################################### # 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 30324 _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 '2D 1H-1H TOCSY' . . . 30324 1 2 '2D 1H-1H NOESY' . . . 30324 1 3 '2D 1H-15N HSQC' . . . 30324 1 4 '2D DQF-COSY' . . . 30324 1 5 '2D 1H-13C HSQC' . . . 30324 1 6 '2D 1H-1H E COSY' . . . 30324 1 7 '2D 1H-13C HSQC' . . . 30324 1 8 '2D 1H-1H TOCSY' . . . 30324 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 GLY HA2 H 1 3.889 0.000 . . . . . . A 1 GLY HA2 . 30324 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.886 0.000 . . . . . . A 1 GLY HA3 . 30324 1 3 . 1 . 1 1 1 GLY H H 1 7.619 0.000 . . . . . . A 1 GLY H1 . 30324 1 4 . 1 . 1 1 1 GLY CA C 13 48.006 0.000 . . . . . . A 1 GLY CA . 30324 1 5 . 1 . 1 1 1 GLY N N 15 106.907 0.000 . . . . . . A 1 GLY N . 30324 1 6 . 1 . 1 2 2 GLY H H 1 8.051 0.001 . . . . . . A 2 GLY H . 30324 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.991 0.000 . . . . . . A 2 GLY HA2 . 30324 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.988 0.001 . . . . . . A 2 GLY HA3 . 30324 1 9 . 1 . 1 2 2 GLY CA C 13 47.589 0.000 . . . . . . A 2 GLY CA . 30324 1 10 . 1 . 1 2 2 GLY N N 15 108.131 0.000 . . . . . . A 2 GLY N . 30324 1 11 . 1 . 1 3 3 VAL H H 1 8.202 0.003 . . . . . . A 3 VAL H . 30324 1 12 . 1 . 1 3 3 VAL HA H 1 4.217 0.002 . . . . . . A 3 VAL HA . 30324 1 13 . 1 . 1 3 3 VAL HB H 1 2.045 0.007 . . . . . . A 3 VAL HB . 30324 1 14 . 1 . 1 3 3 VAL HG11 H 1 0.937 0.002 . . . . . . A 3 VAL HG11 . 30324 1 15 . 1 . 1 3 3 VAL HG12 H 1 0.937 0.002 . . . . . . A 3 VAL HG12 . 30324 1 16 . 1 . 1 3 3 VAL HG13 H 1 0.937 0.002 . . . . . . A 3 VAL HG13 . 30324 1 17 . 1 . 1 3 3 VAL HG21 H 1 0.886 0.007 . . . . . . A 3 VAL HG21 . 30324 1 18 . 1 . 1 3 3 VAL HG22 H 1 0.886 0.007 . . . . . . A 3 VAL HG22 . 30324 1 19 . 1 . 1 3 3 VAL HG23 H 1 0.886 0.007 . . . . . . A 3 VAL HG23 . 30324 1 20 . 1 . 1 3 3 VAL CA C 13 65.055 0.000 . . . . . . A 3 VAL CA . 30324 1 21 . 1 . 1 3 3 VAL CB C 13 35.949 0.000 . . . . . . A 3 VAL CB . 30324 1 22 . 1 . 1 3 3 VAL CG1 C 13 24.018 0.000 . . . . . . A 3 VAL CG1 . 30324 1 23 . 1 . 1 3 3 VAL CG2 C 13 23.769 0.000 . . . . . . A 3 VAL CG2 . 30324 1 24 . 1 . 1 3 3 VAL N N 15 118.191 0.000 . . . . . . A 3 VAL N . 30324 1 25 . 1 . 1 4 4 CYS H H 1 7.998 0.001 . . . . . . A 4 CYS H . 30324 1 26 . 1 . 1 4 4 CYS HA H 1 5.045 0.011 . . . . . . A 4 CYS HA . 30324 1 27 . 1 . 1 4 4 CYS HB2 H 1 2.282 0.004 . . . . . . A 4 CYS HB2 . 30324 1 28 . 1 . 1 4 4 CYS HB3 H 1 2.230 0.007 . . . . . . A 4 CYS HB3 . 30324 1 29 . 1 . 1 4 4 CYS CA C 13 55.288 0.000 . . . . . . A 4 CYS CA . 30324 1 30 . 1 . 1 4 4 CYS CB C 13 42.173 0.003 . . . . . . A 4 CYS CB . 30324 1 31 . 1 . 1 4 4 CYS N N 15 122.576 0.000 . . . . . . A 4 CYS N . 30324 1 32 . 1 . 1 5 5 PRO HA H 1 4.401 0.005 . . . . . . A 5 PRO HA . 30324 1 33 . 1 . 1 5 5 PRO HB2 H 1 1.932 0.005 . . . . . . A 5 PRO HB2 . 30324 1 34 . 1 . 1 5 5 PRO HB3 H 1 2.295 0.004 . . . . . . A 5 PRO HB3 . 30324 1 35 . 1 . 1 5 5 PRO HG2 H 1 1.956 0.010 . . . . . . A 5 PRO HG2 . 30324 1 36 . 1 . 1 5 5 PRO HG3 H 1 2.011 0.006 . . . . . . A 5 PRO HG3 . 30324 1 37 . 1 . 1 5 5 PRO HD2 H 1 3.710 0.001 . . . . . . A 5 PRO HD2 . 30324 1 38 . 1 . 1 5 5 PRO HD3 H 1 3.755 0.000 . . . . . . A 5 PRO HD3 . 30324 1 39 . 1 . 1 5 5 PRO CA C 13 65.842 0.000 . . . . . . A 5 PRO CA . 30324 1 40 . 1 . 1 5 5 PRO CB C 13 35.036 0.002 . . . . . . A 5 PRO CB . 30324 1 41 . 1 . 1 5 5 PRO CG C 13 30.186 0.002 . . . . . . A 5 PRO CG . 30324 1 42 . 1 . 1 5 5 PRO CD C 13 53.641 0.000 . . . . . . A 5 PRO CD . 30324 1 43 . 1 . 1 6 6 LYS H H 1 8.062 0.002 . . . . . . A 6 LYS H . 30324 1 44 . 1 . 