################################### # 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 31076 _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 DQF-COSY' . . . 31076 1 2 '2D 1H-1H TOCSY' . . . 31076 1 3 '2D 1H-1H NOESY' . . . 31076 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 SER HA H 1 4.167 0.000 . . . . . . A 1 SER HA . 31076 1 2 . 1 . 1 1 1 SER HB3 H 1 3.992 0.000 . . . . . . A 1 SER HB3 . 31076 1 3 . 1 . 1 2 2 ASP H H 1 8.896 0.001 . . . . . . A 2 ASP H . 31076 1 4 . 1 . 1 2 2 ASP HA H 1 4.745 0.000 . . . . . . A 2 ASP HA . 31076 1 5 . 1 . 1 2 2 ASP HB2 H 1 2.681 0.000 . . . . . . A 2 ASP HB2 . 31076 1 6 . 1 . 1 2 2 ASP HB3 H 1 2.807 0.000 . . . . . . A 2 ASP HB3 . 31076 1 7 . 1 . 1 3 3 SER H H 1 8.438 0.002 . . . . . . A 3 SER H . 31076 1 8 . 1 . 1 3 3 SER HA H 1 4.739 0.002 . . . . . . A 3 SER HA . 31076 1 9 . 1 . 1 3 3 SER HB2 H 1 2.827 0.000 . . . . . . A 3 SER HB2 . 31076 1 10 . 1 . 1 4 4 LYS H H 1 8.552 0.000 . . . . . . A 4 LYS H . 31076 1 11 . 1 . 1 4 4 LYS HA H 1 4.346 0.001 . . . . . . A 4 LYS HA . 31076 1 12 . 1 . 1 4 4 LYS HB2 H 1 1.755 0.025 . . . . . . A 4 LYS HB2 . 31076 1 13 . 1 . 1 4 4 LYS HB3 H 1 1.841 0.003 . . . . . . A 4 LYS HB3 . 31076 1 14 . 1 . 1 4 4 LYS HG2 H 1 1.440 0.001 . . . . . . A 4 LYS HG2 . 31076 1 15 . 1 . 1 4 4 LYS HD2 H 1 1.666 0.005 . . . . . . A 4 LYS HD2 . 31076 1 16 . 1 . 1 4 4 LYS HE2 H 1 2.875 0.390 . . . . . . A 4 LYS HE2 . 31076 1 17 . 1 . 1 4 4 LYS HZ1 H 1 7.560 0.004 . . . . . . A 4 LYS HZ1 . 31076 1 18 . 1 . 1 4 4 LYS HZ2 H 1 7.560 0.004 . . . . . . A 4 LYS HZ2 . 31076 1 19 . 1 . 1 4 4 LYS HZ3 H 1 7.560 0.004 . . . . . . A 4 LYS HZ3 . 31076 1 20 . 1 . 1 5 5 ILE H H 1 8.212 0.000 . . . . . . A 5 ILE H . 31076 1 21 . 1 . 1 5 5 ILE HA H 1 4.128 0.001 . . . . . . A 5 ILE HA . 31076 1 22 . 1 . 1 5 5 ILE HB H 1 1.843 0.001 . . . . . . A 5 ILE HB . 31076 1 23 . 1 . 1 5 5 ILE HG12 H 1 1.184 0.001 . . . . . . A 5 ILE HG12 . 31076 1 24 . 1 . 1 5 5 ILE HG13 H 1 1.486 0.000 . . . . . . A 5 ILE HG13 . 31076 1 25 . 1 . 1 5 5 ILE HG21 H 1 0.900 0.000 . . . . . . A 5 ILE HG21 . 31076 1 26 . 1 . 1 5 5 ILE HG22 H 1 0.900 0.000 . . . . . . A 5 ILE HG22 . 31076 1 27 . 1 . 1 5 5 ILE HG23 H 1 0.900 0.000 . . . . . . A 5 ILE HG23 . 31076 1 28 . 1 . 1 5 5 ILE HD11 H 1 0.900 0.000 . . . . . . A 5 ILE HD11 . 31076 1 29 . 1 . 1 5 5 ILE HD12 H 1 0.900 0.000 . . . . . . A 5 ILE HD12 . 31076 1 30 . 1 . 1 5 5 ILE HD13 H 1 0.900 0.000 . . . . . . A 5 ILE HD13 . 31076 1 31 . 1 . 