################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6596 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _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 NOESY' 1 $sample_1 . 6596 1 2 '2D TOCSY' 1 $sample_1 . 6596 1 3 DQF-COSY 1 $sample_1 . 6596 1 4 E-COSY 1 $sample_1 . 6596 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 CYS H H 1 8.943 0.004 . 1 . . . . . . . . . 6596 1 2 . 1 1 1 1 CYS HA H 1 4.576 0.001 . 1 . . . . . . . . . 6596 1 3 . 1 1 1 1 CYS HB2 H 1 3.058 0.008 . 1 . . . . . . . . . 6596 1 4 . 1 1 1 1 CYS HB3 H 1 3.120 0.008 . 1 . . . . . . . . . 6596 1 5 . 1 1 2 2 GLY H H 1 8.488 0.002 . 1 . . . . . . . . . 6596 1 6 . 1 1 2 2 GLY HA2 H 1 3.786 0.004 . 1 . . . . . . . . . 6596 1 7 . 1 1 2 2 GLY HA3 H 1 3.454 0.003 . 1 . . . . . . . . . 6596 1 8 . 1 1 3 3 GLU H H 1 6.740 0.002 . 1 . . . . . . . . . 6596 1 9 . 1 1 3 3 GLU HA H 1 4.461 0.001 . 1 . . . . . . . . . 6596 1 10 . 1 1 3 3 GLU HB2 H 1 1.374 0.005 . 1 . . . . . . . . . 6596 1 11 . 1 1 3 3 GLU HB3 H 1 1.680 0.003 . 1 . . . . . . . . . 6596 1 12 . 1 1 3 3 GLU HG2 H 1 2.484 0.005 . 1 . . . . . . . . . 6596 1 13 . 1 1 3 3 GLU HG3 H 1 2.484 0.005 . 1 . . . . . . . . . 6596 1 14 . 1 1 4 4 SER H H 1 8.786 0.003 . 1 . . . . . . . . . 6596 1 15 . 1 1 4 4 SER HA H 1 4.527 0.006 . 1 . . . . . . . . . 6596 1 16 . 1 1 4 4 SER HB2 H 1 3.943 0.001 . 1 . . . . . . . . . 6596 1 17 . 1 1 4 4 SER HB3 H 1 3.842 0.007 . 1 . . . . . . . . . 6596 1 18 . 1 1 5 5 CYS H H 1 8.236 0.002 . 1 . . . . . . . . . 6596 1 19 . 1 1 5 5 CYS HA H 1 5.150 0.002 . 1 . . . . . . . . . 6596 1 20 . 1 1 5 5 CYS HB2 H 1 3.225 0.009 . 1 . . . . . . . . . 6596 1 21 . 1 1 5 5 CYS HB3 H 1 3.308 0.011 . 1 . . . . . . . . . 6596 1 22 . 1 1 6 6 ALA H H 1 7.928 0.002 . 1 . . . . . . . . . 6596 1 23 . 1 1 6 6 ALA HA H 1 3.961 0.002 . 1 . . . . . . . . . 6596 1 24 . 1 1 6 6 ALA HB1 H 1 1.428 0.002 . 1 . . . . . . . . . 6596 1 25 . 1 1 6 6 ALA HB2 H 1 1.428 0.002 . 1 . . . . . . . . . 6596 1 26 . 1 1 6 6 ALA HB3 H 1 1.428 0.002 . 1 . . . . . . . . . 6596 1 27 . 1 1 7 7 MET H H 1 8.357 0.001 . 1 . . . . . . . . . 6596 1 28 . 1 1 7 7 MET HA H 1 4.400 0.002 . 1 . . . . . . . . . 6596 1 29 . 1 1 7 7 MET HB2 H 1 2.235 0.007 . 1 . . . . . . . . . 6596 1 30 . 1 1 7 7 MET HB3 H 1 2.160 0.002 . 1 . . . . . . . . . 6596 1 31 . 1 1 7 7 MET HG2 H 1 2.817 0.004 . 