################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11008 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 2 '3D 1H-15N NOESY' . . . 11008 1 3 '2D 1H-1H NOESY' . . . 11008 1 4 '2D 1H-1H TOCSY' . . . 11008 1 5 '2D 1H-1H NOESY' . . . 11008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.288 0.000 . 1 . . . . 1 GLY HN . 11008 1 2 . 1 1 1 1 GLY HA2 H 1 3.691 0.000 . 1 . . . . 1 GLY HA1 . 11008 1 3 . 1 1 2 2 ALA H H 1 8.084 0.001 . 1 . . . . 2 ALA HN . 11008 1 4 . 1 1 2 2 ALA HA H 1 4.106 0.000 . 1 . . . . 2 ALA HA . 11008 1 5 . 1 1 2 2 ALA HB1 H 1 1.137 0.002 . 1 . . . . 2 ALA QB . 11008 1 6 . 1 1 2 2 ALA HB2 H 1 1.137 0.002 . 1 . . . . 2 ALA QB . 11008 1 7 . 1 1 2 2 ALA HB3 H 1 1.137 0.002 . 1 . . . . 2 ALA QB . 11008 1 8 . 1 1 3 3 THR H H 1 8.039 0.001 . 1 . . . . 3 THR HN . 11008 1 9 . 1 1 3 3 THR HA H 1 4.041 0.000 . 1 . . . . 3 THR HA . 11008 1 10 . 1 1 3 3 THR HB H 1 3.946 0.004 . 1 . . . . 3 THR HB . 11008 1 11 . 1 1 3 3 THR HG21 H 1 0.962 0.007 . 1 . . . . 3 THR QG2 . 11008 1 12 . 1 1 3 3 THR HG22 H 1 0.962 0.007 . 1 . . . . 3 THR QG2 . 11008 1 13 . 1 1 3 3 THR HG23 H 1 0.962 0.007 . 1 . . . . 3 THR QG2 . 11008 1 14 . 1 1 4 4 ALA H H 1 8.169 0.000 . 1 . . . . 4 ALA HN . 11008 1 15 . 1 1 4 4 ALA HA H 1 4.121 0.000 . 1 . . . . 4 ALA HA . 11008 1 16 . 1 1 4 4 ALA HB1 H 1 1.122 0.000 . 1 . . . . 4 ALA QB . 11008 1 17 . 1 1 4 4 ALA HB2 H 1 1.122 0.000 . 1 . . . . 4 ALA QB . 11008 1 18 . 1 1 4 4 ALA HB3 H 1 1.122 0.000 . 1 . . . . 4 ALA QB . 11008 1 19 . 1 1 5 5 VAL H H 1 8.041 0.001 . 1 . . . . 5 VAL HN . 11008 1 20 . 1 1 5 5 VAL HA H 1 3.849 0.000 . 1 . . . . 5 VAL HA . 11008 1 21 . 1 1 5 5 VAL HB H 1 1.807 0.004 . 1 . . . . 5 VAL HB . 11008 1 22 . 1 1 5 5 VAL HG11 H 1 0.684 0.005 . 1 . . . . 5 VAL QG1 . 11008 1 23 . 1 1 5 5 VAL HG12 H 1 0.684 0.005 . 1 . . . . 5 VAL QG1 . 11008 1 24 . 1 1 5 5 VAL HG13 H 1 0.684 0.005 . 1 . . . . 5 VAL QG1 . 11008 1 25 . 1 1 6 6 SER H H 1 8.230 0.006 . 1 . . . . 6 SER HN . 11008 1 26 . 1 1 6 6 SER HA H 1 4.250 0.007 . 1 . . . . 6 SER HA . 11008 1 27 . 1 1 6 6 SER HB2 H 1 3.768 0.005 . 1 . . . . 6 SER HB2 . 11008 1 28 . 1 1 6 6 SER HB3 H 1 3.653 0.002 . 1 . . . . 6 SER HB3 . 11008 1 29 . 1 1 7 7 GLU H H 1 8.637 0.001 . 1 . . . . 7 GLU HN . 11008 1 30 . 1 1 7 7 GLU HA H 1 3.939 0.000 . 1 . . . . 7 GLU HA . 11008 1 31 . 1 1 7 7 GLU HB2 H 1 1.652 0.000 . 1 . . . . 7 GLU HB2 . 11008 1 32 . 1 1 7 7 GLU HB3 H 1 1.572 0.008 . 1 . . . . 7 GLU HB3 . 11008 1 33 . 1 1 7 7 GLU HG2 H 1 1.753 0.000 . 2 . . . . 7 GLU HG2 . 11008 1 34 . 1 1 8 8 TRP H H 1 8.035 0.001 . 1 . . . . 