################################### # 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 15728 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_4.3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 15728 1 2 '2D 1H-13C HSQC' . . . 15728 1 3 '3D HNCO' . . . 15728 1 4 '3D HNCA' . . . 15728 1 6 '3D HCCH-TOCSY' . . . 15728 1 7 '3D HNHA' . . . 15728 1 10 '3D 1H-15N TOCSY' . . . 15728 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 2 $CARA . . 15728 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 4.412 0.020 . 1 . . . . 536 SER HA . 15728 1 2 . 1 1 1 1 SER HB2 H 1 4.028 0.020 . 1 . . . . 536 SER HB2 . 15728 1 3 . 1 1 1 1 SER HB3 H 1 3.894 0.020 . 1 . . . . 536 SER HB3 . 15728 1 4 . 1 1 1 1 SER CA C 13 54.780 0.300 . 1 . . . . 536 SER CA . 15728 1 5 . 1 1 1 1 SER CB C 13 59.600 0.300 . 1 . . . . 536 SER CB . 15728 1 6 . 1 1 2 2 PRO HA H 1 4.785 0.020 . 1 . . . . 537 PRO HA . 15728 1 7 . 1 1 2 2 PRO HB2 H 1 2.396 0.020 . 2 . . . . 537 PRO HB2 . 15728 1 8 . 1 1 2 2 PRO HB3 H 1 1.879 0.020 . 2 . . . . 537 PRO HB3 . 15728 1 9 . 1 1 2 2 PRO HD2 H 1 3.620 0.020 . 2 . . . . 537 PRO HD2 . 15728 1 10 . 1 1 2 2 PRO HD3 H 1 3.766 0.020 . 2 . . . . 537 PRO HD3 . 15728 1 11 . 1 1 2 2 PRO HG2 H 1 2.036 0.020 . 2 . . . . 537 PRO HG2 . 15728 1 12 . 1 1 2 2 PRO HG3 H 1 2.036 0.020 . 2 . . . . 537 PRO HG3 . 15728 1 13 . 1 1 2 2 PRO CA C 13 59.931 0.300 . 1 . . . . 537 PRO CA . 15728 1 14 . 1 1 2 2 PRO CB C 13 28.816 0.300 . 1 . . . . 537 PRO CB . 15728 1 15 . 1 1 2 2 PRO CD C 13 48.730 0.300 . 1 . . . . 537 PRO CD . 15728 1 16 . 1 1 2 2 PRO CG C 13 25.333 0.300 . 1 . . . . 537 PRO CG . 15728 1 17 . 1 1 3 3 PRO HA H 1 4.468 0.020 . 1 . . . . 538 PRO HA . 15728 1 18 . 1 1 3 3 PRO HB2 H 1 2.277 0.020 . 2 . . . . 538 PRO HB2 . 15728 1 19 . 1 1 3 3 PRO HB3 H 1 1.906 0.020 . 2 . . . . 538 PRO HB3 . 15728 1 20 . 1 1 3 3 PRO HD2 H 1 3.804 0.020 . 2 . . . . 538 PRO HD2 . 15728 1 21 . 1 1 3 3 PRO HD3 H 1 3.642 0.020 . 2 . . . . 538 PRO HD3 . 15728 1 22 . 1 1 3 3 PRO HG2 H 1 2.024 0.020 . 2 . . . . 538 PRO HG2 . 15728 1 23 . 1 1 3 3 PRO HG3 H 1 2.024 0.020 . 2 . . . . 538 PRO HG3 . 15728 1 24 . 1 1 3 3 PRO C C 13 176.680 0.300 . 1 . . . . 538 PRO C . 15728 1 25 . 1 1 3 3 PRO CA C 13 61.060 0.300 . 1 . . . . 538 PRO CA . 15728 1 26 . 1 1 3 3 PRO CB C 13 29.941 0.300 . 1 . . . . 538 PRO CB . 15728 1 27 . 1 1 3 3 PRO CD C 13 48.515 0.300 . 1 . . . . 538 PRO CD . 15728 1 28 . 1 1 3 3 PRO CG C 13 25.314 0.300 . 1 . . . . 538 PRO CG . 15728 1 29 . 1 1 4 4 VAL H H 1 8.109 0.020 . 1 . . . . 539 VAL H . 15728 1 30 . 1 1 4 4 VAL HA H 1 4.109 0.020 . 1 . . . . 539 VAL HA . 15728 1 31 . 1 1 4 4 VAL HB H 1 2.055 0.020 . 1 . . . . 539 VAL HB . 15728 1 32 . 1 1 4 4 VAL HG11 H 1 0.924 0.020 . 2 . . . . 539 VAL HG1 . 15728 1 33 . 1 1 4 4 VAL HG12 H 1 0.924 0.020 . 2 . . . . 539 VAL HG1 . 15728 1 34 . 1 1 4 4 VAL HG13 H 1 0.924 0.020 . 2 . . . . 539 VAL HG1 . 15728 1 35 . 1 1 4 4 VAL HG21 H 1 0.925 0.020 . 2 . . . . 539 VAL HG2 . 15728 1 36 . 1 1 4 4 VAL HG22 H 1 0.925 0.020 . 2 . . . . 539 VAL HG2 . 15728 1 37 . 1 1 4 4 VAL HG23 H 1 0.925 0.020 . 2 . . . . 539 VAL HG2 . 15728 1 38 . 1 1 4 4 VAL C C 13 175.981 0.300 . 1 . . . . 539 VAL C . 15728 1 39 . 1 1 4 4 VAL CA C 13 60.125 0.300 . 1 . . . . 539 VAL CA . 15728 1 40 . 1 1 4 4 VAL CB C 13 30.990 0.300 . 1 . . . . 539 VAL CB . 15728 1 41 . 1 1 4 4 VAL CG1 C 13 18.619 0.300 . 1 . . . . 539 VAL CG1 . 15728 1 42 . 1 1 4 4 VAL CG2 C 13 19.313 0.300 . 1 . . . . 539 VAL CG2 . 15728 1 43 . 1 1 4 4 VAL N N 15 119.196 0.300 . 1 . . . . 539 VAL N . 15728 1 44 . 1 1 5 5 SER H H 1 8.248 0.020 . 1 . . . . 540 SER H . 15728 1 45 . 1 1 5 5 SER HA H 1 4.445 0.020 . 1 . . . . 540 SER HA . 15728 1 46 . 1 1 5 5 SER HB2 H 1 3.831 0.020 . 2 . . . . 540 SER HB2 . 15728 1 47 . 1 1 5 5 SER HB3 H 1 3.800 0.020 . 2 . . . . 540 SER HB3 . 15728 1 48 . 1 1 5 5 SER C C 13 174.163 0.300 . 1 . . . . 540 SER C . 15728 1 49 . 1 1 5 5 SER CA C 13 56.131 0.300 . 1 . . . . 540 SER CA . 15728 1 50 . 1 1 5 5 SER CB C 13 61.943 0.300 . 1 . . . . 540 SER CB . 15728 1 51 . 1 1 5 5 SER N N 15 118.519 0.300 . 1 . . . . 540 SER N . 15728 1 52 . 1 1 6 6 ARG H H 1 8.285 0.020 . 1 . . . . 541 ARG H . 15728 1 53 . 1 1 6 6 ARG HA H 1 4.377 0.020 . 1 . . . . 541 ARG HA . 15728 1 54 . 1 1 6 6 ARG HB2 H 1 1.901 0.020 . 1 . . . . 541 ARG HB2 . 