1 . . . . . . . . . 6596 1 32 . 1 1 7 7 MET HG3 H 1 2.817 0.004 . 1 . . . . . . . . . 6596 1 33 . 1 1 8 8 ILE H H 1 7.773 0.003 . 1 . . . . . . . . . 6596 1 34 . 1 1 8 8 ILE HA H 1 4.291 0.002 . 1 . . . . . . . . . 6596 1 35 . 1 1 8 8 ILE HB H 1 1.820 0.003 . 1 . . . . . . . . . 6596 1 36 . 1 1 8 8 ILE HG12 H 1 1.050 0.003 . 1 . . . . . . . . . 6596 1 37 . 1 1 8 8 ILE HG13 H 1 1.417 0.002 . 1 . . . . . . . . . 6596 1 38 . 1 1 8 8 ILE HG21 H 1 0.864 0.002 . 1 . . . . . . . . . 6596 1 39 . 1 1 8 8 ILE HG22 H 1 0.864 0.002 . 1 . . . . . . . . . 6596 1 40 . 1 1 8 8 ILE HG23 H 1 0.864 0.002 . 1 . . . . . . . . . 6596 1 41 . 1 1 8 8 ILE HD11 H 1 0.788 0.005 . 1 . . . . . . . . . 6596 1 42 . 1 1 8 8 ILE HD12 H 1 0.788 0.005 . 1 . . . . . . . . . 6596 1 43 . 1 1 8 8 ILE HD13 H 1 0.788 0.005 . 1 . . . . . . . . . 6596 1 44 . 1 1 9 9 SER H H 1 8.235 0.003 . 1 . . . . . . . . . 6596 1 45 . 1 1 9 9 SER HA H 1 4.640 0.002 . 1 . . . . . . . . . 6596 1 46 . 1 1 9 9 SER HB2 H 1 3.814 0.006 . 1 . . . . . . . . . 6596 1 47 . 1 1 9 9 SER HB3 H 1 3.865 0.004 . 1 . . . . . . . . . 6596 1 48 . 1 1 10 10 PHE H H 1 7.829 0.003 . 1 . . . . . . . . . 6596 1 49 . 1 1 10 10 PHE HA H 1 4.403 0.005 . 1 . . . . . . . . . 6596 1 50 . 1 1 10 10 PHE HB2 H 1 2.447 0.008 . 1 . . . . . . . . . 6596 1 51 . 1 1 10 10 PHE HB3 H 1 2.857 0.005 . 1 . . . . . . . . . 6596 1 52 . 1 1 10 10 PHE HD1 H 1 6.802 0.003 . 1 . . . . . . . . . 6596 1 53 . 1 1 10 10 PHE HD2 H 1 6.802 0.003 . 1 . . . . . . . . . 6596 1 54 . 1 1 10 10 PHE HE1 H 1 6.610 0.001 . 1 . . . . . . . . . 6596 1 55 . 1 1 10 10 PHE HE2 H 1 6.610 0.001 . 1 . . . . . . . . . 6596 1 56 . 1 1 10 10 PHE HZ H 1 6.951 0.001 . 1 . . . . . . . . . 6596 1 57 . 1 1 11 11 CYS H H 1 7.482 0.004 . 1 . . . . . . . . . 6596 1 58 . 1 1 11 11 CYS HA H 1 4.489 0.003 . 1 . . . . . . . . . 6596 1 59 . 1 1 11 11 CYS HB2 H 1 2.337 0.010 . 1 . . . . . . . . . 6596 1 60 . 1 1 11 11 CYS HB3 H 1 2.735 0.003 . 1 . . . . . . . . . 6596 1 61 . 1 1 12 12 PHE H H 1 10.931 0.005 . 1 . . . . . . . . . 6596 1 62 . 1 1 12 12 PHE HA H 1 4.182 0.005 . 1 . . . . . . . . . 6596 1 63 . 1 1 12 12 PHE HB2 H 1 3.102 0.003 . 1 . . . . . . . . . 6596 1 64 . 1 1 12 12 PHE HB3 H 1 3.102 0.003 . 1 . . . . . . . . . 6596 1 65 . 1 1 12 12 PHE HD1 H 1 7.442 0.003 . 1 . . . . . . . . . 6596 1 66 . 1 1 12 12 PHE HD2 H 1 7.442 0.003 . 