8 TRP HN . 11008 1 35 . 1 1 8 8 TRP HA H 1 5.100 0.000 . 1 . . . . 8 TRP HA . 11008 1 36 . 1 1 8 8 TRP HB2 H 1 2.862 0.001 . 1 . . . . 8 TRP HB2 . 11008 1 37 . 1 1 8 8 TRP HB3 H 1 2.687 0.004 . 1 . . . . 8 TRP HB3 . 11008 1 38 . 1 1 8 8 TRP HD1 H 1 6.957 0.000 . 1 . . . . 8 TRP HD1 . 11008 1 39 . 1 1 8 8 TRP HE1 H 1 10.043 0.008 . 1 . . . . 8 TRP HE1 . 11008 1 40 . 1 1 8 8 TRP HE3 H 1 7.079 0.004 . 1 . . . . 8 TRP HE3 . 11008 1 41 . 1 1 8 8 TRP HZ2 H 1 7.268 0.000 . 1 . . . . 8 TRP HZ2 . 11008 1 42 . 1 1 8 8 TRP HZ3 H 1 6.720 0.004 . 1 . . . . 8 TRP HZ3 . 11008 1 43 . 1 1 8 8 TRP HH2 H 1 6.862 0.000 . 1 . . . . 8 TRP HH2 . 11008 1 44 . 1 1 9 9 THR H H 1 9.263 0.000 . 1 . . . . 9 THR HN . 11008 1 45 . 1 1 9 9 THR HA H 1 4.304 0.000 . 1 . . . . 9 THR HA . 11008 1 46 . 1 1 9 9 THR HB H 1 3.665 0.000 . 1 . . . . 9 THR HB . 11008 1 47 . 1 1 9 9 THR HG21 H 1 0.627 0.004 . 1 . . . . 9 THR QG2 . 11008 1 48 . 1 1 9 9 THR HG22 H 1 0.627 0.004 . 1 . . . . 9 THR QG2 . 11008 1 49 . 1 1 9 9 THR HG23 H 1 0.627 0.004 . 1 . . . . 9 THR QG2 . 11008 1 50 . 1 1 10 10 GLU H H 1 8.349 0.000 . 1 . . . . 10 GLU HN . 11008 1 51 . 1 1 10 10 GLU HA H 1 4.149 0.003 . 1 . . . . 10 GLU HA . 11008 1 52 . 1 1 10 10 GLU HB2 H 1 1.568 0.000 . 1 . . . . 10 GLU HB2 . 11008 1 53 . 1 1 10 10 GLU HG2 H 1 1.760 0.000 . 1 . . . . 10 GLU HG2 . 11008 1 54 . 1 1 10 10 GLU HG3 H 1 1.685 0.000 . 2 . . . . 10 GLU HG3 . 11008 1 55 . 1 1 11 11 TYR H H 1 8.402 0.004 . 1 . . . . 11 TYR HN . 11008 1 56 . 1 1 11 11 TYR HA H 1 4.327 0.004 . 1 . . . . 11 TYR HA . 11008 1 57 . 1 1 11 11 TYR HB2 H 1 2.270 0.005 . 1 . . . . 11 TYR HB2 . 11008 1 58 . 1 1 11 11 TYR HB3 H 1 0.938 0.006 . 1 . . . . 11 TYR HB3 . 11008 1 59 . 1 1 11 11 TYR HD1 H 1 6.585 0.000 . 3 . . . . 11 TYR QD . 11008 1 60 . 1 1 11 11 TYR HD2 H 1 6.585 0.000 . 3 . . . . 11 TYR QD . 11008 1 61 . 1 1 11 11 TYR HE1 H 1 6.325 0.000 . 3 . . . . 11 TYR QE . 11008 1 62 . 1 1 11 11 TYR HE2 H 1 6.325 0.000 . 3 . . . . 11 TYR QE . 11008 1 63 . 1 1 12 12 LYS H H 1 7.998 0.002 . 1 . . . . 12 LYS HN . 11008 1 64 . 1 1 12 12 LYS HA H 1 5.225 0.002 . 1 . . . . 12 LYS HA . 11008 1 65 . 1 1 12 12 LYS HB2 H 1 1.376 0.006 . 1 . . . . 12 LYS HB2 . 11008 1 66 . 1 1 12 12 LYS HB3 H 1 1.114 0.000 . 1 . . . . 12 LYS HB3 . 11008 1 67 . 1 1 12 12 LYS HG2 H 1 1.457 0.000 . 2 . . . . 12 LYS HG2 . 11008 1 68 . 1 1 12 12 LYS HD2 H 1 2.627 0.000 . 2 . . . . 12 LYS HD2 . 11008 1 69 . 1 1 13 13 THR H H 1 9.069 0.001 . 1 . . . . 13 THR HN . 11008 1 70 . 1 1 13 13 THR HA H 1 4.572 0.002 . 1 . . . . 13 THR HA . 11008 1 71 . 1 1 13 13 THR HB H 1 4.424 0.005 . 