################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36165 1 2 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36165 1 3 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36165 1 4 '3D HNCA' 1 $sample_1 isotropic 36165 1 5 '3D HNCACB' 1 $sample_1 isotropic 36165 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36165 1 7 '3D HNCO' 1 $sample_1 isotropic 36165 1 8 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36165 1 9 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 PRO HA H 1 4.450 0.030 . 1 . . . . A 688 PRO HA . 36165 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.478 0.030 . 2 . . . . A 688 PRO HB2 . 36165 1 3 . 1 . 1 1 1 PRO HB3 H 1 2.078 0.030 . 2 . . . . A 688 PRO HB3 . 36165 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.070 0.030 . 2 . . . . A 688 PRO HG2 . 36165 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.070 0.030 . 2 . . . . A 688 PRO HG3 . 36165 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.452 0.030 . 2 . . . . A 688 PRO HD2 . 36165 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.384 0.030 . 2 . . . . A 688 PRO HD3 . 36165 1 8 . 1 . 1 1 1 PRO C C 13 172.594 0.300 . 1 . . . . A 688 PRO C . 36165 1 9 . 1 . 1 1 1 PRO CA C 13 62.612 0.300 . 1 . . . . A 688 PRO CA . 36165 1 10 . 1 . 1 1 1 PRO CB C 13 32.407 0.300 . 1 . . . . A 688 PRO CB . 36165 1 11 . 1 . 1 1 1 PRO CG C 13 26.589 0.300 . 1 . . . . A 688 PRO CG . 36165 1 12 . 1 . 1 1 1 PRO CD C 13 49.402 0.300 . 1 . . . . A 688 PRO CD . 36165 1 13 . 1 . 1 2 2 VAL H H 1 8.580 0.030 . 1 . . . . A 689 VAL H . 36165 1 14 . 1 . 1 2 2 VAL HA H 1 4.150 0.030 . 1 . . . . A 689 VAL HA . 36165 1 15 . 1 . 1 2 2 VAL HB H 1 2.112 0.030 . 1 . . . . A 689 VAL HB . 36165 1 16 . 1 . 1 2 2 VAL HG11 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG11 . 36165 1 17 . 1 . 1 2 2 VAL HG12 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG12 . 36165 1 18 . 1 . 1 2 2 VAL HG13 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG13 . 36165 1 19 . 1 . 1 2 2 VAL HG21 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG21 . 36165 1 20 . 1 . 1 2 2 VAL HG22 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG22 . 36165 1 21 . 1 . 1 2 2 VAL HG23 H 1 0.949 0.030 . 2 . . . . A 689 VAL HG23 . 36165 1 22 . 1 . 1 2 2 VAL C C 13 175.428 0.300 . 1 . . . . A 689 VAL C . 36165 1 23 . 1 . 1 2 2 VAL CA C 13 62.753 0.300 . 1 . . . . A 689 VAL CA . 36165 1 24 . 1 . 1 2 2 VAL CB C 13 32.866 0.300 . 1 . . . . A 689 VAL CB . 36165 1 25 . 1 . 1 2 2 VAL CG1 C 13 20.618 0.300 . 2 . . . . A 689 VAL CG1 . 36165 1 26 . 1 . 1 2 2 VAL CG2 C 13 20.618 0.300 . 2 . . . . A 689 VAL CG2 . 36165 1 27 . 1 . 1 2 2 VAL N N 15 119.474 0.300 . 1 . . . . A 689 VAL N . 36165 1 28 . 1 . 1 3 3 ASP H H 1 8.445 0.030 . 1 . . . . A 690 ASP H . 36165 1 29 . 1 . 1 3 3 ASP HA H 1 4.629 0.030 . 1 . . . . A 690 ASP HA . 36165 1 30 . 1 . 1 3 3 ASP HB2 H 1 2.742 0.030 . 2 . . . . A 690 ASP HB2 . 36165 1 31 . 1 . 1 3 3 ASP HB3 H 1 2.625 0.030 . 2 . . . . A 690 ASP HB3 . 36165 1 32 . 1 . 1 3 3 ASP C C 13 176.216 0.300 . 1 . . . . A 690 ASP C . 36165 1 33 . 1 . 1 3 3 ASP CA C 13 54.173 0.300 . 1 . . . . A 690 ASP CA . 36165 1 34 . 1 . 1 3 3 ASP CB C 13 41.156 0.300 . 1 . . . . A 690 ASP CB . 36165 1 35 . 1 . 1 3 3 ASP N N 15 123.794 0.300 . 1 . . . . A 690 ASP N . 36165 1 36 . 1 . 1 4 4 GLU H H 1 8.482 0.030 . 1 . . . . A 691 GLU H . 36165 1 37 . 1 . 1 4 4 GLU HA H 1 4.309 0.030 . 1 . . . . A 691 GLU HA . 36165 1 38 . 1 . 1 4 4 GLU HB2 H 1 2.115 0.030 . 2 . . . . A 691 GLU HB2 . 36165 1 39 . 1 . 1 4 4 GLU HB3 H 1 1.940 0.030 . 2 . . . . A 691 GLU HB3 . 36165 1 40 . 1 . 1 4 4 GLU HG2 H 1 2.275 0.030 . 2 . . . . A 691 GLU HG2 . 36165 1 41 . 1 . 1 4 4 GLU HG3 H 1 2.306 0.030 . 2 . . . . A 691 GLU HG3 . 36165 1 42 . 1 . 1 4 4 GLU C C 13 176.619 0.300 . 1 . . . . A 691 GLU C . 36165 1 43 . 1 . 1 4 4 GLU CA C 13 56.749 0.300 . 1 . . . . A 691 GLU CA . 36165 1 44 . 1 . 1 4 4 GLU CB C 13 30.047 0.300 . 1 . . . . A 691 GLU CB . 36165 1 45 . 1 . 1 4 4 GLU CG C 13 36.332 0.300 . 1 . . . . A 691 GLU CG . 36165 1 46 . 1 . 1 4 4 GLU N N 15 122.414 0.300 . 1 . . . . A 691 GLU N . 36165 1 47 . 1 . 1 5 5 SER H H 1 8.443 0.030 . 1 . . . . A 692 SER H . 36165 1 48 . 1 . 1 5 5 SER HA H 1 4.412 0.030 . 1 . . . . A 692 SER HA . 36165 1 49 . 1 . 1 5 5 SER HB2 H 1 3.926 0.030 . 2 . . . . A 692 SER HB2 . 36165 1 50 . 1 . 1 5 5 SER HB3 H 1 3.926 0.030 . 2 . . . . A 692 SER HB3 . 36165 1 51 . 1 . 1 5 5 SER C C 13 174.789 0.300 . 1 . . . . A 692 SER C . 36165 1 52 . 1 . 1 5 5 SER CA C 13 58.923 0.300 . 1 . . . . A 692 SER CA . 36165 1 53 . 1 . 1 5 5 SER CB C 13 63.790 0.300 . 1 . . . . A 692 SER CB . 36165 1 54 . 1 . 1 5 5 SER N N 15 116.890 0.300 . 1 . . . . A 692 SER N . 36165 1 55 . 1 . 1 6 6 ARG H H 1 8.256 0.030 . 1 . . . . A 693 ARG H . 36165 1 56 . 1 . 1 6 6 ARG HA H 1 4.378 0.030 . 1 . . . . A 693 ARG HA . 36165 1 57 . 1 . 1 6 6 ARG HB2 H 1 1.917 0.030 . 2 . . . . A 693 ARG HB2 . 36165 1 58 . 1 . 1 6 6 ARG HB3 H 1 1.774 0.030 . 2 . . . . A 693 ARG HB3 . 36165 1 59 . 1 . 1 6 6 ARG HG2 H 1 1.641 0.030 . 2 . . . . A 693 ARG HG2 . 36165 1 60 . 1 . 1 6 6 ARG HG3 H 1 1.641 0.030 . 2 . . . . A 693 ARG HG3 . 36165 1 61 . 1 . 1 6 6 ARG HD2 H 1 3.220 0.030 . 2 . . . . A 693 ARG HD2 . 36165 1 62 . 1 . 1 6 6 ARG HD3 H 1 3.235 0.030 . 2 . . . . A 693 ARG HD3 . 36165 1 63 . 1 . 1 6 6 ARG HE H 1 7.455 0.030 . 1 . . . . A 693 ARG HE . 36165 1 64 . 1 . 1 6 6 ARG C C 13 176.265 0.300 . 1 . . . . A 693 ARG C . 36165 1 65 . 1 . 1 6 6 ARG CA C 13 56.187 0.300 . 1 . . . . A 693 ARG CA . 36165 1 66 . 1 . 1 6 6 ARG CB C 13 30.764 0.300 . 1 . . . . A 693 ARG CB . 36165 1 67 . 1 . 1 6 6 ARG CG C 13 27.106 0.300 . 1 . . . . A 693 ARG CG . 36165 1 68 . 1 . 1 6 6 ARG CD C 13 43.372 0.300 . 1 . . . . A 693 ARG CD . 36165 1 69 . 1 . 1 6 6 ARG N N 15 122.658 0.300 . 1 . . . . A 693 ARG N . 36165 1 70 . 1 . 1 6 6 ARG NE N 15 84.715 0.300 . 1 . . . . A 693 ARG NE . 36165 1 71 . 1 . 1 7 7 GLU H H 1 8.350 0.030 . 1 . . . . A 694 GLU H . 36165 1 72 . 1 . 1 7 7 GLU HA H 1 4.302 0.030 . 1 . . . . A 694 GLU HA . 36165 1 73 . 1 . 1 7 7 GLU HB2 H 1 2.061 0.030 . 2 . . . . A 694 GLU HB2 . 36165 1 74 . 1 . 1 7 7 GLU HB3 H 1 1.945 0.030 . 2 . . . . A 694 GLU HB3 . 36165 1 75 . 1 . 1 7 7 GLU HG2 H 1 2.273 0.030 . 2 . . . . A 694 GLU HG2 . 36165 1 76 . 1 . 1 7 7 GLU HG3 H 1 2.273 0.030 . 2 . . . . A 694 GLU HG3 . 36165 1 77 . 1 . 1 7 7 GLU C C 13 176.491 0.300 . 1 . . . . A 694 GLU C . 36165 1 78 . 1 . 1 7 7 GLU CA C 13 56.868 0.300 . 1 . . . . A 694 GLU CA . 36165 1 79 . 1 . 1 7 7 GLU CB C 13 30.231 0.300 . 1 . . . . A 694 GLU CB . 36165 1 80 . 1 . 1 7 7 GLU CG C 13 36.212 0.300 . 1 . . . . A 694 GLU CG . 36165 1 81 . 1 . 1 7 7 GLU N N 15 121.218 0.300 . 1 . . . . A 694 GLU N . 36165 1 82 . 1 . 1 8 8 SER H H 1 8.307 0.030 . 