15728 1 55 . 1 1 6 6 ARG HB3 H 1 1.770 0.020 . 1 . . . . 541 ARG HB3 . 15728 1 56 . 1 1 6 6 ARG HD2 H 1 3.141 0.040 . 5 . . . . 541 ARG HD2 . 15728 1 57 . 1 1 6 6 ARG HD3 H 1 3.141 0.040 . 2 . . . . 541 ARG HD3 . 15728 1 58 . 1 1 6 6 ARG HG2 H 1 1.619 0.040 . 5 . . . . 541 ARG HG2 . 15728 1 59 . 1 1 6 6 ARG HG3 H 1 1.619 0.040 . 5 . . . . 541 ARG HG3 . 15728 1 60 . 1 1 6 6 ARG C C 13 175.911 0.300 . 1 . . . . 541 ARG C . 15728 1 61 . 1 1 6 6 ARG CA C 13 54.036 0.300 . 1 . . . . 541 ARG CA . 15728 1 62 . 1 1 6 6 ARG CB C 13 28.889 0.300 . 1 . . . . 541 ARG CB . 15728 1 63 . 1 1 6 6 ARG CD C 13 41.322 0.600 . 5 . . . . 541 ARG CD . 15728 1 64 . 1 1 6 6 ARG CG C 13 25.006 0.600 . 5 . . . . 541 ARG CG . 15728 1 65 . 1 1 6 6 ARG N N 15 122.258 0.300 . 1 . . . . 541 ARG N . 15728 1 66 . 1 1 7 7 GLY H H 1 8.224 0.020 . 1 . . . . 542 GLY H . 15728 1 67 . 1 1 7 7 GLY HA2 H 1 4.014 0.020 . 1 . . . . 542 GLY HA2 . 15728 1 68 . 1 1 7 7 GLY HA3 H 1 3.918 0.020 . 1 . . . . 542 GLY HA3 . 15728 1 69 . 1 1 7 7 GLY C C 13 173.444 0.300 . 1 . . . . 542 GLY C . 15728 1 70 . 1 1 7 7 GLY CA C 13 42.782 0.300 . 1 . . . . 542 GLY CA . 15728 1 71 . 1 1 7 7 GLY N N 15 107.819 0.300 . 1 . . . . 542 GLY N . 15728 1 72 . 1 1 8 8 LEU H H 1 8.062 0.020 . 1 . . . . 543 LEU H . 15728 1 73 . 1 1 8 8 LEU HA H 1 4.616 0.020 . 1 . . . . 543 LEU HA . 15728 1 74 . 1 1 8 8 LEU HB2 H 1 1.674 0.020 . 2 . . . . 543 LEU HB2 . 15728 1 75 . 1 1 8 8 LEU HB3 H 1 1.579 0.020 . 2 . . . . 543 LEU HB3 . 15728 1 76 . 1 1 8 8 LEU HD11 H 1 0.835 0.020 . 2 . . . . 543 LEU HD1 . 15728 1 77 . 1 1 8 8 LEU HD12 H 1 0.835 0.020 . 2 . . . . 543 LEU HD1 . 15728 1 78 . 1 1 8 8 LEU HD13 H 1 0.835 0.020 . 2 . . . . 543 LEU HD1 . 15728 1 79 . 1 1 8 8 LEU HD21 H 1 0.833 0.020 . 2 . . . . 543 LEU HD2 . 15728 1 80 . 1 1 8 8 LEU HD22 H 1 0.833 0.020 . 2 . . . . 543 LEU HD2 . 15728 1 81 . 1 1 8 8 LEU HD23 H 1 0.833 0.020 . 2 . . . . 543 LEU HD2 . 15728 1 82 . 1 1 8 8 LEU HG H 1 1.523 0.050 . 5 . . . . 543 LEU HG . 15728 1 83 . 1 1 8 8 LEU C C 13 177.499 0.300 . 1 . . . . 543 LEU C . 15728 1 84 . 1 1 8 8 LEU CA C 13 52.803 0.300 . 1 . . . . 543 LEU CA . 15728 1 85 . 1 1 8 8 LEU CB C 13 41.347 0.300 . 1 . . . . 543 LEU CB . 15728 1 86 . 1 1 8 8 LEU CD1 C 13 23.587 0.300 . 1 . . . . 543 LEU CD1 . 15728 1 87 . 1 1 8 8 LEU CD2 C 13 21.280 0.300 . 1 . . . . 543 LEU CD2 . 15728 1 88 . 1 1 8 8 LEU CG C 13 24.908 0.600 . 5 . . . . 543 LEU CG . 15728 1 89 . 1 1 8 8 LEU N N 15 120.635 0.300 . 1 . . . . 543 LEU N . 15728 1 90 . 1 1 9 9 THR H H 1 8.370 0.020 . 1 . . . . 544 THR H . 15728 1 91 . 1 1 9 9 THR HA H 1 4.488 0.020 . 1 . . . . 544 THR HA . 15728 1 92 . 1 1 9 9 THR HB H 1 4.616 0.020 . 1 . . . . 544 THR HB . 15728 1 93 . 1 1 9 9 THR HG21 H 1 1.244 0.020 . 1 . . . . 544 THR HG2 . 15728 1 94 . 1 1 9 9 THR HG22 H 1 1.244 0.020 . 1 . . . . 544 THR HG2 . 15728 1 95 . 1 1 9 9 THR HG23 H 1 1.244 0.020 . 1 . . . . 544 THR HG2 . 15728 1 96 . 1 1 9 9 THR C C 13 175.711 0.300 . 1 . . . . 544 THR C . 15728 1 97 . 1 1 9 9 THR CA C 13 58.430 0.300 . 1 . . . . 544 THR CA . 15728 1 98 . 1 1 9 9 THR CB C 13 68.763 0.300 . 1 . . . . 544 THR CB . 15728 1 99 . 1 1 9 9 THR CG2 C 13 19.936 0.300 . 1 . . . . 544 THR CG2 . 15728 1 100 . 1 1 9 9 THR N N 15 112.319 0.300 . 1 . . . . 544 THR N . 15728 1 101 . 1 1 10 10 GLY H H 1 9.037 0.020 . 1 . . . . 545 GLY H . 15728 1 102 . 1 1 10 10 GLY HA2 H 1 3.741 0.020 . 1 . . . . 545 GLY HA2 . 15728 1 103 . 1 1 10 10 GLY HA3 H 1 3.968 0.020 . 1 . . . . 545 GLY HA3 . 15728 1 104 . 1 1 10 10 GLY C C 13 175.911 0.300 . 1 . . . . 545 GLY C . 15728 1 105 . 1 1 10 10 GLY CA C 13 45.811 0.300 . 1 . . . . 545 GLY CA . 15728 1 106 . 1 1 10 10 GLY N N 15 108.046 0.300 . 1 . . . . 545 GLY N . 15728 1 107 . 1 1 11 11 GLY H H 1 8.631 0.020 . 1 . . . . 546 GLY H . 15728 1 108 . 1 1 11 11 GLY HA2 H 1 3.687 0.020 . 1 . . . . 546 GLY HA2 . 15728 1 109 . 1 1 11 11 GLY HA3 H 1 3.957 0.020 . 1 . . . . 546 GLY HA3 . 15728 1 110 . 1 1 11 11 GLY C C 13 175.991 0.300 . 1 . . . . 546 GLY C . 15728 1 111 . 1 1 11 11 GLY CA C 13 44.914 0.300 . 1 . . . . 546 GLY CA . 15728 1 112 . 1 1 11 11 GLY N N 15 107.437 0.300 . 1 . . . . 546 GLY N . 15728 1 113 . 1 1 12 12 GLU H H 1 7.831 0.020 . 1 . . . . 547 GLU H . 15728 1 114 . 1 1 12 12 GLU HA H 1 3.857 0.020 . 1 . . . . 547 GLU HA . 15728 1 115 . 