1 . . . . 13 THR HB . 11008 1 72 . 1 1 13 13 THR HG21 H 1 1.285 0.003 . 1 . . . . 13 THR QG2 . 11008 1 73 . 1 1 13 13 THR HG22 H 1 1.285 0.003 . 1 . . . . 13 THR QG2 . 11008 1 74 . 1 1 13 13 THR HG23 H 1 1.285 0.003 . 1 . . . . 13 THR QG2 . 11008 1 75 . 1 1 14 14 ALA H H 1 9.055 0.000 . 1 . . . . 14 ALA HN . 11008 1 76 . 1 1 14 14 ALA HA H 1 3.939 0.000 . 1 . . . . 14 ALA HA . 11008 1 77 . 1 1 14 14 ALA HB1 H 1 1.232 0.002 . 1 . . . . 14 ALA QB . 11008 1 78 . 1 1 14 14 ALA HB2 H 1 1.232 0.002 . 1 . . . . 14 ALA QB . 11008 1 79 . 1 1 14 14 ALA HB3 H 1 1.232 0.002 . 1 . . . . 14 ALA QB . 11008 1 80 . 1 1 15 15 ASP H H 1 7.838 0.001 . 1 . . . . 15 ASP HN . 11008 1 81 . 1 1 15 15 ASP HA H 1 4.421 0.001 . 1 . . . . 15 ASP HA . 11008 1 82 . 1 1 15 15 ASP HB2 H 1 2.582 0.001 . 1 . . . . 15 ASP HB2 . 11008 1 83 . 1 1 15 15 ASP HB3 H 1 2.412 0.002 . 1 . . . . 15 ASP HB3 . 11008 1 84 . 1 1 16 16 GLY H H 1 7.787 0.002 . 1 . . . . 16 GLY HN . 11008 1 85 . 1 1 16 16 GLY HA2 H 1 3.939 0.000 . 1 . . . . 16 GLY HA1 . 11008 1 86 . 1 1 16 16 GLY HA3 H 1 3.400 0.004 . 1 . . . . 16 GLY HA2 . 11008 1 87 . 1 1 17 17 LYS H H 1 7.706 0.008 . 1 . . . . 17 LYS HN . 11008 1 88 . 1 1 17 17 LYS HA H 1 4.315 0.000 . 1 . . . . 17 LYS HA . 11008 1 89 . 1 1 17 17 LYS HB2 H 1 1.752 0.000 . 1 . . . . 17 LYS HB2 . 11008 1 90 . 1 1 17 17 LYS HB3 H 1 1.098 0.009 . 1 . . . . 17 LYS HB3 . 11008 1 91 . 1 1 17 17 LYS HG2 H 1 1.263 0.000 . 2 . . . . 17 LYS HG2 . 11008 1 92 . 1 1 17 17 LYS HD2 H 1 2.454 0.000 . 2 . . . . 17 LYS HD2 . 11008 1 93 . 1 1 18 18 THR H H 1 8.546 0.000 . 1 . . . . 18 THR HN . 11008 1 94 . 1 1 18 18 THR HA H 1 4.747 0.000 . 1 . . . . 18 THR HA . 11008 1 95 . 1 1 18 18 THR HB H 1 3.670 0.005 . 1 . . . . 18 THR HB . 11008 1 96 . 1 1 18 18 THR HG21 H 1 0.630 0.005 . 1 . . . . 18 THR QG2 . 11008 1 97 . 1 1 18 18 THR HG22 H 1 0.630 0.005 . 1 . . . . 18 THR QG2 . 11008 1 98 . 1 1 18 18 THR HG23 H 1 0.630 0.005 . 1 . . . . 18 THR QG2 . 11008 1 99 . 1 1 19 19 TYR H H 1 8.522 0.004 . 1 . . . . 19 TYR HN . 11008 1 100 . 1 1 19 19 TYR HA H 1 4.451 0.002 . 1 . . . . 19 TYR HA . 11008 1 101 . 1 1 19 19 TYR HB2 H 1 2.067 0.003 . 1 . . . . 19 TYR HB2 . 11008 1 102 . 1 1 19 19 TYR HB3 H 1 1.994 0.004 . 1 . . . . 19 TYR HB3 . 11008 1 103 . 1 1 19 19 TYR HD1 H 1 6.499 0.001 . 3 . . . . 19 TYR QD . 11008 1 104 . 1 1 19 19 TYR HD2 H 1 6.499 0.001 . 3 . . . . 19 TYR QD . 11008 1 105 . 1 1 19 19 TYR HE1 H 1 6.120 0.002 . 3 . . . . 19 TYR QE . 11008 1 106 . 1 1 19 19 TYR HE2 H 1 6.120 0.002 . 3 . . . . 19 TYR QE . 11008 1 107 . 1 1 20 20 TYR H H 1 8.664 0.003 . 