1 . . . . A 695 SER H . 36165 1 83 . 1 . 1 8 8 SER HA H 1 4.491 0.030 . 1 . . . . A 695 SER HA . 36165 1 84 . 1 . 1 8 8 SER HB2 H 1 3.872 0.030 . 2 . . . . A 695 SER HB2 . 36165 1 85 . 1 . 1 8 8 SER HB3 H 1 3.872 0.030 . 2 . . . . A 695 SER HB3 . 36165 1 86 . 1 . 1 8 8 SER C C 13 174.454 0.300 . 1 . . . . A 695 SER C . 36165 1 87 . 1 . 1 8 8 SER CA C 13 58.374 0.300 . 1 . . . . A 695 SER CA . 36165 1 88 . 1 . 1 8 8 SER CB C 13 63.803 0.300 . 1 . . . . A 695 SER CB . 36165 1 89 . 1 . 1 8 8 SER N N 15 116.737 0.300 . 1 . . . . A 695 SER N . 36165 1 90 . 1 . 1 9 9 VAL H H 1 8.139 0.030 . 1 . . . . A 696 VAL H . 36165 1 91 . 1 . 1 9 9 VAL HA H 1 4.186 0.030 . 1 . . . . A 696 VAL HA . 36165 1 92 . 1 . 1 9 9 VAL HB H 1 2.128 0.030 . 1 . . . . A 696 VAL HB . 36165 1 93 . 1 . 1 9 9 VAL HG11 H 1 0.949 0.030 . 2 . . . . A 696 VAL HG11 . 36165 1 94 . 1 . 1 9 9 VAL HG12 H 1 0.949 0.030 . 2 . . . . A 696 VAL HG12 . 36165 1 95 . 1 . 1 9 9 VAL HG13 H 1 0.949 0.030 . 2 . . . . A 696 VAL HG13 . 36165 1 96 . 1 . 1 9 9 VAL HG21 H 1 0.954 0.030 . 2 . . . . A 696 VAL HG21 . 36165 1 97 . 1 . 1 9 9 VAL HG22 H 1 0.954 0.030 . 2 . . . . A 696 VAL HG22 . 36165 1 98 . 1 . 1 9 9 VAL HG23 H 1 0.954 0.030 . 2 . . . . A 696 VAL HG23 . 36165 1 99 . 1 . 1 9 9 VAL C C 13 175.596 0.300 . 1 . . . . A 696 VAL C . 36165 1 100 . 1 . 1 9 9 VAL CA C 13 62.044 0.300 . 1 . . . . A 696 VAL CA . 36165 1 101 . 1 . 1 9 9 VAL CB C 13 32.740 0.300 . 1 . . . . A 696 VAL CB . 36165 1 102 . 1 . 1 9 9 VAL CG1 C 13 20.486 0.300 . 2 . . . . A 696 VAL CG1 . 36165 1 103 . 1 . 1 9 9 VAL CG2 C 13 21.301 0.300 . 2 . . . . A 696 VAL CG2 . 36165 1 104 . 1 . 1 9 9 VAL N N 15 121.488 0.300 . 1 . . . . A 696 VAL N . 36165 1 105 . 1 . 1 10 10 ALA H H 1 8.342 0.030 . 1 . . . . A 697 ALA H . 36165 1 106 . 1 . 1 10 10 ALA HA H 1 4.390 0.030 . 1 . . . . A 697 ALA HA . 36165 1 107 . 1 . 1 10 10 ALA HB1 H 1 1.425 0.030 . 1 . . . . A 697 ALA HB1 . 36165 1 108 . 1 . 1 10 10 ALA HB2 H 1 1.425 0.030 . 1 . . . . A 697 ALA HB2 . 36165 1 109 . 1 . 1 10 10 ALA HB3 H 1 1.425 0.030 . 1 . . . . A 697 ALA HB3 . 36165 1 110 . 1 . 1 10 10 ALA C C 13 177.672 0.300 . 1 . . . . A 697 ALA C . 36165 1 111 . 1 . 1 10 10 ALA CA C 13 52.503 0.300 . 1 . . . . A 697 ALA CA . 36165 1 112 . 1 . 1 10 10 ALA CB C 13 19.754 0.300 . 1 . . . . A 697 ALA CB . 36165 1 113 . 1 . 1 10 10 ALA N N 15 127.333 0.300 . 1 . . . . A 697 ALA N . 36165 1 114 . 1 . 1 11 11 GLY H H 1 8.225 0.030 . 1 . . . . A 698 GLY H . 36165 1 115 . 1 . 1 11 11 GLY HA2 H 1 4.070 0.030 . 2 . . . . A 698 GLY HA2 . 36165 1 116 . 1 . 1 11 11 GLY HA3 H 1 4.175 0.030 . 2 . . . . A 698 GLY HA3 . 36165 1 117 . 1 . 1 11 11 GLY CA C 13 44.804 0.300 . 1 . . . . A 698 GLY CA . 36165 1 118 . 1 . 1 11 11 GLY N N 15 107.898 0.300 . 1 . . . . A 698 GLY N . 36165 1 119 . 1 . 1 12 12 PRO HA H 1 4.460 0.030 . 1 . . . . A 699 PRO HA . 36165 1 120 . 1 . 1 12 12 PRO HB2 H 1 2.280 0.030 . 2 . . . . A 699 PRO HB2 . 36165 1 121 . 1 . 1 12 12 PRO HB3 H 1 1.816 0.030 . 2 . . . . A 699 PRO HB3 . 36165 1 122 . 1 . 1 12 12 PRO HG2 H 1 2.019 0.030 . 2 . . . . A 699 PRO HG2 . 36165 1 123 . 1 . 1 12 12 PRO HG3 H 1 2.019 0.030 . 2 . . . . A 699 PRO HG3 . 36165 1 124 . 1 . 1 12 12 PRO HD2 H 1 3.670 0.030 . 2 . . . . A 699 PRO HD2 . 36165 1 125 . 1 . 1 12 12 PRO HD3 H 1 3.670 0.030 . 2 . . . . A 699 PRO HD3 . 36165 1 126 . 1 . 1 12 12 PRO C C 13 176.452 0.300 . 1 . . . . A 699 PRO C . 36165 1 127 . 1 . 1 12 12 PRO CA C 13 63.114 0.300 . 1 . . . . A 699 PRO CA . 36165 1 128 . 1 . 1 12 12 PRO CB C 13 32.293 0.300 . 1 . . . . A 699 PRO CB . 36165 1 129 . 1 . 1 12 12 PRO CG C 13 27.326 0.300 . 1 . . . . A 699 PRO CG . 36165 1 130 . 1 . 1 12 12 PRO CD C 13 49.753 0.300 . 1 . . . . A 699 PRO CD . 36165 1 131 . 1 . 1 13 13 ASN H H 1 8.658 0.030 . 1 . . . . A 700 ASN H . 36165 1 132 . 1 . 1 13 13 ASN HA H 1 4.777 0.030 . 1 . . . . A 700 ASN HA . 36165 1 133 . 1 . 1 13 13 ASN HB2 H 1 2.906 0.030 . 2 . . . . A 700 ASN HB2 . 36165 1 134 . 1 . 1 13 13 ASN HB3 H 1 3.030 0.030 . 2 . . . . A 700 ASN HB3 . 36165 1 135 . 1 . 1 13 13 ASN HD21 H 1 7.818 0.030 . 2 . . . . A 700 ASN HD21 . 36165 1 136 . 1 . 1 13 13 ASN HD22 H 1 6.973 0.030 . 2 . . . . A 700 ASN HD22 . 36165 1 137 . 1 . 1 13 13 ASN CA C 13 52.952 0.300 . 1 . . . . A 700 ASN CA . 36165 1 138 . 1 . 1 13 13 ASN CB C 13 38.063 0.300 . 1 . . . . A 700 ASN CB . 36165 1 139 . 1 . 1 13 13 ASN N N 15 119.410 0.300 . 1 . . . . A 700 ASN N . 36165 1 140 . 1 . 1 13 13 ASN ND2 N 15 112.183 0.300 . 1 . . . . A 700 ASN ND2 . 36165 1 141 . 1 . 1 14 14 ILE H H 1 8.291 0.030 . 1 . . . . A 701 ILE H . 36165 1 142 . 1 . 1 14 14 ILE HA H 1 3.800 0.030 . 1 . . . . A 701 ILE HA . 36165 1 143 . 1 . 1 14 14 ILE HB H 1 2.023 0.030 . 1 . . . . A 701 ILE HB . 36165 1 144 . 1 . 1 14 14 ILE HG12 H 1 1.346 0.030 . 2 . . . . A 701 ILE HG12 . 36165 1 145 . 1 . 1 14 14 ILE HG13 H 1 1.620 0.030 . 2 . . . . A 701 ILE HG13 . 36165 1 146 . 1 . 1 14 14 ILE HG21 H 1 0.969 0.030 . 1 . . . . A 701 ILE HG21 . 36165 1 147 . 1 . 1 14 14 ILE HG22 H 1 0.969 0.030 . 1 . . . . A 701 ILE HG22 . 36165 1 148 . 1 . 1 14 14 ILE HG23 H 1 0.969 0.030 . 1 . . . . A 701 ILE HG23 . 36165 1 149 . 1 . 1 14 14 ILE HD11 H 1 0.910 0.030 . 1 . . . . A 701 ILE HD11 . 36165 1 150 . 1 . 1 14 14 ILE HD12 H 1 0.910 0.030 . 1 . . . . A 701 ILE HD12 . 36165 1 151 . 1 . 1 14 14 ILE HD13 H 1 0.910 0.030 . 1 . . . . A 701 ILE HD13 . 36165 1 152 . 1 . 1 14 14 ILE C C 13 176.993 0.300 . 1 . . . . A 701 ILE C . 36165 1 153 . 1 . 1 14 14 ILE CA C 13 63.735 0.300 . 1 . . . . A 701 ILE CA . 36165 1 154 . 1 . 1 14 14 ILE CB C 13 37.203 0.300 . 1 . . . . A 701 ILE CB . 36165 1 155 . 1 . 1 14 14 ILE CG1 C 13 28.675 0.300 . 1 . . . . A 701 ILE CG1 . 36165 1 156 . 1 . 1 14 14 ILE CG2 C 13 17.768 0.300 . 1 . . . . A 701 ILE CG2 . 36165 1 157 . 1 . 1 14 14 ILE CD1 C 13 12.463 0.300 . 1 . . . . A 701 ILE CD1 . 36165 1 158 . 1 . 1 14 14 ILE N N 15 122.733 0.300 . 1 . . . . A 701 ILE N . 36165 1 159 . 1 . 1 15 15 ALA H H 1 8.555 0.030 . 1 . . . . A 702 ALA H . 36165 1 160 . 1 . 1 15 15 ALA HA H 1 3.972 0.030 . 1 . . . . A 702 ALA HA . 36165 1 161 . 1 . 1 15 15 ALA HB1 H 1 1.502 0.030 . 1 . . . . A 702 ALA HB1 . 36165 1 162 . 1 . 1 15 15 ALA HB2 H 1 1.502 0.030 . 1 . . . . A 702 ALA HB2 . 36165 1 163 . 1 . 1 15 15 ALA HB3 H 1 1.502 0.030 . 1 . . . . A 702 ALA HB3 . 36165 1 164 . 1 . 1 15 15 ALA C C 13 179.463 0.300 . 1 . . . . A 702 ALA C . 36165 1 165 . 1 . 1 15 15 ALA CA C 13 55.828 0.300 . 1 . . . . A 702 ALA CA . 36165 1 166 . 1 . 1 15 15 ALA CB C 13 18.167 0.300 . 1 . . . . A 702 ALA CB . 36165 1 167 . 1 . 1 15 15 ALA N N 15 122.634 0.300 . 1 . . . . A 702 ALA N . 36165 1 168 . 1 . 1 16 16 ALA H H 1 7.778 0.030 . 1 . . . . A 703 ALA H . 36165 1 169 . 1 . 1 16 16 ALA HA H 1 4.078 0.030 . 1 . . . . A 703 ALA HA . 36165 1 170 . 1 . 