 ARG CG C 13 27.133 0.400 . 1 . . . . 649 ARG CG . 7205 1 82 . 1 1 8 8 ARG N N 15 118.844 0.400 . 1 . . . . 649 ARG N . 7205 1 83 . 1 1 9 9 THR H H 1 8.239 0.020 . 1 . . . . 650 THR H . 7205 1 84 . 1 1 9 9 THR HA H 1 4.259 0.020 . 1 . . . . 650 THR HA . 7205 1 85 . 1 1 9 9 THR HB H 1 4.367 0.020 . 1 . . . . 650 THR HB . 7205 1 86 . 1 1 9 9 THR HG21 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 87 . 1 1 9 9 THR HG22 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 88 . 1 1 9 9 THR HG23 H 1 1.284 0.020 . 1 . . . . 650 THR HG2 . 7205 1 89 . 1 1 9 9 THR CA C 13 65.530 0.400 . 1 . . . . 650 THR CA . 7205 1 90 . 1 1 9 9 THR CB C 13 67.356 0.400 . 1 . . . . 650 THR CB . 7205 1 91 . 1 1 9 9 THR CG2 C 13 22.412 0.400 . 1 . . . . 650 THR CG2 . 7205 1 92 . 1 1 9 9 THR N N 15 115.800 0.400 . 1 . . . . 650 THR N . 7205 1 93 . 1 1 10 10 PRO HA H 1 4.358 0.020 . 1 . . . . 651 PRO HA . 7205 1 94 . 1 1 10 10 PRO HB2 H 1 2.321 0.020 . 2 . . . . 651 PRO HB2 . 7205 1 95 . 1 1 10 10 PRO HB3 H 1 2.152 0.020 . 2 . . . . 651 PRO HB3 . 7205 1 96 . 1 1 10 10 PRO HG2 H 1 2.028 0.020 . 2 . . . . 651 PRO HG2 . 7205 1 97 . 1 1 10 10 PRO HG3 H 1 1.889 0.020 . 2 . . . . 651 PRO HG3 . 7205 1 98 . 1 1 10 10 PRO HD2 H 1 3.775 0.020 . 1 . . . . 651 PRO HD2 . 7205 1 99 . 1 1 10 10 PRO HD3 H 1 3.775 0.020 . 1 . . . . 651 PRO HD3 . 7205 1 100 . 1 1 10 10 PRO CA C 13 65.099 0.400 . 1 . . . . 651 PRO CA . 7205 1 101 . 1 1 10 10 PRO CD C 13 50.218 0.400 . 1 . . . . 651 PRO CD . 7205 1 102 . 1 1 11 11 LEU H H 1 7.597 0.020 . 1 . . . . 652 LEU H . 7205 1 103 . 1 1 11 11 LEU HA H 1 4.118 0.020 . 1 . . . . 652 LEU HA . 7205 1 104 . 1 1 11 11 LEU N N 15 117.060 0.400 . 1 . . . . 652 LEU N . 7205 1 105 . 1 1 12 12 ILE H H 1 7.926 0.020 . 1 . . . . 653 ILE H . 7205 1 106 . 1 1 12 12 ILE HA H 1 3.742 0.020 . 1 . . . . 653 ILE HA . 7205 1 107 . 1 1 12 12 ILE HB H 1 2.062 0.020 . 1 . . . . 653 ILE HB . 7205 1 108 . 1 1 12 12 ILE HG12 H 1 1.714 0.020 . 2 . . . . 653 ILE HG12 . 7205 1 109 . 1 1 12 12 ILE HG13 H 1 1.117 0.020 . 2 . . . . 653 ILE HG13 . 7205 1 110 . 1 1 12 12 ILE HG21 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 111 . 1 1 12 12 ILE HG22 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 112 . 1 1 12 12 ILE HG23 H 1 0.906 0.020 . 1 . . . . 653 ILE HG2 . 7205 1 113 . 1 1 12 12 ILE HD11 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 114 . 1 1 12 12 ILE HD12 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 115 . 1 1 12 12 ILE HD13 H 1 0.906 0.020 . 1 . . . . 653 ILE HD1 . 7205 1 116 . 1 1 12 12 ILE CA C 13 64.448 0.400 . 1 . . . . 653 ILE CA . 7205 1 117 . 1 1 12 12 ILE CB C 13 37.539 0.400 . 1 . . . . 653 ILE CB . 7205 1 118 . 1 1 12 12 ILE CG1 C 13 28.825 0.400 . 1 . . . . 653 ILE CG1 . 7205 1 119 . 1 1 12 12 ILE CG2 C 13 17.614 0.400 . 1 . . . . 653 ILE CG2 . 7205 1 120 . 1 1 12 12 ILE CD1 C 13 13.045 0.400 . 1 . . . . 653 ILE CD1 . 7205 1 121 . 1 1 12 12 ILE N N 15 118.314 0.400 . 1 . . . . 653 ILE N . 7205 1 122 . 1 1 13 13 ALA H H 1 8.328 0.020 . 1 . . . . 654 ALA H . 7205 1 123 . 1 1 13 13 ALA HA H 1 3.956 0.020 . 1 . . . . 654 ALA HA . 7205 1 124 . 1 1 13 13 ALA HB1 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 125 . 1 1 13 13 ALA HB2 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 126 . 1 1 13 13 ALA HB3 H 1 1.481 0.020 . 1 . . . . 654 ALA HB . 7205 1 127 . 1 1 13 13 ALA C C 13 179.601 0.400 . 1 . . . . 654 ALA C . 7205 1 128 . 1 1 13 13 ALA CA C 13 55.224 0.400 . 1 . . . . 654 ALA CA . 7205 1 129 . 1 1 13 13 ALA CB C 13 18.148 0.400 . 1 . . . . 654 ALA CB . 7205 1 130 . 1 1 13 13 ALA N N 15 120.863 0.400 . 1 . . . . 654 ALA N . 7205 1 131 . 1 1 14 14 ALA H H 1 8.253 0.020 . 1 . . . . 655 ALA H . 7205 1 132 . 1 1 14 14 ALA HA H 1 3.973 0.020 . 1 . . . . 655 ALA HA . 7205 1 133 . 1 1 14 14 ALA HB1 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 134 . 1 1 14 14 ALA HB2 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 135 . 1 1 14 14 ALA HB3 H 1 1.508 0.020 . 1 . . . . 655 ALA HB . 7205 1 136 . 1 1 14 14 ALA C C 13 180.250 0.400 . 1 . . . . 655 ALA C . 7205 1 137 . 1 1 14 14 ALA CA C 13 54.997 0.400 . 1 . . . . 655 ALA CA . 7205 1 138 . 1 1 14 14 ALA CB C 13 18.402 0.400 . 