1 . . . . . . . . . 6596 1 67 . 1 1 12 12 PHE HE1 H 1 7.367 0.014 . 1 . . . . . . . . . 6596 1 68 . 1 1 12 12 PHE HE2 H 1 7.367 0.014 . 1 . . . . . . . . . 6596 1 69 . 1 1 12 12 PHE HZ H 1 7.265 0.003 . 1 . . . . . . . . . 6596 1 70 . 1 1 13 13 THR H H 1 9.174 0.001 . 1 . . . . . . . . . 6596 1 71 . 1 1 13 13 THR HA H 1 3.953 0.001 . 1 . . . . . . . . . 6596 1 72 . 1 1 13 13 THR HB H 1 4.536 0.000 . 1 . . . . . . . . . 6596 1 73 . 1 1 13 13 THR HG1 H 1 4.796 0.001 . 1 . . . . . . . . . 6596 1 74 . 1 1 13 13 THR HG21 H 1 1.271 0.004 . 1 . . . . . . . . . 6596 1 75 . 1 1 13 13 THR HG22 H 1 1.271 0.004 . 1 . . . . . . . . . 6596 1 76 . 1 1 13 13 THR HG23 H 1 1.271 0.004 . 1 . . . . . . . . . 6596 1 77 . 1 1 14 14 GLU H H 1 8.023 0.001 . 1 . . . . . . . . . 6596 1 78 . 1 1 14 14 GLU HA H 1 4.686 0.002 . 1 . . . . . . . . . 6596 1 79 . 1 1 14 14 GLU HB2 H 1 2.066 0.002 . 1 . . . . . . . . . 6596 1 80 . 1 1 14 14 GLU HB3 H 1 2.066 0.002 . 1 . . . . . . . . . 6596 1 81 . 1 1 14 14 GLU HG2 H 1 2.295 0.002 . 1 . . . . . . . . . 6596 1 82 . 1 1 14 14 GLU HG3 H 1 2.572 0.003 . 1 . . . . . . . . . 6596 1 83 . 1 1 15 15 VAL H H 1 7.220 0.002 . 1 . . . . . . . . . 6596 1 84 . 1 1 15 15 VAL HA H 1 3.971 0.004 . 1 . . . . . . . . . 6596 1 85 . 1 1 15 15 VAL HB H 1 2.188 0.002 . 1 . . . . . . . . . 6596 1 86 . 1 1 15 15 VAL HG11 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 87 . 1 1 15 15 VAL HG12 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 88 . 1 1 15 15 VAL HG13 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 89 . 1 1 15 15 VAL HG21 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 90 . 1 1 15 15 VAL HG22 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 91 . 1 1 15 15 VAL HG23 H 1 1.018 0.003 . 1 . . . . . . . . . 6596 1 92 . 1 1 16 16 ILE H H 1 7.185 0.003 . 1 . . . . . . . . . 6596 1 93 . 1 1 16 16 ILE HA H 1 4.518 0.002 . 1 . . . . . . . . . 6596 1 94 . 1 1 16 16 ILE HB H 1 2.187 0.003 . 1 . . . . . . . . . 6596 1 95 . 1 1 16 16 ILE HG12 H 1 1.561 0.006 . 1 . . . . . . . . . 6596 1 96 . 1 1 16 16 ILE HG13 H 1 1.561 0.006 . 1 . . . . . . . . . 6596 1 97 . 1 1 16 16 ILE HG21 H 1 0.974 0.005 . 1 . . . . . . . . . 6596 1 98 . 1 1 16 16 ILE HG22 H 1 0.974 0.005 . 1 . . . . . . . . . 6596 1 99 . 1 1 16 16 ILE HG23 H 1 0.974 0.005 . 1 . . . . . . . . . 6596 1 100 . 