1 16 16 ALA HB1 H 1 1.495 0.030 . 1 . . . . A 703 ALA HB1 . 36165 1 171 . 1 . 1 16 16 ALA HB2 H 1 1.495 0.030 . 1 . . . . A 703 ALA HB2 . 36165 1 172 . 1 . 1 16 16 ALA HB3 H 1 1.495 0.030 . 1 . . . . A 703 ALA HB3 . 36165 1 173 . 1 . 1 16 16 ALA C C 13 179.719 0.300 . 1 . . . . A 703 ALA C . 36165 1 174 . 1 . 1 16 16 ALA CA C 13 55.037 0.300 . 1 . . . . A 703 ALA CA . 36165 1 175 . 1 . 1 16 16 ALA CB C 13 18.389 0.300 . 1 . . . . A 703 ALA CB . 36165 1 176 . 1 . 1 16 16 ALA N N 15 119.051 0.300 . 1 . . . . A 703 ALA N . 36165 1 177 . 1 . 1 17 17 ILE H H 1 7.939 0.030 . 1 . . . . A 704 ILE H . 36165 1 178 . 1 . 1 17 17 ILE HA H 1 3.752 0.030 . 1 . . . . A 704 ILE HA . 36165 1 179 . 1 . 1 17 17 ILE HB H 1 2.000 0.030 . 1 . . . . A 704 ILE HB . 36165 1 180 . 1 . 1 17 17 ILE HG12 H 1 1.071 0.030 . 2 . . . . A 704 ILE HG12 . 36165 1 181 . 1 . 1 17 17 ILE HG13 H 1 1.071 0.030 . 2 . . . . A 704 ILE HG13 . 36165 1 182 . 1 . 1 17 17 ILE HG21 H 1 0.879 0.030 . 1 . . . . A 704 ILE HG21 . 36165 1 183 . 1 . 1 17 17 ILE HG22 H 1 0.879 0.030 . 1 . . . . A 704 ILE HG22 . 36165 1 184 . 1 . 1 17 17 ILE HG23 H 1 0.879 0.030 . 1 . . . . A 704 ILE HG23 . 36165 1 185 . 1 . 1 17 17 ILE HD11 H 1 0.883 0.030 . 1 . . . . A 704 ILE HD11 . 36165 1 186 . 1 . 1 17 17 ILE HD12 H 1 0.883 0.030 . 1 . . . . A 704 ILE HD12 . 36165 1 187 . 1 . 1 17 17 ILE HD13 H 1 0.883 0.030 . 1 . . . . A 704 ILE HD13 . 36165 1 188 . 1 . 1 17 17 ILE C C 13 179.050 0.300 . 1 . . . . A 704 ILE C . 36165 1 189 . 1 . 1 17 17 ILE CA C 13 64.996 0.300 . 1 . . . . A 704 ILE CA . 36165 1 190 . 1 . 1 17 17 ILE CB C 13 37.800 0.300 . 1 . . . . A 704 ILE CB . 36165 1 191 . 1 . 1 17 17 ILE CG1 C 13 29.200 0.300 . 1 . . . . A 704 ILE CG1 . 36165 1 192 . 1 . 1 17 17 ILE CG2 C 13 17.332 0.300 . 1 . . . . A 704 ILE CG2 . 36165 1 193 . 1 . 1 17 17 ILE CD1 C 13 13.577 0.300 . 1 . . . . A 704 ILE CD1 . 36165 1 194 . 1 . 1 17 17 ILE N N 15 117.785 0.300 . 1 . . . . A 704 ILE N . 36165 1 195 . 1 . 1 18 18 VAL H H 1 8.855 0.030 . 1 . . . . A 705 VAL H . 36165 1 196 . 1 . 1 18 18 VAL HA H 1 3.610 0.030 . 1 . . . . A 705 VAL HA . 36165 1 197 . 1 . 1 18 18 VAL HB H 1 2.195 0.030 . 1 . . . . A 705 VAL HB . 36165 1 198 . 1 . 1 18 18 VAL HG11 H 1 0.890 0.030 . 2 . . . . A 705 VAL HG11 . 36165 1 199 . 1 . 1 18 18 VAL HG12 H 1 0.890 0.030 . 2 . . . . A 705 VAL HG12 . 36165 1 200 . 1 . 1 18 18 VAL HG13 H 1 0.890 0.030 . 2 . . . . A 705 VAL HG13 . 36165 1 201 . 1 . 1 18 18 VAL HG21 H 1 1.048 0.030 . 2 . . . . A 705 VAL HG21 . 36165 1 202 . 1 . 1 18 18 VAL HG22 H 1 1.048 0.030 . 2 . . . . A 705 VAL HG22 . 36165 1 203 . 1 . 1 18 18 VAL HG23 H 1 1.048 0.030 . 2 . . . . A 705 VAL HG23 . 36165 1 204 . 1 . 1 18 18 VAL C C 13 177.574 0.300 . 1 . . . . A 705 VAL C . 36165 1 205 . 1 . 1 18 18 VAL CA C 13 67.302 0.300 . 1 . . . . A 705 VAL CA . 36165 1 206 . 1 . 1 18 18 VAL CB C 13 31.450 0.300 . 1 . . . . A 705 VAL CB . 36165 1 207 . 1 . 1 18 18 VAL CG1 C 13 21.655 0.300 . 2 . . . . A 705 VAL CG1 . 36165 1 208 . 1 . 1 18 18 VAL CG2 C 13 23.377 0.300 . 2 . . . . A 705 VAL CG2 . 36165 1 209 . 1 . 1 18 18 VAL N N 15 121.536 0.300 . 1 . . . . A 705 VAL N . 36165 1 210 . 1 . 1 19 19 GLY H H 1 8.799 0.030 . 1 . . . . A 706 GLY H . 36165 1 211 . 1 . 1 19 19 GLY HA2 H 1 3.742 0.030 . 2 . . . . A 706 GLY HA2 . 36165 1 212 . 1 . 1 19 19 GLY HA3 H 1 3.742 0.030 . 2 . . . . A 706 GLY HA3 . 36165 1 213 . 1 . 1 19 19 GLY C C 13 175.153 0.300 . 1 . . . . A 706 GLY C . 36165 1 214 . 1 . 1 19 19 GLY CA C 13 47.541 0.300 . 1 . . . . A 706 GLY CA . 36165 1 215 . 1 . 1 19 19 GLY N N 15 106.823 0.300 . 1 . . . . A 706 GLY N . 36165 1 216 . 1 . 1 20 20 GLY H H 1 8.699 0.030 . 1 . . . . A 707 GLY H . 36165 1 217 . 1 . 1 20 20 GLY HA2 H 1 3.804 0.030 . 2 . . . . A 707 GLY HA2 . 36165 1 218 . 1 . 1 20 20 GLY HA3 H 1 3.649 0.030 . 2 . . . . A 707 GLY HA3 . 36165 1 219 . 1 . 1 20 20 GLY C C 13 174.631 0.300 . 1 . . . . A 707 GLY C . 36165 1 220 . 1 . 1 20 20 GLY CA C 13 47.650 0.300 . 1 . . . . A 707 GLY CA . 36165 1 221 . 1 . 1 20 20 GLY N N 15 107.850 0.300 . 1 . . . . A 707 GLY N . 36165 1 222 . 1 . 1 21 21 THR H H 1 8.018 0.030 . 1 . . . . A 708 THR H . 36165 1 223 . 1 . 1 21 21 THR HA H 1 4.300 0.030 . 1 . . . . A 708 THR HA . 36165 1 224 . 1 . 1 21 21 THR HB H 1 3.860 0.030 . 1 . . . . A 708 THR HB . 36165 1 225 . 1 . 1 21 21 THR HG21 H 1 1.137 0.030 . 1 . . . . A 708 THR HG21 . 36165 1 226 . 1 . 1 21 21 THR HG22 H 1 1.137 0.030 . 1 . . . . A 708 THR HG22 . 36165 1 227 . 1 . 1 21 21 THR HG23 H 1 1.137 0.030 . 1 . . . . A 708 THR HG23 . 36165 1 228 . 1 . 1 21 21 THR C C 13 176.265 0.300 . 1 . . . . A 708 THR C . 36165 1 229 . 1 . 1 21 21 THR CA C 13 68.600 0.300 . 1 . . . . A 708 THR CA . 36165 1 230 . 1 . 1 21 21 THR CB C 13 66.489 0.300 . 1 . . . . A 708 THR CB . 36165 1 231 . 1 . 1 21 21 THR CG2 C 13 21.478 0.300 . 1 . . . . A 708 THR CG2 . 36165 1 232 . 1 . 1 21 21 THR N N 15 118.550 0.300 . 1 . . . . A 708 THR N . 36165 1 233 . 1 . 1 22 22 VAL H H 1 8.339 0.030 . 1 . . . . A 709 VAL H . 36165 1 234 . 1 . 1 22 22 VAL HA H 1 3.540 0.030 . 1 . . . . A 709 VAL HA . 36165 1 235 . 1 . 1 22 22 VAL HB H 1 2.204 0.030 . 1 . . . . A 709 VAL HB . 36165 1 236 . 1 . 1 22 22 VAL HG11 H 1 0.879 0.030 . 2 . . . . A 709 VAL HG11 . 36165 1 237 . 1 . 1 22 22 VAL HG12 H 1 0.879 0.030 . 2 . . . . A 709 VAL HG12 . 36165 1 238 . 1 . 1 22 22 VAL HG13 H 1 0.879 0.030 . 2 . . . . A 709 VAL HG13 . 36165 1 239 . 1 . 1 22 22 VAL HG21 H 1 1.045 0.030 . 2 . . . . A 709 VAL HG21 . 36165 1 240 . 1 . 1 22 22 VAL HG22 H 1 1.045 0.030 . 2 . . . . A 709 VAL HG22 . 36165 1 241 . 1 . 1 22 22 VAL HG23 H 1 1.045 0.030 . 2 . . . . A 709 VAL HG23 . 36165 1 242 . 1 . 1 22 22 VAL C C 13 177.033 0.300 . 1 . . . . A 709 VAL C . 36165 1 243 . 1 . 1 22 22 VAL CA C 13 67.509 0.300 . 1 . . . . A 709 VAL CA . 36165 1 244 . 1 . 1 22 22 VAL CB C 13 31.150 0.300 . 1 . . . . A 709 VAL CB . 36165 1 245 . 1 . 1 22 22 VAL CG1 C 13 21.402 0.300 . 2 . . . . A 709 VAL CG1 . 36165 1 246 . 1 . 1 22 22 VAL CG2 C 13 23.428 0.300 . 2 . . . . A 709 VAL CG2 . 36165 1 247 . 1 . 1 22 22 VAL N N 15 119.867 0.300 . 1 . . . . A 709 VAL N . 36165 1 248 . 1 . 1 23 23 ALA H H 1 8.371 0.030 . 1 . . . . A 710 ALA H . 36165 1 249 . 1 . 1 23 23 ALA HA H 1 3.878 0.030 . 1 . . . . A 710 ALA HA . 36165 1 250 . 1 . 1 23 23 ALA HB1 H 1 1.457 0.030 . 1 . . . . A 710 ALA HB1 . 36165 1 251 . 1 . 1 23 23 ALA HB2 H 1 1.457 0.030 . 1 . . . . A 710 ALA HB2 . 36165 1 252 . 1 . 1 23 23 ALA HB3 H 1 1.457 0.030 . 1 . . . . A 710 ALA HB3 . 36165 1 253 . 1 . 1 23 23 ALA C C 13 178.824 0.300 . 1 . . . . A 710 ALA C . 36165 1 254 . 1 . 1 23 23 ALA CA C 13 55.763 0.300 . 1 . . . . A 710 ALA CA . 36165 1 255 . 1 . 1 23 23 ALA CB C 13 18.153 0.300 . 1 . . . . A 710 ALA CB . 36165 1 256 . 1 . 1 23 23 ALA N N 15 119.721 0.300 . 1 . . . . A 710 ALA N . 