1 . . . . 655 ALA CB . 7205 1 139 . 1 1 14 14 ALA N N 15 118.392 0.400 . 1 . . . . 655 ALA N . 7205 1 140 . 1 1 15 15 GLY H H 1 8.377 0.020 . 1 . . . . 656 GLY H . 7205 1 141 . 1 1 15 15 GLY HA2 H 1 3.632 0.020 . 2 . . . . 656 GLY HA2 . 7205 1 142 . 1 1 15 15 GLY HA3 H 1 3.761 0.020 . 2 . . . . 656 GLY HA3 . 7205 1 143 . 1 1 15 15 GLY C C 13 175.784 0.400 . 1 . . . . 656 GLY C . 7205 1 144 . 1 1 15 15 GLY CA C 13 46.904 0.400 . 1 . . . . 656 GLY CA . 7205 1 145 . 1 1 15 15 GLY N N 15 104.974 0.400 . 1 . . . . 656 GLY N . 7205 1 146 . 1 1 16 16 VAL H H 1 8.404 0.020 . 1 . . . . 657 VAL H . 7205 1 147 . 1 1 16 16 VAL HA H 1 3.646 0.020 . 1 . . . . 657 VAL HA . 7205 1 148 . 1 1 16 16 VAL HB H 1 2.248 0.020 . 1 . . . . 657 VAL HB . 7205 1 149 . 1 1 16 16 VAL HG11 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 150 . 1 1 16 16 VAL HG12 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 151 . 1 1 16 16 VAL HG13 H 1 1.064 0.020 . 2 . . . . 657 VAL HG1 . 7205 1 152 . 1 1 16 16 VAL HG21 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 153 . 1 1 16 16 VAL HG22 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 154 . 1 1 16 16 VAL HG23 H 1 0.888 0.020 . 2 . . . . 657 VAL HG2 . 7205 1 155 . 1 1 16 16 VAL C C 13 178.139 0.400 . 1 . . . . 657 VAL C . 7205 1 156 . 1 1 16 16 VAL CA C 13 66.594 0.400 . 1 . . . . 657 VAL CA . 7205 1 157 . 1 1 16 16 VAL CB C 13 31.471 0.400 . 1 . . . . 657 VAL CB . 7205 1 158 . 1 1 16 16 VAL CG1 C 13 23.349 0.400 . 1 . . . . 657 VAL CG1 . 7205 1 159 . 1 1 16 16 VAL CG2 C 13 21.611 0.400 . 1 . . . . 657 VAL CG2 . 7205 1 160 . 1 1 16 16 VAL N N 15 120.863 0.400 . 1 . . . . 657 VAL N . 7205 1 161 . 1 1 17 17 ILE H H 1 8.326 0.020 . 1 . . . . 658 ILE H . 7205 1 162 . 1 1 17 17 ILE HA H 1 3.648 0.020 . 1 . . . . 658 ILE HA . 7205 1 163 . 1 1 17 17 ILE HB H 1 1.977 0.020 . 1 . . . . 658 ILE HB . 7205 1 164 . 1 1 17 17 ILE HG12 H 1 1.754 0.020 . 2 . . . . 658 ILE HG12 . 7205 1 165 . 1 1 17 17 ILE HG13 H 1 1.130 0.020 . 2 . . . . 658 ILE HG13 . 7205 1 166 . 1 1 17 17 ILE HG21 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 167 . 1 1 17 17 ILE HG22 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 168 . 1 1 17 17 ILE HG23 H 1 0.847 0.020 . 1 . . . . 658 ILE HG2 . 7205 1 169 . 1 1 17 17 ILE HD11 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 170 . 1 1 17 17 ILE HD12 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 171 . 1 1 17 17 ILE HD13 H 1 0.815 0.020 . 1 . . . . 658 ILE HD1 . 7205 1 172 . 1 1 17 17 ILE C C 13 178.657 0.400 . 1 . . . . 658 ILE C . 7205 1 173 . 1 1 17 17 ILE CA C 13 64.868 0.400 . 1 . . . . 658 ILE CA . 7205 1 174 . 1 1 17 17 ILE CB C 13 37.174 0.400 . 1 . . . . 658 ILE CB . 7205 1 175 . 1 1 17 17 ILE CG1 C 13 29.349 0.400 . 1 . . . . 658 ILE CG1 . 7205 1 176 . 1 1 17 17 ILE CG2 C 13 17.664 0.400 . 1 . . . . 658 ILE CG2 . 7205 1 177 . 1 1 17 17 ILE CD1 C 13 12.445 0.400 . 1 . . . . 658 ILE CD1 . 7205 1 178 . 1 1 17 17 ILE N N 15 118.502 0.400 . 1 . . . . 658 ILE N . 7205 1 179 . 1 1 18 18 GLY H H 1 8.751 0.020 . 1 . . . . 659 GLY H . 7205 1 180 . 1 1 18 18 GLY HA2 H 1 3.652 0.020 . 2 . . . . 659 GLY HA2 . 7205 1 181 . 1 1 18 18 GLY HA3 H 1 3.747 0.020 . 2 . . . . 659 GLY HA3 . 7205 1 182 . 1 1 18 18 GLY C C 13 176.088 0.400 . 1 . . . . 659 GLY C . 7205 1 183 . 1 1 18 18 GLY CA C 13 47.430 0.400 . 1 . . . . 659 GLY CA . 7205 1 184 . 1 1 18 18 GLY N N 15 106.825 0.400 . 1 . . . . 659 GLY N . 7205 1 185 . 1 1 19 19 GLY H H 1 8.532 0.020 . 1 . . . . 660 GLY H . 7205 1 186 . 1 1 19 19 GLY HA2 H 1 3.668 0.020 . 1 . . . . 660 GLY HA2 . 7205 1 187 . 1 1 19 19 GLY HA3 H 1 3.668 0.020 . 1 . . . . 660 GLY HA3 . 7205 1 188 . 1 1 19 19 GLY C C 13 175.632 0.400 . 1 . . . . 660 GLY C . 7205 1 189 . 1 1 19 19 GLY CA C 13 47.295 0.400 . 1 . . . . 660 GLY CA . 7205 1 190 . 1 1 19 19 GLY N N 15 108.528 0.400 . 1 . . . . 660 GLY N . 7205 1 191 . 1 1 20 20 LEU H H 1 8.456 0.020 . 1 . . . . 661 LEU H . 7205 1 192 . 1 1 20 20 LEU HA H 1 4.082 0.020 . 1 . . . . 661 LEU HA . 7205 1 193 . 1 1 20 20 LEU HB2 H 1 1.961 0.020 . 1 . . . . 661 LEU HB2 . 7205 1 194 . 1 1 20 20 LEU HB3 H 1 1.579 0.020 . 1 . . . . 661 LEU HB3 . 7205 1 195 . 1 1 20 20 LEU HG H 1 1.887 0.020 . 