################################### # 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 34940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '3D 1H-13C NOESY' . . . 34940 1 2 '2D 1H-1H NOESY' . . . 34940 1 3 '2D 1H-1H TOCSY' . . . 34940 1 4 '2D 1H-13C HSQC' . . . 34940 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 42 42 VAL HG11 H 1 -0.051 0.000 . 2 . . . . A 362 VAL HG11 . 34940 1 2 . 1 . 1 42 42 VAL HG12 H 1 -0.051 0.000 . 2 . . . . A 362 VAL HG12 . 34940 1 3 . 1 . 1 42 42 VAL HG13 H 1 -0.051 0.000 . 2 . . . . A 362 VAL HG13 . 34940 1 4 . 1 . 1 42 42 VAL HG21 H 1 -0.448 0.000 . 2 . . . . A 362 VAL HG21 . 34940 1 5 . 1 . 1 42 42 VAL HG22 H 1 -0.448 0.000 . 2 . . . . A 362 VAL HG22 . 34940 1 6 . 1 . 1 42 42 VAL HG23 H 1 -0.448 0.000 . 2 . . . . A 362 VAL HG23 . 34940 1 7 . 1 . 1 42 42 VAL CG1 C 13 20.087 0.000 . 1 . . . . A 362 VAL CG1 . 34940 1 8 . 1 . 1 42 42 VAL CG2 C 13 21.958 0.000 . 1 . . . . A 362 VAL CG2 . 34940 1 9 . 1 . 1 120 120 VAL HG11 H 1 0.657 0.000 . 2 . . . . A 440 VAL HG11 . 34940 1 10 . 1 . 1 120 120 VAL HG12 H 1 0.657 0.000 . 2 . . . . A 440 VAL HG12 . 34940 1 11 . 1 . 1 120 120 VAL HG13 H 1 0.657 0.000 . 2 . . . . A 440 VAL HG13 . 34940 1 12 . 1 . 1 120 120 VAL HG21 H 1 0.622 0.000 . 2 . . . . A 440 VAL HG21 . 34940 1 13 . 1 . 1 120 120 VAL HG22 H 1 0.622 0.000 . 2 . . . . A 440 VAL HG22 . 34940 1 14 . 1 . 1 120 120 VAL HG23 H 1 0.622 0.000 . 2 . . . . A 440 VAL HG23 . 34940 1 15 . 1 . 1 120 120 VAL CG1 C 13 22.722 0.000 . 1 . . . . A 440 VAL CG1 . 34940 1 16 . 1 . 1 120 120 VAL CG2 C 13 21.699 0.000 . 1 . . . . A 440 VAL CG2 . 34940 1 17 . 1 . 1 151 151 VAL HG11 H 1 0.942 0.000 . 2 . . . . A 471 VAL HG11 . 34940 1 18 . 1 . 1 151 151 VAL HG12 H 1 0.942 0.000 . 2 . . . . A 471 VAL HG12 . 34940 1 19 . 1 . 1 151 151 VAL HG13 H 1 0.942 0.000 . 2 . . . . A 471 VAL HG13 . 34940 1 20 . 1 . 1 151 151 VAL HG21 H 1 0.879 0.000 . 2 . . . . A 471 VAL HG21 . 34940 1 21 . 1 . 1 151 151 VAL HG22 H 1 0.879 0.000 . 2 . . . . A 471 VAL HG22 . 34940 1 22 . 1 . 1 151 151 VAL HG23 H 1 0.879 0.000 . 2 . . . . A 471 VAL HG23 . 34940 1 23 . 1 . 1 151 151 VAL CG1 C 13 25.057 0.000 . 1 . . . . A 471 VAL CG1 . 34940 1 24 . 1 . 1 151 151 VAL CG2 C 13 23.187 0.000 . 1 . . . . A 471 VAL CG2 . 34940 1 25 . 1 . 1 156 156 LEU HD11 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD11 . 34940 1 26 . 1 . 1 156 156 LEU HD12 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD12 . 34940 1 27 . 1 . 