1 . . . . 20 TYR HN . 11008 1 108 . 1 1 20 20 TYR HA H 1 4.923 0.001 . 1 . . . . 20 TYR HA . 11008 1 109 . 1 1 20 20 TYR HB2 H 1 2.429 0.004 . 1 . . . . 20 TYR HB2 . 11008 1 110 . 1 1 20 20 TYR HD1 H 1 6.454 0.000 . 3 . . . . 20 TYR QD . 11008 1 111 . 1 1 20 20 TYR HD2 H 1 6.454 0.000 . 3 . . . . 20 TYR QD . 11008 1 112 . 1 1 20 20 TYR HE1 H 1 6.390 0.000 . 3 . . . . 20 TYR QE . 11008 1 113 . 1 1 20 20 TYR HE2 H 1 6.390 0.000 . 3 . . . . 20 TYR QE . 11008 1 114 . 1 1 21 21 TYR H H 1 9.178 0.005 . 1 . . . . 21 TYR HN . 11008 1 115 . 1 1 21 21 TYR HA H 1 5.382 0.000 . 1 . . . . 21 TYR HA . 11008 1 116 . 1 1 21 21 TYR HB2 H 1 2.702 0.000 . 2 . . . . 21 TYR HB2 . 11008 1 117 . 1 1 21 21 TYR HD1 H 1 6.770 0.000 . 3 . . . . 21 TYR QD . 11008 1 118 . 1 1 21 21 TYR HD2 H 1 6.770 0.000 . 3 . . . . 21 TYR QD . 11008 1 119 . 1 1 21 21 TYR HE1 H 1 6.425 0.115 . 3 . . . . 21 TYR QE . 11008 1 120 . 1 1 21 21 TYR HE2 H 1 6.425 0.115 . 3 . . . . 21 TYR QE . 11008 1 121 . 1 1 22 22 ASN H H 1 8.064 0.001 . 1 . . . . 22 ASN HN . 11008 1 122 . 1 1 22 22 ASN HA H 1 4.064 0.009 . 1 . . . . 22 ASN HA . 11008 1 123 . 1 1 22 22 ASN HB2 H 1 2.138 0.003 . 1 . . . . 22 ASN HB2 . 11008 1 124 . 1 1 22 22 ASN HB3 H 1 -0.014 0.000 . 1 . . . . 22 ASN HB3 . 11008 1 125 . 1 1 23 23 ASN H H 1 8.297 0.000 . 1 . . . . 23 ASN HN . 11008 1 126 . 1 1 23 23 ASN HA H 1 3.915 0.000 . 1 . . . . 23 ASN HA . 11008 1 127 . 1 1 23 23 ASN HB2 H 1 2.519 0.004 . 1 . . . . 23 ASN HB2 . 11008 1 128 . 1 1 23 23 ASN HB3 H 1 2.489 0.001 . 1 . . . . 23 ASN HB3 . 11008 1 129 . 1 1 23 23 ASN HD21 H 1 7.137 0.000 . 1 . . . . 23 ASN HD21 . 11008 1 130 . 1 1 23 23 ASN HD22 H 1 6.993 0.000 . 1 . . . . 23 ASN HD22 . 11008 1 131 . 1 1 24 24 ARG H H 1 8.349 0.002 . 1 . . . . 24 ARG HN . 11008 1 132 . 1 1 24 24 ARG HA H 1 4.049 0.002 . 1 . . . . 24 ARG HA . 11008 1 133 . 1 1 24 24 ARG HB2 H 1 1.677 0.000 . 1 . . . . 24 ARG HB2 . 11008 1 134 . 1 1 24 24 ARG HB3 H 1 1.370 0.005 . 1 . . . . 24 ARG HB3 . 11008 1 135 . 1 1 24 24 ARG HG2 H 1 1.204 0.001 . 1 . . . . 24 ARG HG2 . 11008 1 136 . 1 1 24 24 ARG HG3 H 1 1.003 0.002 . 1 . . . . 24 ARG HG3 . 11008 1 137 . 1 1 24 24 ARG HD2 H 1 3.000 0.003 . 1 . . . . 24 ARG HD2 . 11008 1 138 . 1 1 24 24 ARG HD3 H 1 2.738 0.001 . 1 . . . . 24 ARG HD3 . 11008 1 139 . 1 1 24 24 ARG HE H 1 7.786 0.000 . 1 . . . . 24 ARG HE . 11008 1 140 . 1 1 25 25 THR H H 1 7.768 0.000 . 1 . . . . 25 THR HN . 11008 1 141 . 1 1 25 25 THR HA H 1 3.743 0.002 . 1 . . . . 25 THR HA . 11008 1 142 . 1 1 25 25 THR HB H 1 3.948 0.001 . 1 . . . . 25 THR HB . 11008 1 143 . 