1 . . . . 661 LEU HG . 7205 1 196 . 1 1 20 20 LEU HD11 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 197 . 1 1 20 20 LEU HD12 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 198 . 1 1 20 20 LEU HD13 H 1 0.854 0.020 . 2 . . . . 661 LEU HD1 . 7205 1 199 . 1 1 20 20 LEU HD21 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 200 . 1 1 20 20 LEU HD22 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 201 . 1 1 20 20 LEU HD23 H 1 0.850 0.020 . 2 . . . . 661 LEU HD2 . 7205 1 202 . 1 1 20 20 LEU C C 13 179.063 0.400 . 1 . . . . 661 LEU C . 7205 1 203 . 1 1 20 20 LEU CA C 13 57.895 0.400 . 1 . . . . 661 LEU CA . 7205 1 204 . 1 1 20 20 LEU CB C 13 41.729 0.400 . 1 . . . . 661 LEU CB . 7205 1 205 . 1 1 20 20 LEU CG C 13 27.006 0.400 . 1 . . . . 661 LEU CG . 7205 1 206 . 1 1 20 20 LEU CD1 C 13 23.943 0.400 . 1 . . . . 661 LEU CD1 . 7205 1 207 . 1 1 20 20 LEU CD2 C 13 24.781 0.400 . 1 . . . . 661 LEU CD2 . 7205 1 208 . 1 1 20 20 LEU N N 15 121.220 0.400 . 1 . . . . 661 LEU N . 7205 1 209 . 1 1 21 21 PHE H H 1 8.468 0.020 . 1 . . . . 662 PHE H . 7205 1 210 . 1 1 21 21 PHE HA H 1 4.137 0.020 . 1 . . . . 662 PHE HA . 7205 1 211 . 1 1 21 21 PHE HB2 H 1 3.270 0.020 . 1 . . . . 662 PHE HB2 . 7205 1 212 . 1 1 21 21 PHE HB3 H 1 3.270 0.020 . 1 . . . . 662 PHE HB3 . 7205 1 213 . 1 1 21 21 PHE C C 13 178.129 0.400 . 1 . . . . 662 PHE C . 7205 1 214 . 1 1 21 21 PHE CA C 13 61.327 0.400 . 1 . . . . 662 PHE CA . 7205 1 215 . 1 1 21 21 PHE CB C 13 38.924 0.400 . 1 . . . . 662 PHE CB . 7205 1 216 . 1 1 21 21 PHE N N 15 117.952 0.400 . 1 . . . . 662 PHE N . 7205 1 217 . 1 1 22 22 ILE H H 1 8.179 0.020 . 1 . . . . 663 ILE H . 7205 1 218 . 1 1 22 22 ILE HA H 1 3.586 0.020 . 1 . . . . 663 ILE HA . 7205 1 219 . 1 1 22 22 ILE HB H 1 2.175 0.020 . 1 . . . . 663 ILE HB . 7205 1 220 . 1 1 22 22 ILE HG12 H 1 1.891 0.020 . 2 . . . . 663 ILE HG12 . 7205 1 221 . 1 1 22 22 ILE HG13 H 1 1.245 0.020 . 2 . . . . 663 ILE HG13 . 7205 1 222 . 1 1 22 22 ILE HG21 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 223 . 1 1 22 22 ILE HG22 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 224 . 1 1 22 22 ILE HG23 H 1 0.872 0.020 . 1 . . . . 663 ILE HG2 . 7205 1 225 . 1 1 22 22 ILE HD11 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 226 . 1 1 22 22 ILE HD12 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 227 . 1 1 22 22 ILE HD13 H 1 0.828 0.020 . 1 . . . . 663 ILE HD1 . 7205 1 228 . 1 1 22 22 ILE C C 13 178.078 0.400 . 1 . . . . 663 ILE C . 7205 1 229 . 1 1 22 22 ILE CA C 13 64.661 0.400 . 1 . . . . 663 ILE CA . 7205 1 230 . 1 1 22 22 ILE CB C 13 37.049 0.400 . 1 . . . . 663 ILE CB . 7205 1 231 . 1 1 22 22 ILE CG1 C 13 29.165 0.400 . 1 . . . . 663 ILE CG1 . 7205 1 232 . 1 1 22 22 ILE CG2 C 13 17.585 0.400 . 1 . . . . 663 ILE CG2 . 7205 1 233 . 1 1 22 22 ILE CD1 C 13 12.299 0.400 . 1 . . . . 663 ILE CD1 . 7205 1 234 . 1 1 22 22 ILE N N 15 117.495 0.400 . 1 . . . . 663 ILE N . 7205 1 235 . 1 1 23 23 LEU H H 1 8.187 0.020 . 1 . . . . 664 LEU H . 7205 1 236 . 1 1 23 23 LEU HA H 1 3.914 0.020 . 1 . . . . 664 LEU HA . 7205 1 237 . 1 1 23 23 LEU HB2 H 1 1.954 0.020 . 1 . . . . 664 LEU HB2 . 7205 1 238 . 1 1 23 23 LEU HB3 H 1 1.645 0.020 . 1 . . . . 664 LEU HB3 . 7205 1 239 . 1 1 23 23 LEU HG H 1 1.864 0.020 . 1 . . . . 664 LEU HG . 7205 1 240 . 1 1 23 23 LEU HD11 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 241 . 1 1 23 23 LEU HD12 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 242 . 1 1 23 23 LEU HD13 H 1 0.814 0.020 . 2 . . . . 664 LEU HD1 . 7205 1 243 . 1 1 23 23 LEU HD21 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 244 . 1 1 23 23 LEU HD22 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 245 . 1 1 23 23 LEU HD23 H 1 0.854 0.020 . 2 . . . . 664 LEU HD2 . 7205 1 246 . 1 1 23 23 LEU C C 13 179.449 0.400 . 1 . . . . 664 LEU C . 7205 1 247 . 1 1 23 23 LEU CA C 13 58.485 0.400 . 1 . . . . 664 LEU CA . 7205 1 248 . 1 1 23 23 LEU CB C 13 41.681 0.400 . 1 . . . . 664 LEU CB . 7205 1 249 . 1 1 23 23 LEU CG C 13 26.740 0.400 . 1 . . . . 664 LEU CG . 7205 1 250 . 1 1 23 23 LEU CD1 C 13 23.894 0.400 . 1 . . . . 664 LEU CD1 . 7205 1 251 . 1 1 23 23 LEU CD2 C 13 24.838 0.400 . 