################################### # 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 17545 _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 1 '2D 1H-1H NOESY' . . . 17545 1 2 '2D 1H-1H TOCSY' . . . 17545 1 5 '2D 1H-15N HSQC' . . . 17545 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 LYS HA H 1 4.047 0.003 . 1 . . . A 10 LYS HA . 17545 1 2 . 1 1 1 1 LYS HB2 H 1 1.596 0.000 . 2 . . . A 10 LYS HB2 . 17545 1 3 . 1 1 1 1 LYS HB3 H 1 1.544 0.000 . 2 . . . A 10 LYS HB3 . 17545 1 4 . 1 1 1 1 LYS HG2 H 1 1.479 0.000 . 1 . . . A 10 LYS HG2 . 17545 1 5 . 1 1 1 1 LYS HD2 H 1 1.241 0.001 . 1 . . . A 10 LYS HD2 . 17545 1 6 . 1 1 1 1 LYS HE2 H 1 2.784 0.000 . 2 . . . A 10 LYS HE2 . 17545 1 7 . 1 1 1 1 LYS H H 1 8.135 0.000 . 1 . . . A 10 LYS HN . 17545 1 8 . 1 1 1 1 LYS CA C 13 53.800 0.000 . 1 . . . A 10 LYS CA . 17545 1 9 . 1 1 1 1 LYS CB C 13 30.093 0.001 . 1 . . . A 10 LYS CB . 17545 1 10 . 1 1 1 1 LYS N N 15 123.823 0.000 . 1 . . . A 10 LYS N . 17545 1 11 . 1 1 2 2 LEU HA H 1 4.382 0.000 . 1 . . . A 11 LEU HA . 17545 1 12 . 1 1 2 2 LEU HB2 H 1 1.635 0.000 . 2 . . . A 11 LEU HB2 . 17545 1 13 . 1 1 2 2 LEU HB3 H 1 1.565 0.007 . 2 . . . A 11 LEU HB3 . 17545 1 14 . 1 1 2 2 LEU HG H 1 1.178 0.000 . 1 . . . A 11 LEU HG . 17545 1 15 . 1 1 2 2 LEU H H 1 8.436 0.005 . 1 . . . A 11 LEU HN . 17545 1 16 . 1 1 2 2 LEU CA C 13 50.169 0.003 . 1 . . . A 11 LEU CA . 17545 1 17 . 1 1 2 2 LEU CB C 13 39.677 0.001 . 1 . . . A 11 LEU CB . 17545 1 18 . 1 1 2 2 LEU N N 15 125.188 0.000 . 1 . . . A 11 LEU N . 17545 1 19 . 1 1 2 2 LEU HD11 H 1 0.856 0.000 . 1 . . . A 11 LEU QD1 . 17545 1 20 . 1 1 2 2 LEU HD12 H 1 0.856 0.000 . 1 . . . A 11 LEU QD1 . 17545 1 21 . 1 1 2 2 LEU HD13 H 1 0.856 0.000 . 1 . . . A 11 LEU QD1 . 17545 1 22 . 1 1 2 2 LEU HD21 H 1 0.549 0.004 . 1 . . . A 11 LEU QD2 . 17545 1 23 . 1 1 2 2 LEU HD22 H 1 0.549 0.004 . 1 . . . A 11 LEU QD2 . 17545 1 24 . 1 1 2 2 LEU HD23 H 1 0.549 0.004 . 1 . . . A 11 LEU QD2 . 17545 1 25 . 1 1 3 3 PRO HA H 1 4.605 0.000 . 1 . . . A 12 PRO HA . 17545 1 26 . 1 1 3 3 PRO HB2 H 1 2.361 0.000 . 1 . . . A 12 PRO HB2 . 17545 1 27 . 1 1 3 3 PRO HB3 H 1 1.768 0.000 . 2 . . . A 12 PRO HB3 . 17545 1 28 . 1 1 3 3 PRO HG2 H 1 1.544 0.000 . 2 . . . A 12 PRO HG2 . 17545 1 29 . 1 1 3 3 PRO HG3 H 1 1.395 0.000 . 2 . . . A 12 PRO HG3 . 17545 1 30 . 1 1 3 3 PRO HD2 H 1 3.457 0.000 . 2 . . . A 12 PRO HD2 . 17545 1 31 . 1 1 3 3 PRO HD3 H 1 2.766 0.000 . 2 . . . A 12 PRO HD3 . 17545 1 32 . 1 1 4 4 PRO HA H 1 4.123 0.000 . 1 . . . A 13 PRO HA . 17545 1 33 . 1 1 4 4 PRO HB2 H 1 2.135 0.000 . 2 . . . A 13 PRO HB2 . 17545 1 34 . 1 1 4 4 PRO HB3 H 1 1.942 0.000 . 2 . . . A 13 PRO HB3 . 17545 1 35 . 1 1 4 4 PRO HG2 H 1 1.814 0.003 . 2 . . . A 13 PRO HG2 . 17545 1 36 . 1 1 4 4 PRO HG3 H 1 1.636 0.004 . 2 . . . A 13 PRO HG3 . 17545 1 37 . 1 1 4 4 PRO HD2 H 1 3.701 0.000 . 2 . . . A 13 PRO HD2 . 17545 1 38 . 1 1 4 4 PRO HD3 H 1 3.405 0.000 . 2 . . . A 13 PRO HD3 . 17545 1 39 . 1 1 4 4 PRO CA C 13 62.005 0.000 . 1 . . . A 13 PRO CA . 17545 1 40 . 1 1 4 4 PRO CB C 13 29.185 0.000 . 1 . . . A 13 PRO CB . 17545 1 41 . 1 1 5 5 GLY HA2 H 1 3.778 0.000 . 2 . . . A 14 GLY HA1 . 17545 1 42 . 1 1 5 5 GLY HA3 H 1 3.004 0.000 . 2 . . . A 14 GLY HA2 . 17545 1 43 . 1 1 5 5 GLY H H 1 8.578 0.000 . 1 . . . A 14 GLY HN . 17545 1 44 . 1 1 5 5 GLY CA C 13 42.440 0.000 . 1 . . . A 14 GLY CA . 17545 1 45 . 1 1 5 5 GLY N N 15 111.886 0.000 . 1 . . . A 14 GLY N . 