36165 1 257 . 1 . 1 24 24 GLY H H 1 8.467 0.030 . 1 . . . . A 711 GLY H . 36165 1 258 . 1 . 1 24 24 GLY HA2 H 1 3.670 0.030 . 2 . . . . A 711 GLY HA2 . 36165 1 259 . 1 . 1 24 24 GLY HA3 H 1 3.670 0.030 . 2 . . . . A 711 GLY HA3 . 36165 1 260 . 1 . 1 24 24 GLY C C 13 174.367 0.300 . 1 . . . . A 711 GLY C . 36165 1 261 . 1 . 1 24 24 GLY CA C 13 48.082 0.300 . 1 . . . . A 711 GLY CA . 36165 1 262 . 1 . 1 24 24 GLY N N 15 103.921 0.300 . 1 . . . . A 711 GLY N . 36165 1 263 . 1 . 1 25 25 ILE H H 1 8.305 0.030 . 1 . . . . A 712 ILE H . 36165 1 264 . 1 . 1 25 25 ILE HA H 1 3.640 0.030 . 1 . . . . A 712 ILE HA . 36165 1 265 . 1 . 1 25 25 ILE HB H 1 2.015 0.030 . 1 . . . . A 712 ILE HB . 36165 1 266 . 1 . 1 25 25 ILE HG12 H 1 1.065 0.030 . 2 . . . . A 712 ILE HG12 . 36165 1 267 . 1 . 1 25 25 ILE HG13 H 1 1.990 0.030 . 2 . . . . A 712 ILE HG13 . 36165 1 268 . 1 . 1 25 25 ILE HG21 H 1 0.950 0.030 . 1 . . . . A 712 ILE HG21 . 36165 1 269 . 1 . 1 25 25 ILE HG22 H 1 0.950 0.030 . 1 . . . . A 712 ILE HG22 . 36165 1 270 . 1 . 1 25 25 ILE HG23 H 1 0.950 0.030 . 1 . . . . A 712 ILE HG23 . 36165 1 271 . 1 . 1 25 25 ILE HD11 H 1 0.788 0.030 . 1 . . . . A 712 ILE HD11 . 36165 1 272 . 1 . 1 25 25 ILE HD12 H 1 0.788 0.030 . 1 . . . . A 712 ILE HD12 . 36165 1 273 . 1 . 1 25 25 ILE HD13 H 1 0.788 0.030 . 1 . . . . A 712 ILE HD13 . 36165 1 274 . 1 . 1 25 25 ILE C C 13 177.367 0.300 . 1 . . . . A 712 ILE C . 36165 1 275 . 1 . 1 25 25 ILE CA C 13 65.870 0.300 . 1 . . . . A 712 ILE CA . 36165 1 276 . 1 . 1 25 25 ILE CB C 13 37.390 0.300 . 1 . . . . A 712 ILE CB . 36165 1 277 . 1 . 1 25 25 ILE CG1 C 13 29.613 0.300 . 1 . . . . A 712 ILE CG1 . 36165 1 278 . 1 . 1 25 25 ILE CG2 C 13 17.472 0.300 . 1 . . . . A 712 ILE CG2 . 36165 1 279 . 1 . 1 25 25 ILE CD1 C 13 12.863 0.300 . 1 . . . . A 712 ILE CD1 . 36165 1 280 . 1 . 1 25 25 ILE N N 15 120.888 0.300 . 1 . . . . A 712 ILE N . 36165 1 281 . 1 . 1 26 26 VAL H H 1 8.246 0.030 . 1 . . . . A 713 VAL H . 36165 1 282 . 1 . 1 26 26 VAL HA H 1 3.630 0.030 . 1 . . . . A 713 VAL HA . 36165 1 283 . 1 . 1 26 26 VAL HB H 1 2.230 0.030 . 1 . . . . A 713 VAL HB . 36165 1 284 . 1 . 1 26 26 VAL HG11 H 1 1.055 0.030 . 2 . . . . A 713 VAL HG11 . 36165 1 285 . 1 . 1 26 26 VAL HG12 H 1 1.055 0.030 . 2 . . . . A 713 VAL HG12 . 36165 1 286 . 1 . 1 26 26 VAL HG13 H 1 1.055 0.030 . 2 . . . . A 713 VAL HG13 . 36165 1 287 . 1 . 1 26 26 VAL HG21 H 1 0.890 0.030 . 2 . . . . A 713 VAL HG21 . 36165 1 288 . 1 . 1 26 26 VAL HG22 H 1 0.890 0.030 . 2 . . . . A 713 VAL HG22 . 36165 1 289 . 1 . 1 26 26 VAL HG23 H 1 0.890 0.030 . 2 . . . . A 713 VAL HG23 . 36165 1 290 . 1 . 1 26 26 VAL C C 13 177.220 0.300 . 1 . . . . A 713 VAL C . 36165 1 291 . 1 . 1 26 26 VAL CA C 13 67.116 0.300 . 1 . . . . A 713 VAL CA . 36165 1 292 . 1 . 1 26 26 VAL CB C 13 31.311 0.300 . 1 . . . . A 713 VAL CB . 36165 1 293 . 1 . 1 26 26 VAL CG1 C 13 23.307 0.300 . 2 . . . . A 713 VAL CG1 . 36165 1 294 . 1 . 1 26 26 VAL CG2 C 13 21.730 0.300 . 2 . . . . A 713 VAL CG2 . 36165 1 295 . 1 . 1 26 26 VAL N N 15 118.858 0.300 . 1 . . . . A 713 VAL N . 36165 1 296 . 1 . 1 27 27 LEU H H 1 8.397 0.030 . 1 . . . . A 714 LEU H . 36165 1 297 . 1 . 1 27 27 LEU HA H 1 3.990 0.030 . 1 . . . . A 714 LEU HA . 36165 1 298 . 1 . 1 27 27 LEU HB2 H 1 1.830 0.030 . 2 . . . . A 714 LEU HB2 . 36165 1 299 . 1 . 1 27 27 LEU HB3 H 1 1.830 0.030 . 2 . . . . A 714 LEU HB3 . 36165 1 300 . 1 . 1 27 27 LEU HG H 1 1.445 0.030 . 1 . . . . A 714 LEU HG . 36165 1 301 . 1 . 1 27 27 LEU HD11 H 1 0.896 0.030 . 2 . . . . A 714 LEU HD11 . 36165 1 302 . 1 . 1 27 27 LEU HD12 H 1 0.896 0.030 . 2 . . . . A 714 LEU HD12 . 36165 1 303 . 1 . 1 27 27 LEU HD13 H 1 0.896 0.030 . 2 . . . . A 714 LEU HD13 . 36165 1 304 . 1 . 1 27 27 LEU HD21 H 1 0.870 0.030 . 2 . . . . A 714 LEU HD21 . 36165 1 305 . 1 . 1 27 27 LEU HD22 H 1 0.870 0.030 . 2 . . . . A 714 LEU HD22 . 36165 1 306 . 1 . 1 27 27 LEU HD23 H 1 0.870 0.030 . 2 . . . . A 714 LEU HD23 . 36165 1 307 . 1 . 1 27 27 LEU C C 13 178.312 0.300 . 1 . . . . A 714 LEU C . 36165 1 308 . 1 . 1 27 27 LEU CA C 13 58.538 0.300 . 1 . . . . A 714 LEU CA . 36165 1 309 . 1 . 1 27 27 LEU CB C 13 41.704 0.300 . 1 . . . . A 714 LEU CB . 36165 1 310 . 1 . 1 27 27 LEU CG C 13 26.821 0.300 . 1 . . . . A 714 LEU CG . 36165 1 311 . 1 . 1 27 27 LEU CD1 C 13 24.481 0.300 . 2 . . . . A 714 LEU CD1 . 36165 1 312 . 1 . 1 27 27 LEU CD2 C 13 27.000 0.300 . 2 . . . . A 714 LEU CD2 . 36165 1 313 . 1 . 1 27 27 LEU N N 15 118.474 0.300 . 1 . . . . A 714 LEU N . 36165 1 314 . 1 . 1 28 28 ILE H H 1 8.328 0.030 . 1 . . . . A 715 ILE H . 36165 1 315 . 1 . 1 28 28 ILE HA H 1 3.630 0.030 . 1 . . . . A 715 ILE HA . 36165 1 316 . 1 . 1 28 28 ILE HB H 1 2.035 0.030 . 1 . . . . A 715 ILE HB . 36165 1 317 . 1 . 1 28 28 ILE HG12 H 1 1.120 0.030 . 2 . . . . A 715 ILE HG12 . 36165 1 318 . 1 . 1 28 28 ILE HG13 H 1 1.830 0.030 . 2 . . . . A 715 ILE HG13 . 36165 1 319 . 1 . 1 28 28 ILE HG21 H 1 0.878 0.030 . 1 . . . . A 715 ILE HG21 . 36165 1 320 . 1 . 1 28 28 ILE HG22 H 1 0.878 0.030 . 1 . . . . A 715 ILE HG22 . 36165 1 321 . 1 . 1 28 28 ILE HG23 H 1 0.878 0.030 . 1 . . . . A 715 ILE HG23 . 36165 1 322 . 1 . 1 28 28 ILE HD11 H 1 0.790 0.030 . 1 . . . . A 715 ILE HD11 . 36165 1 323 . 1 . 1 28 28 ILE HD12 H 1 0.790 0.030 . 1 . . . . A 715 ILE HD12 . 36165 1 324 . 1 . 1 28 28 ILE HD13 H 1 0.790 0.030 . 1 . . . . A 715 ILE HD13 . 36165 1 325 . 1 . 1 28 28 ILE C C 13 177.485 0.300 . 1 . . . . A 715 ILE C . 36165 1 326 . 1 . 1 28 28 ILE CA C 13 65.137 0.300 . 1 . . . . A 715 ILE CA . 36165 1 327 . 1 . 1 28 28 ILE CB C 13 37.777 0.300 . 1 . . . . A 715 ILE CB . 36165 1 328 . 1 . 1 28 28 ILE CG1 C 13 29.400 0.300 . 1 . . . . A 715 ILE CG1 . 36165 1 329 . 1 . 1 28 28 ILE CG2 C 13 17.302 0.300 . 1 . . . . A 715 ILE CG2 . 36165 1 330 . 1 . 1 28 28 ILE CD1 C 13 12.533 0.300 . 1 . . . . A 715 ILE CD1 . 36165 1 331 . 1 . 1 28 28 ILE N N 15 117.690 0.300 . 1 . . . . A 715 ILE N . 36165 1 332 . 1 . 1 29 29 GLY H H 1 8.591 0.030 . 1 . . . . A 716 GLY H . 36165 1 333 . 1 . 1 29 29 GLY HA2 H 1 3.663 0.030 . 2 . . . . A 716 GLY HA2 . 36165 1 334 . 1 . 1 29 29 GLY HA3 H 1 3.663 0.030 . 2 . . . . A 716 GLY HA3 . 36165 1 335 . 1 . 1 29 29 GLY C C 13 174.464 0.300 . 1 . . . . A 716 GLY C . 36165 1 336 . 1 . 1 29 29 GLY CA C 13 48.526 0.300 . 1 . . . . A 716 GLY CA . 36165 1 337 . 1 . 1 29 29 GLY N N 15 107.471 0.300 . 1 . . . . A 716 GLY N . 36165 1 338 . 1 . 1 30 30 ILE H H 1 8.517 0.030 . 1 . . . . A 717 ILE H . 36165 1 339 . 1 . 1 30 30 ILE HA H 1 3.664 0.030 . 1 . . . . A 717 ILE HA . 36165 1 340 . 1 . 1 30 30 ILE HB H 1 2.030 0.030 . 1 . . . . A 717 ILE HB . 36165 1 341 . 1 . 1 30 30 ILE HG12 H 1 1.070 0.030 . 2 . . . . A 717 ILE HG12 . 36165 1 342 . 1 . 1 30 30 ILE HG13 H 1 1.250 0.030 . 2 . . . . A 717 ILE HG13 . 36165 1 343 . 