1 1 25 25 THR HG21 H 1 0.679 0.004 . 1 . . . . 25 THR QG2 . 11008 1 144 . 1 1 25 25 THR HG22 H 1 0.679 0.004 . 1 . . . . 25 THR QG2 . 11008 1 145 . 1 1 25 25 THR HG23 H 1 0.679 0.004 . 1 . . . . 25 THR QG2 . 11008 1 146 . 1 1 26 26 LEU H H 1 7.646 0.000 . 1 . . . . 26 LEU HN . 11008 1 147 . 1 1 26 26 LEU HA H 1 3.526 0.006 . 1 . . . . 26 LEU HA . 11008 1 148 . 1 1 26 26 LEU HB2 H 1 1.856 0.000 . 1 . . . . 26 LEU HB2 . 11008 1 149 . 1 1 26 26 LEU HB3 H 1 1.472 0.000 . 1 . . . . 26 LEU HB3 . 11008 1 150 . 1 1 26 26 LEU HD11 H 1 0.609 0.000 . 1 . . . . 26 LEU QD1 . 11008 1 151 . 1 1 26 26 LEU HD12 H 1 0.609 0.000 . 1 . . . . 26 LEU QD1 . 11008 1 152 . 1 1 26 26 LEU HD13 H 1 0.609 0.000 . 1 . . . . 26 LEU QD1 . 11008 1 153 . 1 1 26 26 LEU HD21 H 1 0.516 0.000 . 1 . . . . 26 LEU QD2 . 11008 1 154 . 1 1 26 26 LEU HD22 H 1 0.516 0.000 . 1 . . . . 26 LEU QD2 . 11008 1 155 . 1 1 26 26 LEU HD23 H 1 0.516 0.000 . 1 . . . . 26 LEU QD2 . 11008 1 156 . 1 1 26 26 LEU HG H 1 1.034 0.000 . 1 . . . . 26 LEU HG . 11008 1 157 . 1 1 27 27 GLU H H 1 6.938 0.000 . 1 . . . . 27 GLU HN . 11008 1 158 . 1 1 27 27 GLU HA H 1 4.063 0.000 . 1 . . . . 27 GLU HA . 11008 1 159 . 1 1 27 27 GLU HB2 H 1 1.659 0.009 . 1 . . . . 27 GLU HB2 . 11008 1 160 . 1 1 27 27 GLU HB3 H 1 1.516 0.008 . 1 . . . . 27 GLU HB3 . 11008 1 161 . 1 1 27 27 GLU HG2 H 1 1.993 0.001 . 1 . . . . 27 GLU HG2 . 11008 1 162 . 1 1 27 27 GLU HG3 H 1 1.864 0.007 . 1 . . . . 27 GLU HG3 . 11008 1 163 . 1 1 28 28 SER H H 1 8.253 0.000 . 1 . . . . 28 SER HN . 11008 1 164 . 1 1 28 28 SER HA H 1 5.785 0.004 . 1 . . . . 28 SER HA . 11008 1 165 . 1 1 28 28 SER HB2 H 1 3.436 0.004 . 1 . . . . 28 SER HB2 . 11008 1 166 . 1 1 29 29 THR H H 1 9.167 0.003 . 1 . . . . 29 THR HN . 11008 1 167 . 1 1 29 29 THR HA H 1 4.569 0.000 . 1 . . . . 29 THR HA . 11008 1 168 . 1 1 29 29 THR HB H 1 4.031 0.005 . 1 . . . . 29 THR HB . 11008 1 169 . 1 1 29 29 THR HG21 H 1 0.944 0.000 . 1 . . . . 29 THR QG2 . 11008 1 170 . 1 1 29 29 THR HG22 H 1 0.944 0.000 . 1 . . . . 29 THR QG2 . 11008 1 171 . 1 1 29 29 THR HG23 H 1 0.944 0.000 . 1 . . . . 29 THR QG2 . 11008 1 172 . 1 1 30 30 TRP H H 1 8.285 0.003 . 1 . . . . 30 TRP HN . 11008 1 173 . 1 1 30 30 TRP HA H 1 4.751 0.004 . 1 . . . . 30 TRP HA . 11008 1 174 . 1 1 30 30 TRP HB2 H 1 3.384 0.006 . 1 . . . . 30 TRP HB2 . 11008 1 175 . 1 1 30 30 TRP HB3 H 1 2.932 0.004 . 1 . . . . 30 TRP HB3 . 11008 1 176 . 1 1 30 30 TRP HD1 H 1 7.136 0.004 . 1 . . . . 30 TRP HD1 . 11008 1 177 . 1 1 30 30 TRP HE1 H 1 9.889 0.006 . 1 . . . . 30 TRP HE1 . 11008 1 178 . 1 1 30 30 TRP HE3 H 1 7.821 0.000 . 