17545 1 46 . 1 1 6 6 TRP HA H 1 5.027 0.000 . 1 . . . A 15 TRP HA . 17545 1 47 . 1 1 6 6 TRP HB2 H 1 3.016 0.199 . 1 . . . A 15 TRP HB2 . 17545 1 48 . 1 1 6 6 TRP HB3 H 1 2.749 0.000 . 1 . . . A 15 TRP HB3 . 17545 1 49 . 1 1 6 6 TRP HD1 H 1 6.728 0.000 . 1 . . . A 15 TRP HD1 . 17545 1 50 . 1 1 6 6 TRP HE1 H 1 10.369 0.000 . 1 . . . A 15 TRP HE1 . 17545 1 51 . 1 1 6 6 TRP HE3 H 1 6.785 0.000 . 1 . . . A 15 TRP HE3 . 17545 1 52 . 1 1 6 6 TRP HZ2 H 1 7.171 0.001 . 1 . . . A 15 TRP HZ2 . 17545 1 53 . 1 1 6 6 TRP HZ3 H 1 6.705 0.000 . 1 . . . A 15 TRP HZ3 . 17545 1 54 . 1 1 6 6 TRP HH2 H 1 7.222 0.000 . 1 . . . A 15 TRP HH2 . 17545 1 55 . 1 1 6 6 TRP H H 1 7.175 0.000 . 1 . . . A 15 TRP HN . 17545 1 56 . 1 1 6 6 TRP CA C 13 54.775 0.000 . 1 . . . A 15 TRP CA . 17545 1 57 . 1 1 6 6 TRP CB C 13 29.891 0.000 . 1 . . . A 15 TRP CB . 17545 1 58 . 1 1 6 6 TRP N N 15 117.296 0.003 . 1 . . . A 15 TRP N . 17545 1 59 . 1 1 6 6 TRP NE1 N 15 129.427 0.000 . 1 . . . A 15 TRP NE1 . 17545 1 60 . 1 1 7 7 GLU HA H 1 4.620 0.000 . 1 . . . A 16 GLU HA . 17545 1 61 . 1 1 7 7 GLU HB2 H 1 2.036 0.000 . 2 . . . A 16 GLU HB2 . 17545 1 62 . 1 1 7 7 GLU HB3 H 1 1.958 0.000 . 2 . . . A 16 GLU HB3 . 17545 1 63 . 1 1 7 7 GLU HG2 H 1 2.310 0.003 . 2 . . . A 16 GLU HG2 . 17545 1 64 . 1 1 7 7 GLU HG3 H 1 2.292 0.001 . 2 . . . A 16 GLU HG3 . 17545 1 65 . 1 1 7 7 GLU H H 1 9.610 0.000 . 1 . . . A 16 GLU HN . 17545 1 66 . 1 1 7 7 GLU CA C 13 52.018 0.000 . 1 . . . A 16 GLU CA . 17545 1 67 . 1 1 7 7 GLU CB C 13 31.943 0.002 . 1 . . . A 16 GLU CB . 17545 1 68 . 1 1 7 7 GLU N N 15 120.870 0.000 . 1 . . . A 16 GLU N . 17545 1 69 . 1 1 8 8 LYS HA H 1 4.266 0.000 . 1 . . . A 17 LYS HA . 17545 1 70 . 1 1 8 8 LYS HB2 H 1 1.498 0.000 . 1 . . . A 17 LYS HB2 . 17545 1 71 . 1 1 8 8 LYS HB3 H 1 1.398 0.000 . 1 . . . A 17 LYS HB3 . 17545 1 72 . 1 1 8 8 LYS HG2 H 1 0.846 0.000 . 2 . . . A 17 LYS HG2 . 17545 1 73 . 1 1 8 8 LYS HD2 H 1 0.905 0.017 . 2 . . . A 17 LYS HD2 . 17545 1 74 . 1 1 8 8 LYS HE2 H 1 2.746 0.000 . 1 . . . A 17 LYS HE2 . 17545 1 75 . 1 1 8 8 LYS H H 1 8.667 0.000 . 1 . . . A 17 LYS HN . 17545 1 76 . 1 1 8 8 LYS CA C 13 53.565 0.000 . 1 . . . A 17 LYS CA . 17545 1 77 . 1 1 8 8 LYS CB C 13 30.934 0.000 . 1 . . . A 17 LYS CB . 17545 1 78 . 1 1 8 8 LYS N N 15 124.642 0.000 . 1 . . . A 17 LYS N . 17545 1 79 . 1 1 9 9 ARG HA H 1 4.110 0.000 . 1 . . . A 18 ARG HA . 17545 1 80 . 1 1 9 9 ARG HB2 H 1 0.873 0.006 . 2 . . . A 18 ARG HB2 . 17545 1 81 . 1 1 9 9 ARG HB3 H 1 -0.239 0.000 . 1 . . . A 18 ARG HB3 . 17545 1 82 . 1 1 9 9 ARG HG2 H 1 0.961 0.005 . 1 . . . A 18 ARG HG2 . 17545 1 83 . 1 1 9 9 ARG HG3 H 1 1.073 0.000 . 1 . . . A 18 ARG HG3 . 17545 1 84 . 1 1 9 9 ARG HD2 H 1 2.679 0.000 . 2 . . . A 18 ARG HD2 . 17545 1 85 . 1 1 9 9 ARG HD3 H 1 2.532 0.000 . 2 . . . A 18 ARG HD3 . 17545 1 86 . 1 1 9 9 ARG HE H 1 6.612 0.000 . 1 . . . A 18 ARG HE . 17545 1 87 . 1 1 9 9 ARG HH21 H 1 6.213 0.000 . 2 . . . A 18 ARG HH21 . 17545 1 88 . 1 1 9 9 ARG H H 1 8.602 0.000 . 1 . . . A 18 ARG HN . 17545 1 89 . 1 1 9 9 ARG CA C 13 51.379 0.000 . 1 . . . A 18 ARG CA . 17545 1 90 . 1 1 9 9 ARG CB C 13 31.068 0.002 . 1 . . . A 18 ARG CB . 17545 1 91 . 1 1 9 9 ARG N N 15 126.206 0.000 . 1 . . . A 18 ARG N . 17545 1 92 . 1 1 9 9 ARG NE N 15 112.604 0.000 . 1 . . . A 18 ARG NE . 17545 1 93 . 1 1 10 10 MET HA H 1 4.697 0.000 . 1 . . . A 19 MET HA . 17545 1 94 . 1 1 10 10 MET HB2 H 1 1.578 0.000 . 2 . . . A 19 MET HB2 . 