1 . 1 30 30 ILE HG21 H 1 0.885 0.030 . 1 . . . . A 717 ILE HG21 . 36165 1 344 . 1 . 1 30 30 ILE HG22 H 1 0.885 0.030 . 1 . . . . A 717 ILE HG22 . 36165 1 345 . 1 . 1 30 30 ILE HG23 H 1 0.885 0.030 . 1 . . . . A 717 ILE HG23 . 36165 1 346 . 1 . 1 30 30 ILE HD11 H 1 0.813 0.030 . 1 . . . . A 717 ILE HD11 . 36165 1 347 . 1 . 1 30 30 ILE HD12 H 1 0.813 0.030 . 1 . . . . A 717 ILE HD12 . 36165 1 348 . 1 . 1 30 30 ILE HD13 H 1 0.813 0.030 . 1 . . . . A 717 ILE HD13 . 36165 1 349 . 1 . 1 30 30 ILE C C 13 177.259 0.300 . 1 . . . . A 717 ILE C . 36165 1 350 . 1 . 1 30 30 ILE CA C 13 65.520 0.300 . 1 . . . . A 717 ILE CA . 36165 1 351 . 1 . 1 30 30 ILE CB C 13 37.425 0.300 . 1 . . . . A 717 ILE CB . 36165 1 352 . 1 . 1 30 30 ILE CG1 C 13 29.249 0.300 . 1 . . . . A 717 ILE CG1 . 36165 1 353 . 1 . 1 30 30 ILE CG2 C 13 17.364 0.300 . 1 . . . . A 717 ILE CG2 . 36165 1 354 . 1 . 1 30 30 ILE CD1 C 13 13.747 0.300 . 1 . . . . A 717 ILE CD1 . 36165 1 355 . 1 . 1 30 30 ILE N N 15 119.917 0.300 . 1 . . . . A 717 ILE N . 36165 1 356 . 1 . 1 31 31 LEU H H 1 8.270 0.030 . 1 . . . . A 718 LEU H . 36165 1 357 . 1 . 1 31 31 LEU HA H 1 3.980 0.030 . 1 . . . . A 718 LEU HA . 36165 1 358 . 1 . 1 31 31 LEU HB2 H 1 1.840 0.030 . 2 . . . . A 718 LEU HB2 . 36165 1 359 . 1 . 1 31 31 LEU HB3 H 1 1.877 0.030 . 2 . . . . A 718 LEU HB3 . 36165 1 360 . 1 . 1 31 31 LEU HD11 H 1 0.872 0.030 . 2 . . . . A 718 LEU HD11 . 36165 1 361 . 1 . 1 31 31 LEU HD12 H 1 0.872 0.030 . 2 . . . . A 718 LEU HD12 . 36165 1 362 . 1 . 1 31 31 LEU HD13 H 1 0.872 0.030 . 2 . . . . A 718 LEU HD13 . 36165 1 363 . 1 . 1 31 31 LEU HD21 H 1 0.870 0.030 . 2 . . . . A 718 LEU HD21 . 36165 1 364 . 1 . 1 31 31 LEU HD22 H 1 0.870 0.030 . 2 . . . . A 718 LEU HD22 . 36165 1 365 . 1 . 1 31 31 LEU HD23 H 1 0.870 0.030 . 2 . . . . A 718 LEU HD23 . 36165 1 366 . 1 . 1 31 31 LEU C C 13 178.430 0.300 . 1 . . . . A 718 LEU C . 36165 1 367 . 1 . 1 31 31 LEU CA C 13 58.581 0.300 . 1 . . . . A 718 LEU CA . 36165 1 368 . 1 . 1 31 31 LEU CB C 13 41.557 0.300 . 1 . . . . A 718 LEU CB . 36165 1 369 . 1 . 1 31 31 LEU CD1 C 13 24.470 0.300 . 2 . . . . A 718 LEU CD1 . 36165 1 370 . 1 . 1 31 31 LEU CD2 C 13 24.470 0.300 . 2 . . . . A 718 LEU CD2 . 36165 1 371 . 1 . 1 31 31 LEU N N 15 119.452 0.300 . 1 . . . . A 718 LEU N . 36165 1 372 . 1 . 1 32 32 LEU H H 1 8.595 0.030 . 1 . . . . A 719 LEU H . 36165 1 373 . 1 . 1 32 32 LEU HA H 1 4.062 0.030 . 1 . . . . A 719 LEU HA . 36165 1 374 . 1 . 1 32 32 LEU HB2 H 1 2.055 0.030 . 2 . . . . A 719 LEU HB2 . 36165 1 375 . 1 . 1 32 32 LEU HB3 H 1 1.760 0.030 . 2 . . . . A 719 LEU HB3 . 36165 1 376 . 1 . 1 32 32 LEU HG H 1 1.453 0.030 . 1 . . . . A 719 LEU HG . 36165 1 377 . 1 . 1 32 32 LEU HD11 H 1 0.896 0.030 . 2 . . . . A 719 LEU HD11 . 36165 1 378 . 1 . 1 32 32 LEU HD12 H 1 0.896 0.030 . 2 . . . . A 719 LEU HD12 . 36165 1 379 . 1 . 1 32 32 LEU HD13 H 1 0.896 0.030 . 2 . . . . A 719 LEU HD13 . 36165 1 380 . 1 . 1 32 32 LEU HD21 H 1 0.859 0.030 . 2 . . . . A 719 LEU HD21 . 36165 1 381 . 1 . 1 32 32 LEU HD22 H 1 0.859 0.030 . 2 . . . . A 719 LEU HD22 . 36165 1 382 . 1 . 1 32 32 LEU HD23 H 1 0.859 0.030 . 2 . . . . A 719 LEU HD23 . 36165 1 383 . 1 . 1 32 32 LEU C C 13 178.223 0.300 . 1 . . . . A 719 LEU C . 36165 1 384 . 1 . 1 32 32 LEU CA C 13 58.566 0.300 . 1 . . . . A 719 LEU CA . 36165 1 385 . 1 . 1 32 32 LEU CB C 13 41.700 0.300 . 1 . . . . A 719 LEU CB . 36165 1 386 . 1 . 1 32 32 LEU CG C 13 26.096 0.300 . 1 . . . . A 719 LEU CG . 36165 1 387 . 1 . 1 32 32 LEU CD1 C 13 24.037 0.300 . 2 . . . . A 719 LEU CD1 . 36165 1 388 . 1 . 1 32 32 LEU CD2 C 13 23.185 0.300 . 2 . . . . A 719 LEU CD2 . 36165 1 389 . 1 . 1 32 32 LEU N N 15 117.414 0.300 . 1 . . . . A 719 LEU N . 36165 1 390 . 1 . 1 33 33 LEU H H 1 8.079 0.030 . 1 . . . . A 720 LEU H . 36165 1 391 . 1 . 1 33 33 LEU HA H 1 4.270 0.030 . 1 . . . . A 720 LEU HA . 36165 1 392 . 1 . 1 33 33 LEU HB2 H 1 1.924 0.030 . 2 . . . . A 720 LEU HB2 . 36165 1 393 . 1 . 1 33 33 LEU HB3 H 1 1.924 0.030 . 2 . . . . A 720 LEU HB3 . 36165 1 394 . 1 . 1 33 33 LEU HG H 1 1.260 0.030 . 1 . . . . A 720 LEU HG . 36165 1 395 . 1 . 1 33 33 LEU HD11 H 1 0.962 0.030 . 2 . . . . A 720 LEU HD11 . 36165 1 396 . 1 . 1 33 33 LEU HD12 H 1 0.962 0.030 . 2 . . . . A 720 LEU HD12 . 36165 1 397 . 1 . 1 33 33 LEU HD13 H 1 0.962 0.030 . 2 . . . . A 720 LEU HD13 . 36165 1 398 . 1 . 1 33 33 LEU HD21 H 1 1.001 0.030 . 2 . . . . A 720 LEU HD21 . 36165 1 399 . 1 . 1 33 33 LEU HD22 H 1 1.001 0.030 . 2 . . . . A 720 LEU HD22 . 36165 1 400 . 1 . 1 33 33 LEU HD23 H 1 1.001 0.030 . 2 . . . . A 720 LEU HD23 . 36165 1 401 . 1 . 1 33 33 LEU C C 13 178.578 0.300 . 1 . . . . A 720 LEU C . 36165 1 402 . 1 . 1 33 33 LEU CA C 13 58.596 0.300 . 1 . . . . A 720 LEU CA . 36165 1 403 . 1 . 1 33 33 LEU CB C 13 42.073 0.300 . 1 . . . . A 720 LEU CB . 36165 1 404 . 1 . 1 33 33 LEU CG C 13 26.888 0.300 . 1 . . . . A 720 LEU CG . 36165 1 405 . 1 . 1 33 33 LEU CD1 C 13 24.957 0.300 . 2 . . . . A 720 LEU CD1 . 36165 1 406 . 1 . 1 33 33 LEU CD2 C 13 25.174 0.300 . 2 . . . . A 720 LEU CD2 . 36165 1 407 . 1 . 1 33 33 LEU N N 15 119.158 0.300 . 1 . . . . A 720 LEU N . 36165 1 408 . 1 . 1 34 34 VAL H H 1 8.433 0.030 . 1 . . . . A 721 VAL H . 36165 1 409 . 1 . 1 34 34 VAL HA H 1 3.654 0.030 . 1 . . . . A 721 VAL HA . 36165 1 410 . 1 . 1 34 34 VAL HB H 1 2.397 0.030 . 1 . . . . A 721 VAL HB . 36165 1 411 . 1 . 1 34 34 VAL HG11 H 1 0.890 0.030 . 2 . . . . A 721 VAL HG11 . 36165 1 412 . 1 . 1 34 34 VAL HG12 H 1 0.890 0.030 . 2 . . . . A 721 VAL HG12 . 36165 1 413 . 1 . 1 34 34 VAL HG13 H 1 0.890 0.030 . 2 . . . . A 721 VAL HG13 . 36165 1 414 . 1 . 1 34 34 VAL HG21 H 1 1.110 0.030 . 2 . . . . A 721 VAL HG21 . 36165 1 415 . 1 . 1 34 34 VAL HG22 H 1 1.110 0.030 . 2 . . . . A 721 VAL HG22 . 36165 1 416 . 1 . 1 34 34 VAL HG23 H 1 1.110 0.030 . 2 . . . . A 721 VAL HG23 . 36165 1 417 . 1 . 1 34 34 VAL C C 13 177.249 0.300 . 1 . . . . A 721 VAL C . 36165 1 418 . 1 . 1 34 34 VAL CA C 13 67.088 0.300 . 1 . . . . A 721 VAL CA . 36165 1 419 . 1 . 1 34 34 VAL CB C 13 31.300 0.300 . 1 . . . . A 721 VAL CB . 36165 1 420 . 1 . 1 34 34 VAL CG1 C 13 21.609 0.300 . 2 . . . . A 721 VAL CG1 . 36165 1 421 . 1 . 1 34 34 VAL CG2 C 13 23.185 0.300 . 2 . . . . A 721 VAL CG2 . 36165 1 422 . 1 . 1 34 34 VAL N N 15 118.052 0.300 . 1 . . . . A 721 VAL N . 36165 1 423 . 1 . 1 35 35 ILE H H 1 8.442 0.030 . 1 . . . . A 722 ILE H . 36165 1 424 . 1 . 1 35 35 ILE HA H 1 3.625 0.030 . 1 . . . . A 722 ILE HA . 36165 1 425 . 1 . 1 35 35 ILE HB H 1 1.975 0.030 . 1 . . . . A 722 ILE HB . 36165 1 426 . 1 . 1 35 35 ILE HG12 H 1 1.632 0.030 . 2 . . . . A 722 ILE HG12 . 36165 1 427 . 1 . 1 35 35 ILE HG13 H 1 1.249 0.030 . 2 . . . . A 722 ILE HG13 . 36165 1 428 . 1 . 1 35 35 ILE HG21 H 1 0.950 0.030 . 1 . . . . A 722 ILE HG21 . 36165 1 429 . 1 . 