1 1 16 16 ILE HD11 H 1 0.855 0.003 . 1 . . . . . . . . . 6596 1 101 . 1 1 16 16 ILE HD12 H 1 0.855 0.003 . 1 . . . . . . . . . 6596 1 102 . 1 1 16 16 ILE HD13 H 1 0.855 0.003 . 1 . . . . . . . . . 6596 1 103 . 1 1 17 17 GLY H H 1 7.629 0.002 . 1 . . . . . . . . . 6596 1 104 . 1 1 17 17 GLY HA2 H 1 4.280 0.019 . 1 . . . . . . . . . 6596 1 105 . 1 1 17 17 GLY HA3 H 1 3.566 0.004 . 1 . . . . . . . . . 6596 1 106 . 1 1 18 18 CYS H H 1 7.498 0.003 . 1 . . . . . . . . . 6596 1 107 . 1 1 18 18 CYS HA H 1 4.691 0.002 . 1 . . . . . . . . . 6596 1 108 . 1 1 18 18 CYS HB2 H 1 3.278 0.002 . 1 . . . . . . . . . 6596 1 109 . 1 1 18 18 CYS HB3 H 1 2.189 0.002 . 1 . . . . . . . . . 6596 1 110 . 1 1 19 19 SER H H 1 9.004 0.002 . 1 . . . . . . . . . 6596 1 111 . 1 1 19 19 SER HA H 1 4.485 0.001 . 1 . . . . . . . . . 6596 1 112 . 1 1 19 19 SER HB2 H 1 3.699 0.007 . 1 . . . . . . . . . 6596 1 113 . 1 1 19 19 SER HB3 H 1 3.699 0.007 . 1 . . . . . . . . . 6596 1 114 . 1 1 20 20 CYS H H 1 8.608 0.005 . 1 . . . . . . . . . 6596 1 115 . 1 1 20 20 CYS HA H 1 4.415 0.006 . 1 . . . . . . . . . 6596 1 116 . 1 1 20 20 CYS HB2 H 1 2.710 0.004 . 1 . . . . . . . . . 6596 1 117 . 1 1 20 20 CYS HB3 H 1 2.880 0.003 . 1 . . . . . . . . . 6596 1 118 . 1 1 21 21 LYS H H 1 9.533 0.002 . 1 . . . . . . . . . 6596 1 119 . 1 1 21 21 LYS HA H 1 4.480 0.003 . 1 . . . . . . . . . 6596 1 120 . 1 1 21 21 LYS HB2 H 1 1.702 0.018 . 1 . . . . . . . . . 6596 1 121 . 1 1 21 21 LYS HB3 H 1 1.766 0.008 . 1 . . . . . . . . . 6596 1 122 . 1 1 21 21 LYS HG2 H 1 1.220 0.003 . 1 . . . . . . . . . 6596 1 123 . 1 1 21 21 LYS HG3 H 1 1.341 0.011 . 1 . . . . . . . . . 6596 1 124 . 1 1 21 21 LYS HD2 H 1 1.455 0.007 . 1 . . . . . . . . . 6596 1 125 . 1 1 21 21 LYS HD3 H 1 1.455 0.007 . 1 . . . . . . . . . 6596 1 126 . 1 1 21 21 LYS HE2 H 1 2.751 0.000 . 1 . . . . . . . . . 6596 1 127 . 1 1 21 21 LYS HE3 H 1 2.751 0.000 . 1 . . . . . . . . . 6596 1 128 . 1 1 22 22 ASN H H 1 9.043 0.002 . 1 . . . . . . . . . 6596 1 129 . 1 1 22 22 ASN HA H 1 4.204 0.004 . 1 . . . . . . . . . 6596 1 130 . 1 1 22 22 ASN HB2 H 1 2.885 0.107 . 1 . . . . . . . . . 6596 1 131 . 1 1 22 22 ASN HB3 H 1 2.671 0.005 . 1 . . . . . . . . . 6596 1 132 . 1 1 22 22 ASN HD21 H 1 6.731 0.000 . 1 . . . . . . . . . 6596 1 133 . 1 1 22 22 ASN HD22 H 1 7.344 0.002 . 1 . . . . . . . . . 6596 1 134 . 