17545 1 95 . 1 1 10 10 MET HG2 H 1 2.224 0.000 . 2 . . . A 19 MET HG2 . 17545 1 96 . 1 1 10 10 MET HG3 H 1 1.767 0.000 . 2 . . . A 19 MET HG3 . 17545 1 97 . 1 1 10 10 MET H H 1 7.979 0.003 . 1 . . . A 19 MET HN . 17545 1 98 . 1 1 10 10 MET CA C 13 51.312 0.000 . 1 . . . A 19 MET CA . 17545 1 99 . 1 1 10 10 MET CB C 13 31.708 0.000 . 1 . . . A 19 MET CB . 17545 1 100 . 1 1 10 10 MET N N 15 117.023 0.000 . 1 . . . A 19 MET N . 17545 1 101 . 1 1 11 11 SER HA H 1 4.775 0.000 . 1 . . . A 20 SER HA . 17545 1 102 . 1 1 11 11 SER HB2 H 1 4.165 0.000 . 1 . . . A 20 SER HB2 . 17545 1 103 . 1 1 11 11 SER HB3 H 1 4.080 0.007 . 1 . . . A 20 SER HB3 . 17545 1 104 . 1 1 11 11 SER H H 1 8.988 0.000 . 1 . . . A 20 SER HN . 17545 1 105 . 1 1 11 11 SER CA C 13 55.145 0.000 . 1 . . . A 20 SER CA . 17545 1 106 . 1 1 11 11 SER CB C 13 60.929 0.002 . 1 . . . A 20 SER CB . 17545 1 107 . 1 1 11 11 SER N N 15 120.523 0.000 . 1 . . . A 20 SER N . 17545 1 108 . 1 1 12 12 ARG HA H 1 3.849 0.001 . 1 . . . A 21 ARG HA . 17545 1 109 . 1 1 12 12 ARG HB2 H 1 1.749 0.000 . 2 . . . A 21 ARG HB2 . 17545 1 110 . 1 1 12 12 ARG HG2 H 1 1.571 0.000 . 2 . . . A 21 ARG HG2 . 17545 1 111 . 1 1 12 12 ARG HG3 H 1 1.677 0.002 . 2 . . . A 21 ARG HG3 . 17545 1 112 . 1 1 12 12 ARG HD2 H 1 3.087 0.096 . 2 . . . A 21 ARG HD2 . 17545 1 113 . 1 1 12 12 ARG HD3 H 1 2.914 0.000 . 1 . . . A 21 ARG HD3 . 17545 1 114 . 1 1 12 12 ARG HE H 1 7.761 0.003 . 1 . . . A 21 ARG HE . 17545 1 115 . 1 1 12 12 ARG H H 1 8.473 0.000 . 1 . . . A 21 ARG HN . 17545 1 116 . 1 1 12 12 ARG CA C 13 55.751 0.003 . 1 . . . A 21 ARG CA . 17545 1 117 . 1 1 12 12 ARG CB C 13 27.975 0.000 . 1 . . . A 21 ARG CB . 17545 1 118 . 1 1 12 12 ARG NE N 15 115.299 0.000 . 1 . . . A 21 ARG NE . 17545 1 119 . 1 1 13 13 SER HA H 1 4.158 0.002 . 1 . . . A 22 SER HA . 17545 1 120 . 1 1 13 13 SER HB2 H 1 3.743 0.326 . 2 . . . A 22 SER HB2 . 17545 1 121 . 1 1 13 13 SER HB3 H 1 3.665 0.477 . 2 . . . A 22 SER HB3 . 17545 1 122 . 1 1 13 13 SER H H 1 8.624 0.005 . 1 . . . A 22 SER HN . 17545 1 123 . 1 1 13 13 SER CA C 13 57.548 0.002 . 1 . . . A 22 SER CA . 17545 1 124 . 1 1 13 13 SER CB C 13 61.035 0.000 . 1 . . . A 22 SER CB . 17545 1 125 . 1 1 13 13 SER N N 15 113.028 0.000 . 1 . . . A 22 SER N . 17545 1 126 . 1 1 14 14 SER HA H 1 4.165 0.000 . 1 . . . A 23 SER HA . 17545 1 127 . 1 1 14 14 SER HB2 H 1 3.738 0.000 . 2 . . . A 23 SER HB2 . 17545 1 128 . 1 1 14 14 SER HB3 H 1 3.521 0.005 . 2 . . . A 23 SER HB3 . 17545 1 129 . 1 1 14 14 SER H H 1 7.810 0.001 . 1 . . . A 23 SER HN . 17545 1 130 . 1 1 14 14 SER CA C 13 55.850 0.000 . 1 . . . A 23 SER CA . 17545 1 131 . 1 1 14 14 SER CB C 13 64.522 0.004 . 1 . . . A 23 SER CB . 17545 1 132 . 1 1 14 14 SER N N 15 112.803 0.001 . 1 . . . A 23 SER N . 17545 1 133 . 1 1 15 15 GLY HA2 H 1 3.931 0.001 . 2 . . . A 24 GLY HA1 . 17545 1 134 . 1 1 15 15 GLY HA3 H 1 3.644 0.000 . 2 . . . A 24 GLY HA2 . 17545 1 135 . 1 1 15 15 GLY H H 1 7.754 0.000 . 1 . . . A 24 GLY HN . 17545 1 136 . 1 1 15 15 GLY CA C 13 43.914 0.000 . 1 . . . A 24 GLY CA . 17545 1 137 . 1 1 15 15 GLY N N 15 112.482 0.002 . 1 . . . A 24 GLY N . 17545 1 138 . 1 1 16 16 ARG HA H 1 4.196 0.000 . 1 . . . A 25 ARG HA . 17545 1 139 . 1 1 16 16 ARG HB2 H 1 1.542 0.000 . 1 . . . A 25 ARG HB2 . 17545 1 140 . 1 1 16 16 ARG HB3 H 1 1.428 0.002 . 1 . . . A 25 ARG HB3 . 17545 1 141 . 1 1 16 16 ARG HG2 H 1 1.777 0.000 . 2 . . . A 25 ARG HG2 . 