1 6 6 GLY H H 1 8.508 0.002 . . . . . . A 6 GLY H . 31076 1 32 . 1 . 1 6 6 GLY HA2 H 1 3.841 0.004 . . . . . . A 6 GLY HA2 . 31076 1 33 . 1 . 1 7 7 ASN H H 1 8.127 0.003 . . . . . . A 7 ASN H . 31076 1 34 . 1 . 1 7 7 ASN HA H 1 4.560 0.003 . . . . . . A 7 ASN HA . 31076 1 35 . 1 . 1 7 7 ASN HB2 H 1 2.697 0.002 . . . . . . A 7 ASN HB2 . 31076 1 36 . 1 . 1 7 7 ASN HB3 H 1 2.815 0.002 . . . . . . A 7 ASN HB3 . 31076 1 37 . 1 . 1 7 7 ASN HD21 H 1 6.974 0.005 . . . . . . A 7 ASN HD21 . 31076 1 38 . 1 . 1 7 7 ASN HD22 H 1 7.658 0.006 . . . . . . A 7 ASN HD22 . 31076 1 39 . 1 . 1 8 8 GLY H H 1 8.460 0.003 . . . . . . A 8 GLY H . 31076 1 40 . 1 . 1 8 8 GLY HA2 H 1 3.965 0.005 . . . . . . A 8 GLY HA2 . 31076 1 41 . 1 . 1 9 9 CYS H H 1 8.579 0.000 . . . . . . A 9 CYS H . 31076 1 42 . 1 . 1 9 9 CYS HA H 1 4.653 0.001 . . . . . . A 9 CYS HA . 31076 1 43 . 1 . 1 9 9 CYS HB2 H 1 2.836 0.003 . . . . . . A 9 CYS HB2 . 31076 1 44 . 1 . 1 9 9 CYS HB3 H 1 3.091 0.000 . . . . . . A 9 CYS HB3 . 31076 1 45 . 1 . 1 10 10 PHE H H 1 8.395 0.002 . . . . . . A 10 PHE H . 31076 1 46 . 1 . 1 10 10 PHE HA H 1 4.520 0.001 . . . . . . A 10 PHE HA . 31076 1 47 . 1 . 1 10 10 PHE HB2 H 1 3.034 0.010 . . . . . . A 10 PHE HB2 . 31076 1 48 . 1 . 1 10 10 PHE HB3 H 1 3.125 0.000 . . . . . . A 10 PHE HB3 . 31076 1 49 . 1 . 1 10 10 PHE HD1 H 1 7.228 0.003 . . . . . . A 10 PHE HD1 . 31076 1 50 . 1 . 1 11 11 GLY H H 1 8.388 0.001 . . . . . . A 11 GLY H . 31076 1 51 . 1 . 1 11 11 GLY HA2 H 1 3.628 0.001 . . . . . . A 11 GLY HA2 . 31076 1 52 . 1 . 1 12 12 PHE H H 1 7.982 0.002 . . . . . . A 12 PHE H . 31076 1 53 . 1 . 1 12 12 PHE HA H 1 4.850 0.002 . . . . . . A 12 PHE HA . 31076 1 54 . 1 . 1 12 12 PHE HB2 H 1 2.955 0.002 . . . . . . A 12 PHE HB2 . 31076 1 55 . 1 . 1 12 12 PHE HB3 H 1 3.139 0.001 . . . . . . A 12 PHE HB3 . 31076 1 56 . 1 . 1 12 12 PHE HD1 H 1 7.253 0.004 . . . . . . A 12 PHE HD1 . 31076 1 57 . 1 . 1 13 13 PRO HA H 1 4.434 0.003 . . . . . . A 13 PRO HA . 31076 1 58 . 1 . 1 13 13 PRO HB2 H 1 2.012 0.006 . . . . . . A 13 PRO HB2 . 31076 1 59 . 1 . 1 13 13 PRO HB3 H 1 2.296 0.003 . . . . . . A 13 PRO HB3 . 31076 1 60 . 1 . 1 13 13 PRO HD2 H 1 3.548 0.003 . . . . . . A 13 PRO HD2 . 31076 1 61 . 1 . 1 14 14 LEU H H 1 8.411 0.000 . . . . . . A 14 LEU H . 31076 1 62 . 1 . 1 14 14 LEU HA H 1 4.274 0.002 . . . . . . A 14 LEU HA . 31076 1 63 . 1 . 1 14 14 LEU HB2 H 1 1.674 0.002 . . . . . . A 14 LEU HB2 . 31076 1 64 . 1 . 1 14 14 LEU HD11 H 1 0.905 0.003 . . . . . . A 14 LEU HD11 . 