1 35 35 ILE HG22 H 1 0.950 0.030 . 1 . . . . A 722 ILE HG22 . 36165 1 430 . 1 . 1 35 35 ILE HG23 H 1 0.950 0.030 . 1 . . . . A 722 ILE HG23 . 36165 1 431 . 1 . 1 35 35 ILE HD11 H 1 0.900 0.030 . 1 . . . . A 722 ILE HD11 . 36165 1 432 . 1 . 1 35 35 ILE HD12 H 1 0.900 0.030 . 1 . . . . A 722 ILE HD12 . 36165 1 433 . 1 . 1 35 35 ILE HD13 H 1 0.900 0.030 . 1 . . . . A 722 ILE HD13 . 36165 1 434 . 1 . 1 35 35 ILE C C 13 176.973 0.300 . 1 . . . . A 722 ILE C . 36165 1 435 . 1 . 1 35 35 ILE CA C 13 66.011 0.300 . 1 . . . . A 722 ILE CA . 36165 1 436 . 1 . 1 35 35 ILE CB C 13 37.622 0.300 . 1 . . . . A 722 ILE CB . 36165 1 437 . 1 . 1 35 35 ILE CG1 C 13 28.493 0.300 . 1 . . . . A 722 ILE CG1 . 36165 1 438 . 1 . 1 35 35 ILE CG2 C 13 17.760 0.300 . 1 . . . . A 722 ILE CG2 . 36165 1 439 . 1 . 1 35 35 ILE CD1 C 13 12.346 0.300 . 1 . . . . A 722 ILE CD1 . 36165 1 440 . 1 . 1 35 35 ILE N N 15 119.200 0.300 . 1 . . . . A 722 ILE N . 36165 1 441 . 1 . 1 36 36 TRP H H 1 8.770 0.030 . 1 . . . . A 723 TRP H . 36165 1 442 . 1 . 1 36 36 TRP HA H 1 4.350 0.030 . 1 . . . . A 723 TRP HA . 36165 1 443 . 1 . 1 36 36 TRP HB2 H 1 3.630 0.030 . 2 . . . . A 723 TRP HB2 . 36165 1 444 . 1 . 1 36 36 TRP HB3 H 1 3.393 0.030 . 2 . . . . A 723 TRP HB3 . 36165 1 445 . 1 . 1 36 36 TRP HD1 H 1 7.053 0.030 . 1 . . . . A 723 TRP HD1 . 36165 1 446 . 1 . 1 36 36 TRP HE1 H 1 10.394 0.030 . 1 . . . . A 723 TRP HE1 . 36165 1 447 . 1 . 1 36 36 TRP HE3 H 1 7.486 0.030 . 1 . . . . A 723 TRP HE3 . 36165 1 448 . 1 . 1 36 36 TRP HZ2 H 1 7.441 0.030 . 1 . . . . A 723 TRP HZ2 . 36165 1 449 . 1 . 1 36 36 TRP HZ3 H 1 6.891 0.030 . 1 . . . . A 723 TRP HZ3 . 36165 1 450 . 1 . 1 36 36 TRP HH2 H 1 7.080 0.030 . 1 . . . . A 723 TRP HH2 . 36165 1 451 . 1 . 1 36 36 TRP C C 13 177.584 0.300 . 1 . . . . A 723 TRP C . 36165 1 452 . 1 . 1 36 36 TRP CA C 13 60.748 0.300 . 1 . . . . A 723 TRP CA . 36165 1 453 . 1 . 1 36 36 TRP CB C 13 29.402 0.300 . 1 . . . . A 723 TRP CB . 36165 1 454 . 1 . 1 36 36 TRP CD1 C 13 125.620 0.300 . 1 . . . . A 723 TRP CD1 . 36165 1 455 . 1 . 1 36 36 TRP CE3 C 13 120.536 0.300 . 1 . . . . A 723 TRP CE3 . 36165 1 456 . 1 . 1 36 36 TRP CZ2 C 13 114.933 0.300 . 1 . . . . A 723 TRP CZ2 . 36165 1 457 . 1 . 1 36 36 TRP CZ3 C 13 120.500 0.300 . 1 . . . . A 723 TRP CZ3 . 36165 1 458 . 1 . 1 36 36 TRP CH2 C 13 123.850 0.300 . 1 . . . . A 723 TRP CH2 . 36165 1 459 . 1 . 1 36 36 TRP N N 15 120.522 0.300 . 1 . . . . A 723 TRP N . 36165 1 460 . 1 . 1 36 36 TRP NE1 N 15 129.189 0.300 . 1 . . . . A 723 TRP NE1 . 36165 1 461 . 1 . 1 37 37 LYS H H 1 8.421 0.030 . 1 . . . . A 724 LYS H . 36165 1 462 . 1 . 1 37 37 LYS HA H 1 4.020 0.030 . 1 . . . . A 724 LYS HA . 36165 1 463 . 1 . 1 37 37 LYS HB2 H 1 1.879 0.030 . 2 . . . . A 724 LYS HB2 . 36165 1 464 . 1 . 1 37 37 LYS HB3 H 1 2.061 0.030 . 2 . . . . A 724 LYS HB3 . 36165 1 465 . 1 . 1 37 37 LYS HG2 H 1 1.580 0.030 . 2 . . . . A 724 LYS HG2 . 36165 1 466 . 1 . 1 37 37 LYS HG3 H 1 1.580 0.030 . 2 . . . . A 724 LYS HG3 . 36165 1 467 . 1 . 1 37 37 LYS HD2 H 1 1.620 0.030 . 2 . . . . A 724 LYS HD2 . 36165 1 468 . 1 . 1 37 37 LYS HD3 H 1 1.620 0.030 . 2 . . . . A 724 LYS HD3 . 36165 1 469 . 1 . 1 37 37 LYS HE2 H 1 2.844 0.030 . 2 . . . . A 724 LYS HE2 . 36165 1 470 . 1 . 1 37 37 LYS HE3 H 1 2.932 0.030 . 2 . . . . A 724 LYS HE3 . 36165 1 471 . 1 . 1 37 37 LYS C C 13 178.991 0.300 . 1 . . . . A 724 LYS C . 36165 1 472 . 1 . 1 37 37 LYS CA C 13 58.567 0.300 . 1 . . . . A 724 LYS CA . 36165 1 473 . 1 . 1 37 37 LYS CB C 13 34.764 0.300 . 1 . . . . A 724 LYS CB . 36165 1 474 . 1 . 1 37 37 LYS CG C 13 24.793 0.300 . 1 . . . . A 724 LYS CG . 36165 1 475 . 1 . 1 37 37 LYS CD C 13 30.034 0.300 . 1 . . . . A 724 LYS CD . 36165 1 476 . 1 . 1 37 37 LYS CE C 13 42.013 0.300 . 1 . . . . A 724 LYS CE . 36165 1 477 . 1 . 1 37 37 LYS N N 15 115.161 0.300 . 1 . . . . A 724 LYS N . 36165 1 478 . 1 . 1 38 38 ALA H H 1 8.501 0.030 . 1 . . . . A 725 ALA H . 36165 1 479 . 1 . 1 38 38 ALA HA H 1 4.076 0.030 . 1 . . . . A 725 ALA HA . 36165 1 480 . 1 . 1 38 38 ALA HB1 H 1 1.526 0.030 . 1 . . . . A 725 ALA HB1 . 36165 1 481 . 1 . 1 38 38 ALA HB2 H 1 1.526 0.030 . 1 . . . . A 725 ALA HB2 . 36165 1 482 . 1 . 1 38 38 ALA HB3 H 1 1.526 0.030 . 1 . . . . A 725 ALA HB3 . 36165 1 483 . 1 . 1 38 38 ALA C C 13 178.991 0.300 . 1 . . . . A 725 ALA C . 36165 1 484 . 1 . 1 38 38 ALA CA C 13 55.525 0.300 . 1 . . . . A 725 ALA CA . 36165 1 485 . 1 . 1 38 38 ALA CB C 13 18.213 0.300 . 1 . . . . A 725 ALA CB . 36165 1 486 . 1 . 1 38 38 ALA N N 15 121.380 0.300 . 1 . . . . A 725 ALA N . 36165 1 487 . 1 . 1 39 39 LEU H H 1 8.442 0.030 . 1 . . . . A 726 LEU H . 36165 1 488 . 1 . 1 39 39 LEU HA H 1 4.081 0.030 . 1 . . . . A 726 LEU HA . 36165 1 489 . 1 . 1 39 39 LEU HB2 H 1 1.433 0.030 . 2 . . . . A 726 LEU HB2 . 36165 1 490 . 1 . 1 39 39 LEU HB3 H 1 1.990 0.030 . 2 . . . . A 726 LEU HB3 . 36165 1 491 . 1 . 1 39 39 LEU HG H 1 1.278 0.030 . 1 . . . . A 726 LEU HG . 36165 1 492 . 1 . 1 39 39 LEU HD11 H 1 0.886 0.030 . 2 . . . . A 726 LEU HD11 . 36165 1 493 . 1 . 1 39 39 LEU HD12 H 1 0.886 0.030 . 2 . . . . A 726 LEU HD12 . 36165 1 494 . 1 . 1 39 39 LEU HD13 H 1 0.886 0.030 . 2 . . . . A 726 LEU HD13 . 36165 1 495 . 1 . 1 39 39 LEU HD21 H 1 0.840 0.030 . 2 . . . . A 726 LEU HD21 . 36165 1 496 . 1 . 1 39 39 LEU HD22 H 1 0.840 0.030 . 2 . . . . A 726 LEU HD22 . 36165 1 497 . 1 . 1 39 39 LEU HD23 H 1 0.840 0.030 . 2 . . . . A 726 LEU HD23 . 36165 1 498 . 1 . 1 39 39 LEU C C 13 179.621 0.300 . 1 . . . . A 726 LEU C . 36165 1 499 . 1 . 1 39 39 LEU CA C 13 57.986 0.300 . 1 . . . . A 726 LEU CA . 36165 1 500 . 1 . 1 39 39 LEU CB C 13 41.613 0.300 . 1 . . . . A 726 LEU CB . 36165 1 501 . 1 . 1 39 39 LEU CG C 13 26.203 0.300 . 1 . . . . A 726 LEU CG . 36165 1 502 . 1 . 1 39 39 LEU CD1 C 13 25.923 0.300 . 2 . . . . A 726 LEU CD1 . 36165 1 503 . 1 . 1 39 39 LEU CD2 C 13 23.197 0.300 . 2 . . . . A 726 LEU CD2 . 36165 1 504 . 1 . 1 39 39 LEU N N 15 117.300 0.300 . 1 . . . . A 726 LEU N . 36165 1 505 . 1 . 1 40 40 ILE H H 1 8.041 0.030 . 1 . . . . A 727 ILE H . 36165 1 506 . 1 . 1 40 40 ILE HA H 1 3.717 0.030 . 1 . . . . A 727 ILE HA . 36165 1 507 . 1 . 1 40 40 ILE HB H 1 1.757 0.030 . 1 . . . . A 727 ILE HB . 36165 1 508 . 1 . 1 40 40 ILE HG12 H 1 1.112 0.030 . 2 . . . . A 727 ILE HG12 . 36165 1 509 . 1 . 1 40 40 ILE HG13 H 1 0.982 0.030 . 2 . . . . A 727 ILE HG13 . 36165 1 510 . 1 . 1 40 40 ILE HG21 H 1 0.620 0.030 . 1 . . . . A 727 ILE HG21 . 36165 1 511 . 1 . 1 40 40 ILE HG22 H 1 0.620 0.030 . 1 . . . . A 727 ILE HG22 . 36165 1 512 . 1 . 1 40 40 ILE HG23 H 1 0.620 0.030 . 1 . . . . A 727 ILE HG23 . 36165 1 513 . 1 . 1 40 40 ILE HD11 H 1 0.491 0.030 . 1 . . . . A 727 ILE HD11 . 36165 1 514 . 1 . 1 40 40 ILE HD12 H 1 0.491 0.030 . 1 . . . . A 727 ILE HD12 . 36165 1 515 . 1 . 1 40 40 ILE HD13 H 1 0.491 0.030 . 