17545 1 142 . 1 1 16 16 ARG HD2 H 1 2.609 0.000 . 2 . . . A 25 ARG HD2 . 17545 1 143 . 1 1 16 16 ARG HD3 H 1 2.296 0.000 . 1 . . . A 25 ARG HD3 . 17545 1 144 . 1 1 16 16 ARG HE H 1 6.573 0.000 . 1 . . . A 25 ARG HE . 17545 1 145 . 1 1 16 16 ARG HH21 H 1 5.881 0.002 . 1 . . . A 25 ARG HH21 . 17545 1 146 . 1 1 16 16 ARG H H 1 7.477 0.000 . 1 . . . A 25 ARG HN . 17545 1 147 . 1 1 16 16 ARG CA C 13 53.436 0.000 . 1 . . . A 25 ARG CA . 17545 1 148 . 1 1 16 16 ARG CB C 13 30.013 0.000 . 1 . . . A 25 ARG CB . 17545 1 149 . 1 1 16 16 ARG N N 15 119.530 0.000 . 1 . . . A 25 ARG N . 17545 1 150 . 1 1 16 16 ARG NE N 15 114.165 0.000 . 1 . . . A 25 ARG NE . 17545 1 151 . 1 1 17 17 VAL HA H 1 4.450 0.002 . 1 . . . A 26 VAL HA . 17545 1 152 . 1 1 17 17 VAL HB H 1 1.758 0.002 . 1 . . . A 26 VAL HB . 17545 1 153 . 1 1 17 17 VAL H H 1 8.318 0.003 . 1 . . . A 26 VAL HN . 17545 1 154 . 1 1 17 17 VAL CA C 13 60.052 0.000 . 1 . . . A 26 VAL CA . 17545 1 155 . 1 1 17 17 VAL CB C 13 30.371 0.001 . 1 . . . A 26 VAL CB . 17545 1 156 . 1 1 17 17 VAL N N 15 124.146 0.000 . 1 . . . A 26 VAL N . 17545 1 157 . 1 1 17 17 VAL HG11 H 1 0.817 0.000 . 1 . . . A 26 VAL QG1 . 17545 1 158 . 1 1 17 17 VAL HG12 H 1 0.817 0.000 . 1 . . . A 26 VAL QG1 . 17545 1 159 . 1 1 17 17 VAL HG13 H 1 0.817 0.000 . 1 . . . A 26 VAL QG1 . 17545 1 160 . 1 1 17 17 VAL HG21 H 1 0.577 0.000 . 1 . . . A 26 VAL QG2 . 17545 1 161 . 1 1 17 17 VAL HG22 H 1 0.577 0.000 . 1 . . . A 26 VAL QG2 . 17545 1 162 . 1 1 17 17 VAL HG23 H 1 0.577 0.000 . 1 . . . A 26 VAL QG2 . 17545 1 163 . 1 1 18 18 TYR HA H 1 4.705 0.001 . 1 . . . A 27 TYR HA . 17545 1 164 . 1 1 18 18 TYR HB2 H 1 2.489 0.000 . 2 . . . A 27 TYR HB2 . 17545 1 165 . 1 1 18 18 TYR HB3 H 1 2.231 0.000 . 2 . . . A 27 TYR HB3 . 17545 1 166 . 1 1 18 18 TYR H H 1 8.472 0.000 . 1 . . . A 27 TYR HN . 17545 1 167 . 1 1 18 18 TYR CA C 13 52.989 0.001 . 1 . . . A 27 TYR CA . 17545 1 168 . 1 1 18 18 TYR CB C 13 36.986 0.000 . 1 . . . A 27 TYR CB . 17545 1 169 . 1 1 18 18 TYR N N 15 122.086 0.000 . 1 . . . A 27 TYR N . 17545 1 170 . 1 1 18 18 TYR HD1 H 1 6.092 0.000 . 1 . . . A 27 TYR QE . 17545 1 171 . 1 1 18 18 TYR HD2 H 1 6.092 0.000 . 1 . . . A 27 TYR QE . 17545 1 172 . 1 1 18 18 TYR HE1 H 1 6.568 0.000 . 1 . . . A 27 TYR QD . 17545 1 173 . 1 1 18 18 TYR HE2 H 1 6.568 0.000 . 1 . . . A 27 TYR QD . 17545 1 174 . 1 1 19 19 TYR HA H 1 5.098 0.000 . 1 . . . A 28 TYR HA . 17545 1 175 . 1 1 19 19 TYR HB2 H 1 2.767 0.005 . 2 . . . A 28 TYR HB2 . 17545 1 176 . 1 1 19 19 TYR HB3 H 1 2.486 0.000 . 1 . . . A 28 TYR HB3 . 17545 1 177 . 1 1 19 19 TYR H H 1 8.786 0.000 . 1 . . . A 28 TYR HN . 17545 1 178 . 1 1 19 19 TYR CA C 13 54.866 0.000 . 1 . . . A 28 TYR CA . 17545 1 179 . 1 1 19 19 TYR CB C 13 38.953 0.234 . 1 . . . A 28 TYR CB . 17545 1 180 . 1 1 19 19 TYR N N 15 116.502 0.000 . 1 . . . A 28 TYR N . 17545 1 181 . 1 1 19 19 TYR HD1 H 1 6.545 0.000 . 1 . . . A 28 TYR QE . 17545 1 182 . 1 1 19 19 TYR HD2 H 1 6.545 0.000 . 1 . . . A 28 TYR QE . 17545 1 183 . 1 1 19 19 TYR HE1 H 1 6.642 0.000 . 1 . . . A 28 TYR QD . 17545 1 184 . 1 1 19 19 TYR HE2 H 1 6.642 0.000 . 1 . . . A 28 TYR QD . 17545 1 185 . 1 1 20 20 PHE HA H 1 5.555 0.000 . 1 . . . A 29 PHE HA . 17545 1 186 . 1 1 20 20 PHE HB2 H 1 2.889 0.000 . 1 . . . A 29 PHE HB2 . 17545 1 187 . 1 1 20 20 PHE HB3 H 1 2.533 0.002 . 1 . . . A 29 PHE HB3 . 17545 1 188 . 1 1 20 20 PHE HZ H 1 7.026 0.096 . 1 . . . A 29 PHE HZ . 17545 1 189 . 