31076 1 65 . 1 . 1 14 14 LEU HD12 H 1 0.905 0.003 . . . . . . A 14 LEU HD12 . 31076 1 66 . 1 . 1 14 14 LEU HD13 H 1 0.905 0.003 . . . . . . A 14 LEU HD13 . 31076 1 67 . 1 . 1 15 15 ASP H H 1 8.352 0.003 . . . . . . A 15 ASP H . 31076 1 68 . 1 . 1 15 15 ASP HA H 1 4.599 0.002 . . . . . . A 15 ASP HA . 31076 1 69 . 1 . 1 15 15 ASP HB3 H 1 2.795 0.000 . . . . . . A 15 ASP HB3 . 31076 1 70 . 1 . 1 16 16 ARG H H 1 8.144 0.001 . . . . . . A 16 ARG H . 31076 1 71 . 1 . 1 16 16 ARG HA H 1 4.352 0.000 . . . . . . A 16 ARG HA . 31076 1 72 . 1 . 1 16 16 ARG HB2 H 1 1.748 0.000 . . . . . . A 16 ARG HB2 . 31076 1 73 . 1 . 1 16 16 ARG HB3 H 1 1.866 0.005 . . . . . . A 16 ARG HB3 . 31076 1 74 . 1 . 1 16 16 ARG HG2 H 1 1.601 0.000 . . . . . . A 16 ARG HG2 . 31076 1 75 . 1 . 1 16 16 ARG HD2 H 1 3.155 0.003 . . . . . . A 16 ARG HD2 . 31076 1 76 . 1 . 1 16 16 ARG HH22 H 1 7.232 0.004 . . . . . . A 16 ARG HH22 . 31076 1 77 . 1 . 1 17 17 ILE H H 1 8.163 0.000 . . . . . . A 17 ILE H . 31076 1 78 . 1 . 1 17 17 ILE HA H 1 4.128 0.002 . . . . . . A 17 ILE HA . 31076 1 79 . 1 . 1 17 17 ILE HB H 1 1.894 0.002 . . . . . . A 17 ILE HB . 31076 1 80 . 1 . 1 17 17 ILE HG12 H 1 1.203 0.003 . . . . . . A 17 ILE HG12 . 31076 1 81 . 1 . 1 17 17 ILE HG21 H 1 0.911 0.002 . . . . . . A 17 ILE HG21 . 31076 1 82 . 1 . 1 17 17 ILE HG22 H 1 0.911 0.002 . . . . . . A 17 ILE HG22 . 31076 1 83 . 1 . 1 17 17 ILE HG23 H 1 0.911 0.002 . . . . . . A 17 ILE HG23 . 31076 1 84 . 1 . 1 18 18 GLY H H 1 8.607 0.002 . . . . . . A 18 GLY H . 31076 1 85 . 1 . 1 18 18 GLY HA2 H 1 3.914 0.004 . . . . . . A 18 GLY HA2 . 31076 1 86 . 1 . 1 18 18 GLY HA3 H 1 4.032 0.003 . . . . . . A 18 GLY HA3 . 31076 1 87 . 1 . 1 19 19 SER H H 1 8.222 0.002 . . . . . . A 19 SER H . 31076 1 88 . 1 . 1 19 19 SER HA H 1 4.494 0.004 . . . . . . A 19 SER HA . 31076 1 89 . 1 . 1 19 19 SER HB2 H 1 3.888 0.000 . . . . . . A 19 SER HB2 . 31076 1 90 . 1 . 1 20 20 VAL H H 1 8.293 0.000 . . . . . . A 20 VAL H . 31076 1 91 . 1 . 1 20 20 VAL HA H 1 4.214 0.000 . . . . . . A 20 VAL HA . 31076 1 92 . 1 . 1 20 20 VAL HB H 1 2.136 0.002 . . . . . . A 20 VAL HB . 31076 1 93 . 1 . 1 20 20 VAL HG11 H 1 0.929 0.002 . . . . . . A 20 VAL HG11 . 31076 1 94 . 1 . 1 20 20 VAL HG12 H 1 0.929 0.002 . . . . . . A 20 VAL HG12 . 31076 1 95 . 1 . 1 20 20 VAL HG13 H 1 0.929 0.002 . . . . . . A 20 VAL HG13 . 31076 1 96 . 1 . 1 21 21 SER H H 1 8.428 0.004 . . . . . . A 21 SER H . 31076 1 97 . 1 . 