1 6 6 LYS HA H 1 4.322 0.008 . . . . . . A 6 LYS HA . 30324 1 45 . 1 . 1 6 6 LYS HB2 H 1 1.717 0.002 . . . . . . A 6 LYS HB2 . 30324 1 46 . 1 . 1 6 6 LYS HB3 H 1 1.874 0.001 . . . . . . A 6 LYS HB3 . 30324 1 47 . 1 . 1 6 6 LYS HG2 H 1 1.401 0.000 . . . . . . A 6 LYS HG2 . 30324 1 48 . 1 . 1 6 6 LYS HG3 H 1 1.464 0.000 . . . . . . A 6 LYS HG3 . 30324 1 49 . 1 . 1 6 6 LYS HD3 H 1 1.620 0.003 . . . . . . A 6 LYS HD3 . 30324 1 50 . 1 . 1 6 6 LYS HE3 H 1 3.334 0.002 . . . . . . A 6 LYS HE3 . 30324 1 51 . 1 . 1 6 6 LYS CA C 13 58.981 0.000 . . . . . . A 6 LYS CA . 30324 1 52 . 1 . 1 6 6 LYS CB C 13 34.384 0.000 . . . . . . A 6 LYS CB . 30324 1 53 . 1 . 1 6 6 LYS CG C 13 27.763 0.000 . . . . . . A 6 LYS CG . 30324 1 54 . 1 . 1 6 6 LYS CD C 13 32.858 0.000 . . . . . . A 6 LYS CD . 30324 1 55 . 1 . 1 6 6 LYS CE C 13 56.322 0.000 . . . . . . A 6 LYS CE . 30324 1 56 . 1 . 1 6 6 LYS N N 15 121.226 0.000 . . . . . . A 6 LYS N . 30324 1 57 . 1 . 1 7 7 ILE H H 1 7.565 0.001 . . . . . . A 7 ILE H . 30324 1 58 . 1 . 1 7 7 ILE HA H 1 4.263 0.001 . . . . . . A 7 ILE HA . 30324 1 59 . 1 . 1 7 7 ILE HB H 1 1.850 0.000 . . . . . . A 7 ILE HB . 30324 1 60 . 1 . 1 7 7 ILE HG12 H 1 1.367 0.002 . . . . . . A 7 ILE HG12 . 30324 1 61 . 1 . 1 7 7 ILE HG13 H 1 1.128 0.001 . . . . . . A 7 ILE HG13 . 30324 1 62 . 1 . 1 7 7 ILE HG21 H 1 0.863 0.001 . . . . . . A 7 ILE HG21 . 30324 1 63 . 1 . 1 7 7 ILE HG22 H 1 0.863 0.001 . . . . . . A 7 ILE HG22 . 30324 1 64 . 1 . 1 7 7 ILE HG23 H 1 0.863 0.001 . . . . . . A 7 ILE HG23 . 30324 1 65 . 1 . 1 7 7 ILE HD11 H 1 0.851 0.000 . . . . . . A 7 ILE HD11 . 30324 1 66 . 1 . 1 7 7 ILE HD12 H 1 0.851 0.000 . . . . . . A 7 ILE HD12 . 30324 1 67 . 1 . 1 7 7 ILE HD13 H 1 0.851 0.000 . . . . . . A 7 ILE HD13 . 30324 1 68 . 1 . 1 7 7 ILE CA C 13 62.943 0.000 . . . . . . A 7 ILE CA . 30324 1 69 . 1 . 1 7 7 ILE CB C 13 42.477 0.000 . . . . . . A 7 ILE CB . 30324 1 70 . 1 . 1 7 7 ILE CG1 C 13 29.578 0.006 . . . . . . A 7 ILE CG1 . 30324 1 71 . 1 . 1 7 7 ILE CG2 C 13 20.206 0.000 . . . . . . A 7 ILE CG2 . 30324 1 72 . 1 . 1 7 7 ILE CD1 C 13 16.142 0.000 . . . . . . A 7 ILE CD1 . 30324 1 73 . 1 . 1 7 7 ILE N N 15 120.362 0.000 . . . . . . A 7 ILE N . 30324 1 74 . 1 . 1 8 8 LEU H H 1 8.468 0.002 . . . . . . A 8 LEU H . 30324 1 75 . 1 . 1 8 8 LEU HA H 1 4.353 0.003 . . . . . . A 8 LEU HA . 30324 1 76 . 1 . 1 8 8 LEU HB3 H 1 1.575 0.003 . . . . . . A 8 LEU HB3 . 30324 1 77 . 1 . 1 8 8 LEU HG H 1 1.507 0.006 . . . . . . A 8 LEU HG . 30324 1 78 . 1 . 1 8 8 LEU HD11 H 1 0.708 0.007 . . . . . . A 8 LEU HD11 . 30324 1 79 . 1 . 1 8 8 LEU HD12 H 1 0.708 0.007 . . . . . . A 8 LEU HD12 . 30324 1 80 . 1 . 1 8 8 LEU HD13 H 1 0.708 0.007 . . . . . . A 8 LEU HD13 . 30324 1 81 . 1 . 1 8 8 LEU HD21 H 1 0.735 0.003 . . . . . . A 8 LEU HD21 . 30324 1 82 . 1 . 1 8 8 LEU HD22 H 1 0.735 0.003 . . . . . . A 8 LEU HD22 . 30324 1 83 . 1 . 1 8 8 LEU HD23 H 1 0.735 0.003 . . . . . . A 8 LEU HD23 . 30324 1 84 . 1 . 1 8 8 LEU CA C 13 57.597 0.000 . . . . . . A 8 LEU CA . 30324 1 85 . 1 . 1 8 8 LEU CB C 13 44.052 0.000 . . . . . . A 8 LEU CB . 30324 1 86 . 1 . 1 8 8 LEU CG C 13 29.719 0.000 . . . . . . A 8 LEU CG . 30324 1 87 . 1 . 1 8 8 LEU CD1 C 13 26.203 0.000 . . . . . . A 8 LEU CD1 . 30324 1 88 . 1 . 1 8 8 LEU CD2 C 13 27.397 0.000 . . . . . . A 8 LEU CD2 . 30324 1 89 . 1 . 1 8 8 LEU N N 15 125.764 0.000 . . . . . . A 8 LEU N . 30324 1 90 . 1 . 1 9 9 GLN H H 1 8.692 0.001 . . . . . . A 9 GLN H . 30324 1 91 . 1 . 1 9 9 GLN HA H 1 4.571 0.001 . . . . . . A 9 GLN HA . 30324 1 92 . 1 . 1 9 9 GLN HB2 H 1 1.978 0.005 . . . . . . A 9 GLN HB2 . 30324 1 93 . 1 . 1 9 9 GLN HB3 H 1 1.776 0.004 . . . . . . A 9 GLN HB3 . 30324 1 94 . 1 . 