1 1 20 20 PHE H H 1 9.234 0.001 . 1 . . . A 29 PHE HN . 17545 1 190 . 1 1 20 20 PHE CB C 13 41.863 0.000 . 1 . . . A 29 PHE CB . 17545 1 191 . 1 1 20 20 PHE N N 15 124.444 0.000 . 1 . . . A 29 PHE N . 17545 1 192 . 1 1 20 20 PHE HD1 H 1 6.750 0.001 . 1 . . . A 29 PHE QD . 17545 1 193 . 1 1 20 20 PHE HD2 H 1 6.750 0.001 . 1 . . . A 29 PHE QD . 17545 1 194 . 1 1 20 20 PHE HE1 H 1 6.705 0.000 . 1 . . . A 29 PHE QE . 17545 1 195 . 1 1 20 20 PHE HE2 H 1 6.705 0.000 . 1 . . . A 29 PHE QE . 17545 1 196 . 1 1 21 21 ASN HA H 1 4.069 0.000 . 1 . . . A 30 ASN HA . 17545 1 197 . 1 1 21 21 ASN HB2 H 1 1.772 0.000 . 2 . . . A 30 ASN HB2 . 17545 1 198 . 1 1 21 21 ASN HB3 H 1 -0.948 0.000 . 2 . . . A 30 ASN HB3 . 17545 1 199 . 1 1 21 21 ASN HD21 H 1 6.383 0.000 . 2 . . . A 30 ASN HD21 . 17545 1 200 . 1 1 21 21 ASN HD22 H 1 4.050 0.000 . 1 . . . A 30 ASN HD22 . 17545 1 201 . 1 1 21 21 ASN H H 1 8.074 0.000 . 1 . . . A 30 ASN HN . 17545 1 202 . 1 1 21 21 ASN CA C 13 48.161 0.000 . 1 . . . A 30 ASN CA . 17545 1 203 . 1 1 21 21 ASN CB C 13 35.466 0.004 . 1 . . . A 30 ASN CB . 17545 1 204 . 1 1 21 21 ASN N N 15 128.936 0.000 . 1 . . . A 30 ASN N . 17545 1 205 . 1 1 21 21 ASN ND2 N 15 109.682 0.004 . 1 . . . A 30 ASN ND2 . 17545 1 206 . 1 1 22 22 HIS HA H 1 3.720 0.000 . 1 . . . A 31 HIS HA . 17545 1 207 . 1 1 22 22 HIS HB2 H 1 3.054 0.000 . 2 . . . A 31 HIS HB2 . 17545 1 208 . 1 1 22 22 HIS HB3 H 1 2.795 0.000 . 2 . . . A 31 HIS HB3 . 17545 1 209 . 1 1 22 22 HIS HD1 H 1 6.751 0.001 . 1 . . . A 31 HIS HD1 . 17545 1 210 . 1 1 22 22 HIS HD2 H 1 6.753 0.017 . 1 . . . A 31 HIS HD2 . 17545 1 211 . 1 1 22 22 HIS HE1 H 1 7.812 0.019 . 1 . . . A 31 HIS HE1 . 17545 1 212 . 1 1 22 22 HIS H H 1 7.811 0.000 . 1 . . . A 31 HIS HN . 17545 1 213 . 1 1 22 22 HIS CA C 13 55.313 0.000 . 1 . . . A 31 HIS CA . 17545 1 214 . 1 1 22 22 HIS CB C 13 26.884 0.001 . 1 . . . A 31 HIS CB . 17545 1 215 . 1 1 22 22 HIS N N 15 120.721 0.000 . 1 . . . A 31 HIS N . 17545 1 216 . 1 1 23 23 ILE HA H 1 3.611 0.000 . 1 . . . A 32 ILE HA . 17545 1 217 . 1 1 23 23 ILE HB H 1 1.779 0.000 . 1 . . . A 32 ILE HB . 17545 1 218 . 1 1 23 23 ILE HG12 H 1 1.024 0.000 . 2 . . . A 32 ILE HG12 . 17545 1 219 . 1 1 23 23 ILE HG13 H 1 0.714 0.000 . 2 . . . A 32 ILE HG13 . 17545 1 220 . 1 1 23 23 ILE H H 1 8.072 0.003 . 1 . . . A 32 ILE HN . 17545 1 221 . 1 1 23 23 ILE CA C 13 60.767 0.002 . 1 . . . A 32 ILE CA . 17545 1 222 . 1 1 23 23 ILE CB C 13 34.572 0.004 . 1 . . . A 32 ILE CB . 17545 1 223 . 1 1 23 23 ILE N N 15 121.846 0.000 . 1 . . . A 32 ILE N . 17545 1 224 . 1 1 23 23 ILE HG21 H 1 0.492 0.002 . 1 . . . A 32 ILE QG2 . 17545 1 225 . 1 1 23 23 ILE HG22 H 1 0.492 0.002 . 1 . . . A 32 ILE QG2 . 17545 1 226 . 1 1 23 23 ILE HG23 H 1 0.492 0.002 . 1 . . . A 32 ILE QG2 . 17545 1 227 . 1 1 23 23 ILE HD11 H 1 0.543 0.000 . 1 . . . A 32 ILE QD1 . 17545 1 228 . 1 1 23 23 ILE HD12 H 1 0.543 0.000 . 1 . . . A 32 ILE QD1 . 17545 1 229 . 1 1 23 23 ILE HD13 H 1 0.543 0.000 . 1 . . . A 32 ILE QD1 . 17545 1 230 . 1 1 24 24 THR HA H 1 3.833 0.000 . 1 . . . A 33 THR HA . 17545 1 231 . 1 1 24 24 THR HB H 1 4.005 0.001 . 1 . . . A 33 THR HB . 17545 1 232 . 1 1 24 24 THR HG1 H 1 4.842 0.000 . 1 . . . A 33 THR HG1 . 17545 1 233 . 1 1 24 24 THR H H 1 7.134 0.000 . 1 . . . A 33 THR HN . 17545 1 234 . 1 1 24 24 THR CA C 13 58.711 0.000 . 1 . . . A 33 THR CA . 17545 1 235 . 1 1 24 24 THR CB C 13 67.204 0.003 . 1 . . . A 33 THR CB . 