1 21 21 SER HA H 1 4.398 0.002 . . . . . . A 21 SER HA . 31076 1 98 . 1 . 1 21 21 SER HB2 H 1 3.864 0.002 . . . . . . A 21 SER HB2 . 31076 1 99 . 1 . 1 22 22 GLY H H 1 8.431 0.004 . . . . . . A 22 GLY H . 31076 1 100 . 1 . 1 22 22 GLY HA2 H 1 3.949 0.003 . . . . . . A 22 GLY HA2 . 31076 1 101 . 1 . 1 23 23 LEU H H 1 8.177 0.002 . . . . . . A 23 LEU H . 31076 1 102 . 1 . 1 23 23 LEU HA H 1 4.351 0.004 . . . . . . A 23 LEU HA . 31076 1 103 . 1 . 1 23 23 LEU HB2 H 1 1.604 0.002 . . . . . . A 23 LEU HB2 . 31076 1 104 . 1 . 1 23 23 LEU HD11 H 1 0.904 0.004 . . . . . . A 23 LEU HD11 . 31076 1 105 . 1 . 1 23 23 LEU HD12 H 1 0.904 0.004 . . . . . . A 23 LEU HD12 . 31076 1 106 . 1 . 1 23 23 LEU HD13 H 1 0.904 0.004 . . . . . . A 23 LEU HD13 . 31076 1 107 . 1 . 1 24 24 GLY H H 1 8.548 0.002 . . . . . . A 24 GLY H . 31076 1 108 . 1 . 1 24 24 GLY HA2 H 1 3.926 0.005 . . . . . . A 24 GLY HA2 . 31076 1 109 . 1 . 1 25 25 CYS H H 1 8.284 0.002 . . . . . . A 25 CYS H . 31076 1 110 . 1 . 1 25 25 CYS HA H 1 4.599 0.004 . . . . . . A 25 CYS HA . 31076 1 111 . 1 . 1 25 25 CYS HB2 H 1 2.848 0.003 . . . . . . A 25 CYS HB2 . 31076 1 112 . 1 . 1 25 25 CYS HB3 H 1 3.045 0.003 . . . . . . A 25 CYS HB3 . 31076 1 113 . 1 . 1 26 26 ASN H H 1 8.626 0.004 . . . . . . A 26 ASN H . 31076 1 114 . 1 . 1 26 26 ASN HA H 1 4.694 0.002 . . . . . . A 26 ASN HA . 31076 1 115 . 1 . 1 26 26 ASN HB2 H 1 2.758 0.000 . . . . . . A 26 ASN HB2 . 31076 1 116 . 1 . 1 26 26 ASN HB3 H 1 2.830 0.002 . . . . . . A 26 ASN HB3 . 31076 1 117 . 1 . 1 26 26 ASN HD21 H 1 6.983 0.003 . . . . . . A 26 ASN HD21 . 31076 1 118 . 1 . 1 26 26 ASN HD22 H 1 7.658 0.003 . . . . . . A 26 ASN HD22 . 31076 1 119 . 1 . 1 27 27 ARG H H 1 8.237 0.003 . . . . . . A 27 ARG H . 31076 1 120 . 1 . 1 27 27 ARG HA H 1 4.322 0.001 . . . . . . A 27 ARG HA . 31076 1 121 . 1 . 1 27 27 ARG HB2 H 1 1.732 0.000 . . . . . . A 27 ARG HB2 . 31076 1 122 . 1 . 1 27 27 ARG HB3 H 1 1.831 0.000 . . . . . . A 27 ARG HB3 . 31076 1 123 . 1 . 1 27 27 ARG HG2 H 1 1.579 0.004 . . . . . . A 27 ARG HG2 . 31076 1 124 . 1 . 1 27 27 ARG HD2 H 1 3.156 0.005 . . . . . . A 27 ARG HD2 . 31076 1 125 . 1 . 1 27 27 ARG HH22 H 1 7.220 0.005 . . . . . . A 27 ARG HH22 . 31076 1 126 . 1 . 1 28 28 ILE H H 1 8.213 0.001 . . . . . . A 28 ILE H . 31076 1 127 . 1 . 1 28 28 ILE HA H 1 4.183 0.006 . . . . . . A 28 ILE HA . 31076 1 128 . 1 . 1 28 28 ILE HB H 1 1.853 0.000 . . . . . . A 28 ILE HB . 31076 1 129 . 1 . 1 28 28 ILE HG12 H 1 1.185 0.000 . . . . . . A 28 ILE HG12 . 