1 . . . . 664 LEU CD2 . 7205 1 252 . 1 1 23 23 LEU N N 15 119.346 0.400 . 1 . . . . 664 LEU N . 7205 1 253 . 1 1 24 24 VAL H H 1 8.251 0.020 . 1 . . . . 665 VAL H . 7205 1 254 . 1 1 24 24 VAL HA H 1 3.561 0.020 . 1 . . . . 665 VAL HA . 7205 1 255 . 1 1 24 24 VAL HB H 1 2.277 0.020 . 1 . . . . 665 VAL HB . 7205 1 256 . 1 1 24 24 VAL HG11 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 257 . 1 1 24 24 VAL HG12 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 258 . 1 1 24 24 VAL HG13 H 1 0.854 0.020 . 1 . . . . 665 VAL HG1 . 7205 1 259 . 1 1 24 24 VAL HG21 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 260 . 1 1 24 24 VAL HG22 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 261 . 1 1 24 24 VAL HG23 H 1 1.036 0.020 . 1 . . . . 665 VAL HG2 . 7205 1 262 . 1 1 24 24 VAL C C 13 178.129 0.400 . 1 . . . . 665 VAL C . 7205 1 263 . 1 1 24 24 VAL CA C 13 66.901 0.400 . 1 . . . . 665 VAL CA . 7205 1 264 . 1 1 24 24 VAL CB C 13 31.158 0.400 . 1 . . . . 665 VAL CB . 7205 1 265 . 1 1 24 24 VAL CG1 C 13 21.455 0.400 . 1 . . . . 665 VAL CG1 . 7205 1 266 . 1 1 24 24 VAL CG2 C 13 23.387 0.400 . 1 . . . . 665 VAL CG2 . 7205 1 267 . 1 1 24 24 VAL N N 15 117.673 0.400 . 1 . . . . 665 VAL N . 7205 1 268 . 1 1 25 25 ILE H H 1 8.067 0.020 . 1 . . . . 666 ILE H . 7205 1 269 . 1 1 25 25 ILE HA H 1 3.684 0.020 . 1 . . . . 666 ILE HA . 7205 1 270 . 1 1 25 25 ILE HB H 1 1.971 0.020 . 1 . . . . 666 ILE HB . 7205 1 271 . 1 1 25 25 ILE HG12 H 1 1.409 0.020 . 2 . . . . 666 ILE HG12 . 7205 1 272 . 1 1 25 25 ILE HG13 H 1 1.065 0.020 . 2 . . . . 666 ILE HG13 . 7205 1 273 . 1 1 25 25 ILE HG21 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 274 . 1 1 25 25 ILE HG22 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 275 . 1 1 25 25 ILE HG23 H 1 0.802 0.020 . 1 . . . . 666 ILE HG2 . 7205 1 276 . 1 1 25 25 ILE HD11 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 277 . 1 1 25 25 ILE HD12 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 278 . 1 1 25 25 ILE HD13 H 1 0.603 0.020 . 1 . . . . 666 ILE HD1 . 7205 1 279 . 1 1 25 25 ILE C C 13 180.149 0.400 . 1 . . . . 666 ILE C . 7205 1 280 . 1 1 25 25 ILE CA C 13 64.572 0.400 . 1 . . . . 666 ILE CA . 7205 1 281 . 1 1 25 25 ILE CB C 13 36.723 0.400 . 1 . . . . 666 ILE CB . 7205 1 282 . 1 1 25 25 ILE CG1 C 13 28.649 0.400 . 1 . . . . 666 ILE CG1 . 7205 1 283 . 1 1 25 25 ILE CG2 C 13 17.578 0.400 . 1 . . . . 666 ILE CG2 . 7205 1 284 . 1 1 25 25 ILE CD1 C 13 11.991 0.400 . 1 . . . . 666 ILE CD1 . 7205 1 285 . 1 1 25 25 ILE N N 15 118.720 0.400 . 1 . . . . 666 ILE N . 7205 1 286 . 1 1 26 26 VAL H H 1 8.821 0.020 . 1 . . . . 667 VAL H . 7205 1 287 . 1 1 26 26 VAL HA H 1 3.541 0.020 . 1 . . . . 667 VAL HA . 7205 1 288 . 1 1 26 26 VAL HB H 1 2.237 0.020 . 1 . . . . 667 VAL HB . 7205 1 289 . 1 1 26 26 VAL HG11 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 290 . 1 1 26 26 VAL HG12 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 291 . 1 1 26 26 VAL HG13 H 1 1.032 0.020 . 2 . . . . 667 VAL HG1 . 7205 1 292 . 1 1 26 26 VAL HG21 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 293 . 1 1 26 26 VAL HG22 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 294 . 1 1 26 26 VAL HG23 H 1 0.864 0.020 . 2 . . . . 667 VAL HG2 . 7205 1 295 . 1 1 26 26 VAL C C 13 178.342 0.400 . 1 . . . . 667 VAL C . 7205 1 296 . 1 1 26 26 VAL CA C 13 67.168 0.400 . 1 . . . . 667 VAL CA . 7205 1 297 . 1 1 26 26 VAL CB C 13 31.224 0.400 . 1 . . . . 667 VAL CB . 7205 1 298 . 1 1 26 26 VAL CG1 C 13 23.368 0.400 . 1 . . . . 667 VAL CG1 . 7205 1 299 . 1 1 26 26 VAL CG2 C 13 21.530 0.400 . 1 . . . . 667 VAL CG2 . 7205 1 300 . 1 1 26 26 VAL N N 15 122.385 0.400 . 1 . . . . 667 VAL N . 7205 1 301 . 1 1 27 27 GLY H H 1 8.777 0.020 . 1 . . . . 668 GLY H . 7205 1 302 . 1 1 27 27 GLY HA2 H 1 3.782 0.020 . 1 . . . . 668 GLY HA2 . 7205 1 303 . 1 1 27 27 GLY HA3 H 1 3.662 0.020 . 1 . . . . 668 GLY HA3 . 7205 1 304 . 1 1 27 27 GLY C C 13 175.804 0.400 . 1 . . . . 668 GLY C . 7205 1 305 . 1 1 27 27 GLY CA C 13 47.674 0.400 . 1 . . . . 668 GLY CA . 7205 1 306 . 1 1 27 27 GLY N N 15 107.647 0.400 . 1 . . . . 668 GLY N . 7205 1 307 . 1 1 28 28 LEU H H 1 8.785 0.020 . 1 . . . . 669 LEU H . 