17545 1 236 . 1 1 24 24 THR N N 15 108.089 0.000 . 1 . . . A 33 THR N . 17545 1 237 . 1 1 24 24 THR HG21 H 1 0.708 0.000 . 1 . . . A 33 THR QG2 . 17545 1 238 . 1 1 24 24 THR HG22 H 1 0.708 0.000 . 1 . . . A 33 THR QG2 . 17545 1 239 . 1 1 24 24 THR HG23 H 1 0.708 0.000 . 1 . . . A 33 THR QG2 . 17545 1 240 . 1 1 25 25 ASN HA H 1 4.043 0.000 . 1 . . . A 34 ASN HA . 17545 1 241 . 1 1 25 25 ASN HB2 H 1 2.902 0.005 . 2 . . . A 34 ASN HB2 . 17545 1 242 . 1 1 25 25 ASN HB3 H 1 2.668 0.003 . 2 . . . A 34 ASN HB3 . 17545 1 243 . 1 1 25 25 ASN HD21 H 1 7.196 0.001 . 2 . . . A 34 ASN HD21 . 17545 1 244 . 1 1 25 25 ASN HD22 H 1 6.546 0.000 . 2 . . . A 34 ASN HD22 . 17545 1 245 . 1 1 25 25 ASN H H 1 7.803 0.001 . 1 . . . A 34 ASN HN . 17545 1 246 . 1 1 25 25 ASN CA C 13 52.542 0.000 . 1 . . . A 34 ASN CA . 17545 1 247 . 1 1 25 25 ASN N N 15 118.339 0.000 . 1 . . . A 34 ASN N . 17545 1 248 . 1 1 25 25 ASN ND2 N 15 111.862 0.000 . 1 . . . A 34 ASN ND2 . 17545 1 249 . 1 1 26 26 ALA HA H 1 4.267 0.004 . 1 . . . A 35 ALA HA . 17545 1 250 . 1 1 26 26 ALA H H 1 6.980 0.000 . 1 . . . A 35 ALA HN . 17545 1 251 . 1 1 26 26 ALA CA C 13 49.770 0.000 . 1 . . . A 35 ALA CA . 17545 1 252 . 1 1 26 26 ALA CB C 13 18.391 0.000 . 1 . . . A 35 ALA CB . 17545 1 253 . 1 1 26 26 ALA N N 15 121.615 0.007 . 1 . . . A 35 ALA N . 17545 1 254 . 1 1 26 26 ALA HB1 H 1 1.043 0.000 . 1 . . . A 35 ALA QB . 17545 1 255 . 1 1 26 26 ALA HB2 H 1 1.043 0.000 . 1 . . . A 35 ALA QB . 17545 1 256 . 1 1 26 26 ALA HB3 H 1 1.043 0.000 . 1 . . . A 35 ALA QB . 17545 1 257 . 1 1 27 27 SER HA H 1 5.881 0.000 . 1 . . . A 36 SER HA . 17545 1 258 . 1 1 27 27 SER HB2 H 1 3.743 0.000 . 2 . . . A 36 SER HB2 . 17545 1 259 . 1 1 27 27 SER HB3 H 1 3.656 0.000 . 2 . . . A 36 SER HB3 . 17545 1 260 . 1 1 27 27 SER H H 1 8.222 0.000 . 1 . . . A 36 SER HN . 17545 1 261 . 1 1 27 27 SER CA C 13 54.062 0.000 . 1 . . . A 36 SER CA . 17545 1 262 . 1 1 27 27 SER CB C 13 64.611 0.000 . 1 . . . A 36 SER CB . 17545 1 263 . 1 1 27 27 SER N N 15 112.928 0.000 . 1 . . . A 36 SER N . 17545 1 264 . 1 1 28 28 GLN HA H 1 4.653 0.003 . 1 . . . A 37 GLN HA . 17545 1 265 . 1 1 28 28 GLN HB2 H 1 2.033 0.000 . 1 . . . A 37 GLN HB2 . 17545 1 266 . 1 1 28 28 GLN HB3 H 1 1.703 0.000 . 1 . . . A 37 GLN HB3 . 17545 1 267 . 1 1 28 28 GLN HG2 H 1 2.503 0.000 . 1 . . . A 37 GLN HG2 . 17545 1 268 . 1 1 28 28 GLN HG3 H 1 2.280 0.000 . 1 . . . A 37 GLN HG3 . 17545 1 269 . 1 1 28 28 GLN HE21 H 1 7.328 0.000 . 1 . . . A 37 GLN HE21 . 17545 1 270 . 1 1 28 28 GLN HE22 H 1 6.553 0.000 . 1 . . . A 37 GLN HE22 . 17545 1 271 . 1 1 28 28 GLN H H 1 9.356 0.000 . 1 . . . A 37 GLN HN . 17545 1 272 . 1 1 28 28 GLN CA C 13 51.916 0.000 . 1 . . . A 37 GLN CA . 17545 1 273 . 1 1 28 28 GLN CB C 13 29.298 0.004 . 1 . . . A 37 GLN CB . 17545 1 274 . 1 1 28 28 GLN N N 15 115.956 0.000 . 1 . . . A 37 GLN N . 17545 1 275 . 1 1 28 28 GLN NE2 N 15 113.484 0.000 . 1 . . . A 37 GLN NE2 . 17545 1 276 . 1 1 29 29 TRP HA H 1 4.731 0.000 . 1 . . . A 38 TRP HA . 17545 1 277 . 1 1 29 29 TRP HB2 H 1 3.287 0.199 . 1 . . . A 38 TRP HB2 . 17545 1 278 . 1 1 29 29 TRP HB3 H 1 2.914 0.000 . 1 . . . A 38 TRP HB3 . 17545 1 279 . 1 1 29 29 TRP HD1 H 1 7.174 0.000 . 1 . . . A 38 TRP HD1 . 17545 1 280 . 1 1 29 29 TRP HE1 H 1 9.491 0.000 . 1 . . . A 38 TRP HE1 . 17545 1 281 . 1 1 29 29 TRP HE3 H 1 7.986 0.000 . 1 . . . A 38 TRP HE3 . 17545 1 282 . 1 1 29 29 TRP HZ2 H 1 6.998 0.001 . 1 . . . A 38 TRP HZ2 . 