1 . . . . A 727 ILE HD13 . 36165 1 516 . 1 . 1 40 40 ILE C C 13 178.056 0.300 . 1 . . . . A 727 ILE C . 36165 1 517 . 1 . 1 40 40 ILE CA C 13 63.787 0.300 . 1 . . . . A 727 ILE CA . 36165 1 518 . 1 . 1 40 40 ILE CB C 13 37.093 0.300 . 1 . . . . A 727 ILE CB . 36165 1 519 . 1 . 1 40 40 ILE CG1 C 13 27.530 0.300 . 1 . . . . A 727 ILE CG1 . 36165 1 520 . 1 . 1 40 40 ILE CG2 C 13 17.280 0.300 . 1 . . . . A 727 ILE CG2 . 36165 1 521 . 1 . 1 40 40 ILE CD1 C 13 12.530 0.300 . 1 . . . . A 727 ILE CD1 . 36165 1 522 . 1 . 1 40 40 ILE N N 15 117.789 0.300 . 1 . . . . A 727 ILE N . 36165 1 523 . 1 . 1 41 41 HIS H H 1 7.842 0.030 . 1 . . . . A 728 HIS H . 36165 1 524 . 1 . 1 41 41 HIS HA H 1 4.559 0.030 . 1 . . . . A 728 HIS HA . 36165 1 525 . 1 . 1 41 41 HIS HB2 H 1 3.185 0.030 . 2 . . . . A 728 HIS HB2 . 36165 1 526 . 1 . 1 41 41 HIS HB3 H 1 3.425 0.030 . 2 . . . . A 728 HIS HB3 . 36165 1 527 . 1 . 1 41 41 HIS HD2 H 1 7.225 0.030 . 1 . . . . A 728 HIS HD2 . 36165 1 528 . 1 . 1 41 41 HIS HE1 H 1 8.468 0.030 . 1 . . . . A 728 HIS HE1 . 36165 1 529 . 1 . 1 41 41 HIS C C 13 176.531 0.300 . 1 . . . . A 728 HIS C . 36165 1 530 . 1 . 1 41 41 HIS CA C 13 58.255 0.300 . 1 . . . . A 728 HIS CA . 36165 1 531 . 1 . 1 41 41 HIS CB C 13 29.014 0.300 . 1 . . . . A 728 HIS CB . 36165 1 532 . 1 . 1 41 41 HIS CD2 C 13 120.440 0.300 . 1 . . . . A 728 HIS CD2 . 36165 1 533 . 1 . 1 41 41 HIS CE1 C 13 137.901 0.300 . 1 . . . . A 728 HIS CE1 . 36165 1 534 . 1 . 1 41 41 HIS N N 15 118.150 0.300 . 1 . . . . A 728 HIS N . 36165 1 535 . 1 . 1 42 42 LEU H H 1 8.124 0.030 . 1 . . . . A 729 LEU H . 36165 1 536 . 1 . 1 42 42 LEU HA H 1 4.127 0.030 . 1 . . . . A 729 LEU HA . 36165 1 537 . 1 . 1 42 42 LEU HB2 H 1 1.664 0.030 . 2 . . . . A 729 LEU HB2 . 36165 1 538 . 1 . 1 42 42 LEU HB3 H 1 1.782 0.030 . 2 . . . . A 729 LEU HB3 . 36165 1 539 . 1 . 1 42 42 LEU HG H 1 1.899 0.030 . 1 . . . . A 729 LEU HG . 36165 1 540 . 1 . 1 42 42 LEU HD11 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD11 . 36165 1 541 . 1 . 1 42 42 LEU HD12 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD12 . 36165 1 542 . 1 . 1 42 42 LEU HD13 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD13 . 36165 1 543 . 1 . 1 42 42 LEU HD21 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD21 . 36165 1 544 . 1 . 1 42 42 LEU HD22 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD22 . 36165 1 545 . 1 . 1 42 42 LEU HD23 H 1 0.905 0.030 . 2 . . . . A 729 LEU HD23 . 36165 1 546 . 1 . 1 42 42 LEU C C 13 178.194 0.300 . 1 . . . . A 729 LEU C . 36165 1 547 . 1 . 1 42 42 LEU CA C 13 57.709 0.300 . 1 . . . . A 729 LEU CA . 36165 1 548 . 1 . 1 42 42 LEU CB C 13 42.032 0.300 . 1 . . . . A 729 LEU CB . 36165 1 549 . 1 . 1 42 42 LEU CG C 13 27.414 0.300 . 1 . . . . A 729 LEU CG . 36165 1 550 . 1 . 1 42 42 LEU CD1 C 13 24.950 0.300 . 2 . . . . A 729 LEU CD1 . 36165 1 551 . 1 . 1 42 42 LEU CD2 C 13 24.950 0.300 . 2 . . . . A 729 LEU CD2 . 36165 1 552 . 1 . 1 42 42 LEU N N 15 119.676 0.300 . 1 . . . . A 729 LEU N . 36165 1 553 . 1 . 1 43 43 SER H H 1 8.076 0.030 . 1 . . . . A 730 SER H . 36165 1 554 . 1 . 1 43 43 SER HA H 1 4.191 0.030 . 1 . . . . A 730 SER HA . 36165 1 555 . 1 . 1 43 43 SER HB2 H 1 3.974 0.030 . 2 . . . . A 730 SER HB2 . 36165 1 556 . 1 . 1 43 43 SER HB3 H 1 3.974 0.030 . 2 . . . . A 730 SER HB3 . 36165 1 557 . 1 . 1 43 43 SER CA C 13 60.900 0.300 . 1 . . . . A 730 SER CA . 36165 1 558 . 1 . 1 43 43 SER CB C 13 63.500 0.300 . 1 . . . . A 730 SER CB . 36165 1 559 . 1 . 1 43 43 SER N N 15 113.162 0.300 . 1 . . . . A 730 SER N . 36165 1 560 . 1 . 1 44 44 ASP H H 1 7.924 0.030 . 1 . . . . A 731 ASP H . 36165 1 561 . 1 . 1 44 44 ASP HA H 1 4.589 0.030 . 1 . . . . A 731 ASP HA . 36165 1 562 . 1 . 1 44 44 ASP HB2 H 1 2.779 0.030 . 2 . . . . A 731 ASP HB2 . 36165 1 563 . 1 . 1 44 44 ASP HB3 H 1 2.779 0.030 . 2 . . . . A 731 ASP HB3 . 36165 1 564 . 1 . 1 44 44 ASP CA C 13 55.750 0.300 . 1 . . . . A 731 ASP CA . 36165 1 565 . 1 . 1 44 44 ASP CB C 13 40.998 0.300 . 1 . . . . A 731 ASP CB . 36165 1 566 . 1 . 1 44 44 ASP N N 15 121.054 0.300 . 1 . . . . A 731 ASP N . 36165 1 567 . 1 . 1 45 45 LEU H H 1 7.909 0.030 . 1 . . . . A 732 LEU H . 36165 1 568 . 1 . 1 45 45 LEU HA H 1 4.211 0.030 . 1 . . . . A 732 LEU HA . 36165 1 569 . 1 . 1 45 45 LEU HB2 H 1 1.830 0.030 . 2 . . . . A 732 LEU HB2 . 36165 1 570 . 1 . 1 45 45 LEU HB3 H 1 1.630 0.030 . 2 . . . . A 732 LEU HB3 . 36165 1 571 . 1 . 1 45 45 LEU HG H 1 1.737 0.030 . 1 . . . . A 732 LEU HG . 36165 1 572 . 1 . 1 45 45 LEU HD11 H 1 0.924 0.030 . 2 . . . . A 732 LEU HD11 . 36165 1 573 . 1 . 1 45 45 LEU HD12 H 1 0.924 0.030 . 2 . . . . A 732 LEU HD12 . 36165 1 574 . 1 . 1 45 45 LEU HD13 H 1 0.924 0.030 . 2 . . . . A 732 LEU HD13 . 36165 1 575 . 1 . 1 45 45 LEU HD21 H 1 0.870 0.030 . 2 . . . . A 732 LEU HD21 . 36165 1 576 . 1 . 1 45 45 LEU HD22 H 1 0.870 0.030 . 2 . . . . A 732 LEU HD22 . 36165 1 577 . 1 . 1 45 45 LEU HD23 H 1 0.870 0.030 . 2 . . . . A 732 LEU HD23 . 36165 1 578 . 1 . 1 45 45 LEU C C 13 177.987 0.300 . 1 . . . . A 732 LEU C . 36165 1 579 . 1 . 1 45 45 LEU CA C 13 56.900 0.300 . 1 . . . . A 732 LEU CA . 36165 1 580 . 1 . 1 45 45 LEU CB C 13 41.940 0.300 . 1 . . . . A 732 LEU CB . 36165 1 581 . 1 . 1 45 45 LEU CG C 13 27.465 0.300 . 1 . . . . A 732 LEU CG . 36165 1 582 . 1 . 1 45 45 LEU CD1 C 13 25.428 0.300 . 2 . . . . A 732 LEU CD1 . 36165 1 583 . 1 . 1 45 45 LEU CD2 C 13 23.391 0.300 . 2 . . . . A 732 LEU CD2 . 36165 1 584 . 1 . 1 45 45 LEU N N 15 120.258 0.300 . 1 . . . . A 732 LEU N . 36165 1 585 . 1 . 1 46 46 ARG H H 1 7.967 0.030 . 1 . . . . A 733 ARG H . 36165 1 586 . 1 . 1 46 46 ARG HA H 1 4.169 0.030 . 1 . . . . A 733 ARG HA . 36165 1 587 . 1 . 1 46 46 ARG HB2 H 1 1.911 0.030 . 2 . . . . A 733 ARG HB2 . 36165 1 588 . 1 . 1 46 46 ARG HB3 H 1 1.911 0.030 . 2 . . . . A 733 ARG HB3 . 36165 1 589 . 1 . 1 46 46 ARG HG2 H 1 1.747 0.030 . 2 . . . . A 733 ARG HG2 . 36165 1 590 . 1 . 1 46 46 ARG HG3 H 1 1.697 0.030 . 2 . . . . A 733 ARG HG3 . 36165 1 591 . 1 . 1 46 46 ARG HD2 H 1 3.166 0.030 . 2 . . . . A 733 ARG HD2 . 36165 1 592 . 1 . 1 46 46 ARG HD3 H 1 3.240 0.030 . 2 . . . . A 733 ARG HD3 . 36165 1 593 . 1 . 1 46 46 ARG HE H 1 7.455 0.030 . 1 . . . . A 733 ARG HE . 36165 1 594 . 1 . 1 46 46 ARG C C 13 176.973 0.300 . 1 . . . . A 733 ARG C . 36165 1 595 . 1 . 1 46 46 ARG CA C 13 57.858 0.300 . 1 . . . . A 733 ARG CA . 36165 1 596 . 1 . 1 46 46 ARG CB C 13 30.415 0.300 . 1 . . . . A 733 ARG CB . 36165 1 597 . 1 . 1 46 46 ARG CG C 13 27.519 0.300 . 1 . . . . A 733 ARG CG . 36165 1 598 . 1 . 1 46 46 ARG CD C 13 43.584 0.300 . 1 . . . . A 733 ARG CD . 36165 1 599 . 1 . 1 46 46 ARG N N 15 118.444 0.300 . 1 . . . . A 733 ARG N . 36165 1 600 . 1 . 1 46 46 ARG NE N 15 84.715 0.300 . 1 . . . . A 733 ARG NE . 36165 1 601 . 1 . 