7205 1 308 . 1 1 28 28 LEU HA H 1 4.138 0.020 . 1 . . . . 669 LEU HA . 7205 1 309 . 1 1 28 28 LEU HB2 H 1 1.910 0.020 . 1 . . . . 669 LEU HB2 . 7205 1 310 . 1 1 28 28 LEU HB3 H 1 1.566 0.020 . 1 . . . . 669 LEU HB3 . 7205 1 311 . 1 1 28 28 LEU HG H 1 1.926 0.020 . 1 . . . . 669 LEU HG . 7205 1 312 . 1 1 28 28 LEU HD11 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 313 . 1 1 28 28 LEU HD12 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 314 . 1 1 28 28 LEU HD13 H 1 0.858 0.020 . 2 . . . . 669 LEU HD1 . 7205 1 315 . 1 1 28 28 LEU HD21 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 316 . 1 1 28 28 LEU HD22 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 317 . 1 1 28 28 LEU HD23 H 1 0.858 0.020 . 2 . . . . 669 LEU HD2 . 7205 1 318 . 1 1 28 28 LEU C C 13 179.002 0.400 . 1 . . . . 669 LEU C . 7205 1 319 . 1 1 28 28 LEU CA C 13 57.865 0.400 . 1 . . . . 669 LEU CA . 7205 1 320 . 1 1 28 28 LEU CB C 13 42.305 0.400 . 1 . . . . 669 LEU CB . 7205 1 321 . 1 1 28 28 LEU CG C 13 26.859 0.400 . 1 . . . . 669 LEU CG . 7205 1 322 . 1 1 28 28 LEU CD2 C 13 23.726 0.400 . 1 . . . . 669 LEU CD2 . 7205 1 323 . 1 1 28 28 LEU N N 15 120.495 0.400 . 1 . . . . 669 LEU N . 7205 1 324 . 1 1 29 29 THR H H 1 8.105 0.020 . 1 . . . . 670 THR H . 7205 1 325 . 1 1 29 29 THR HA H 1 3.798 0.020 . 1 . . . . 670 THR HA . 7205 1 326 . 1 1 29 29 THR HB H 1 4.307 0.020 . 1 . . . . 670 THR HB . 7205 1 327 . 1 1 29 29 THR HG21 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 328 . 1 1 29 29 THR HG22 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 329 . 1 1 29 29 THR HG23 H 1 1.163 0.020 . 1 . . . . 670 THR HG2 . 7205 1 330 . 1 1 29 29 THR C C 13 177.368 0.400 . 1 . . . . 670 THR C . 7205 1 331 . 1 1 29 29 THR CA C 13 67.731 0.400 . 1 . . . . 670 THR CA . 7205 1 332 . 1 1 29 29 THR CB C 13 67.448 0.400 . 1 . . . . 670 THR CB . 7205 1 333 . 1 1 29 29 THR CG2 C 13 21.606 0.400 . 1 . . . . 670 THR CG2 . 7205 1 334 . 1 1 29 29 THR N N 15 115.348 0.400 . 1 . . . . 670 THR N . 7205 1 335 . 1 1 30 30 PHE H H 1 8.498 0.020 . 1 . . . . 671 PHE H . 7205 1 336 . 1 1 30 30 PHE HA H 1 4.288 0.020 . 1 . . . . 671 PHE HA . 7205 1 337 . 1 1 30 30 PHE HB2 H 1 3.241 0.020 . 1 . . . . 671 PHE HB2 . 7205 1 338 . 1 1 30 30 PHE HB3 H 1 3.241 0.020 . 1 . . . . 671 PHE HB3 . 7205 1 339 . 1 1 30 30 PHE C C 13 177.479 0.400 . 1 . . . . 671 PHE C . 7205 1 340 . 1 1 30 30 PHE CA C 13 61.243 0.400 . 1 . . . . 671 PHE CA . 7205 1 341 . 1 1 30 30 PHE CB C 13 39.128 0.400 . 1 . . . . 671 PHE CB . 7205 1 342 . 1 1 30 30 PHE N N 15 120.724 0.400 . 1 . . . . 671 PHE N . 7205 1 343 . 1 1 31 31 ALA H H 1 8.384 0.020 . 1 . . . . 672 ALA H . 7205 1 344 . 1 1 31 31 ALA HA H 1 3.991 0.020 . 1 . . . . 672 ALA HA . 7205 1 345 . 1 1 31 31 ALA HB1 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 346 . 1 1 31 31 ALA HB2 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 347 . 1 1 31 31 ALA HB3 H 1 1.606 0.020 . 1 . . . . 672 ALA HB . 7205 1 348 . 1 1 31 31 ALA C C 13 180.169 0.400 . 1 . . . . 672 ALA C . 7205 1 349 . 1 1 31 31 ALA CA C 13 55.317 0.400 . 1 . . . . 672 ALA CA . 7205 1 350 . 1 1 31 31 ALA CB C 13 18.402 0.400 . 1 . . . . 672 ALA CB . 7205 1 351 . 1 1 31 31 ALA N N 15 120.172 0.400 . 1 . . . . 672 ALA N . 7205 1 352 . 1 1 32 32 VAL H H 1 8.150 0.020 . 1 . . . . 673 VAL H . 7205 1 353 . 1 1 32 32 VAL HA H 1 3.635 0.020 . 1 . . . . 673 VAL HA . 7205 1 354 . 1 1 32 32 VAL HB H 1 2.284 0.020 . 1 . . . . 673 VAL HB . 7205 1 355 . 1 1 32 32 VAL HG11 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 356 . 1 1 32 32 VAL HG12 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 357 . 1 1 32 32 VAL HG13 H 1 0.964 0.020 . 1 . . . . 673 VAL HG1 . 7205 1 358 . 1 1 32 32 VAL HG21 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 359 . 1 1 32 32 VAL HG22 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 360 . 1 1 32 32 VAL HG23 H 1 1.142 0.020 . 1 . . . . 673 VAL HG2 . 7205 1 361 . 1 1 32 32 VAL C C 13 178.413 0.400 . 1 . . . . 673 VAL C . 7205 1 362 . 1 1 32 32 VAL CA C 13 66.227 0.400 . 1 . . . . 673 VAL CA . 7205 1 363 . 1 1 32 32 VAL CB C 13 31.613 0.400 . 1 . . . . 673 VAL CB . 7205 1 364 . 1 1 32 32 VAL CG1 C 13 21.597 0.400 . 