17545 1 283 . 1 1 29 29 TRP HZ3 H 1 6.648 0.000 . 1 . . . A 38 TRP HZ3 . 17545 1 284 . 1 1 29 29 TRP HH2 H 1 6.756 0.000 . 1 . . . A 38 TRP HH2 . 17545 1 285 . 1 1 29 29 TRP H H 1 8.734 0.000 . 1 . . . A 38 TRP HN . 17545 1 286 . 1 1 29 29 TRP CA C 13 57.191 0.000 . 1 . . . A 38 TRP CA . 17545 1 287 . 1 1 29 29 TRP CB C 13 28.225 0.000 . 1 . . . A 38 TRP CB . 17545 1 288 . 1 1 29 29 TRP N N 15 121.366 0.003 . 1 . . . A 38 TRP N . 17545 1 289 . 1 1 29 29 TRP NE1 N 15 128.751 0.000 . 1 . . . A 38 TRP NE1 . 17545 1 290 . 1 1 30 30 GLU HA H 1 4.127 0.000 . 1 . . . A 39 GLU HA . 17545 1 291 . 1 1 30 30 GLU HB2 H 1 1.677 0.000 . 2 . . . A 39 GLU HB2 . 17545 1 292 . 1 1 30 30 GLU HG2 H 1 2.122 0.000 . 1 . . . A 39 GLU HG2 . 17545 1 293 . 1 1 30 30 GLU HG3 H 1 2.027 0.003 . 2 . . . A 39 GLU HG3 . 17545 1 294 . 1 1 30 30 GLU H H 1 8.152 0.000 . 1 . . . A 39 GLU HN . 17545 1 295 . 1 1 30 30 GLU CA C 13 54.330 0.000 . 1 . . . A 39 GLU CA . 17545 1 296 . 1 1 30 30 GLU CB C 13 27.063 0.002 . 1 . . . A 39 GLU CB . 17545 1 297 . 1 1 30 30 GLU N N 15 117.023 0.000 . 1 . . . A 39 GLU N . 17545 1 298 . 1 1 31 31 ARG HA H 1 2.484 0.000 . 1 . . . A 40 ARG HA . 17545 1 299 . 1 1 31 31 ARG HB2 H 1 1.153 0.000 . 2 . . . A 40 ARG HB2 . 17545 1 300 . 1 1 31 31 ARG HG2 H 1 0.972 0.000 . 2 . . . A 40 ARG HG2 . 17545 1 301 . 1 1 31 31 ARG HG3 H 1 0.687 0.000 . 2 . . . A 40 ARG HG3 . 17545 1 302 . 1 1 31 31 ARG HD2 H 1 2.785 0.000 . 2 . . . A 40 ARG HD2 . 17545 1 303 . 1 1 31 31 ARG HE H 1 7.044 0.000 . 1 . . . A 40 ARG HE . 17545 1 304 . 1 1 31 31 ARG H H 1 8.341 0.000 . 1 . . . A 40 ARG HN . 17545 1 305 . 1 1 31 31 ARG CA C 13 51.469 0.000 . 1 . . . A 40 ARG CA . 17545 1 306 . 1 1 31 31 ARG CB C 13 27.063 0.000 . 1 . . . A 40 ARG CB . 17545 1 307 . 1 1 31 31 ARG N N 15 125.486 0.001 . 1 . . . A 40 ARG N . 17545 1 308 . 1 1 31 31 ARG NE N 15 115.597 0.017 . 1 . . . A 40 ARG NE . 17545 1 309 . 1 1 32 32 PRO HA H 1 3.630 0.000 . 1 . . . A 41 PRO HA . 17545 1 310 . 1 1 32 32 PRO HB2 H 1 0.569 0.000 . 2 . . . A 41 PRO HB2 . 17545 1 311 . 1 1 32 32 PRO HB3 H 1 0.374 0.002 . 2 . . . A 41 PRO HB3 . 17545 1 312 . 1 1 32 32 PRO HG2 H 1 0.359 0.006 . 2 . . . A 41 PRO HG2 . 17545 1 313 . 1 1 32 32 PRO HG3 H 1 -0.281 0.000 . 2 . . . A 41 PRO HG3 . 17545 1 314 . 1 1 32 32 PRO HD2 H 1 2.248 0.005 . 2 . . . A 41 PRO HD2 . 17545 1 315 . 1 1 32 32 PRO HD3 H 1 2.044 0.000 . 2 . . . A 41 PRO HD3 . 17545 1 316 . 1 1 32 32 PRO CA C 13 59.158 0.000 . 1 . . . A 41 PRO CA . 17545 1 317 . 1 1 32 32 PRO CB C 13 28.404 0.000 . 1 . . . A 41 PRO CB . 17545 1 318 . 1 1 33 33 SER HA H 1 4.091 0.000 . 1 . . . A 42 SER HA . 17545 1 319 . 1 1 33 33 SER HB2 H 1 3.589 0.000 . 2 . . . A 42 SER HB2 . 17545 1 320 . 1 1 33 33 SER HB3 H 1 3.484 0.003 . 2 . . . A 42 SER HB3 . 17545 1 321 . 1 1 33 33 SER H H 1 7.993 0.000 . 1 . . . A 42 SER HN . 17545 1 322 . 1 1 33 33 SER CA C 13 55.045 0.000 . 1 . . . A 42 SER CA . 17545 1 323 . 1 1 33 33 SER CB C 13 62.197 0.000 . 1 . . . A 42 SER CB . 17545 1 324 . 1 1 33 33 SER N N 15 115.267 0.000 . 1 . . . A 42 SER N . 17545 1 325 . 1 1 34 34 GLY HA2 H 1 3.750 0.000 . 1 . . . A 43 GLY HA1 . 17545 1 326 . 1 1 34 34 GLY H H 1 8.350 0.000 . 1 . . . A 43 GLY HN . 17545 1 327 . 1 1 34 34 GLY CA C 13 42.708 0.000 . 1 . . . A 43 GLY CA . 17545 1 328 . 1 1 34 34 GLY N N 15 110.372 0.000 . 1 . . . A 43 GLY N . 17545 1 329 . 1 1 35 35 ASN HA H 1 4.579 0.000 . 1 . . . A 44 ASN HA . 