1 1 12 12 GLU HB2 H 1 2.447 0.020 . 2 . . . . 547 GLU HB2 . 15728 1 116 . 1 1 12 12 GLU HB3 H 1 2.275 0.020 . 2 . . . . 547 GLU HB3 . 15728 1 117 . 1 1 12 12 GLU HG2 H 1 1.656 0.020 . 2 . . . . 547 GLU HG2 . 15728 1 118 . 1 1 12 12 GLU HG3 H 1 1.770 0.020 . 2 . . . . 547 GLU HG3 . 15728 1 119 . 1 1 12 12 GLU C C 13 177.938 0.300 . 1 . . . . 547 GLU C . 15728 1 120 . 1 1 12 12 GLU CA C 13 57.490 0.300 . 1 . . . . 547 GLU CA . 15728 1 121 . 1 1 12 12 GLU CB C 13 27.221 0.300 . 1 . . . . 547 GLU CB . 15728 1 122 . 1 1 12 12 GLU CG C 13 27.074 0.300 . 1 . . . . 547 GLU CG . 15728 1 123 . 1 1 12 12 GLU N N 15 120.024 0.300 . 1 . . . . 547 GLU N . 15728 1 124 . 1 1 13 13 ILE H H 1 8.100 0.020 . 1 . . . . 548 ILE H . 15728 1 125 . 1 1 13 13 ILE HA H 1 3.585 0.020 . 1 . . . . 548 ILE HA . 15728 1 126 . 1 1 13 13 ILE HB H 1 2.114 0.020 . 1 . . . . 548 ILE HB . 15728 1 127 . 1 1 13 13 ILE HD11 H 1 0.830 0.020 . 1 . . . . 548 ILE HD1 . 15728 1 128 . 1 1 13 13 ILE HD12 H 1 0.830 0.020 . 1 . . . . 548 ILE HD1 . 15728 1 129 . 1 1 13 13 ILE HD13 H 1 0.830 0.020 . 1 . . . . 548 ILE HD1 . 15728 1 130 . 1 1 13 13 ILE HG12 H 1 1.049 0.020 . 2 . . . . 548 ILE HG12 . 15728 1 131 . 1 1 13 13 ILE HG13 H 1 1.049 0.020 . 2 . . . . 548 ILE HG13 . 15728 1 132 . 1 1 13 13 ILE HG21 H 1 0.883 0.020 . 1 . . . . 548 ILE HG2 . 15728 1 133 . 1 1 13 13 ILE HG22 H 1 0.883 0.020 . 1 . . . . 548 ILE HG2 . 15728 1 134 . 1 1 13 13 ILE HG23 H 1 0.883 0.020 . 1 . . . . 548 ILE HG2 . 15728 1 135 . 1 1 13 13 ILE C C 13 177.648 0.300 . 1 . . . . 548 ILE C . 15728 1 136 . 1 1 13 13 ILE CA C 13 63.546 0.300 . 1 . . . . 548 ILE CA . 15728 1 137 . 1 1 13 13 ILE CB C 13 35.429 0.300 . 1 . . . . 548 ILE CB . 15728 1 138 . 1 1 13 13 ILE CD1 C 13 11.138 0.300 . 1 . . . . 548 ILE CD1 . 15728 1 139 . 1 1 13 13 ILE CG1 C 13 27.358 0.300 . 1 . . . . 548 ILE CG1 . 15728 1 140 . 1 1 13 13 ILE CG2 C 13 15.722 0.300 . 1 . . . . 548 ILE CG2 . 15728 1 141 . 1 1 13 13 ILE N N 15 118.800 0.300 . 1 . . . . 548 ILE N . 15728 1 142 . 1 1 14 14 VAL H H 1 8.096 0.020 . 1 . . . . 549 VAL H . 15728 1 143 . 1 1 14 14 VAL HA H 1 3.443 0.020 . 1 . . . . 549 VAL HA . 15728 1 144 . 1 1 14 14 VAL HB H 1 2.222 0.020 . 1 . . . . 549 VAL HB . 15728 1 145 . 1 1 14 14 VAL HG11 H 1 1.053 0.020 . 1 . . . . 549 VAL HG1 . 15728 1 146 . 1 1 14 14 VAL HG12 H 1 1.053 0.020 . 1 . . . . 549 VAL HG1 . 15728 1 147 . 1 1 14 14 VAL HG13 H 1 1.053 0.020 . 1 . . . . 549 VAL HG1 . 15728 1 148 . 1 1 14 14 VAL HG21 H 1 0.863 0.020 . 1 . . . . 549 VAL HG2 . 15728 1 149 . 1 1 14 14 VAL HG22 H 1 0.863 0.020 . 1 . . . . 549 VAL HG2 . 15728 1 150 . 1 1 14 14 VAL HG23 H 1 0.863 0.020 . 1 . . . . 549 VAL HG2 . 15728 1 151 . 1 1 14 14 VAL C C 13 176.989 0.300 . 1 . . . . 549 VAL C . 15728 1 152 . 1 1 14 14 VAL CA C 13 65.305 0.300 . 1 . . . . 549 VAL CA . 15728 1 153 . 1 1 14 14 VAL CB C 13 29.177 0.300 . 1 . . . . 549 VAL CB . 15728 1 154 . 1 1 14 14 VAL CG1 C 13 21.713 0.300 . 1 . . . . 549 VAL CG1 . 15728 1 155 . 1 1 14 14 VAL CG2 C 13 20.128 0.300 . 1 . . . . 549 VAL CG2 . 15728 1 156 . 1 1 14 14 VAL N N 15 118.225 0.300 . 1 . . . . 549 VAL N . 15728 1 157 . 1 1 15 15 ALA H H 1 8.157 0.020 . 1 . . . . 550 ALA H . 15728 1 158 . 1 1 15 15 ALA HA H 1 3.997 0.020 . 1 . . . . 550 ALA HA . 15728 1 159 . 1 1 15 15 ALA HB1 H 1 1.636 0.020 . 1 . . . . 550 ALA HB . 15728 1 160 . 1 1 15 15 ALA HB2 H 1 1.636 0.020 . 1 . . . . 550 ALA HB . 15728 1 161 . 1 1 15 15 ALA HB3 H 1 1.636 0.020 . 1 . . . . 550 ALA HB . 15728 1 162 . 1 1 15 15 ALA C C 13 179.176 0.300 . 1 . . . . 550 ALA C . 15728 1 163 . 1 1 15 15 ALA CA C 13 53.948 0.300 . 1 . . . . 550 ALA CA . 15728 1 164 . 1 1 15 15 ALA CB C 13 17.249 0.300 . 1 . . . . 550 ALA CB . 15728 1 165 . 1 1 15 15 ALA N N 15 121.108 0.300 . 1 . . . . 550 ALA N . 15728 1 166 . 1 1 16 16 VAL H H 1 8.226 0.020 . 1 . . . . 551 VAL H . 15728 1 167 . 1 1 16 16 VAL HA H 1 3.811 0.020 . 1 . . . . 551 VAL HA . 15728 1 168 . 1 1 16 16 VAL HB H 1 2.320 0.020 . 1 . . . . 551 VAL HB . 15728 1 169 . 1 1 16 16 VAL HG11 H 1 1.200 0.020 . 2 . . . . 551 VAL HG1 . 15728 1 170 . 1 1 16 16 VAL HG12 H 1 1.200 0.020 . 2 . . . . 551 VAL HG1 . 15728 1 171 . 1 1 16 16 VAL HG13 H 1 1.200 0.020 . 2 . . . . 551 VAL HG1 . 15728 1 172 . 1 1 16 16 VAL HG21 H 1 0.934 0.020 . 2 . . . . 551 VAL HG2 . 15728 1 173 . 