1 . . . . 673 VAL CG1 . 7205 1 365 . 1 1 32 32 VAL CG2 C 13 23.123 0.400 . 1 . . . . 673 VAL CG2 . 7205 1 366 . 1 1 32 32 VAL N N 15 116.594 0.400 . 1 . . . . 673 VAL N . 7205 1 367 . 1 1 33 33 TYR H H 1 8.162 0.020 . 1 . . . . 674 TYR H . 7205 1 368 . 1 1 33 33 TYR HA H 1 4.114 0.020 . 1 . . . . 674 TYR HA . 7205 1 369 . 1 1 33 33 TYR HB2 H 1 3.248 0.020 . 2 . . . . 674 TYR HB2 . 7205 1 370 . 1 1 33 33 TYR HB3 H 1 3.082 0.020 . 2 . . . . 674 TYR HB3 . 7205 1 371 . 1 1 33 33 TYR HD1 H 1 6.986 0.020 . 1 . . . . 674 TYR HD1 . 7205 1 372 . 1 1 33 33 TYR HD2 H 1 6.986 0.020 . 1 . . . . 674 TYR HD2 . 7205 1 373 . 1 1 33 33 TYR HE1 H 1 6.788 0.020 . 1 . . . . 674 TYR HE1 . 7205 1 374 . 1 1 33 33 TYR HE2 H 1 6.788 0.020 . 1 . . . . 674 TYR HE2 . 7205 1 375 . 1 1 33 33 TYR C C 13 178.504 0.400 . 1 . . . . 674 TYR C . 7205 1 376 . 1 1 33 33 TYR CA C 13 61.688 0.400 . 1 . . . . 674 TYR CA . 7205 1 377 . 1 1 33 33 TYR CB C 13 38.609 0.400 . 1 . . . . 674 TYR CB . 7205 1 378 . 1 1 33 33 TYR N N 15 120.453 0.400 . 1 . . . . 674 TYR N . 7205 1 379 . 1 1 34 34 VAL H H 1 8.380 0.020 . 1 . . . . 675 VAL H . 7205 1 380 . 1 1 34 34 VAL HA H 1 3.501 0.020 . 1 . . . . 675 VAL HA . 7205 1 381 . 1 1 34 34 VAL HB H 1 2.054 0.020 . 1 . . . . 675 VAL HB . 7205 1 382 . 1 1 34 34 VAL HG11 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 383 . 1 1 34 34 VAL HG12 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 384 . 1 1 34 34 VAL HG13 H 1 0.889 0.020 . 2 . . . . 675 VAL HG1 . 7205 1 385 . 1 1 34 34 VAL HG21 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 386 . 1 1 34 34 VAL HG22 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 387 . 1 1 34 34 VAL HG23 H 1 0.870 0.020 . 2 . . . . 675 VAL HG2 . 7205 1 388 . 1 1 34 34 VAL C C 13 179.144 0.400 . 1 . . . . 675 VAL C . 7205 1 389 . 1 1 34 34 VAL CA C 13 65.417 0.400 . 1 . . . . 675 VAL CA . 7205 1 390 . 1 1 34 34 VAL CB C 13 31.635 0.400 . 1 . . . . 675 VAL CB . 7205 1 391 . 1 1 34 34 VAL CG1 C 13 21.521 0.400 . 1 . . . . 675 VAL CG1 . 7205 1 392 . 1 1 34 34 VAL CG2 C 13 22.421 0.400 . 1 . . . . 675 VAL CG2 . 7205 1 393 . 1 1 34 34 VAL N N 15 116.658 0.400 . 1 . . . . 675 VAL N . 7205 1 394 . 1 1 35 35 ARG H H 1 7.876 0.020 . 1 . . . . 676 ARG H . 7205 1 395 . 1 1 35 35 ARG HA H 1 4.128 0.020 . 1 . . . . 676 ARG HA . 7205 1 396 . 1 1 35 35 ARG HB2 H 1 2.050 0.020 . 2 . . . . 676 ARG HB2 . 7205 1 397 . 1 1 35 35 ARG HB3 H 1 1.958 0.020 . 2 . . . . 676 ARG HB3 . 7205 1 398 . 1 1 35 35 ARG HG2 H 1 1.725 0.020 . 1 . . . . 676 ARG HG2 . 7205 1 399 . 1 1 35 35 ARG HG3 H 1 1.725 0.020 . 1 . . . . 676 ARG HG3 . 7205 1 400 . 1 1 35 35 ARG HD2 H 1 3.171 0.020 . 1 . . . . 676 ARG HD2 . 7205 1 401 . 1 1 35 35 ARG HD3 H 1 3.171 0.020 . 1 . . . . 676 ARG HD3 . 7205 1 402 . 1 1 35 35 ARG C C 13 179.032 0.400 . 1 . . . . 676 ARG C . 7205 1 403 . 1 1 35 35 ARG CA C 13 57.696 0.400 . 1 . . . . 676 ARG CA . 7205 1 404 . 1 1 35 35 ARG CB C 13 29.934 0.400 . 1 . . . . 676 ARG CB . 7205 1 405 . 1 1 35 35 ARG CG C 13 27.470 0.400 . 1 . . . . 676 ARG CG . 7205 1 406 . 1 1 35 35 ARG CD C 13 43.283 0.400 . 1 . . . . 676 ARG CD . 7205 1 407 . 1 1 35 35 ARG N N 15 120.193 0.400 . 1 . . . . 676 ARG N . 7205 1 408 . 1 1 36 36 ARG H H 1 8.019 0.020 . 1 . . . . 677 ARG H . 7205 1 409 . 1 1 36 36 ARG HA H 1 4.128 0.020 . 1 . . . . 677 ARG HA . 7205 1 410 . 1 1 36 36 ARG HB2 H 1 1.903 0.020 . 1 . . . . 677 ARG HB2 . 7205 1 411 . 1 1 36 36 ARG HB3 H 1 1.903 0.020 . 1 . . . . 677 ARG HB3 . 7205 1 412 . 1 1 36 36 ARG HG2 H 1 1.744 0.020 . 1 . . . . 677 ARG HG2 . 7205 1 413 . 1 1 36 36 ARG HG3 H 1 1.744 0.020 . 1 . . . . 677 ARG HG3 . 7205 1 414 . 1 1 36 36 ARG HD2 H 1 3.138 0.020 . 1 . . . . 677 ARG HD2 . 7205 1 415 . 1 1 36 36 ARG HD3 H 1 3.138 0.020 . 1 . . . . 677 ARG HD3 . 7205 1 416 . 1 1 36 36 ARG C C 13 178.494 0.400 . 1 . . . . 677 ARG C . 7205 1 417 . 1 1 36 36 ARG CA C 13 57.745 0.400 . 1 . . . . 677 ARG CA . 7205 1 418 . 1 1 36 36 ARG CB C 13 29.995 0.400 . 1 . . . . 677 ARG CB . 7205 1 419 . 1 1 36 36 ARG CG C 13 27.432 0.400 . 1 . . . . 677 ARG CG . 7205 1 420 . 1 1 36 36 ARG CD C 13 43.500 0.400 . 1 . . . . 677 ARG CD . 7205 1 421 . 1 1 36 36 ARG N N 15 118.684 0.400 . 