1 9 9 GLN HG2 H 1 2.348 0.003 . . . . . . A 9 GLN HG2 . 30324 1 95 . 1 . 1 9 9 GLN HG3 H 1 2.424 0.003 . . . . . . A 9 GLN HG3 . 30324 1 96 . 1 . 1 9 9 GLN HE21 H 1 7.478 0.001 . . . . . . A 9 GLN HE21 . 30324 1 97 . 1 . 1 9 9 GLN HE22 H 1 6.923 0.000 . . . . . . A 9 GLN HE22 . 30324 1 98 . 1 . 1 9 9 GLN CA C 13 57.682 0.000 . . . . . . A 9 GLN CA . 30324 1 99 . 1 . 1 9 9 GLN CB C 13 34.018 0.000 . . . . . . A 9 GLN CB . 30324 1 100 . 1 . 1 9 9 GLN CG C 13 36.364 0.002 . . . . . . A 9 GLN CG . 30324 1 101 . 1 . 1 9 9 GLN N N 15 124.926 0.000 . . . . . . A 9 GLN N . 30324 1 102 . 1 . 1 9 9 GLN NE2 N 15 112.151 0.004 . . . . . . A 9 GLN NE2 . 30324 1 103 . 1 . 1 10 10 ARG H H 1 8.711 0.001 . . . . . . A 10 ARG H . 30324 1 104 . 1 . 1 10 10 ARG HA H 1 4.454 0.002 . . . . . . A 10 ARG HA . 30324 1 105 . 1 . 1 10 10 ARG HB2 H 1 1.683 0.005 . . . . . . A 10 ARG HB2 . 30324 1 106 . 1 . 1 10 10 ARG HB3 H 1 1.629 0.004 . . . . . . A 10 ARG HB3 . 30324 1 107 . 1 . 1 10 10 ARG HG3 H 1 1.264 0.002 . . . . . . A 10 ARG HG3 . 30324 1 108 . 1 . 1 10 10 ARG HD2 H 1 2.987 0.000 . . . . . . A 10 ARG HD2 . 30324 1 109 . 1 . 1 10 10 ARG HD3 H 1 2.911 0.001 . . . . . . A 10 ARG HD3 . 30324 1 110 . 1 . 1 10 10 ARG HE H 1 6.975 0.000 . . . . . . A 10 ARG HE . 30324 1 111 . 1 . 1 10 10 ARG CA C 13 58.798 0.000 . . . . . . A 10 ARG CA . 30324 1 112 . 1 . 1 10 10 ARG CB C 13 33.475 0.001 . . . . . . A 10 ARG CB . 30324 1 113 . 1 . 1 10 10 ARG CG C 13 30.492 0.000 . . . . . . A 10 ARG CG . 30324 1 114 . 1 . 1 10 10 ARG CD C 13 45.476 0.005 . . . . . . A 10 ARG CD . 30324 1 115 . 1 . 1 10 10 ARG N N 15 127.003 0.000 . . . . . . A 10 ARG N . 30324 1 116 . 1 . 1 10 10 ARG NE N 15 119.683 0.000 . . . . . . A 10 ARG NE . 30324 1 117 . 1 . 1 11 11 CYS H H 1 8.391 0.003 . . . . . . A 11 CYS H . 30324 1 118 . 1 . 1 11 11 CYS HA H 1 4.868 0.007 . . . . . . A 11 CYS HA . 30324 1 119 . 1 . 1 11 11 CYS HB2 H 1 3.001 0.005 . . . . . . A 11 CYS HB2 . 30324 1 120 . 1 . 1 11 11 CYS HB3 H 1 3.177 0.003 . . . . . . A 11 CYS HB3 . 30324 1 121 . 1 . 1 11 11 CYS CA C 13 56.552 0.000 . . . . . . A 11 CYS CA . 30324 1 122 . 1 . 1 11 11 CYS CB C 13 50.486 0.000 . . . . . . A 11 CYS CB . 30324 1 123 . 1 . 1 11 11 CYS N N 15 115.992 0.000 . . . . . . A 11 CYS N . 30324 1 124 . 1 . 1 12 12 ARG H H 1 9.371 0.002 . . . . . . A 12 ARG H . 30324 1 125 . 1 . 1 12 12 ARG HA H 1 4.451 0.004 . . . . . . A 12 ARG HA . 30324 1 126 . 1 . 1 12 12 ARG HB2 H 1 1.738 0.003 . . . . . . A 12 ARG HB2 . 30324 1 127 . 1 . 1 12 12 ARG HB3 H 1 1.889 0.000 . . . . . . A 12 ARG HB3 . 30324 1 128 . 1 . 1 12 12 ARG HG3 H 1 1.629 0.001 . . . . . . A 12 ARG HG3 . 30324 1 129 . 1 . 1 12 12 ARG HD3 H 1 3.182 0.001 . . . . . . A 12 ARG HD3 . 30324 1 130 . 1 . 1 12 12 ARG HE H 1 7.297 0.002 . . . . . . A 12 ARG HE . 30324 1 131 . 1 . 1 12 12 ARG CA C 13 58.542 0.000 . . . . . . A 12 ARG CA . 30324 1 132 . 1 . 1 12 12 ARG CB C 13 34.793 0.000 . . . . . . A 12 ARG CB . 30324 1 133 . 1 . 1 12 12 ARG CG C 13 29.726 0.000 . . . . . . A 12 ARG CG . 30324 1 134 . 1 . 1 12 12 ARG CD C 13 45.653 0.000 . . . . . . A 12 ARG CD . 30324 1 135 . 1 . 1 12 12 ARG N N 15 117.888 0.000 . . . . . . A 12 ARG N . 30324 1 136 . 1 . 1 12 12 ARG NE N 15 119.744 0.000 . . . . . . A 12 ARG NE . 30324 1 137 . 1 . 1 13 13 ARG H H 1 8.057 0.001 . . . . . . A 13 ARG H . 30324 1 138 . 1 . 1 13 13 ARG HA H 1 4.722 0.001 . . . . . . A 13 ARG HA . 30324 1 139 . 1 . 1 13 13 ARG HB2 H 1 1.805 0.006 . . . . . . A 13 ARG HB2 . 30324 1 140 . 1 . 1 13 13 ARG HB3 H 1 2.036 0.003 . . . . . . A 13 ARG HB3 . 30324 1 141 . 1 . 1 13 13 ARG HG2 H 1 1.453 0.002 . . . . . . A 13 ARG HG2 . 30324 1 142 . 1 . 1 13 13 ARG HG3 H 1 1.561 0.003 . . . . . . A 13 ARG HG3 . 