1 1 16 16 VAL HG22 H 1 0.934 0.020 . 2 . . . . 551 VAL HG2 . 15728 1 174 . 1 1 16 16 VAL HG23 H 1 0.934 0.020 . 2 . . . . 551 VAL HG2 . 15728 1 175 . 1 1 16 16 VAL CA C 13 64.507 0.300 . 1 . . . . 551 VAL CA . 15728 1 176 . 1 1 16 16 VAL CB C 13 29.539 0.300 . 1 . . . . 551 VAL CB . 15728 1 177 . 1 1 16 16 VAL CG1 C 13 21.384 0.300 . 1 . . . . 551 VAL CG1 . 15728 1 178 . 1 1 16 16 VAL CG2 C 13 19.710 0.300 . 1 . . . . 551 VAL CG2 . 15728 1 179 . 1 1 16 16 VAL N N 15 117.300 0.300 . 1 . . . . 551 VAL N . 15728 1 180 . 1 1 17 17 ILE H H 1 7.969 0.020 . 1 . . . . 552 ILE H . 15728 1 181 . 1 1 17 17 ILE HA H 1 3.592 0.020 . 1 . . . . 552 ILE HA . 15728 1 182 . 1 1 17 17 ILE HB H 1 2.044 0.020 . 1 . . . . 552 ILE HB . 15728 1 183 . 1 1 17 17 ILE HD11 H 1 0.784 0.020 . 1 . . . . 552 ILE HD1 . 15728 1 184 . 1 1 17 17 ILE HD12 H 1 0.784 0.020 . 1 . . . . 552 ILE HD1 . 15728 1 185 . 1 1 17 17 ILE HD13 H 1 0.784 0.020 . 1 . . . . 552 ILE HD1 . 15728 1 186 . 1 1 17 17 ILE HG12 H 1 1.881 0.020 . 2 . . . . 552 ILE HG12 . 15728 1 187 . 1 1 17 17 ILE HG13 H 1 1.881 0.020 . 2 . . . . 552 ILE HG13 . 15728 1 188 . 1 1 17 17 ILE HG21 H 1 0.827 0.020 . 1 . . . . 552 ILE HG2 . 15728 1 189 . 1 1 17 17 ILE HG22 H 1 0.827 0.020 . 1 . . . . 552 ILE HG2 . 15728 1 190 . 1 1 17 17 ILE HG23 H 1 0.827 0.020 . 1 . . . . 552 ILE HG2 . 15728 1 191 . 1 1 17 17 ILE C C 13 177.269 0.300 . 1 . . . . 552 ILE C . 15728 1 192 . 1 1 17 17 ILE CA C 13 63.879 0.300 . 1 . . . . 552 ILE CA . 15728 1 193 . 1 1 17 17 ILE CB C 13 35.472 0.300 . 1 . . . . 552 ILE CB . 15728 1 194 . 1 1 17 17 ILE CD1 C 13 11.258 0.300 . 1 . . . . 552 ILE CD1 . 15728 1 195 . 1 1 17 17 ILE CG1 C 13 27.578 0.300 . 1 . . . . 552 ILE CG1 . 15728 1 196 . 1 1 17 17 ILE CG2 C 13 15.473 0.300 . 1 . . . . 552 ILE CG2 . 15728 1 197 . 1 1 17 17 ILE N N 15 119.250 0.300 . 1 . . . . 552 ILE N . 15728 1 198 . 1 1 18 18 PHE H H 1 8.905 0.020 . 1 . . . . 553 PHE H . 15728 1 199 . 1 1 18 18 PHE HA H 1 4.164 0.020 . 1 . . . . 553 PHE HA . 15728 1 200 . 1 1 18 18 PHE HB2 H 1 3.145 0.020 . 1 . . . . 553 PHE HB2 . 15728 1 201 . 1 1 18 18 PHE HB3 H 1 3.256 0.020 . 1 . . . . 553 PHE HB3 . 15728 1 202 . 1 1 18 18 PHE HD1 H 1 7.114 0.020 . 1 . . . . 553 PHE HD1 . 15728 1 203 . 1 1 18 18 PHE HD2 H 1 7.114 0.020 . 1 . . . . 553 PHE HD2 . 15728 1 204 . 1 1 18 18 PHE HE1 H 1 7.050 0.020 . 1 . . . . 553 PHE HE1 . 15728 1 205 . 1 1 18 18 PHE HE2 H 1 7.050 0.020 . 1 . . . . 553 PHE HE2 . 15728 1 206 . 1 1 18 18 PHE HZ H 1 6.985 0.020 . 1 . . . . 553 PHE HZ . 15728 1 207 . 1 1 18 18 PHE C C 13 177.219 0.300 . 1 . . . . 553 PHE C . 15728 1 208 . 1 1 18 18 PHE CA C 13 59.566 0.300 . 1 . . . . 553 PHE CA . 15728 1 209 . 1 1 18 18 PHE CB C 13 37.239 0.300 . 1 . . . . 553 PHE CB . 15728 1 210 . 1 1 18 18 PHE CZ C 13 131.513 0.300 . 1 . . . . 553 PHE CZ . 15728 1 211 . 1 1 18 18 PHE N N 15 118.584 0.300 . 1 . . . . 553 PHE N . 15728 1 212 . 1 1 19 19 GLY H H 1 8.786 0.020 . 1 . . . . 554 GLY H . 15728 1 213 . 1 1 19 19 GLY HA2 H 1 3.573 0.040 . 2 . . . . 554 GLY HA2 . 15728 1 214 . 1 1 19 19 GLY HA3 H 1 3.603 0.040 . 2 . . . . 554 GLY HA3 . 15728 1 215 . 1 1 19 19 GLY CA C 13 45.982 0.300 . 1 . . . . 554 GLY CA . 15728 1 216 . 1 1 19 19 GLY N N 15 105.717 0.300 . 1 . . . . 554 GLY N . 15728 1 217 . 1 1 20 20 LEU H H 1 8.539 0.020 . 1 . . . . 555 LEU H . 15728 1 218 . 1 1 20 20 LEU HA H 1 4.002 0.040 . 5 . . . . 555 LEU HA . 15728 1 219 . 1 1 20 20 LEU HB2 H 1 1.553 0.020 . 1 . . . . 555 LEU HB2 . 15728 1 220 . 1 1 20 20 LEU HB3 H 1 1.947 0.020 . 1 . . . . 555 LEU HB3 . 15728 1 221 . 1 1 20 20 LEU HD11 H 1 0.747 0.020 . 2 . . . . 555 LEU HD1 . 15728 1 222 . 1 1 20 20 LEU HD12 H 1 0.747 0.020 . 2 . . . . 555 LEU HD1 . 15728 1 223 . 1 1 20 20 LEU HD13 H 1 0.747 0.020 . 2 . . . . 555 LEU HD1 . 15728 1 224 . 1 1 20 20 LEU HD21 H 1 0.799 0.020 . 2 . . . . 555 LEU HD2 . 15728 1 225 . 1 1 20 20 LEU HD22 H 1 0.799 0.020 . 2 . . . . 555 LEU HD2 . 15728 1 226 . 1 1 20 20 LEU HD23 H 1 0.799 0.020 . 2 . . . . 555 LEU HD2 . 15728 1 227 . 1 1 20 20 LEU HG H 1 1.801 0.040 . 5 . . . . 555 LEU HG . 15728 1 228 . 1 1 20 20 LEU CA C 13 56.322 0.600 . 5 . . . . 555 LEU CA . 15728 1 229 . 1 1 20 20 LEU CB C 13 40.789 0.300 . 1 . . . . 555 LEU CB . 15728 1 230 . 1 1 20 20 LEU CD1 C 13 24.183 0.300 . 1 . . . . 555 LEU CD1 . 15728 1 231 . 