31076 1 130 . 1 . 1 28 28 ILE HG13 H 1 1.472 0.000 . . . . . . A 28 ILE HG13 . 31076 1 131 . 1 . 1 28 28 ILE HG21 H 1 0.893 0.012 . . . . . . A 28 ILE HG21 . 31076 1 132 . 1 . 1 28 28 ILE HG22 H 1 0.893 0.012 . . . . . . A 28 ILE HG22 . 31076 1 133 . 1 . 1 28 28 ILE HG23 H 1 0.893 0.012 . . . . . . A 28 ILE HG23 . 31076 1 134 . 1 . 1 29 29 MET H H 1 8.504 0.002 . . . . . . A 29 MET H . 31076 1 135 . 1 . 1 29 29 MET HA H 1 4.469 0.003 . . . . . . A 29 MET HA . 31076 1 136 . 1 . 1 29 29 MET HB2 H 1 1.978 0.000 . . . . . . A 29 MET HB2 . 31076 1 137 . 1 . 1 29 29 MET HG2 H 1 2.503 0.000 . . . . . . A 29 MET HG2 . 31076 1 138 . 1 . 1 29 29 MET HG3 H 1 2.563 0.003 . . . . . . A 29 MET HG3 . 31076 1 139 . 1 . 1 30 30 GLN H H 1 8.436 0.002 . . . . . . A 30 GLN H . 31076 1 140 . 1 . 1 30 30 GLN HA H 1 4.303 0.002 . . . . . . A 30 GLN HA . 31076 1 141 . 1 . 1 30 30 GLN HB2 H 1 1.947 0.002 . . . . . . A 30 GLN HB2 . 31076 1 142 . 1 . 1 30 30 GLN HB3 H 1 2.057 0.001 . . . . . . A 30 GLN HB3 . 31076 1 143 . 1 . 1 30 30 GLN HG2 H 1 2.347 0.002 . . . . . . A 30 GLN HG2 . 31076 1 144 . 1 . 1 30 30 GLN HE21 H 1 6.933 0.002 . . . . . . A 30 GLN HE21 . 31076 1 145 . 1 . 1 30 30 GLN HE22 H 1 7.593 0.002 . . . . . . A 30 GLN HE22 . 31076 1 146 . 1 . 1 31 31 ASN H H 1 8.622 0.003 . . . . . . A 31 ASN H . 31076 1 147 . 1 . 1 31 31 ASN HA H 1 4.978 0.000 . . . . . . A 31 ASN HA . 31076 1 148 . 1 . 1 31 31 ASN HB2 H 1 2.619 0.001 . . . . . . A 31 ASN HB2 . 31076 1 149 . 1 . 1 31 31 ASN HB3 H 1 2.760 0.005 . . . . . . A 31 ASN HB3 . 31076 1 150 . 1 . 1 31 31 ASN HD21 H 1 6.990 0.004 . . . . . . A 31 ASN HD21 . 31076 1 151 . 1 . 1 31 31 ASN HD22 H 1 7.680 0.006 . . . . . . A 31 ASN HD22 . 31076 1 152 . 1 . 1 32 32 PRO HA H 1 4.411 0.004 . . . . . . A 32 PRO HA . 31076 1 153 . 1 . 1 32 32 PRO HB2 H 1 2.023 0.004 . . . . . . A 32 PRO HB2 . 31076 1 154 . 1 . 1 32 32 PRO HB3 H 1 2.298 0.004 . . . . . . A 32 PRO HB3 . 31076 1 155 . 1 . 1 32 32 PRO HG2 H 1 1.891 0.000 . . . . . . A 32 PRO HG2 . 31076 1 156 . 1 . 1 32 32 PRO HD2 H 1 3.632 0.001 . . . . . . A 32 PRO HD2 . 31076 1 157 . 1 . 1 33 33 PRO HA H 1 4.421 0.002 . . . . . . A 33 PRO HA . 31076 1 158 . 1 . 1 33 33 PRO HB2 H 1 2.015 0.000 . . . . . . A 33 PRO HB2 . 31076 1 159 . 1 . 1 33 33 PRO HB3 H 1 2.293 0.000 . . . . . . A 33 PRO HB3 . 31076 1 160 . 1 . 1 33 33 PRO HG2 H 1 1.891 0.007 . . . . . . A 33 PRO HG2 . 31076 1 161 . 1 . 1 33 33 PRO HD2 H 1 3.803 0.002 . . . . . . A 33 PRO HD2 . 