1 . . . . 30 TRP HE3 . 11008 1 179 . 1 1 30 30 TRP HZ2 H 1 7.057 0.005 . 1 . . . . 30 TRP HZ2 . 11008 1 180 . 1 1 30 30 TRP HZ3 H 1 6.664 0.006 . 1 . . . . 30 TRP HZ3 . 11008 1 181 . 1 1 30 30 TRP HH2 H 1 6.799 0.006 . 1 . . . . 30 TRP HH2 . 11008 1 182 . 1 1 31 31 GLU H H 1 7.966 0.002 . 1 . . . . 31 GLU HN . 11008 1 183 . 1 1 31 31 GLU HA H 1 4.137 0.000 . 1 . . . . 31 GLU HA . 11008 1 184 . 1 1 31 31 GLU HB2 H 1 1.566 0.000 . 1 . . . . 31 GLU HB2 . 11008 1 185 . 1 1 31 31 GLU HB3 H 1 1.460 0.006 . 1 . . . . 31 GLU HB3 . 11008 1 186 . 1 1 31 31 GLU HG2 H 1 1.846 0.000 . 2 . . . . 31 GLU HG2 . 11008 1 187 . 1 1 32 32 LYS H H 1 8.209 0.000 . 1 . . . . 32 LYS HN . 11008 1 188 . 1 1 32 32 LYS HA H 1 2.410 0.000 . 1 . . . . 32 LYS HA . 11008 1 189 . 1 1 32 32 LYS HB2 H 1 1.109 0.000 . 1 . . . . 32 LYS HB2 . 11008 1 190 . 1 1 32 32 LYS HB3 H 1 0.796 0.000 . 1 . . . . 32 LYS HB3 . 11008 1 191 . 1 1 32 32 LYS HG2 H 1 0.289 0.000 . 2 . . . . 32 LYS HG2 . 11008 1 192 . 1 1 32 32 LYS HD2 H 1 2.445 0.002 . 2 . . . . 32 LYS HD2 . 11008 1 193 . 1 1 33 33 PRO HA H 1 3.650 0.000 . 1 . . . . 33 PRO HA . 11008 1 194 . 1 1 33 33 PRO HB2 H 1 1.111 0.000 . 1 . . . . 33 PRO HB2 . 11008 1 195 . 1 1 33 33 PRO HB3 H 1 0.790 0.000 . 1 . . . . 33 PRO HB3 . 11008 1 196 . 1 1 33 33 PRO HG2 H 1 -0.115 0.000 . 1 . . . . 33 PRO HG2 . 11008 1 197 . 1 1 33 33 PRO HG3 H 1 -0.193 0.000 . 1 . . . . 33 PRO HG3 . 11008 1 198 . 1 1 33 33 PRO HD2 H 1 2.406 0.000 . 1 . . . . 33 PRO HD2 . 11008 1 199 . 1 1 33 33 PRO HD3 H 1 1.860 0.006 . 1 . . . . 33 PRO HD3 . 11008 1 200 . 1 1 34 34 GLN H H 1 8.350 0.002 . 1 . . . . 34 GLN HN . 11008 1 201 . 1 1 34 34 GLN HA H 1 3.515 0.000 . 1 . . . . 34 GLN HA . 11008 1 202 . 1 1 34 34 GLN HB2 H 1 1.762 0.000 . 1 . . . . 34 GLN HB2 . 11008 1 203 . 1 1 34 34 GLN HB3 H 1 1.703 0.000 . 1 . . . . 34 GLN HB3 . 11008 1 204 . 1 1 34 34 GLN HG2 H 1 2.098 0.003 . 2 . . . . 34 GLN HG2 . 11008 1 205 . 1 1 34 34 GLN HE21 H 1 7.391 0.006 . 1 . . . . 34 GLN HE21 . 11008 1 206 . 1 1 34 34 GLN HE22 H 1 6.688 0.002 . 1 . . . . 34 GLN HE22 . 11008 1 207 . 1 1 35 35 GLU H H 1 8.897 0.006 . 1 . . . . 35 GLU HN . 11008 1 208 . 1 1 35 35 GLU HA H 1 3.892 0.000 . 1 . . . . 35 GLU HA . 11008 1 209 . 1 1 35 35 GLU HB2 H 1 1.791 0.000 . 1 . . . . 35 GLU HB2 . 11008 1 210 . 1 1 35 35 GLU HB3 H 1 1.737 0.000 . 1 . . . . 35 GLU HB3 . 11008 1 211 . 1 1 35 35 GLU HG2 H 1 2.047 0.003 . 2 . . . . 35 GLU HG2 . 11008 1 212 . 1 1 36 36 LEU H H 1 7.333 0.003 . 1 . . . . 36 LEU HN . 11008 1 213 . 1 1 36 36 LEU HA H 1 4.155 0.000 . 1 . . . . 36 LEU HA . 