1 1 20 20 LEU CD2 C 13 22.340 0.300 . 1 . . . . 555 LEU CD2 . 15728 1 232 . 1 1 20 20 LEU CG C 13 25.216 0.600 . 5 . . . . 555 LEU CG . 15728 1 233 . 1 1 20 20 LEU N N 15 122.573 0.300 . 1 . . . . 555 LEU N . 15728 1 234 . 1 1 21 21 LEU H H 1 7.905 0.020 . 1 . . . . 556 LEU H . 15728 1 235 . 1 1 21 21 LEU HA H 1 3.872 0.040 . 5 . . . . 556 LEU HA . 15728 1 236 . 1 1 21 21 LEU HB2 H 1 1.477 0.020 . 1 . . . . 556 LEU HB2 . 15728 1 237 . 1 1 21 21 LEU HB3 H 1 1.834 0.020 . 1 . . . . 556 LEU HB3 . 15728 1 238 . 1 1 21 21 LEU HD11 H 1 0.781 0.020 . 2 . . . . 556 LEU HD1 . 15728 1 239 . 1 1 21 21 LEU HD12 H 1 0.781 0.020 . 2 . . . . 556 LEU HD1 . 15728 1 240 . 1 1 21 21 LEU HD13 H 1 0.781 0.020 . 2 . . . . 556 LEU HD1 . 15728 1 241 . 1 1 21 21 LEU HD21 H 1 0.672 0.020 . 2 . . . . 556 LEU HD2 . 15728 1 242 . 1 1 21 21 LEU HD22 H 1 0.672 0.020 . 2 . . . . 556 LEU HD2 . 15728 1 243 . 1 1 21 21 LEU HD23 H 1 0.672 0.020 . 2 . . . . 556 LEU HD2 . 15728 1 244 . 1 1 21 21 LEU C C 13 178.956 0.300 . 1 . . . . 556 LEU C . 15728 1 245 . 1 1 21 21 LEU CA C 13 55.848 0.600 . 5 . . . . 556 LEU CA . 15728 1 246 . 1 1 21 21 LEU CB C 13 40.005 0.300 . 1 . . . . 556 LEU CB . 15728 1 247 . 1 1 21 21 LEU CD1 C 13 21.304 0.300 . 1 . . . . 556 LEU CD1 . 15728 1 248 . 1 1 21 21 LEU CD2 C 13 22.371 0.300 . 1 . . . . 556 LEU CD2 . 15728 1 249 . 1 1 21 21 LEU N N 15 117.245 0.300 . 1 . . . . 556 LEU N . 15728 1 250 . 1 1 22 22 LEU H H 1 8.291 0.020 . 1 . . . . 557 LEU H . 15728 1 251 . 1 1 22 22 LEU HA H 1 3.869 0.040 . 5 . . . . 557 LEU HA . 15728 1 252 . 1 1 22 22 LEU HB2 H 1 1.620 0.020 . 2 . . . . 557 LEU HB2 . 15728 1 253 . 1 1 22 22 LEU HB3 H 1 1.458 0.020 . 2 . . . . 557 LEU HB3 . 15728 1 254 . 1 1 22 22 LEU HD11 H 1 0.679 0.020 . 2 . . . . 557 LEU HD1 . 15728 1 255 . 1 1 22 22 LEU HD12 H 1 0.679 0.020 . 2 . . . . 557 LEU HD1 . 15728 1 256 . 1 1 22 22 LEU HD13 H 1 0.679 0.020 . 2 . . . . 557 LEU HD1 . 15728 1 257 . 1 1 22 22 LEU HD21 H 1 0.670 0.020 . 2 . . . . 557 LEU HD2 . 15728 1 258 . 1 1 22 22 LEU HD22 H 1 0.670 0.020 . 2 . . . . 557 LEU HD2 . 15728 1 259 . 1 1 22 22 LEU HD23 H 1 0.670 0.020 . 2 . . . . 557 LEU HD2 . 15728 1 260 . 1 1 22 22 LEU HG H 1 1.356 0.040 . 5 . . . . 557 LEU HG . 15728 1 261 . 1 1 22 22 LEU CA C 13 55.962 0.600 . 5 . . . . 557 LEU CA . 15728 1 262 . 1 1 22 22 LEU CB C 13 39.817 0.300 . 1 . . . . 557 LEU CB . 15728 1 263 . 1 1 22 22 LEU CD1 C 13 22.595 0.300 . 1 . . . . 557 LEU CD1 . 15728 1 264 . 1 1 22 22 LEU CD2 C 13 22.138 0.300 . 1 . . . . 557 LEU CD2 . 15728 1 265 . 1 1 22 22 LEU N N 15 118.184 0.300 . 1 . . . . 557 LEU N . 15728 1 266 . 1 1 23 23 GLY H H 1 9.021 0.020 . 1 . . . . 558 GLY H . 15728 1 267 . 1 1 23 23 GLY HA2 H 1 3.577 0.050 . 2 . . . . 558 GLY HA2 . 15728 1 268 . 1 1 23 23 GLY HA3 H 1 3.577 0.050 . 2 . . . . 558 GLY HA3 . 15728 1 269 . 1 1 23 23 GLY CA C 13 45.811 0.600 . 1 . . . . 558 GLY CA . 15728 1 270 . 1 1 23 23 GLY N N 15 106.576 0.300 . 1 . . . . 558 GLY N . 15728 1 271 . 1 1 24 24 ALA H H 1 8.011 0.020 . 1 . . . . 559 ALA H . 15728 1 272 . 1 1 24 24 ALA HA H 1 3.868 0.020 . 1 . . . . 559 ALA HA . 15728 1 273 . 1 1 24 24 ALA HB1 H 1 1.385 0.020 . 1 . . . . 559 ALA HB . 15728 1 274 . 1 1 24 24 ALA HB2 H 1 1.385 0.020 . 1 . . . . 559 ALA HB . 15728 1 275 . 1 1 24 24 ALA HB3 H 1 1.385 0.020 . 1 . . . . 559 ALA HB . 15728 1 276 . 1 1 24 24 ALA C C 13 178.567 0.300 . 1 . . . . 559 ALA C . 15728 1 277 . 1 1 24 24 ALA CA C 13 53.552 0.300 . 1 . . . . 559 ALA CA . 15728 1 278 . 1 1 24 24 ALA CB C 13 16.206 0.300 . 1 . . . . 559 ALA CB . 15728 1 279 . 1 1 24 24 ALA N N 15 121.592 0.300 . 1 . . . . 559 ALA N . 15728 1 280 . 1 1 25 25 ALA H H 1 8.264 0.020 . 1 . . . . 560 ALA H . 15728 1 281 . 1 1 25 25 ALA HA H 1 3.943 0.020 . 1 . . . . 560 ALA HA . 15728 1 282 . 1 1 25 25 ALA HB1 H 1 1.364 0.020 . 1 . . . . 560 ALA HB . 15728 1 283 . 1 1 25 25 ALA HB2 H 1 1.364 0.020 . 1 . . . . 560 ALA HB . 15728 1 284 . 1 1 25 25 ALA HB3 H 1 1.364 0.020 . 1 . . . . 560 ALA HB . 15728 1 285 . 1 1 25 25 ALA C C 13 179.116 0.300 . 1 . . . . 560 ALA C . 15728 1 286 . 1 1 25 25 ALA CA C 13 53.351 0.300 . 1 . . . . 560 ALA CA . 15728 1 287 . 1 1 25 25 ALA CB C 13 17.241 0.300 . 1 . . . . 560 ALA CB . 15728 1 288 . 1 1 25 25 ALA N N 15 118.624 0.300 . 1 . . . . 560 ALA N . 15728 1 289 . 1 1 26 26 LEU H H 1 8.560 0.020 . 