30324 1 143 . 1 . 1 13 13 ARG HD2 H 1 3.138 0.000 . . . . . . A 13 ARG HD2 . 30324 1 144 . 1 . 1 13 13 ARG HD3 H 1 3.149 0.002 . . . . . . A 13 ARG HD3 . 30324 1 145 . 1 . 1 13 13 ARG HE H 1 7.141 0.002 . . . . . . A 13 ARG HE . 30324 1 146 . 1 . 1 13 13 ARG CA C 13 56.447 0.000 . . . . . . A 13 ARG CA . 30324 1 147 . 1 . 1 13 13 ARG CB C 13 35.474 0.000 . . . . . . A 13 ARG CB . 30324 1 148 . 1 . 1 13 13 ARG CG C 13 28.356 0.001 . . . . . . A 13 ARG CG . 30324 1 149 . 1 . 1 13 13 ARG CD C 13 45.956 0.000 . . . . . . A 13 ARG CD . 30324 1 150 . 1 . 1 13 13 ARG N N 15 116.752 0.000 . . . . . . A 13 ARG N . 30324 1 151 . 1 . 1 13 13 ARG NE N 15 119.447 0.000 . . . . . . A 13 ARG NE . 30324 1 152 . 1 . 1 14 14 ASP H H 1 9.407 0.001 . . . . . . A 14 ASP H . 30324 1 153 . 1 . 1 14 14 ASP HA H 1 4.133 0.005 . . . . . . A 14 ASP HA . 30324 1 154 . 1 . 1 14 14 ASP HB2 H 1 2.919 0.000 . . . . . . A 14 ASP HB2 . 30324 1 155 . 1 . 1 14 14 ASP HB3 H 1 3.096 0.006 . . . . . . A 14 ASP HB3 . 30324 1 156 . 1 . 1 14 14 ASP CA C 13 60.571 0.000 . . . . . . A 14 ASP CA . 30324 1 157 . 1 . 1 14 14 ASP CB C 13 40.056 0.000 . . . . . . A 14 ASP CB . 30324 1 158 . 1 . 1 14 14 ASP N N 15 122.967 0.000 . . . . . . A 14 ASP N . 30324 1 159 . 1 . 1 15 15 SER H H 1 8.211 0.003 . . . . . . A 15 SER H . 30324 1 160 . 1 . 1 15 15 SER HA H 1 4.299 0.001 . . . . . . A 15 SER HA . 30324 1 161 . 1 . 1 15 15 SER HB2 H 1 3.828 0.004 . . . . . . A 15 SER HB2 . 30324 1 162 . 1 . 1 15 15 SER HB3 H 1 4.121 0.001 . . . . . . A 15 SER HB3 . 30324 1 163 . 1 . 1 15 15 SER CA C 13 62.714 0.000 . . . . . . A 15 SER CA . 30324 1 164 . 1 . 1 15 15 SER CB C 13 64.814 0.001 . . . . . . A 15 SER CB . 30324 1 165 . 1 . 1 15 15 SER N N 15 111.457 0.000 . . . . . . A 15 SER N . 30324 1 166 . 1 . 1 16 16 ASP H H 1 7.685 0.002 . . . . . . A 16 ASP H . 30324 1 167 . 1 . 1 16 16 ASP HA H 1 4.634 0.003 . . . . . . A 16 ASP HA . 30324 1 168 . 1 . 1 16 16 ASP HB2 H 1 3.055 0.003 . . . . . . A 16 ASP HB2 . 30324 1 169 . 1 . 1 16 16 ASP HB3 H 1 3.015 0.001 . . . . . . A 16 ASP HB3 . 30324 1 170 . 1 . 1 16 16 ASP CA C 13 58.128 0.000 . . . . . . A 16 ASP CA . 30324 1 171 . 1 . 1 16 16 ASP CB C 13 44.761 0.000 . . . . . . A 16 ASP CB . 30324 1 172 . 1 . 1 16 16 ASP N N 15 120.309 0.000 . . . . . . A 16 ASP N . 30324 1 173 . 1 . 1 17 17 CYS H H 1 8.034 0.001 . . . . . . A 17 CYS H . 30324 1 174 . 1 . 1 17 17 CYS HA H 1 5.006 0.008 . . . . . . A 17 CYS HA . 30324 1 175 . 1 . 1 17 17 CYS HB2 H 1 2.644 0.011 . . . . . . A 17 CYS HB2 . 30324 1 176 . 1 . 1 17 17 CYS HB3 H 1 2.775 0.001 . . . . . . A 17 CYS HB3 . 30324 1 177 . 1 . 1 17 17 CYS CA C 13 54.572 0.000 . . . . . . A 17 CYS CA . 30324 1 178 . 1 . 1 17 17 CYS CB C 13 42.797 0.003 . . . . . . A 17 CYS CB . 30324 1 179 . 1 . 1 17 17 CYS N N 15 117.584 0.000 . . . . . . A 17 CYS N . 30324 1 180 . 1 . 1 18 18 PRO HA H 1 4.585 0.002 . . . . . . A 18 PRO HA . 30324 1 181 . 1 . 1 18 18 PRO HB2 H 1 2.315 0.003 . . . . . . A 18 PRO HB2 . 30324 1 182 . 1 . 1 18 18 PRO HB3 H 1 2.105 0.001 . . . . . . A 18 PRO HB3 . 30324 1 183 . 1 . 1 18 18 PRO HG2 H 1 1.927 0.003 . . . . . . A 18 PRO HG2 . 30324 1 184 . 1 . 1 18 18 PRO HG3 H 1 2.019 0.003 . . . . . . A 18 PRO HG3 . 30324 1 185 . 1 . 1 18 18 PRO HD2 H 1 3.859 0.005 . . . . . . A 18 PRO HD2 . 30324 1 186 . 1 . 1 18 18 PRO HD3 H 1 3.351 0.009 . . . . . . A 18 PRO HD3 . 30324 1 187 . 1 . 1 18 18 PRO CA C 13 64.961 0.000 . . . . . . A 18 PRO CA . 30324 1 188 . 1 . 1 18 18 PRO CB C 13 34.604 0.000 . . . . . . A 18 PRO CB . 30324 1 189 . 1 . 1 18 18 PRO CG C 13 29.966 0.013 . . . . . . A 18 PRO CG . 30324 1 190 . 1 . 1 18 18 PRO CD C 13 52.816 0.003 . . . . . . A 18 PRO CD . 