11008 1 214 . 1 1 36 36 LEU HB2 H 1 1.129 0.000 . 2 . . . . 36 LEU HB2 . 11008 1 215 . 1 1 36 36 LEU HB3 H 1 0.990 0.000 . 2 . . . . 36 LEU HB3 . 11008 1 216 . 1 1 36 36 LEU HD11 H 1 0.616 0.003 . 1 . . . . 36 LEU QD1 . 11008 1 217 . 1 1 36 36 LEU HD12 H 1 0.616 0.003 . 1 . . . . 36 LEU QD1 . 11008 1 218 . 1 1 36 36 LEU HD13 H 1 0.616 0.003 . 1 . . . . 36 LEU QD1 . 11008 1 219 . 1 1 36 36 LEU HD21 H 1 0.511 0.003 . 1 . . . . 36 LEU QD2 . 11008 1 220 . 1 1 36 36 LEU HD22 H 1 0.511 0.003 . 1 . . . . 36 LEU QD2 . 11008 1 221 . 1 1 36 36 LEU HD23 H 1 0.511 0.003 . 1 . . . . 36 LEU QD2 . 11008 1 222 . 1 1 36 36 LEU HG H 1 1.328 0.000 . 1 . . . . 36 LEU HG . 11008 1 223 . 1 1 37 37 LYS H H 1 7.407 0.000 . 1 . . . . 37 LYS HN . 11008 1 224 . 1 1 37 37 LYS HA H 1 3.691 0.003 . 1 . . . . 37 LYS HA . 11008 1 225 . 1 1 37 37 LYS HB2 H 1 1.545 0.000 . 1 . . . . 37 LYS HB2 . 11008 1 226 . 1 1 37 37 LYS HB3 H 1 1.449 0.000 . 1 . . . . 37 LYS HB3 . 11008 1 227 . 1 1 37 37 LYS HG2 H 1 1.120 0.000 . 2 . . . . 37 LYS HG2 . 11008 1 228 . 2 2 1 1 PRO HA H 1 4.691 0.000 . 1 . . . . 101 PRO HA . 11008 1 229 . 2 2 1 1 PRO HB3 H 1 1.942 0.000 . 1 . . . . 101 PRO HB3 . 11008 1 230 . 2 2 1 1 PRO HB2 H 1 2.000 0.000 . 1 . . . . 101 PRO HB2 . 11008 1 231 . 2 2 1 1 PRO HG2 H 1 2.311 0.000 . 2 . . . . 101 PRO HG2 . 11008 1 232 . 2 2 1 1 PRO HD2 H 1 3.590 0.000 . 2 . . . . 101 PRO HD2 . 11008 1 233 . 2 2 2 2 PRO HA H 1 4.322 0.000 . 1 . . . . 102 PRO HA . 11008 1 234 . 2 2 2 2 PRO HB2 H 1 1.750 0.000 . 2 . . . . 102 PRO HB2 . 11008 1 235 . 2 2 2 2 PRO HG2 H 1 2.201 0.000 . 2 . . . . 102 PRO HG2 . 11008 1 236 . 2 2 2 2 PRO HD2 H 1 3.55 0.000 . 2 . . . . 102 PRO HD2 . 11008 1 237 . 2 2 3 3 PRO HA H 1 4.462 0.000 . 1 . . . . 103 PRO HA . 11008 1 238 . 2 2 3 3 PRO HB2 H 1 2.100 0.000 . 1 . . . . 103 PRO HB2 . 11008 1 239 . 2 2 3 3 PRO HB3 H 1 1.888 0.000 . 1 . . . . 103 PRO HB3 . 11008 1 240 . 2 2 3 3 PRO HG2 H 1 2.290 0.000 . 1 . . . . 103 PRO HG2 . 11008 1 241 . 2 2 3 3 PRO HG3 H 1 2.203 0.000 . 1 . . . . 103 PRO HG3 . 11008 1 242 . 2 2 3 3 PRO HD2 H 1 3.683 0.000 . 1 . . . . 103 PRO HD2 . 11008 1 243 . 2 2 3 3 PRO HD3 H 1 3.392 0.000 . 1 . . . . 103 PRO HD3 . 11008 1 244 . 2 2 4 4 LEU H H 1 8.167 0.000 . 1 . . . . 104 LEU HN . 11008 1 245 . 2 2 4 4 LEU HA H 1 4.321 0.004 . 1 . . . . 104 LEU HA . 11008 1 246 . 2 2 4 4 LEU HB2 H 1 1.651 0.004 . 1 . . . . 104 LEU HB2 . 11008 1 247 . 2 2 4 4 LEU HD11 H 1 0.951 0.004 . 1 . . . . 104 LEU QD1 . 11008 1 248 . 2 2 4 4 LEU HD12 H 1 0.951 0.004 . 1 . . . . 104 LEU QD1 . 11008 1 249 . 2 2 4 4 LEU HD13 H 1 0.951 0.004 . 