1 1 23 23 LYS H H 1 8.118 0.003 . 1 . . . . . . . . . 6596 1 135 . 1 1 23 23 LYS HA H 1 3.392 0.001 . 1 . . . . . . . . . 6596 1 136 . 1 1 23 23 LYS HB2 H 1 1.760 0.006 . 1 . . . . . . . . . 6596 1 137 . 1 1 23 23 LYS HB3 H 1 2.252 0.003 . 1 . . . . . . . . . 6596 1 138 . 1 1 23 23 LYS HG2 H 1 1.255 0.009 . 1 . . . . . . . . . 6596 1 139 . 1 1 23 23 LYS HG3 H 1 1.255 0.009 . 1 . . . . . . . . . 6596 1 140 . 1 1 23 23 LYS HD2 H 1 1.604 0.005 . 1 . . . . . . . . . 6596 1 141 . 1 1 23 23 LYS HD3 H 1 1.604 0.005 . 1 . . . . . . . . . 6596 1 142 . 1 1 23 23 LYS HE2 H 1 2.941 0.004 . 1 . . . . . . . . . 6596 1 143 . 1 1 23 23 LYS HE3 H 1 2.941 0.004 . 1 . . . . . . . . . 6596 1 144 . 1 1 24 24 VAL H H 1 7.935 0.003 . 1 . . . . . . . . . 6596 1 145 . 1 1 24 24 VAL HA H 1 4.164 0.006 . 1 . . . . . . . . . 6596 1 146 . 1 1 24 24 VAL HB H 1 1.884 0.002 . 1 . . . . . . . . . 6596 1 147 . 1 1 24 24 VAL HG11 H 1 0.865 0.003 . 1 . . . . . . . . . 6596 1 148 . 1 1 24 24 VAL HG12 H 1 0.865 0.003 . 1 . . . . . . . . . 6596 1 149 . 1 1 24 24 VAL HG13 H 1 0.865 0.003 . 1 . . . . . . . . . 6596 1 150 . 1 1 24 24 VAL HG21 H 1 0.412 0.001 . 1 . . . . . . . . . 6596 1 151 . 1 1 24 24 VAL HG22 H 1 0.412 0.001 . 1 . . . . . . . . . 6596 1 152 . 1 1 24 24 VAL HG23 H 1 0.412 0.001 . 1 . . . . . . . . . 6596 1 153 . 1 1 25 25 CYS H H 1 7.890 0.001 . 1 . . . . . . . . . 6596 1 154 . 1 1 25 25 CYS HA H 1 4.710 0.009 . 1 . . . . . . . . . 6596 1 155 . 1 1 25 25 CYS HB2 H 1 2.441 0.005 . 1 . . . . . . . . . 6596 1 156 . 1 1 25 25 CYS HB3 H 1 2.913 0.007 . 1 . . . . . . . . . 6596 1 157 . 1 1 26 26 TYR H H 1 9.264 0.002 . 1 . . . . . . . . . 6596 1 158 . 1 1 26 26 TYR HA H 1 5.071 0.001 . 1 . . . . . . . . . 6596 1 159 . 1 1 26 26 TYR HB2 H 1 2.609 0.005 . 1 . . . . . . . . . 6596 1 160 . 1 1 26 26 TYR HB3 H 1 2.842 0.004 . 1 . . . . . . . . . 6596 1 161 . 1 1 26 26 TYR HD1 H 1 6.842 0.001 . 1 . . . . . . . . . 6596 1 162 . 1 1 26 26 TYR HD2 H 1 6.842 0.001 . 1 . . . . . . . . . 6596 1 163 . 1 1 26 26 TYR HE1 H 1 6.777 0.003 . 1 . . . . . . . . . 6596 1 164 . 1 1 26 26 TYR HE2 H 1 6.777 0.003 . 1 . . . . . . . . . 6596 1 165 . 1 1 27 27 LEU H H 1 9.113 0.002 . 1 . . . . . . . . . 6596 1 166 . 1 1 27 27 LEU HA H 1 4.505 0.004 . 1 . . . . . . . . . 6596 1 167 . 1 1 27 27 LEU HB2 H 1 1.735 0.002 . 1 . . . . . . . . . 6596 1 168 . 