17545 1 330 . 1 1 35 35 ASN HB2 H 1 2.644 0.000 . 2 . . . A 44 ASN HB2 . 17545 1 331 . 1 1 35 35 ASN HB3 H 1 2.499 0.002 . 1 . . . A 44 ASN HB3 . 17545 1 332 . 1 1 35 35 ASN HD21 H 1 7.454 0.007 . 2 . . . A 44 ASN HD21 . 17545 1 333 . 1 1 35 35 ASN HD22 H 1 6.745 0.000 . 2 . . . A 44 ASN HD22 . 17545 1 334 . 1 1 35 35 ASN H H 1 8.235 0.000 . 1 . . . A 44 ASN HN . 17545 1 335 . 1 1 35 35 ASN CA C 13 50.665 0.000 . 1 . . . A 44 ASN CA . 17545 1 336 . 1 1 35 35 ASN CB C 13 36.271 0.000 . 1 . . . A 44 ASN CB . 17545 1 337 . 1 1 35 35 ASN N N 15 118.463 0.000 . 1 . . . A 44 ASN N . 17545 1 338 . 1 1 35 35 ASN ND2 N 15 112.900 0.000 . 1 . . . A 44 ASN ND2 . 17545 1 339 . 1 1 36 36 SER HA H 1 4.067 0.000 . 1 . . . A 45 SER HA . 17545 1 340 . 1 1 36 36 SER HB2 H 1 3.623 0.002 . 2 . . . A 45 SER HB2 . 17545 1 341 . 1 1 36 36 SER H H 1 7.771 0.001 . 1 . . . A 45 SER HN . 17545 1 342 . 1 1 36 36 SER CA C 13 57.459 0.000 . 1 . . . A 45 SER CA . 17545 1 343 . 1 1 36 36 SER CB C 13 61.840 0.000 . 1 . . . A 45 SER CB . 17545 1 344 . 1 1 36 36 SER N N 15 121.260 0.003 . 1 . . . A 45 SER N . 17545 1 345 . 2 2 1 1 ILE HA H 1 4.244 0.000 . 1 . . . B 176 ILE HA . 17545 1 346 . 2 2 1 1 ILE HD11 H 1 0.390 0.000 . 1 . . . B 176 ILE HD12 . 17545 1 347 . 2 2 1 1 ILE HD12 H 1 0.390 0.000 . 1 . . . B 176 ILE HD12 . 17545 1 348 . 2 2 1 1 ILE HD13 H 1 0.390 0.000 . 1 . . . B 176 ILE HD12 . 17545 1 349 . 2 2 1 1 ILE H H 1 8.079 0.000 . 1 . . . B 176 ILE H1 . 17545 1 350 . 2 2 2 2 PRO HA H 1 3.787 0.000 . 1 . . . B 177 PRO HA . 17545 1 351 . 2 2 2 2 PRO HB2 H 1 1.694 0.001 . 2 . . . B 177 PRO HB2 . 17545 1 352 . 2 2 2 2 PRO HB3 H 1 1.601 0.000 . 2 . . . B 177 PRO HB3 . 17545 1 353 . 2 2 2 2 PRO HG2 H 1 1.593 0.002 . 2 . . . B 177 PRO HG2 . 17545 1 354 . 2 2 2 2 PRO HG3 H 1 1.435 0.005 . 2 . . . B 177 PRO HG3 . 17545 1 355 . 2 2 2 2 PRO HD2 H 1 3.173 0.015 . 2 . . . B 177 PRO HD2 . 17545 1 356 . 2 2 3 3 GLU H H 1 8.122 0.002 . 1 . . . B 178 GLU H . 17545 1 357 . 2 2 3 3 GLU HA H 1 4.144 0.000 . 1 . . . B 178 GLU HA . 17545 1 358 . 2 2 3 3 GLU HB2 H 1 1.848 0.005 . 2 . . . B 178 GLU HB2 . 17545 1 359 . 2 2 3 3 GLU HB3 H 1 1.738 0.000 . 2 . . . B 178 GLU HB3 . 17545 1 360 . 2 2 3 3 GLU HG2 H 1 2.054 0.004 . 2 . . . B 178 GLU HG2 . 17545 1 361 . 2 2 3 3 GLU HG3 H 1 1.992 0.003 . 2 . . . B 178 GLU HG3 . 17545 1 362 . 2 2 4 4 TPO H H 1 8.183 0.000 . 1 . . . B 179 TPO H . 17545 1 363 . 2 2 5 5 PRO HA H 1 4.482 0.000 . 1 . . . B 180 PRO HA . 17545 1 364 . 2 2 5 5 PRO HB2 H 1 1.793 0.000 . 2 . . . B 180 PRO HB2 . 17545 1 365 . 2 2 5 5 PRO HB3 H 1 1.687 0.004 . 2 . . . B 180 PRO HB3 . 17545 1 366 . 2 2 5 5 PRO HG2 H 1 1.802 0.000 . 2 . . . B 180 PRO HG2 . 17545 1 367 . 2 2 5 5 PRO HG3 H 1 1.693 0.000 . 2 . . . B 180 PRO HG3 . 17545 1 368 . 2 2 5 5 PRO HD2 H 1 3.494 0.008 . 2 . . . B 180 PRO HD2 . 17545 1 369 . 2 2 5 5 PRO HD3 H 1 3.258 0.000 . 2 . . . B 180 PRO HD3 . 17545 1 370 . 2 2 6 6 PRO HA H 1 4.214 0.005 . 1 . . . B 181 PRO HA . 17545 1 371 . 2 2 6 6 PRO HB2 H 1 2.040 0.008 . 2 . . . B 181 PRO HB2 . 17545 1 372 . 2 2 6 6 PRO HG2 H 1 1.792 0.009 . 2 . . . B 181 PRO HG2 . 17545 1 373 . 2 2 6 6 PRO HG3 H 1 1.599 0.002 . 2 . . . B 181 PRO HG3 . 17545 1 374 . 2 2 6 6 PRO HD2 H 1 3.697 0.000 . 2 . . . B 181 PRO HD2 . 17545 1 375 . 2 2 6 6 PRO HD3 H 1 3.399 0.009 . 2 . . . B 181 PRO HD3 . 17545 1 376 . 2 2 8 8 GLY HA3 H 1 3.647 0.000 . 2 . . . B 183 GLY HA2 . 17545 1 stop_ save_