1 . . . . 677 ARG N . 7205 1 422 . 1 1 37 37 LYS H H 1 7.839 0.020 . 1 . . . . 678 LYS H . 7205 1 423 . 1 1 37 37 LYS HA H 1 4.171 0.020 . 1 . . . . 678 LYS HA . 7205 1 424 . 1 1 37 37 LYS HB2 H 1 1.694 0.020 . 2 . . . . 678 LYS HB2 . 7205 1 425 . 1 1 37 37 LYS HB3 H 1 1.766 0.020 . 2 . . . . 678 LYS HB3 . 7205 1 426 . 1 1 37 37 LYS HG3 H 1 1.313 0.020 . 2 . . . . 678 LYS HG3 . 7205 1 427 . 1 1 37 37 LYS HD2 H 1 1.574 0.020 . 1 . . . . 678 LYS HD2 . 7205 1 428 . 1 1 37 37 LYS HD3 H 1 1.574 0.020 . 1 . . . . 678 LYS HD3 . 7205 1 429 . 1 1 37 37 LYS HE2 H 1 2.921 0.020 . 1 . . . . 678 LYS HE2 . 7205 1 430 . 1 1 37 37 LYS HE3 H 1 2.921 0.020 . 1 . . . . 678 LYS HE3 . 7205 1 431 . 1 1 37 37 LYS C C 13 178.088 0.400 . 1 . . . . 678 LYS C . 7205 1 432 . 1 1 37 37 LYS CA C 13 56.528 0.400 . 1 . . . . 678 LYS CA . 7205 1 433 . 1 1 37 37 LYS CB C 13 32.262 0.400 . 1 . . . . 678 LYS CB . 7205 1 434 . 1 1 37 37 LYS CG C 13 24.405 0.400 . 1 . . . . 678 LYS CG . 7205 1 435 . 1 1 37 37 LYS CD C 13 28.698 0.400 . 1 . . . . 678 LYS CD . 7205 1 436 . 1 1 37 37 LYS CE C 13 41.885 0.400 . 1 . . . . 678 LYS CE . 7205 1 437 . 1 1 37 37 LYS N N 15 118.756 0.400 . 1 . . . . 678 LYS N . 7205 1 438 . 1 1 38 38 SER H H 1 7.851 0.020 . 1 . . . . 679 SER H . 7205 1 439 . 1 1 38 38 SER HA H 1 4.415 0.020 . 1 . . . . 679 SER HA . 7205 1 440 . 1 1 38 38 SER HB2 H 1 3.920 0.020 . 1 . . . . 679 SER HB2 . 7205 1 441 . 1 1 38 38 SER HB3 H 1 3.920 0.020 . 1 . . . . 679 SER HB3 . 7205 1 442 . 1 1 38 38 SER C C 13 175.459 0.400 . 1 . . . . 679 SER C . 7205 1 443 . 1 1 38 38 SER CA C 13 58.760 0.400 . 1 . . . . 679 SER CA . 7205 1 444 . 1 1 38 38 SER CB C 13 63.638 0.400 . 1 . . . . 679 SER CB . 7205 1 445 . 1 1 38 38 SER N N 15 114.720 0.400 . 1 . . . . 679 SER N . 7205 1 446 . 1 1 39 39 ILE H H 1 7.712 0.020 . 1 . . . . 680 ILE H . 7205 1 447 . 1 1 39 39 ILE HA H 1 4.148 0.020 . 1 . . . . 680 ILE HA . 7205 1 448 . 1 1 39 39 ILE HB H 1 1.917 0.020 . 1 . . . . 680 ILE HB . 7205 1 449 . 1 1 39 39 ILE HG12 H 1 1.527 0.020 . 2 . . . . 680 ILE HG12 . 7205 1 450 . 1 1 39 39 ILE HG13 H 1 1.249 0.020 . 2 . . . . 680 ILE HG13 . 7205 1 451 . 1 1 39 39 ILE HG21 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 452 . 1 1 39 39 ILE HG22 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 453 . 1 1 39 39 ILE HG23 H 1 0.930 0.020 . 1 . . . . 680 ILE HG2 . 7205 1 454 . 1 1 39 39 ILE HD11 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 455 . 1 1 39 39 ILE HD12 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 456 . 1 1 39 39 ILE HD13 H 1 0.899 0.020 . 1 . . . . 680 ILE HD1 . 7205 1 457 . 1 1 39 39 ILE C C 13 176.992 0.400 . 1 . . . . 680 ILE C . 7205 1 458 . 1 1 39 39 ILE CA C 13 61.347 0.400 . 1 . . . . 680 ILE CA . 7205 1 459 . 1 1 39 39 ILE CB C 13 38.482 0.400 . 1 . . . . 680 ILE CB . 7205 1 460 . 1 1 39 39 ILE CG1 C 13 27.281 0.400 . 1 . . . . 680 ILE CG1 . 7205 1 461 . 1 1 39 39 ILE CG2 C 13 17.590 0.400 . 1 . . . . 680 ILE CG2 . 7205 1 462 . 1 1 39 39 ILE CD1 C 13 13.045 0.400 . 1 . . . . 680 ILE CD1 . 7205 1 463 . 1 1 39 39 ILE N N 15 121.616 0.400 . 1 . . . . 680 ILE N . 7205 1 464 . 1 1 40 40 LYS H H 1 8.121 0.020 . 1 . . . . 681 LYS H . 7205 1 465 . 1 1 40 40 LYS HA H 1 4.343 0.020 . 1 . . . . 681 LYS HA . 7205 1 466 . 1 1 40 40 LYS HB3 H 1 1.798 0.020 . 2 . . . . 681 LYS HB3 . 7205 1 467 . 1 1 40 40 LYS HG2 H 1 1.429 0.020 . 1 . . . . 681 LYS HG2 . 7205 1 468 . 1 1 40 40 LYS HG3 H 1 1.429 0.020 . 1 . . . . 681 LYS HG3 . 7205 1 469 . 1 1 40 40 LYS HD2 H 1 1.702 0.020 . 1 . . . . 681 LYS HD2 . 7205 1 470 . 1 1 40 40 LYS HD3 H 1 1.702 0.020 . 1 . . . . 681 LYS HD3 . 7205 1 471 . 1 1 40 40 LYS HE2 H 1 3.024 0.020 . 1 . . . . 681 LYS HE2 . 7205 1 472 . 1 1 40 40 LYS HE3 H 1 3.024 0.020 . 1 . . . . 681 LYS HE3 . 7205 1 473 . 1 1 40 40 LYS C C 13 177.185 0.400 . 1 . . . . 681 LYS C . 7205 1 474 . 1 1 40 40 LYS CA C 13 55.944 0.400 . 1 . . . . 681 LYS CA . 7205 1 475 . 1 1 40 40 LYS CB C 13 33.090 0.400 . 1 . . . . 681 LYS CB . 7205 1 476 . 1 1 40 40 LYS CG C 13 24.478 0.400 . 1 . . . . 681 LYS CG . 7205 1 477 . 1 1 40 40 LYS CD C 13 28.747 0.400 . 1 . . . . 681 LYS CD . 7205 1 478 . 1 1 40 40 LYS CE C 13 42.126 0.400 . 1 . . . . 