1 . . . . 561 LEU H . 15728 1 290 . 1 1 26 26 LEU HA H 1 3.951 0.040 . 5 . . . . 561 LEU HA . 15728 1 291 . 1 1 26 26 LEU HB2 H 1 1.796 0.020 . 2 . . . . 561 LEU HB2 . 15728 1 292 . 1 1 26 26 LEU HB3 H 1 1.569 0.020 . 2 . . . . 561 LEU HB3 . 15728 1 293 . 1 1 26 26 LEU HD11 H 1 0.890 0.020 . 2 . . . . 561 LEU HD1 . 15728 1 294 . 1 1 26 26 LEU HD12 H 1 0.890 0.020 . 2 . . . . 561 LEU HD1 . 15728 1 295 . 1 1 26 26 LEU HD13 H 1 0.890 0.020 . 2 . . . . 561 LEU HD1 . 15728 1 296 . 1 1 26 26 LEU HD21 H 1 0.890 0.020 . 2 . . . . 561 LEU HD2 . 15728 1 297 . 1 1 26 26 LEU HD22 H 1 0.890 0.020 . 2 . . . . 561 LEU HD2 . 15728 1 298 . 1 1 26 26 LEU HD23 H 1 0.890 0.020 . 2 . . . . 561 LEU HD2 . 15728 1 299 . 1 1 26 26 LEU HG H 1 1.637 0.040 . 5 . . . . 561 LEU HG . 15728 1 300 . 1 1 26 26 LEU C C 13 178.188 0.300 . 1 . . . . 561 LEU C . 15728 1 301 . 1 1 26 26 LEU CA C 13 56.219 0.600 . 5 . . . . 561 LEU CA . 15728 1 302 . 1 1 26 26 LEU CB C 13 39.958 0.300 . 1 . . . . 561 LEU CB . 15728 1 303 . 1 1 26 26 LEU CD1 C 13 22.343 0.300 . 1 . . . . 561 LEU CD1 . 15728 1 304 . 1 1 26 26 LEU CD2 C 13 22.622 0.300 . 1 . . . . 561 LEU CD2 . 15728 1 305 . 1 1 26 26 LEU CG C 13 24.935 0.600 . 5 . . . . 561 LEU CG . 15728 1 306 . 1 1 26 26 LEU N N 15 116.632 0.300 . 1 . . . . 561 LEU N . 15728 1 307 . 1 1 27 27 LEU H H 1 7.889 0.020 . 1 . . . . 562 LEU H . 15728 1 308 . 1 1 27 27 LEU HA H 1 4.017 0.040 . 5 . . . . 562 LEU HA . 15728 1 309 . 1 1 27 27 LEU HB2 H 1 1.791 0.020 . 1 . . . . 562 LEU HB2 . 15728 1 310 . 1 1 27 27 LEU HB3 H 1 2.011 0.020 . 1 . . . . 562 LEU HB3 . 15728 1 311 . 1 1 27 27 LEU HD11 H 1 0.901 0.020 . 2 . . . . 562 LEU HD1 . 15728 1 312 . 1 1 27 27 LEU HD12 H 1 0.901 0.020 . 2 . . . . 562 LEU HD1 . 15728 1 313 . 1 1 27 27 LEU HD13 H 1 0.901 0.020 . 2 . . . . 562 LEU HD1 . 15728 1 314 . 1 1 27 27 LEU HD21 H 1 0.808 0.020 . 2 . . . . 562 LEU HD2 . 15728 1 315 . 1 1 27 27 LEU HD22 H 1 0.808 0.020 . 2 . . . . 562 LEU HD2 . 15728 1 316 . 1 1 27 27 LEU HD23 H 1 0.808 0.020 . 2 . . . . 562 LEU HD2 . 15728 1 317 . 1 1 27 27 LEU HG H 1 1.522 0.040 . 5 . . . . 562 LEU HG . 15728 1 318 . 1 1 27 27 LEU C C 13 178.477 0.300 . 1 . . . . 562 LEU C . 15728 1 319 . 1 1 27 27 LEU CA C 13 56.287 0.600 . 5 . . . . 562 LEU CA . 15728 1 320 . 1 1 27 27 LEU CB C 13 39.709 0.300 . 1 . . . . 562 LEU CB . 15728 1 321 . 1 1 27 27 LEU CD1 C 13 23.196 0.300 . 1 . . . . 562 LEU CD1 . 15728 1 322 . 1 1 27 27 LEU CD2 C 13 22.588 0.300 . 1 . . . . 562 LEU CD2 . 15728 1 323 . 1 1 27 27 LEU N N 15 117.828 0.300 . 1 . . . . 562 LEU N . 15728 1 324 . 1 1 28 28 LEU H H 1 8.307 0.020 . 1 . . . . 563 LEU H . 15728 1 325 . 1 1 28 28 LEU HA H 1 3.960 0.040 . 5 . . . . 563 LEU HA . 15728 1 326 . 1 1 28 28 LEU HB2 H 1 1.545 0.020 . 2 . . . . 563 LEU HB2 . 15728 1 327 . 1 1 28 28 LEU HB3 H 1 1.929 0.020 . 2 . . . . 563 LEU HB3 . 15728 1 328 . 1 1 28 28 LEU HD11 H 1 0.744 0.020 . 2 . . . . 563 LEU HD1 . 15728 1 329 . 1 1 28 28 LEU HD12 H 1 0.744 0.020 . 2 . . . . 563 LEU HD1 . 15728 1 330 . 1 1 28 28 LEU HD13 H 1 0.744 0.020 . 2 . . . . 563 LEU HD1 . 15728 1 331 . 1 1 28 28 LEU HD21 H 1 0.773 0.020 . 2 . . . . 563 LEU HD2 . 15728 1 332 . 1 1 28 28 LEU HD22 H 1 0.773 0.020 . 2 . . . . 563 LEU HD2 . 15728 1 333 . 1 1 28 28 LEU HD23 H 1 0.773 0.020 . 2 . . . . 563 LEU HD2 . 15728 1 334 . 1 1 28 28 LEU HG H 1 1.391 0.040 . 5 . . . . 563 LEU HG . 15728 1 335 . 1 1 28 28 LEU C C 13 178.457 0.300 . 1 . . . . 563 LEU C . 15728 1 336 . 1 1 28 28 LEU CA C 13 56.283 0.600 . 5 . . . . 563 LEU CA . 15728 1 337 . 1 1 28 28 LEU CB C 13 39.654 0.300 . 1 . . . . 563 LEU CB . 15728 1 338 . 1 1 28 28 LEU CD1 C 13 21.177 0.300 . 1 . . . . 563 LEU CD1 . 15728 1 339 . 1 1 28 28 LEU CD2 C 13 23.751 0.300 . 1 . . . . 563 LEU CD2 . 15728 1 340 . 1 1 28 28 LEU N N 15 117.768 0.300 . 1 . . . . 563 LEU N . 15728 1 341 . 1 1 29 29 GLY H H 1 8.650 0.020 . 1 . . . . 564 GLY H . 15728 1 342 . 1 1 29 29 GLY HA2 H 1 3.609 0.020 . 2 . . . . 564 GLY HA2 . 15728 1 343 . 1 1 29 29 GLY HA3 H 1 3.953 0.020 . 2 . . . . 564 GLY HA3 . 15728 1 344 . 1 1 29 29 GLY C C 13 174.822 0.300 . 1 . . . . 564 GLY C . 15728 1 345 . 1 1 29 29 GLY CA C 13 45.740 0.300 . 1 . . . . 564 GLY CA . 15728 1 346 . 1 1 29 29 GLY N N 15 105.295 0.300 . 1 . . . . 564 GLY N . 15728 1 347 . 1 1 30 30 ILE H H 1 8.330 0.020 . 