1 47 47 GLU H H 1 8.065 0.030 . 1 . . . . A 734 GLU H . 36165 1 602 . 1 . 1 47 47 GLU HA H 1 4.144 0.030 . 1 . . . . A 734 GLU HA . 36165 1 603 . 1 . 1 47 47 GLU HB2 H 1 2.012 0.030 . 2 . . . . A 734 GLU HB2 . 36165 1 604 . 1 . 1 47 47 GLU HB3 H 1 1.914 0.030 . 2 . . . . A 734 GLU HB3 . 36165 1 605 . 1 . 1 47 47 GLU HG2 H 1 2.239 0.030 . 2 . . . . A 734 GLU HG2 . 36165 1 606 . 1 . 1 47 47 GLU HG3 H 1 2.187 0.030 . 2 . . . . A 734 GLU HG3 . 36165 1 607 . 1 . 1 47 47 GLU C C 13 176.501 0.300 . 1 . . . . A 734 GLU C . 36165 1 608 . 1 . 1 47 47 GLU CA C 13 57.925 0.300 . 1 . . . . A 734 GLU CA . 36165 1 609 . 1 . 1 47 47 GLU CB C 13 29.752 0.300 . 1 . . . . A 734 GLU CB . 36165 1 610 . 1 . 1 47 47 GLU CG C 13 35.973 0.300 . 1 . . . . A 734 GLU CG . 36165 1 611 . 1 . 1 47 47 GLU N N 15 118.307 0.300 . 1 . . . . A 734 GLU N . 36165 1 612 . 1 . 1 48 48 TYR H H 1 7.895 0.030 . 1 . . . . A 735 TYR H . 36165 1 613 . 1 . 1 48 48 TYR HA H 1 4.478 0.030 . 1 . . . . A 735 TYR HA . 36165 1 614 . 1 . 1 48 48 TYR HB2 H 1 3.004 0.030 . 2 . . . . A 735 TYR HB2 . 36165 1 615 . 1 . 1 48 48 TYR HB3 H 1 3.094 0.030 . 2 . . . . A 735 TYR HB3 . 36165 1 616 . 1 . 1 48 48 TYR HD1 H 1 7.118 0.030 . 3 . . . . A 735 TYR HD1 . 36165 1 617 . 1 . 1 48 48 TYR HD2 H 1 7.118 0.030 . 3 . . . . A 735 TYR HD2 . 36165 1 618 . 1 . 1 48 48 TYR HE1 H 1 6.796 0.030 . 3 . . . . A 735 TYR HE1 . 36165 1 619 . 1 . 1 48 48 TYR HE2 H 1 6.796 0.030 . 3 . . . . A 735 TYR HE2 . 36165 1 620 . 1 . 1 48 48 TYR C C 13 175.576 0.300 . 1 . . . . A 735 TYR C . 36165 1 621 . 1 . 1 48 48 TYR CA C 13 58.640 0.300 . 1 . . . . A 735 TYR CA . 36165 1 622 . 1 . 1 48 48 TYR CB C 13 38.614 0.300 . 1 . . . . A 735 TYR CB . 36165 1 623 . 1 . 1 48 48 TYR CD1 C 13 133.070 0.300 . 3 . . . . A 735 TYR CD1 . 36165 1 624 . 1 . 1 48 48 TYR CD2 C 13 133.070 0.300 . 3 . . . . A 735 TYR CD2 . 36165 1 625 . 1 . 1 48 48 TYR CE1 C 13 118.220 0.300 . 3 . . . . A 735 TYR CE1 . 36165 1 626 . 1 . 1 48 48 TYR CE2 C 13 118.220 0.300 . 3 . . . . A 735 TYR CE2 . 36165 1 627 . 1 . 1 48 48 TYR N N 15 119.758 0.300 . 1 . . . . A 735 TYR N . 36165 1 628 . 1 . 1 49 49 ARG H H 1 7.898 0.030 . 1 . . . . A 736 ARG H . 36165 1 629 . 1 . 1 49 49 ARG HA H 1 4.218 0.030 . 1 . . . . A 736 ARG HA . 36165 1 630 . 1 . 1 49 49 ARG HB2 H 1 1.790 0.030 . 2 . . . . A 736 ARG HB2 . 36165 1 631 . 1 . 1 49 49 ARG HB3 H 1 1.693 0.030 . 2 . . . . A 736 ARG HB3 . 36165 1 632 . 1 . 1 49 49 ARG HG2 H 1 1.501 0.030 . 2 . . . . A 736 ARG HG2 . 36165 1 633 . 1 . 1 49 49 ARG HG3 H 1 1.501 0.030 . 2 . . . . A 736 ARG HG3 . 36165 1 634 . 1 . 1 49 49 ARG HD2 H 1 3.143 0.030 . 2 . . . . A 736 ARG HD2 . 36165 1 635 . 1 . 1 49 49 ARG HD3 H 1 3.143 0.030 . 2 . . . . A 736 ARG HD3 . 36165 1 636 . 1 . 1 49 49 ARG HE H 1 7.295 0.030 . 1 . . . . A 736 ARG HE . 36165 1 637 . 1 . 1 49 49 ARG C C 13 175.379 0.300 . 1 . . . . A 736 ARG C . 36165 1 638 . 1 . 1 49 49 ARG CA C 13 55.925 0.300 . 1 . . . . A 736 ARG CA . 36165 1 639 . 1 . 1 49 49 ARG CB C 13 30.637 0.300 . 1 . . . . A 736 ARG CB . 36165 1 640 . 1 . 1 49 49 ARG CG C 13 27.106 0.300 . 1 . . . . A 736 ARG CG . 36165 1 641 . 1 . 1 49 49 ARG CD C 13 43.402 0.300 . 1 . . . . A 736 ARG CD . 36165 1 642 . 1 . 1 49 49 ARG N N 15 121.244 0.300 . 1 . . . . A 736 ARG N . 36165 1 643 . 1 . 1 49 49 ARG NE N 15 84.837 0.300 . 1 . . . . A 736 ARG NE . 36165 1 644 . 1 . 1 50 50 ARG H H 1 8.001 0.030 . 1 . . . . A 737 ARG H . 36165 1 645 . 1 . 1 50 50 ARG HA H 1 4.214 0.030 . 1 . . . . A 737 ARG HA . 36165 1 646 . 1 . 1 50 50 ARG HB2 H 1 1.687 0.030 . 2 . . . . A 737 ARG HB2 . 36165 1 647 . 1 . 1 50 50 ARG HB3 H 1 1.687 0.030 . 2 . . . . A 737 ARG HB3 . 36165 1 648 . 1 . 1 50 50 ARG HG2 H 1 1.465 0.030 . 2 . . . . A 737 ARG HG2 . 36165 1 649 . 1 . 1 50 50 ARG HG3 H 1 1.465 0.030 . 2 . . . . A 737 ARG HG3 . 36165 1 650 . 1 . 1 50 50 ARG HD2 H 1 3.140 0.030 . 2 . . . . A 737 ARG HD2 . 36165 1 651 . 1 . 1 50 50 ARG HD3 H 1 3.140 0.030 . 2 . . . . A 737 ARG HD3 . 36165 1 652 . 1 . 1 50 50 ARG HE H 1 7.295 0.030 . 1 . . . . A 737 ARG HE . 36165 1 653 . 1 . 1 50 50 ARG C C 13 175.812 0.300 . 1 . . . . A 737 ARG C . 36165 1 654 . 1 . 1 50 50 ARG CA C 13 56.307 0.300 . 1 . . . . A 737 ARG CA . 36165 1 655 . 1 . 1 50 50 ARG CB C 13 30.821 0.300 . 1 . . . . A 737 ARG CB . 36165 1 656 . 1 . 1 50 50 ARG CG C 13 27.345 0.300 . 1 . . . . A 737 ARG CG . 36165 1 657 . 1 . 1 50 50 ARG CD C 13 43.522 0.300 . 1 . . . . A 737 ARG CD . 36165 1 658 . 1 . 1 50 50 ARG N N 15 120.944 0.300 . 1 . . . . A 737 ARG N . 36165 1 659 . 1 . 1 50 50 ARG NE N 15 84.839 0.300 . 1 . . . . A 737 ARG NE . 36165 1 660 . 1 . 1 51 51 PHE H H 1 8.241 0.030 . 1 . . . . A 738 PHE H . 36165 1 661 . 1 . 1 51 51 PHE HA H 1 4.664 0.030 . 1 . . . . A 738 PHE HA . 36165 1 662 . 1 . 1 51 51 PHE HB2 H 1 2.978 0.030 . 2 . . . . A 738 PHE HB2 . 36165 1 663 . 1 . 1 51 51 PHE HB3 H 1 3.250 0.030 . 2 . . . . A 738 PHE HB3 . 36165 1 664 . 1 . 1 51 51 PHE HD1 H 1 7.298 0.030 . 3 . . . . A 738 PHE HD1 . 36165 1 665 . 1 . 1 51 51 PHE HD2 H 1 7.298 0.030 . 3 . . . . A 738 PHE HD2 . 36165 1 666 . 1 . 1 51 51 PHE HE1 H 1 7.330 0.030 . 3 . . . . A 738 PHE HE1 . 36165 1 667 . 1 . 1 51 51 PHE HE2 H 1 7.330 0.030 . 3 . . . . A 738 PHE HE2 . 36165 1 668 . 1 . 1 51 51 PHE HZ H 1 7.258 0.030 . 1 . . . . A 738 PHE HZ . 36165 1 669 . 1 . 1 51 51 PHE C C 13 174.562 0.300 . 1 . . . . A 738 PHE C . 36165 1 670 . 1 . 1 51 51 PHE CA C 13 57.606 0.300 . 1 . . . . A 738 PHE CA . 36165 1 671 . 1 . 1 51 51 PHE CB C 13 39.570 0.300 . 1 . . . . A 738 PHE CB . 36165 1 672 . 1 . 1 51 51 PHE CD1 C 13 131.800 0.300 . 3 . . . . A 738 PHE CD1 . 36165 1 673 . 1 . 1 51 51 PHE CD2 C 13 131.800 0.300 . 3 . . . . A 738 PHE CD2 . 36165 1 674 . 1 . 1 51 51 PHE CE1 C 13 131.661 0.300 . 3 . . . . A 738 PHE CE1 . 36165 1 675 . 1 . 1 51 51 PHE CE2 C 13 131.661 0.300 . 3 . . . . A 738 PHE CE2 . 36165 1 676 . 1 . 1 51 51 PHE CZ C 13 129.826 0.300 . 1 . . . . A 738 PHE CZ . 36165 1 677 . 1 . 1 51 51 PHE N N 15 120.889 0.300 . 1 . . . . A 738 PHE N . 36165 1 678 . 1 . 1 52 52 GLU H H 1 7.793 0.030 . 1 . . . . A 739 GLU H . 36165 1 679 . 1 . 1 52 52 GLU HA H 1 4.133 0.030 . 1 . . . . A 739 GLU HA . 36165 1 680 . 1 . 1 52 52 GLU HB2 H 1 1.890 0.030 . 2 . . . . A 739 GLU HB2 . 36165 1 681 . 1 . 1 52 52 GLU HB3 H 1 2.040 0.030 . 2 . . . . A 739 GLU HB3 . 36165 1 682 . 1 . 1 52 52 GLU HG2 H 1 2.188 0.030 . 2 . . . . A 739 GLU HG2 . 36165 1 683 . 1 . 1 52 52 GLU HG3 H 1 2.188 0.030 . 2 . . . . A 739 GLU HG3 . 36165 1 684 . 1 . 1 52 52 GLU CA C 13 57.946 0.300 . 1 . . . . A 739 GLU CA . 36165 1 685 . 1 . 1 52 52 GLU CB C 13 31.301 0.300 . 1 . . . . A 739 GLU CB . 36165 1 686 . 1 . 1 52 52 GLU CG C 13 36.420 0.300 . 1 . . . . A 739 GLU CG . 36165 1 687 . 1 . 1 52 52 GLU N N 15 126.254 0.300 . 1 . . . . A 739 GLU N . 36165 1 stop_ save_