1 1 27 27 LEU HB3 H 1 1.473 0.009 . 1 . . . . . . . . . 6596 1 169 . 1 1 27 27 LEU HG H 1 1.412 0.000 . 1 . . . . . . . . . 6596 1 170 . 1 1 27 27 LEU HD11 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 171 . 1 1 27 27 LEU HD12 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 172 . 1 1 27 27 LEU HD13 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 173 . 1 1 27 27 LEU HD21 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 174 . 1 1 27 27 LEU HD22 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 175 . 1 1 27 27 LEU HD23 H 1 0.818 0.003 . 1 . . . . . . . . . 6596 1 176 . 1 1 28 28 ASN H H 1 9.251 0.006 . 1 . . . . . . . . . 6596 1 177 . 1 1 28 28 ASN HA H 1 4.105 0.006 . 1 . . . . . . . . . 6596 1 178 . 1 1 28 28 ASN HB2 H 1 2.969 0.012 . 1 . . . . . . . . . 6596 1 179 . 1 1 28 28 ASN HB3 H 1 2.905 0.015 . 1 . . . . . . . . . 6596 1 180 . 1 1 28 28 ASN HD21 H 1 6.864 0.002 . 1 . . . . . . . . . 6596 1 181 . 1 1 28 28 ASN HD22 H 1 7.439 0.005 . 1 . . . . . . . . . 6596 1 182 . 1 1 29 29 SER H H 1 8.141 0.003 . 1 . . . . . . . . . 6596 1 183 . 1 1 29 29 SER HA H 1 4.056 0.001 . 1 . . . . . . . . . 6596 1 184 . 1 1 29 29 SER HB2 H 1 3.994 0.004 . 1 . . . . . . . . . 6596 1 185 . 1 1 29 29 SER HB3 H 1 3.822 0.003 . 1 . . . . . . . . . 6596 1 186 . 1 1 30 30 ILE H H 1 8.191 0.003 . 1 . . . . . . . . . 6596 1 187 . 1 1 30 30 ILE HA H 1 4.243 0.007 . 1 . . . . . . . . . 6596 1 188 . 1 1 30 30 ILE HB H 1 2.052 0.002 . 1 . . . . . . . . . 6596 1 189 . 1 1 30 30 ILE HG12 H 1 1.174 0.004 . 1 . . . . . . . . . 6596 1 190 . 1 1 30 30 ILE HG13 H 1 1.544 0.003 . 1 . . . . . . . . . 6596 1 191 . 1 1 30 30 ILE HG21 H 1 0.907 0.002 . 1 . . . . . . . . . 6596 1 192 . 1 1 30 30 ILE HG22 H 1 0.907 0.002 . 1 . . . . . . . . . 6596 1 193 . 1 1 30 30 ILE HG23 H 1 0.907 0.002 . 1 . . . . . . . . . 6596 1 194 . 1 1 30 30 ILE HD11 H 1 0.814 0.002 . 1 . . . . . . . . . 6596 1 195 . 1 1 30 30 ILE HD12 H 1 0.814 0.002 . 1 . . . . . . . . . 6596 1 196 . 1 1 30 30 ILE HD13 H 1 0.814 0.002 . 1 . . . . . . . . . 6596 1 197 . 1 1 31 31 SER H H 1 8.619 0.004 . 1 . . . . . . . . . 6596 1 198 . 1 1 31 31 SER HA H 1 3.683 0.006 . 1 . . . . . . . . . 6596 1 199 . 1 1 31 31 SER HB2 H 1 3.630 0.012 . 1 . . . . . . . . . 6596 1 200 . 1 1 31 31 SER HB3 H 1 3.630 0.012 . 1 . . . . . . . . . 6596 1 stop_ save_