30324 1 191 . 1 . 1 19 19 GLY H H 1 8.441 0.001 . . . . . . A 19 GLY H . 30324 1 192 . 1 . 1 19 19 GLY HA2 H 1 3.840 0.000 . . . . . . A 19 GLY HA2 . 30324 1 193 . 1 . 1 19 19 GLY HA3 H 1 3.835 0.003 . . . . . . A 19 GLY HA3 . 30324 1 194 . 1 . 1 19 19 GLY CA C 13 49.952 0.000 . . . . . . A 19 GLY CA . 30324 1 195 . 1 . 1 19 19 GLY N N 15 106.352 0.000 . . . . . . A 19 GLY N . 30324 1 196 . 1 . 1 20 20 ALA H H 1 8.238 0.000 . . . . . . A 20 ALA H . 30324 1 197 . 1 . 1 20 20 ALA HA H 1 4.461 0.003 . . . . . . A 20 ALA HA . 30324 1 198 . 1 . 1 20 20 ALA HB1 H 1 1.316 0.002 . . . . . . A 20 ALA HB1 . 30324 1 199 . 1 . 1 20 20 ALA HB2 H 1 1.316 0.002 . . . . . . A 20 ALA HB2 . 30324 1 200 . 1 . 1 20 20 ALA HB3 H 1 1.316 0.002 . . . . . . A 20 ALA HB3 . 30324 1 201 . 1 . 1 20 20 ALA CA C 13 54.215 0.000 . . . . . . A 20 ALA CA . 30324 1 202 . 1 . 1 20 20 ALA CB C 13 21.447 0.000 . . . . . . A 20 ALA CB . 30324 1 203 . 1 . 1 20 20 ALA N N 15 125.246 0.000 . . . . . . A 20 ALA N . 30324 1 204 . 1 . 1 21 21 CYS H H 1 8.128 0.001 . . . . . . A 21 CYS H . 30324 1 205 . 1 . 1 21 21 CYS HA H 1 4.545 0.001 . . . . . . A 21 CYS HA . 30324 1 206 . 1 . 1 21 21 CYS HB2 H 1 3.012 0.002 . . . . . . A 21 CYS HB2 . 30324 1 207 . 1 . 1 21 21 CYS HB3 H 1 3.160 0.005 . . . . . . A 21 CYS HB3 . 30324 1 208 . 1 . 1 21 21 CYS CA C 13 57.511 0.000 . . . . . . A 21 CYS CA . 30324 1 209 . 1 . 1 21 21 CYS CB C 13 45.153 0.000 . . . . . . A 21 CYS CB . 30324 1 210 . 1 . 1 21 21 CYS N N 15 115.455 0.000 . . . . . . A 21 CYS N . 30324 1 211 . 1 . 1 22 22 ILE H H 1 8.827 0.001 . . . . . . A 22 ILE H . 30324 1 212 . 1 . 1 22 22 ILE HA H 1 4.417 0.002 . . . . . . A 22 ILE HA . 30324 1 213 . 1 . 1 22 22 ILE HB H 1 1.840 0.003 . . . . . . A 22 ILE HB . 30324 1 214 . 1 . 1 22 22 ILE HG12 H 1 0.803 0.001 . . . . . . A 22 ILE HG12 . 30324 1 215 . 1 . 1 22 22 ILE HG13 H 1 0.987 0.002 . . . . . . A 22 ILE HG13 . 30324 1 216 . 1 . 1 22 22 ILE HG21 H 1 0.840 0.001 . . . . . . A 22 ILE HG21 . 30324 1 217 . 1 . 1 22 22 ILE HG22 H 1 0.840 0.001 . . . . . . A 22 ILE HG22 . 30324 1 218 . 1 . 1 22 22 ILE HG23 H 1 0.840 0.001 . . . . . . A 22 ILE HG23 . 30324 1 219 . 1 . 1 22 22 ILE HD11 H 1 0.697 0.004 . . . . . . A 22 ILE HD11 . 30324 1 220 . 1 . 1 22 22 ILE HD12 H 1 0.697 0.004 . . . . . . A 22 ILE HD12 . 30324 1 221 . 1 . 1 22 22 ILE HD13 H 1 0.697 0.004 . . . . . . A 22 ILE HD13 . 30324 1 222 . 1 . 1 22 22 ILE CA C 13 61.575 0.000 . . . . . . A 22 ILE CA . 30324 1 223 . 1 . 1 22 22 ILE CB C 13 44.097 0.000 . . . . . . A 22 ILE CB . 30324 1 224 . 1 . 1 22 22 ILE CG1 C 13 28.881 0.005 . . . . . . A 22 ILE CG1 . 30324 1 225 . 1 . 1 22 22 ILE CG2 C 13 22.128 0.000 . . . . . . A 22 ILE CG2 . 30324 1 226 . 1 . 1 22 22 ILE CD1 C 13 17.218 0.000 . . . . . . A 22 ILE CD1 . 30324 1 227 . 1 . 1 22 22 ILE N N 15 112.123 0.000 . . . . . . A 22 ILE N . 30324 1 228 . 1 . 1 23 23 CYS H H 1 8.601 0.002 . . . . . . A 23 CYS H . 30324 1 229 . 1 . 1 23 23 CYS HA H 1 4.945 0.009 . . . . . . A 23 CYS HA . 30324 1 230 . 1 . 1 23 23 CYS HB2 H 1 2.772 0.004 . . . . . . A 23 CYS HB2 . 30324 1 231 . 1 . 1 23 23 CYS HB3 H 1 2.502 0.007 . . . . . . A 23 CYS HB3 . 30324 1 232 . 1 . 1 23 23 CYS CA C 13 57.592 0.000 . . . . . . A 23 CYS CA . 30324 1 233 . 1 . 1 23 23 CYS CB C 13 40.663 0.000 . . . . . . A 23 CYS CB . 30324 1 234 . 1 . 1 23 23 CYS N N 15 119.859 0.000 . . . . . . A 23 CYS N . 30324 1 235 . 1 . 1 24 24 ARG H H 1 8.173 0.001 . . . . . . A 24 ARG H . 30324 1 236 . 1 . 1 24 24 ARG HA H 1 4.309 0.004 . . . . . . A 24 ARG HA . 30324 1 237 . 1 . 1 24 24 ARG HB2 H 1 2.050 0.003 . . . . . . A 24 ARG HB2 . 30324 1 238 . 1 . 