681 LYS CE . 7205 1 479 . 1 1 40 40 LYS N N 15 124.677 0.400 . 1 . . . . 681 LYS N . 7205 1 480 . 1 1 41 41 LYS H H 1 8.125 0.020 . 1 . . . . 682 LYS H . 7205 1 481 . 1 1 41 41 LYS HA H 1 4.335 0.020 . 1 . . . . 682 LYS HA . 7205 1 482 . 1 1 41 41 LYS HB2 H 1 1.795 0.020 . 1 . . . . 682 LYS HB2 . 7205 1 483 . 1 1 41 41 LYS HB3 H 1 1.795 0.020 . 1 . . . . 682 LYS HB3 . 7205 1 484 . 1 1 41 41 LYS HG2 H 1 1.479 0.020 . 1 . . . . 682 LYS HG2 . 7205 1 485 . 1 1 41 41 LYS HG3 H 1 1.479 0.020 . 1 . . . . 682 LYS HG3 . 7205 1 486 . 1 1 41 41 LYS HD2 H 1 1.702 0.020 . 1 . . . . 682 LYS HD2 . 7205 1 487 . 1 1 41 41 LYS HD3 H 1 1.702 0.020 . 1 . . . . 682 LYS HD3 . 7205 1 488 . 1 1 41 41 LYS HE2 H 1 3.024 0.020 . 1 . . . . 682 LYS HE2 . 7205 1 489 . 1 1 41 41 LYS HE3 H 1 3.024 0.020 . 1 . . . . 682 LYS HE3 . 7205 1 490 . 1 1 41 41 LYS C C 13 177.144 0.400 . 1 . . . . 682 LYS C . 7205 1 491 . 1 1 41 41 LYS CA C 13 55.724 0.400 . 1 . . . . 682 LYS CA . 7205 1 492 . 1 1 41 41 LYS CB C 13 32.973 0.400 . 1 . . . . 682 LYS CB . 7205 1 493 . 1 1 41 41 LYS CG C 13 24.613 0.400 . 1 . . . . 682 LYS CG . 7205 1 494 . 1 1 41 41 LYS CD C 13 28.943 0.400 . 1 . . . . 682 LYS CD . 7205 1 495 . 1 1 41 41 LYS CE C 13 41.934 0.400 . 1 . . . . 682 LYS CE . 7205 1 496 . 1 1 41 41 LYS N N 15 122.672 0.400 . 1 . . . . 682 LYS N . 7205 1 497 . 1 1 42 42 LYS H H 1 8.234 0.020 . 1 . . . . 683 LYS H . 7205 1 498 . 1 1 42 42 LYS HA H 1 4.321 0.020 . 1 . . . . 683 LYS HA . 7205 1 499 . 1 1 42 42 LYS HB2 H 1 1.791 0.020 . 1 . . . . 683 LYS HB2 . 7205 1 500 . 1 1 42 42 LYS HB3 H 1 1.791 0.020 . 1 . . . . 683 LYS HB3 . 7205 1 501 . 1 1 42 42 LYS HG2 H 1 1.439 0.020 . 1 . . . . 683 LYS HG2 . 7205 1 502 . 1 1 42 42 LYS HG3 H 1 1.439 0.020 . 1 . . . . 683 LYS HG3 . 7205 1 503 . 1 1 42 42 LYS HD2 H 1 1.702 0.020 . 1 . . . . 683 LYS HD2 . 7205 1 504 . 1 1 42 42 LYS HD3 H 1 1.702 0.020 . 1 . . . . 683 LYS HD3 . 7205 1 505 . 1 1 42 42 LYS HE2 H 1 3.024 0.020 . 1 . . . . 683 LYS HE2 . 7205 1 506 . 1 1 42 42 LYS HE3 H 1 3.024 0.020 . 1 . . . . 683 LYS HE3 . 7205 1 507 . 1 1 42 42 LYS C C 13 177.093 0.400 . 1 . . . . 683 LYS C . 7205 1 508 . 1 1 42 42 LYS CA C 13 56.081 0.400 . 1 . . . . 683 LYS CA . 7205 1 509 . 1 1 42 42 LYS CB C 13 33.163 0.400 . 1 . . . . 683 LYS CB . 7205 1 510 . 1 1 42 42 LYS CG C 13 24.650 0.400 . 1 . . . . 683 LYS CG . 7205 1 511 . 1 1 42 42 LYS CD C 13 28.845 0.400 . 1 . . . . 683 LYS CD . 7205 1 512 . 1 1 42 42 LYS CE C 13 41.765 0.400 . 1 . . . . 683 LYS CE . 7205 1 513 . 1 1 42 42 LYS N N 15 123.029 0.400 . 1 . . . . 683 LYS N . 7205 1 514 . 1 1 43 43 ARG H H 1 8.288 0.020 . 1 . . . . 684 ARG H . 7205 1 515 . 1 1 43 43 ARG HA H 1 4.324 0.020 . 1 . . . . 684 ARG HA . 7205 1 516 . 1 1 43 43 ARG HB2 H 1 1.909 0.020 . 2 . . . . 684 ARG HB2 . 7205 1 517 . 1 1 43 43 ARG HB3 H 1 1.806 0.020 . 2 . . . . 684 ARG HB3 . 7205 1 518 . 1 1 43 43 ARG HG2 H 1 1.671 0.020 . 1 . . . . 684 ARG HG2 . 7205 1 519 . 1 1 43 43 ARG HG3 H 1 1.671 0.020 . 1 . . . . 684 ARG HG3 . 7205 1 520 . 1 1 43 43 ARG HD2 H 1 3.229 0.020 . 1 . . . . 684 ARG HD2 . 7205 1 521 . 1 1 43 43 ARG HD3 H 1 3.229 0.020 . 1 . . . . 684 ARG HD3 . 7205 1 522 . 1 1 43 43 ARG C C 13 175.713 0.400 . 1 . . . . 684 ARG C . 7205 1 523 . 1 1 43 43 ARG CA C 13 55.964 0.400 . 1 . . . . 684 ARG CA . 7205 1 524 . 1 1 43 43 ARG CB C 13 30.896 0.400 . 1 . . . . 684 ARG CB . 7205 1 525 . 1 1 43 43 ARG CG C 13 27.046 0.400 . 1 . . . . 684 ARG CG . 7205 1 526 . 1 1 43 43 ARG CD C 13 43.283 0.400 . 1 . . . . 684 ARG CD . 7205 1 527 . 1 1 43 43 ARG N N 15 123.203 0.400 . 1 . . . . 684 ARG N . 7205 1 528 . 1 1 44 44 ALA H H 1 7.921 0.020 . 1 . . . . 685 ALA H . 7205 1 529 . 1 1 44 44 ALA HA H 1 4.137 0.020 . 1 . . . . 685 ALA HA . 7205 1 530 . 1 1 44 44 ALA HB1 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 531 . 1 1 44 44 ALA HB2 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 532 . 1 1 44 44 ALA HB3 H 1 1.359 0.020 . 1 . . . . 685 ALA HB . 7205 1 533 . 1 1 44 44 ALA CA C 13 53.519 0.400 . 1 . . . . 685 ALA CA . 7205 1 534 . 1 1 44 44 ALA CB C 13 20.035 0.400 . 1 . . . . 685 ALA CB . 7205 1 535 . 1 1 44 44 ALA N N 15 130.633 0.400 . 1 . . . . 685 ALA N . 7205 1 stop_ save_