1 . . . . 565 ILE H . 15728 1 348 . 1 1 30 30 ILE HA H 1 3.758 0.020 . 1 . . . . 565 ILE HA . 15728 1 349 . 1 1 30 30 ILE HB H 1 2.105 0.020 . 1 . . . . 565 ILE HB . 15728 1 350 . 1 1 30 30 ILE HD11 H 1 0.809 0.020 . 1 . . . . 565 ILE HD1 . 15728 1 351 . 1 1 30 30 ILE HD12 H 1 0.809 0.020 . 1 . . . . 565 ILE HD1 . 15728 1 352 . 1 1 30 30 ILE HD13 H 1 0.809 0.020 . 1 . . . . 565 ILE HD1 . 15728 1 353 . 1 1 30 30 ILE HG12 H 1 1.942 0.020 . 2 . . . . 565 ILE HG12 . 15728 1 354 . 1 1 30 30 ILE HG13 H 1 1.942 0.020 . 2 . . . . 565 ILE HG13 . 15728 1 355 . 1 1 30 30 ILE HG21 H 1 0.929 0.020 . 1 . . . . 565 ILE HG2 . 15728 1 356 . 1 1 30 30 ILE HG22 H 1 0.929 0.020 . 1 . . . . 565 ILE HG2 . 15728 1 357 . 1 1 30 30 ILE HG23 H 1 0.929 0.020 . 1 . . . . 565 ILE HG2 . 15728 1 358 . 1 1 30 30 ILE C C 13 177.349 0.300 . 1 . . . . 565 ILE C . 15728 1 359 . 1 1 30 30 ILE CA C 13 63.616 0.300 . 1 . . . . 565 ILE CA . 15728 1 360 . 1 1 30 30 ILE CB C 13 35.830 0.300 . 1 . . . . 565 ILE CB . 15728 1 361 . 1 1 30 30 ILE CD1 C 13 11.859 0.300 . 1 . . . . 565 ILE CD1 . 15728 1 362 . 1 1 30 30 ILE CG1 C 13 27.481 0.300 . 1 . . . . 565 ILE CG1 . 15728 1 363 . 1 1 30 30 ILE CG2 C 13 15.465 0.300 . 1 . . . . 565 ILE CG2 . 15728 1 364 . 1 1 30 30 ILE N N 15 120.987 0.300 . 1 . . . . 565 ILE N . 15728 1 365 . 1 1 31 31 LEU H H 1 8.130 0.020 . 1 . . . . 566 LEU H . 15728 1 366 . 1 1 31 31 LEU HA H 1 3.967 0.040 . 5 . . . . 566 LEU HA . 15728 1 367 . 1 1 31 31 LEU HB2 H 1 1.567 0.020 . 2 . . . . 566 LEU HB2 . 15728 1 368 . 1 1 31 31 LEU HB3 H 1 1.768 0.020 . 2 . . . . 566 LEU HB3 . 15728 1 369 . 1 1 31 31 LEU HD11 H 1 0.769 0.020 . 2 . . . . 566 LEU HD1 . 15728 1 370 . 1 1 31 31 LEU HD12 H 1 0.769 0.020 . 2 . . . . 566 LEU HD1 . 15728 1 371 . 1 1 31 31 LEU HD13 H 1 0.769 0.020 . 2 . . . . 566 LEU HD1 . 15728 1 372 . 1 1 31 31 LEU HD21 H 1 0.789 0.020 . 2 . . . . 566 LEU HD2 . 15728 1 373 . 1 1 31 31 LEU HD22 H 1 0.789 0.020 . 2 . . . . 566 LEU HD2 . 15728 1 374 . 1 1 31 31 LEU HD23 H 1 0.789 0.020 . 2 . . . . 566 LEU HD2 . 15728 1 375 . 1 1 31 31 LEU C C 13 179.606 0.300 . 1 . . . . 566 LEU C . 15728 1 376 . 1 1 31 31 LEU CA C 13 56.269 0.600 . 5 . . . . 566 LEU CA . 15728 1 377 . 1 1 31 31 LEU CB C 13 40.269 0.300 . 1 . . . . 566 LEU CB . 15728 1 378 . 1 1 31 31 LEU CD1 C 13 23.525 0.300 . 1 . . . . 566 LEU CD1 . 15728 1 379 . 1 1 31 31 LEU CD2 C 13 21.197 0.300 . 1 . . . . 566 LEU CD2 . 15728 1 380 . 1 1 31 31 LEU N N 15 118.687 0.300 . 1 . . . . 566 LEU N . 15728 1 381 . 1 1 32 32 VAL H H 1 8.496 0.020 . 1 . . . . 567 VAL H . 15728 1 382 . 1 1 32 32 VAL HA H 1 3.649 0.020 . 1 . . . . 567 VAL HA . 15728 1 383 . 1 1 32 32 VAL HB H 1 2.126 0.020 . 1 . . . . 567 VAL HB . 15728 1 384 . 1 1 32 32 VAL HG11 H 1 0.766 0.020 . 2 . . . . 567 VAL HG1 . 15728 1 385 . 1 1 32 32 VAL HG12 H 1 0.766 0.020 . 2 . . . . 567 VAL HG1 . 15728 1 386 . 1 1 32 32 VAL HG13 H 1 0.766 0.020 . 2 . . . . 567 VAL HG1 . 15728 1 387 . 1 1 32 32 VAL HG21 H 1 0.993 0.020 . 2 . . . . 567 VAL HG2 . 15728 1 388 . 1 1 32 32 VAL HG22 H 1 0.993 0.020 . 2 . . . . 567 VAL HG2 . 15728 1 389 . 1 1 32 32 VAL HG23 H 1 0.993 0.020 . 2 . . . . 567 VAL HG2 . 15728 1 390 . 1 1 32 32 VAL C C 13 44.775 0.300 . 1 . . . . 567 VAL C . 15728 1 391 . 1 1 32 32 VAL CA C 13 64.248 0.300 . 1 . . . . 567 VAL CA . 15728 1 392 . 1 1 32 32 VAL CB C 13 29.843 0.300 . 1 . . . . 567 VAL CB . 15728 1 393 . 1 1 32 32 VAL CG1 C 13 19.451 0.300 . 1 . . . . 567 VAL CG1 . 15728 1 394 . 1 1 32 32 VAL CG2 C 13 20.885 0.300 . 1 . . . . 567 VAL CG2 . 15728 1 395 . 1 1 32 32 VAL N N 15 118.274 0.300 . 1 . . . . 567 VAL N . 15728 1 396 . 1 1 33 33 PHE H H 1 8.391 0.020 . 1 . . . . 568 PHE H . 15728 1 397 . 1 1 33 33 PHE HA H 1 4.261 0.020 . 1 . . . . 568 PHE HA . 15728 1 398 . 1 1 33 33 PHE HB2 H 1 3.259 0.020 . 1 . . . . 568 PHE HB2 . 15728 1 399 . 1 1 33 33 PHE HB3 H 1 3.150 0.020 . 1 . . . . 568 PHE HB3 . 15728 1 400 . 1 1 33 33 PHE HD1 H 1 7.255 0.020 . 1 . . . . 568 PHE HD1 . 15728 1 401 . 1 1 33 33 PHE HD2 H 1 7.255 0.020 . 1 . . . . 568 PHE HD2 . 15728 1 402 . 1 1 33 33 PHE HE1 H 1 7.230 0.020 . 1 . . . . 568 PHE HE1 . 15728 1 403 . 1 1 33 33 PHE HE2 H 1 7.230 0.020 . 1 . . . . 568 PHE HE2 . 15728 1 404 . 1 1 33 33 PHE HZ H 1 7.299 0.020 . 1 . . . . 568 PHE HZ . 15728 1 405 . 1 1 33 33 PHE C C 13 177.519 0.300 . 