1 24 24 ARG HB3 H 1 2.484 0.003 . . . . . . A 24 ARG HB3 . 30324 1 239 . 1 . 1 24 24 ARG HG2 H 1 1.466 0.003 . . . . . . A 24 ARG HG2 . 30324 1 240 . 1 . 1 24 24 ARG HG3 H 1 1.657 0.004 . . . . . . A 24 ARG HG3 . 30324 1 241 . 1 . 1 24 24 ARG HD2 H 1 3.188 0.000 . . . . . . A 24 ARG HD2 . 30324 1 242 . 1 . 1 24 24 ARG HD3 H 1 3.199 0.001 . . . . . . A 24 ARG HD3 . 30324 1 243 . 1 . 1 24 24 ARG HE H 1 6.764 0.000 . . . . . . A 24 ARG HE . 30324 1 244 . 1 . 1 24 24 ARG CA C 13 59.351 0.000 . . . . . . A 24 ARG CA . 30324 1 245 . 1 . 1 24 24 ARG CB C 13 34.040 0.007 . . . . . . A 24 ARG CB . 30324 1 246 . 1 . 1 24 24 ARG CG C 13 31.070 0.001 . . . . . . A 24 ARG CG . 30324 1 247 . 1 . 1 24 24 ARG CD C 13 45.655 0.000 . . . . . . A 24 ARG CD . 30324 1 248 . 1 . 1 24 24 ARG N N 15 128.676 0.000 . . . . . . A 24 ARG N . 30324 1 249 . 1 . 1 24 24 ARG NE N 15 117.960 0.000 . . . . . . A 24 ARG NE . 30324 1 250 . 1 . 1 25 25 GLY H H 1 8.790 0.002 . . . . . . A 25 GLY H . 30324 1 251 . 1 . 1 25 25 GLY HA2 H 1 3.949 0.000 . . . . . . A 25 GLY HA2 . 30324 1 252 . 1 . 1 25 25 GLY HA3 H 1 3.945 0.001 . . . . . . A 25 GLY HA3 . 30324 1 253 . 1 . 1 25 25 GLY CA C 13 49.494 0.000 . . . . . . A 25 GLY CA . 30324 1 254 . 1 . 1 25 25 GLY N N 15 108.056 0.000 . . . . . . A 25 GLY N . 30324 1 255 . 1 . 1 26 26 ASN H H 1 7.825 0.003 . . . . . . A 26 ASN H . 30324 1 256 . 1 . 1 26 26 ASN HA H 1 4.697 0.001 . . . . . . A 26 ASN HA . 30324 1 257 . 1 . 1 26 26 ASN HB2 H 1 2.884 0.002 . . . . . . A 26 ASN HB2 . 30324 1 258 . 1 . 1 26 26 ASN HB3 H 1 3.315 0.004 . . . . . . A 26 ASN HB3 . 30324 1 259 . 1 . 1 26 26 ASN HD21 H 1 7.580 0.001 . . . . . . A 26 ASN HD21 . 30324 1 260 . 1 . 1 26 26 ASN HD22 H 1 6.652 0.002 . . . . . . A 26 ASN HD22 . 30324 1 261 . 1 . 1 26 26 ASN CA C 13 54.907 0.000 . . . . . . A 26 ASN CA . 30324 1 262 . 1 . 1 26 26 ASN CB C 13 39.658 0.000 . . . . . . A 26 ASN CB . 30324 1 263 . 1 . 1 26 26 ASN N N 15 115.791 0.000 . . . . . . A 26 ASN N . 30324 1 264 . 1 . 1 26 26 ASN ND2 N 15 108.674 0.006 . . . . . . A 26 ASN ND2 . 30324 1 265 . 1 . 1 27 27 GLY H H 1 8.383 0.003 . . . . . . A 27 GLY H . 30324 1 266 . 1 . 1 27 27 GLY HA2 H 1 3.979 0.004 . . . . . . A 27 GLY HA2 . 30324 1 267 . 1 . 1 27 27 GLY HA3 H 1 3.686 0.003 . . . . . . A 27 GLY HA3 . 30324 1 268 . 1 . 1 27 27 GLY CA C 13 48.910 0.010 . . . . . . A 27 GLY CA . 30324 1 269 . 1 . 1 27 27 GLY N N 15 107.225 0.000 . . . . . . A 27 GLY N . 30324 1 270 . 1 . 1 28 28 TYR H H 1 7.272 0.003 . . . . . . A 28 TYR H . 30324 1 271 . 1 . 1 28 28 TYR HA H 1 5.277 0.003 . . . . . . A 28 TYR HA . 30324 1 272 . 1 . 1 28 28 TYR HB2 H 1 2.618 0.003 . . . . . . A 28 TYR HB2 . 30324 1 273 . 1 . 1 28 28 TYR HB3 H 1 3.009 0.003 . . . . . . A 28 TYR HB3 . 30324 1 274 . 1 . 1 28 28 TYR HD1 H 1 6.832 0.003 . . . . . . A 28 TYR HD1 . 30324 1 275 . 1 . 1 28 28 TYR HD2 H 1 6.832 0.003 . . . . . . A 28 TYR HD2 . 30324 1 276 . 1 . 1 28 28 TYR HE1 H 1 6.700 0.002 . . . . . . A 28 TYR HE1 . 30324 1 277 . 1 . 1 28 28 TYR HE2 H 1 6.700 0.002 . . . . . . A 28 TYR HE2 . 30324 1 278 . 1 . 1 28 28 TYR CA C 13 59.566 0.000 . . . . . . A 28 TYR CA . 30324 1 279 . 1 . 1 28 28 TYR CB C 13 44.374 0.008 . . . . . . A 28 TYR CB . 30324 1 280 . 1 . 1 28 28 TYR N N 15 116.499 0.000 . . . . . . A 28 TYR N . 30324 1 281 . 1 . 1 29 29 CYS H H 1 8.817 0.001 . . . . . . A 29 CYS H . 30324 1 282 . 1 . 1 29 29 CYS HA H 1 5.378 0.005 . . . . . . A 29 CYS HA . 30324 1 283 . 1 . 1 29 29 CYS HB2 H 1 2.766 0.002 . . . . . . A 29 CYS HB2 . 30324 1 284 . 1 . 1 29 29 CYS HB3 H 1 3.100 0.006 . . . . . . A 29 CYS HB3 . 30324 1 285 . 1 . 1 29 29 CYS CA C 13 58.039 0.000 . . . . . . A 29 CYS CA . 30324 1 286 . 1 . 