1 . . . . 104 LEU QD1 . 11008 1 250 . 2 2 4 4 LEU HD21 H 1 0.952 0.000 . 1 . . . . 104 LEU QD2 . 11008 1 251 . 2 2 4 4 LEU HD22 H 1 0.952 0.000 . 1 . . . . 104 LEU QD2 . 11008 1 252 . 2 2 4 4 LEU HD23 H 1 0.952 0.000 . 1 . . . . 104 LEU QD2 . 11008 1 253 . 2 2 4 4 LEU HG H 1 1.299 0.002 . 1 . . . . 104 LEU HG . 11008 1 254 . 2 2 5 5 ILE H H 1 7.998 0.000 . 1 . . . . 105 ILE HN . 11008 1 255 . 2 2 5 5 ILE HA H 1 4.462 0.000 . 1 . . . . 105 ILE HA . 11008 1 256 . 2 2 5 5 ILE HB H 1 1.777 0.010 . 1 . . . . 105 ILE HB . 11008 1 257 . 2 2 5 5 ILE HG21 H 1 0.757 0.002 . 1 . . . . 105 ILE QG2 . 11008 1 258 . 2 2 5 5 ILE HG22 H 1 0.757 0.002 . 1 . . . . 105 ILE QG2 . 11008 1 259 . 2 2 5 5 ILE HG23 H 1 0.757 0.002 . 1 . . . . 105 ILE QG2 . 11008 1 260 . 2 2 5 5 ILE HD11 H 1 0.601 0.003 . 1 . . . . 105 ILE QD1 . 11008 1 261 . 2 2 5 5 ILE HD12 H 1 0.601 0.003 . 1 . . . . 105 ILE QD1 . 11008 1 262 . 2 2 5 5 ILE HD13 H 1 0.601 0.003 . 1 . . . . 105 ILE QD1 . 11008 1 263 . 2 2 5 5 ILE HG12 H 1 1.480 0.003 . 2 . . . . 105 ILE HG12 . 11008 1 264 . 2 2 5 5 ILE HG13 H 1 1.230 0.005 . 2 . . . . 105 ILE HG13 . 11008 1 265 . 2 2 6 6 PRO HA H 1 4.635 0.000 . 1 . . . . 106 PRO HA . 11008 1 266 . 2 2 6 6 PRO HB2 H 1 1.735 0.000 . 2 . . . . 106 PRO HB2 . 11008 1 267 . 2 2 6 6 PRO HG2 H 1 1.850 0.000 . 2 . . . . 106 PRO HG2 . 11008 1 268 . 2 2 6 6 PRO HD2 H 1 3.742 0.006 . 1 . . . . 106 PRO HD2 . 11008 1 269 . 2 2 6 6 PRO HD3 H 1 3.444 0.010 . 1 . . . . 106 PRO HD3 . 11008 1 270 . 2 2 7 7 PRO HA H 1 4.648 0.001 . 1 . . . . 107 PRO HA . 11008 1 271 . 2 2 7 7 PRO HB2 H 1 1.981 0.000 . 1 . . . . 107 PRO HB2 . 11008 1 272 . 2 2 7 7 PRO HB3 H 1 1.910 0.000 . 1 . . . . 107 PRO HB3 . 11008 1 273 . 2 2 7 7 PRO HG2 H 1 2.261 0.000 . 2 . . . . 107 PRO HG2 . 11008 1 274 . 2 2 7 7 PRO HD2 H 1 3.838 0.008 . 1 . . . . 107 PRO HD2 . 11008 1 275 . 2 2 7 7 PRO HD3 H 1 3.641 0.000 . 1 . . . . 107 PRO HD3 . 11008 1 276 . 2 2 8 8 PRO HB2 H 1 2.031 0.000 . 2 . . . . 108 PRO HB2 . 11008 1 277 . 2 2 8 8 PRO HG2 H 1 1.748 0.000 . 1 . . . . 108 PRO HG2 . 11008 1 278 . 2 2 8 8 PRO HG3 H 1 1.688 0.008 . 1 . . . . 108 PRO HG3 . 11008 1 279 . 2 2 8 8 PRO HD2 H 1 3.571 0.000 . 1 . . . . 108 PRO HD2 . 11008 1 280 . 2 2 8 8 PRO HD3 H 1 3.323 0.000 . 1 . . . . 108 PRO HD3 . 11008 1 281 . 2 2 9 9 PRO HA H 1 4.308 0.026 . 1 . . . . 109 PRO HA . 11008 1 282 . 2 2 9 9 PRO HB2 H 1 1.822 0.000 . 2 . . . . 109 PRO HB2 . 11008 1 283 . 2 2 9 9 PRO HG2 H 1 2.100 0.000 . 2 . . . . 109 PRO HG2 . 11008 1 284 . 2 2 9 9 PRO HD2 H 1 3.324 0.000 . 2 . . . . 109 PRO HD2 . 11008 1 stop_ save_