1 . . . . 568 PHE C . 15728 1 406 . 1 1 33 33 PHE CA C 13 59.255 0.300 . 1 . . . . 568 PHE CA . 15728 1 407 . 1 1 33 33 PHE CB C 13 37.293 0.300 . 1 . . . . 568 PHE CB . 15728 1 408 . 1 1 33 33 PHE CZ C 13 134.622 0.300 . 1 . . . . 568 PHE CZ . 15728 1 409 . 1 1 33 33 PHE N N 15 119.422 0.300 . 1 . . . . 568 PHE N . 15728 1 410 . 1 1 34 34 ARG H H 1 8.346 0.020 . 1 . . . . 569 ARG H . 15728 1 411 . 1 1 34 34 ARG HA H 1 4.129 0.020 . 1 . . . . 569 ARG HA . 15728 1 412 . 1 1 34 34 ARG HB2 H 1 1.945 0.020 . 2 . . . . 569 ARG HB2 . 15728 1 413 . 1 1 34 34 ARG HB3 H 1 2.043 0.020 . 2 . . . . 569 ARG HB3 . 15728 1 414 . 1 1 34 34 ARG HD2 H 1 3.148 0.040 . 5 . . . . 569 ARG HD2 . 15728 1 415 . 1 1 34 34 ARG HD3 H 1 3.254 0.040 . 5 . . . . 569 ARG HD3 . 15728 1 416 . 1 1 34 34 ARG HG2 H 1 1.826 0.040 . 5 . . . . 569 ARG HG2 . 15728 1 417 . 1 1 34 34 ARG HG3 H 1 1.826 0.040 . 5 . . . . 569 ARG HG3 . 15728 1 418 . 1 1 34 34 ARG C C 13 177.209 0.300 . 1 . . . . 569 ARG C . 15728 1 419 . 1 1 34 34 ARG CA C 13 55.596 0.300 . 1 . . . . 569 ARG CA . 15728 1 420 . 1 1 34 34 ARG CB C 13 28.150 0.300 . 1 . . . . 569 ARG CB . 15728 1 421 . 1 1 34 34 ARG CD C 13 41.323 0.600 . 5 . . . . 569 ARG CD . 15728 1 422 . 1 1 34 34 ARG CG C 13 25.531 0.600 . 5 . . . . 569 ARG CG . 15728 1 423 . 1 1 34 34 ARG N N 15 116.966 0.300 . 1 . . . . 569 ARG N . 15728 1 424 . 1 1 35 35 SER H H 1 7.834 0.020 . 1 . . . . 570 SER H . 15728 1 425 . 1 1 35 35 SER HA H 1 4.368 0.020 . 1 . . . . 570 SER HA . 15728 1 426 . 1 1 35 35 SER HB2 H 1 3.946 0.020 . 2 . . . . 570 SER HB2 . 15728 1 427 . 1 1 35 35 SER HB3 H 1 3.946 0.020 . 2 . . . . 570 SER HB3 . 15728 1 428 . 1 1 35 35 SER C C 13 174.473 0.300 . 1 . . . . 570 SER C . 15728 1 429 . 1 1 35 35 SER CA C 13 57.937 0.300 . 1 . . . . 570 SER CA . 15728 1 430 . 1 1 35 35 SER CB C 13 61.812 0.300 . 1 . . . . 570 SER CB . 15728 1 431 . 1 1 35 35 SER N N 15 114.052 0.300 . 1 . . . . 570 SER N . 15728 1 432 . 1 1 36 36 ARG H H 1 7.630 0.020 . 1 . . . . 571 ARG H . 15728 1 433 . 1 1 36 36 ARG HA H 1 4.316 0.020 . 1 . . . . 571 ARG HA . 15728 1 434 . 1 1 36 36 ARG HB2 H 1 1.904 0.020 . 1 . . . . 571 ARG HB2 . 15728 1 435 . 1 1 36 36 ARG HD2 H 1 3.121 0.040 . 5 . . . . 571 ARG HD2 . 15728 1 436 . 1 1 36 36 ARG HG2 H 1 1.675 0.040 . 5 . . . . 571 ARG HG2 . 15728 1 437 . 1 1 36 36 ARG HG3 H 1 1.607 0.040 . 5 . . . . 571 ARG HG3 . 15728 1 438 . 1 1 36 36 ARG C C 13 175.901 0.300 . 1 . . . . 571 ARG C . 15728 1 439 . 1 1 36 36 ARG CA C 13 54.064 0.300 . 1 . . . . 571 ARG CA . 15728 1 440 . 1 1 36 36 ARG CB C 13 28.753 0.300 . 1 . . . . 571 ARG CB . 15728 1 441 . 1 1 36 36 ARG CD C 13 41.340 0.600 . 5 . . . . 571 ARG CD . 15728 1 442 . 1 1 36 36 ARG CG C 13 25.127 0.600 . 5 . . . . 571 ARG CG . 15728 1 443 . 1 1 36 36 ARG N N 15 120.458 0.300 . 1 . . . . 571 ARG N . 15728 1 444 . 1 1 37 37 ARG H H 1 7.935 0.020 . 1 . . . . 572 ARG H . 15728 1 445 . 1 1 37 37 ARG HA H 1 4.312 0.020 . 1 . . . . 572 ARG HA . 15728 1 446 . 1 1 37 37 ARG HB2 H 1 1.777 0.020 . 1 . . . . 572 ARG HB2 . 15728 1 447 . 1 1 37 37 ARG HB3 H 1 1.865 0.020 . 1 . . . . 572 ARG HB3 . 15728 1 448 . 1 1 37 37 ARG HD2 H 1 3.130 0.040 . 5 . . . . 572 ARG HD2 . 15728 1 449 . 1 1 37 37 ARG HG2 H 1 1.620 0.040 . 5 . . . . 572 ARG HG2 . 15728 1 450 . 1 1 37 37 ARG C C 13 174.752 0.300 . 1 . . . . 572 ARG C . 15728 1 451 . 1 1 37 37 ARG CA C 13 54.001 0.300 . 1 . . . . 572 ARG CA . 15728 1 452 . 1 1 37 37 ARG CB C 13 28.692 0.300 . 1 . . . . 572 ARG CB . 15728 1 453 . 1 1 37 37 ARG CD C 13 41.269 0.600 . 5 . . . . 572 ARG CD . 15728 1 454 . 1 1 37 37 ARG CG C 13 25.042 0.600 . 5 . . . . 572 ARG CG . 15728 1 455 . 1 1 37 37 ARG N N 15 121.135 0.300 . 1 . . . . 572 ARG N . 15728 1 456 . 1 1 38 38 ALA H H 1 7.790 0.020 . 1 . . . . 573 ALA H . 15728 1 457 . 1 1 38 38 ALA HA H 1 4.108 0.020 . 1 . . . . 573 ALA HA . 15728 1 458 . 1 1 38 38 ALA HB1 H 1 1.315 0.020 . 1 . . . . 573 ALA HB . 15728 1 459 . 1 1 38 38 ALA HB2 H 1 1.315 0.020 . 1 . . . . 573 ALA HB . 15728 1 460 . 1 1 38 38 ALA HB3 H 1 1.315 0.020 . 1 . . . . 573 ALA HB . 15728 1 461 . 1 1 38 38 ALA CA C 13 51.720 0.300 . 1 . . . . 573 ALA CA . 15728 1 462 . 1 1 38 38 ALA CB C 13 18.293 0.300 . 1 . . . . 573 ALA CB . 15728 1 463 . 1 1 38 38 ALA N N 15 110.202 0.300 . 1 . . . . 573 ALA N . 15728 1 stop_ save_