1 29 29 CYS CB C 13 43.201 0.005 . . . . . . A 29 CYS CB . 30324 1 287 . 1 . 1 29 29 CYS N N 15 120.585 0.000 . . . . . . A 29 CYS N . 30324 1 288 . 1 . 1 30 30 GLY H H 1 9.656 0.002 . . . . . . A 30 GLY H . 30324 1 289 . 1 . 1 30 30 GLY HA2 H 1 4.357 0.000 . . . . . . A 30 GLY HA2 . 30324 1 290 . 1 . 1 30 30 GLY HA3 H 1 3.852 0.001 . . . . . . A 30 GLY HA3 . 30324 1 291 . 1 . 1 30 30 GLY CA C 13 48.354 0.013 . . . . . . A 30 GLY CA . 30324 1 292 . 1 . 1 30 30 GLY N N 15 109.065 0.000 . . . . . . A 30 GLY N . 30324 1 293 . 1 . 1 31 31 TYR H H 1 8.589 0.001 . . . . . . A 31 TYR H . 30324 1 294 . 1 . 1 31 31 TYR HA H 1 4.631 0.010 . . . . . . A 31 TYR HA . 30324 1 295 . 1 . 1 31 31 TYR HB2 H 1 2.765 0.008 . . . . . . A 31 TYR HB2 . 30324 1 296 . 1 . 1 31 31 TYR HB3 H 1 3.023 0.003 . . . . . . A 31 TYR HB3 . 30324 1 297 . 1 . 1 31 31 TYR HD1 H 1 7.157 0.001 . . . . . . A 31 TYR HD1 . 30324 1 298 . 1 . 1 31 31 TYR HD2 H 1 7.157 0.001 . . . . . . A 31 TYR HD2 . 30324 1 299 . 1 . 1 31 31 TYR HE1 H 1 6.916 0.001 . . . . . . A 31 TYR HE1 . 30324 1 300 . 1 . 1 31 31 TYR HE2 H 1 6.916 0.001 . . . . . . A 31 TYR HE2 . 30324 1 301 . 1 . 1 31 31 TYR CA C 13 60.502 0.000 . . . . . . A 31 TYR CA . 30324 1 302 . 1 . 1 31 31 TYR CB C 13 40.697 0.003 . . . . . . A 31 TYR CB . 30324 1 303 . 1 . 1 32 32 PRO HA H 1 4.276 0.004 . . . . . . A 32 PRO HA . 30324 1 304 . 1 . 1 32 32 PRO HB2 H 1 1.814 0.002 . . . . . . A 32 PRO HB2 . 30324 1 305 . 1 . 1 32 32 PRO HB3 H 1 2.221 0.003 . . . . . . A 32 PRO HB3 . 30324 1 306 . 1 . 1 32 32 PRO HG2 H 1 1.894 0.006 . . . . . . A 32 PRO HG2 . 30324 1 307 . 1 . 1 32 32 PRO HG3 H 1 1.940 0.000 . . . . . . A 32 PRO HG3 . 30324 1 308 . 1 . 1 32 32 PRO HD2 H 1 3.820 0.003 . . . . . . A 32 PRO HD2 . 30324 1 309 . 1 . 1 32 32 PRO HD3 H 1 3.444 0.003 . . . . . . A 32 PRO HD3 . 30324 1 310 . 1 . 1 32 32 PRO CA C 13 65.643 0.000 . . . . . . A 32 PRO CA . 30324 1 311 . 1 . 1 32 32 PRO CB C 13 34.391 0.006 . . . . . . A 32 PRO CB . 30324 1 312 . 1 . 1 32 32 PRO CG C 13 30.320 0.000 . . . . . . A 32 PRO CG . 30324 1 313 . 1 . 1 32 32 PRO CD C 13 53.330 0.003 . . . . . . A 32 PRO CD . 30324 1 314 . 1 . 1 33 33 TYR H H 1 7.883 0.001 . . . . . . A 33 TYR H . 30324 1 315 . 1 . 1 33 33 TYR HA H 1 4.454 0.004 . . . . . . A 33 TYR HA . 30324 1 316 . 1 . 1 33 33 TYR HB2 H 1 3.120 0.003 . . . . . . A 33 TYR HB2 . 30324 1 317 . 1 . 1 33 33 TYR HB3 H 1 2.831 0.003 . . . . . . A 33 TYR HB3 . 30324 1 318 . 1 . 1 33 33 TYR HD1 H 1 7.151 0.001 . . . . . . A 33 TYR HD1 . 30324 1 319 . 1 . 1 33 33 TYR HD2 H 1 7.151 0.001 . . . . . . A 33 TYR HD2 . 30324 1 320 . 1 . 1 33 33 TYR HE1 H 1 6.842 0.002 . . . . . . A 33 TYR HE1 . 30324 1 321 . 1 . 1 33 33 TYR HE2 H 1 6.842 0.002 . . . . . . A 33 TYR HE2 . 30324 1 322 . 1 . 1 33 33 TYR CA C 13 61.211 0.000 . . . . . . A 33 TYR CA . 30324 1 323 . 1 . 1 33 33 TYR CB C 13 41.255 0.002 . . . . . . A 33 TYR CB . 30324 1 324 . 1 . 1 33 33 TYR N N 15 118.768 0.000 . . . . . . A 33 TYR N . 30324 1 325 . 1 . 1 34 34 ASP H H 1 8.422 0.003 . . . . . . A 34 ASP H . 30324 1 326 . 1 . 1 34 34 ASP HA H 1 4.606 0.002 . . . . . . A 34 ASP HA . 30324 1 327 . 1 . 1 34 34 ASP HB2 H 1 2.837 0.008 . . . . . . A 34 ASP HB2 . 30324 1 328 . 1 . 1 34 34 ASP HB3 H 1 2.937 0.002 . . . . . . A 34 ASP HB3 . 30324 1 329 . 1 . 1 34 34 ASP CA C 13 55.732 0.000 . . . . . . A 34 ASP CA . 30324 1 330 . 1 . 1 34 34 ASP CB C 13 40.188 0.001 . . . . . . A 34 ASP CB . 30324 1 331 . 1 . 1 34 34 ASP N N 15 116.802 0.000 . . . . . . A 34 ASP N . 30324 1 332 . 1 . 1 35 35 VAL H H 1 7.652 0.001 . . . . . . A 35 VAL H . 30324 1 333 . 1 . 1 35 35 VAL HA H 1 4.482 0.004 . . . . . . A 35 VAL HA . 30324 1 334 . 1 . 