31076 1 162 . 1 . 1 34 34 LYS H H 1 8.463 0.001 . . . . . . A 34 LYS H . 31076 1 163 . 1 . 1 34 34 LYS HA H 1 4.220 0.008 . . . . . . A 34 LYS HA . 31076 1 164 . 1 . 1 34 34 LYS HB2 H 1 1.693 0.003 . . . . . . A 34 LYS HB2 . 31076 1 165 . 1 . 1 34 34 LYS HG2 H 1 1.403 0.014 . . . . . . A 34 LYS HG2 . 31076 1 166 . 1 . 1 34 34 LYS HE2 H 1 3.001 0.000 . . . . . . A 34 LYS HE2 . 31076 1 167 . 1 . 1 34 34 LYS HZ1 H 1 7.577 0.005 . . . . . . A 34 LYS HZ1 . 31076 1 168 . 1 . 1 34 34 LYS HZ2 H 1 7.577 0.005 . . . . . . A 34 LYS HZ2 . 31076 1 169 . 1 . 1 34 34 LYS HZ3 H 1 7.577 0.005 . . . . . . A 34 LYS HZ3 . 31076 1 170 . 1 . 1 35 35 LYS H H 1 8.422 0.002 . . . . . . A 35 LYS H . 31076 1 171 . 1 . 1 35 35 LYS HA H 1 4.256 0.001 . . . . . . A 35 LYS HA . 31076 1 172 . 1 . 1 35 35 LYS HB2 H 1 1.679 0.000 . . . . . . A 35 LYS HB2 . 31076 1 173 . 1 . 1 35 35 LYS HG2 H 1 1.357 0.000 . . . . . . A 35 LYS HG2 . 31076 1 174 . 1 . 1 35 35 LYS HE2 H 1 2.966 0.000 . . . . . . A 35 LYS HE2 . 31076 1 175 . 1 . 1 35 35 LYS HZ1 H 1 7.591 0.010 . . . . . . A 35 LYS HZ1 . 31076 1 176 . 1 . 1 35 35 LYS HZ2 H 1 7.591 0.010 . . . . . . A 35 LYS HZ2 . 31076 1 177 . 1 . 1 35 35 LYS HZ3 H 1 7.591 0.010 . . . . . . A 35 LYS HZ3 . 31076 1 178 . 1 . 1 36 36 PHE H H 1 8.476 0.002 . . . . . . A 36 PHE H . 31076 1 179 . 1 . 1 36 36 PHE HA H 1 4.654 0.002 . . . . . . A 36 PHE HA . 31076 1 180 . 1 . 1 36 36 PHE HB2 H 1 3.057 0.000 . . . . . . A 36 PHE HB2 . 31076 1 181 . 1 . 1 36 36 PHE HB3 H 1 3.140 0.004 . . . . . . A 36 PHE HB3 . 31076 1 182 . 1 . 1 36 36 PHE HE1 H 1 7.277 0.000 . . . . . . A 36 PHE HE1 . 31076 1 183 . 1 . 1 37 37 SER H H 1 8.523 0.002 . . . . . . A 37 SER H . 31076 1 184 . 1 . 1 37 37 SER HA H 1 4.421 0.000 . . . . . . A 37 SER HA . 31076 1 185 . 1 . 1 37 37 SER HB2 H 1 3.850 0.000 . . . . . . A 37 SER HB2 . 31076 1 186 . 1 . 1 38 38 GLY H H 1 8.024 0.004 . . . . . . A 38 GLY H . 31076 1 187 . 1 . 1 38 38 GLY HA2 H 1 3.864 0.001 . . . . . . A 38 GLY HA2 . 31076 1 188 . 1 . 1 38 38 GLY HA3 H 1 3.994 0.006 . . . . . . A 38 GLY HA3 . 31076 1 189 . 1 . 1 39 39 GLU H H 1 7.932 0.001 . . . . . . A 39 GLU H . 31076 1 190 . 1 . 1 39 39 GLU HA H 1 4.217 0.000 . . . . . . A 39 GLU HA . 31076 1 191 . 1 . 1 39 39 GLU HB2 H 1 1.892 0.002 . . . . . . A 39 GLU HB2 . 31076 1 192 . 1 . 1 39 39 GLU HB3 H 1 2.115 0.000 . . . . . . A 39 GLU HB3 . 31076 1 193 . 1 . 1 39 39 GLU HG3 H 1 2.367 0.001 . . . . . . A 39 GLU HG3 . 31076 1 stop_ save_