1 35 35 VAL HB H 1 2.071 0.003 . . . . . . A 35 VAL HB . 30324 1 335 . 1 . 1 35 35 VAL HG11 H 1 0.876 0.004 . . . . . . A 35 VAL HG11 . 30324 1 336 . 1 . 1 35 35 VAL HG12 H 1 0.876 0.004 . . . . . . A 35 VAL HG12 . 30324 1 337 . 1 . 1 35 35 VAL HG13 H 1 0.876 0.004 . . . . . . A 35 VAL HG13 . 30324 1 338 . 1 . 1 35 35 VAL HG21 H 1 0.929 0.004 . . . . . . A 35 VAL HG21 . 30324 1 339 . 1 . 1 35 35 VAL HG22 H 1 0.929 0.004 . . . . . . A 35 VAL HG22 . 30324 1 340 . 1 . 1 35 35 VAL HG23 H 1 0.929 0.004 . . . . . . A 35 VAL HG23 . 30324 1 341 . 1 . 1 35 35 VAL CA C 13 62.225 0.000 . . . . . . A 35 VAL CA . 30324 1 342 . 1 . 1 35 35 VAL CB C 13 35.702 0.000 . . . . . . A 35 VAL CB . 30324 1 343 . 1 . 1 35 35 VAL CG1 C 13 22.861 0.000 . . . . . . A 35 VAL CG1 . 30324 1 344 . 1 . 1 35 35 VAL CG2 C 13 23.198 0.000 . . . . . . A 35 VAL CG2 . 30324 1 345 . 1 . 1 35 35 VAL N N 15 118.858 0.000 . . . . . . A 35 VAL N . 30324 1 346 . 1 . 1 36 36 PRO HA H 1 4.276 0.003 . . . . . . A 36 PRO HA . 30324 1 347 . 1 . 1 36 36 PRO HB2 H 1 1.667 0.003 . . . . . . A 36 PRO HB2 . 30324 1 348 . 1 . 1 36 36 PRO HB3 H 1 2.152 0.003 . . . . . . A 36 PRO HB3 . 30324 1 349 . 1 . 1 36 36 PRO HG3 H 1 1.939 0.001 . . . . . . A 36 PRO HG3 . 30324 1 350 . 1 . 1 36 36 PRO HD2 H 1 3.759 0.003 . . . . . . A 36 PRO HD2 . 30324 1 351 . 1 . 1 36 36 PRO HD3 H 1 3.656 0.005 . . . . . . A 36 PRO HD3 . 30324 1 352 . 1 . 1 36 36 PRO CA C 13 66.013 0.000 . . . . . . A 36 PRO CA . 30324 1 353 . 1 . 1 36 36 PRO CB C 13 34.599 0.011 . . . . . . A 36 PRO CB . 30324 1 354 . 1 . 1 36 36 PRO CG C 13 30.003 0.000 . . . . . . A 36 PRO CG . 30324 1 355 . 1 . 1 36 36 PRO CD C 13 53.534 0.003 . . . . . . A 36 PRO CD . 30324 1 356 . 1 . 1 37 37 ASP H H 1 8.256 0.001 . . . . . . A 37 ASP H . 30324 1 357 . 1 . 1 37 37 ASP HA H 1 4.483 0.007 . . . . . . A 37 ASP HA . 30324 1 358 . 1 . 1 37 37 ASP HB2 H 1 2.752 0.006 . . . . . . A 37 ASP HB2 . 30324 1 359 . 1 . 1 37 37 ASP HB3 H 1 2.834 0.007 . . . . . . A 37 ASP HB3 . 30324 1 360 . 1 . 1 37 37 ASP CA C 13 55.506 0.000 . . . . . . A 37 ASP CA . 30324 1 361 . 1 . 1 37 37 ASP CB C 13 40.232 0.001 . . . . . . A 37 ASP CB . 30324 1 362 . 1 . 1 37 37 ASP N N 15 117.257 0.000 . . . . . . A 37 ASP N . 30324 1 363 . 1 . 1 38 38 TYR H H 1 7.775 0.001 . . . . . . A 38 TYR H . 30324 1 364 . 1 . 1 38 38 TYR HA H 1 4.443 0.002 . . . . . . A 38 TYR HA . 30324 1 365 . 1 . 1 38 38 TYR HB2 H 1 3.003 0.002 . . . . . . A 38 TYR HB2 . 30324 1 366 . 1 . 1 38 38 TYR HB3 H 1 2.995 0.002 . . . . . . A 38 TYR HB3 . 30324 1 367 . 1 . 1 38 38 TYR HD1 H 1 7.056 0.001 . . . . . . A 38 TYR HD1 . 30324 1 368 . 1 . 1 38 38 TYR HD2 H 1 7.056 0.001 . . . . . . A 38 TYR HD2 . 30324 1 369 . 1 . 1 38 38 TYR HE1 H 1 6.792 0.003 . . . . . . A 38 TYR HE1 . 30324 1 370 . 1 . 1 38 38 TYR HE2 H 1 6.792 0.003 . . . . . . A 38 TYR HE2 . 30324 1 371 . 1 . 1 38 38 TYR CA C 13 60.583 0.000 . . . . . . A 38 TYR CA . 30324 1 372 . 1 . 1 38 38 TYR CB C 13 41.007 0.000 . . . . . . A 38 TYR CB . 30324 1 373 . 1 . 1 38 38 TYR N N 15 119.572 0.000 . . . . . . A 38 TYR N . 30324 1 374 . 1 . 1 39 39 ALA H H 1 8.157 0.001 . . . . . . A 39 ALA H . 30324 1 375 . 1 . 1 39 39 ALA HA H 1 4.287 0.001 . . . . . . A 39 ALA HA . 30324 1 376 . 1 . 1 39 39 ALA HB1 H 1 1.314 0.007 . . . . . . A 39 ALA HB1 . 30324 1 377 . 1 . 1 39 39 ALA HB2 H 1 1.314 0.007 . . . . . . A 39 ALA HB2 . 30324 1 378 . 1 . 1 39 39 ALA HB3 H 1 1.314 0.007 . . . . . . A 39 ALA HB3 . 30324 1 379 . 1 . 1 39 39 ALA CA C 13 55.165 0.000 . . . . . . A 39 ALA CA . 30324 1 380 . 1 . 1 39 39 ALA CB C 13 21.133 0.000 . . . . . . A 39 ALA CB . 30324 1 381 . 1 . 1 39 39 ALA N N 15 126.040 0.000 . . . . . . A 39 ALA N . 30324 1 stop_ save_