1 156 156 LEU HD13 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD13 . 34940 1 28 . 1 . 1 156 156 LEU HD21 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD21 . 34940 1 29 . 1 . 1 156 156 LEU HD22 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD22 . 34940 1 30 . 1 . 1 156 156 LEU HD23 H 1 0.865 0.002 . 2 . . . . A 476 LEU HD23 . 34940 1 31 . 1 . 1 156 156 LEU CD1 C 13 23.927 0.008 . 1 . . . . A 476 LEU CD1 . 34940 1 32 . 1 . 1 156 156 LEU CD2 C 13 23.927 0.008 . 1 . . . . A 476 LEU CD2 . 34940 1 33 . 1 . 1 159 159 VAL HG11 H 1 0.853 0.002 . 2 . . . . A 479 VAL HG11 . 34940 1 34 . 1 . 1 159 159 VAL HG12 H 1 0.853 0.002 . 2 . . . . A 479 VAL HG12 . 34940 1 35 . 1 . 1 159 159 VAL HG13 H 1 0.853 0.002 . 2 . . . . A 479 VAL HG13 . 34940 1 36 . 1 . 1 159 159 VAL HG21 H 1 0.795 0.000 . 2 . . . . A 479 VAL HG21 . 34940 1 37 . 1 . 1 159 159 VAL HG22 H 1 0.795 0.000 . 2 . . . . A 479 VAL HG22 . 34940 1 38 . 1 . 1 159 159 VAL HG23 H 1 0.795 0.000 . 2 . . . . A 479 VAL HG23 . 34940 1 39 . 1 . 1 159 159 VAL CG1 C 13 23.042 0.124 . 1 . . . . A 479 VAL CG1 . 34940 1 40 . 1 . 1 159 159 VAL CG2 C 13 22.041 0.000 . 1 . . . . A 479 VAL CG2 . 34940 1 41 . 1 . 1 161 161 LEU HD11 H 1 0.957 0.000 . 2 . . . . A 481 LEU HD11 . 34940 1 42 . 1 . 1 161 161 LEU HD12 H 1 0.957 0.000 . 2 . . . . A 481 LEU HD12 . 34940 1 43 . 1 . 1 161 161 LEU HD13 H 1 0.957 0.000 . 2 . . . . A 481 LEU HD13 . 34940 1 44 . 1 . 1 161 161 LEU HD21 H 1 1.147 0.000 . 2 . . . . A 481 LEU HD21 . 34940 1 45 . 1 . 1 161 161 LEU HD22 H 1 1.147 0.000 . 2 . . . . A 481 LEU HD22 . 34940 1 46 . 1 . 1 161 161 LEU HD23 H 1 1.147 0.000 . 2 . . . . A 481 LEU HD23 . 34940 1 47 . 1 . 1 161 161 LEU CD1 C 13 24.638 0.000 . 1 . . . . A 481 LEU CD1 . 34940 1 48 . 1 . 1 161 161 LEU CD2 C 13 27.144 0.000 . 1 . . . . A 481 LEU CD2 . 34940 1 49 . 1 . 1 166 166 ILE HD11 H 1 0.520 0.002 . 1 . . . . A 486 ILE HD11 . 34940 1 50 . 1 . 1 166 166 ILE HD12 H 1 0.520 0.002 . 1 . . . . A 486 ILE HD12 . 34940 1 51 . 1 . 1 166 166 ILE HD13 H 1 0.520 0.002 . 1 . . . . A 486 ILE HD13 . 34940 1 52 . 1 . 1 166 166 ILE CD1 C 13 13.878 0.000 . 1 . . . . A 486 ILE CD1 . 34940 1 53 . 1 . 1 170 170 VAL HG11 H 1 0.716 0.000 . 2 . . . . A 490 VAL HG11 . 34940 1 54 . 1 . 1 170 170 VAL HG12 H 1 0.716 0.000 . 2 . . . . A 490 VAL HG12 . 34940 1 55 . 1 . 1 170 170 VAL HG13 H 1 0.716 0.000 . 2 . . . . A 490 VAL HG13 . 34940 1 56 . 1 . 1 170 170 VAL HG21 H 1 0.742 0.000 . 2 . . . . A 490 VAL HG21 . 34940 1 57 . 1 . 1 170 170 VAL HG22 H 1 0.742 0.000 . 2 . . . . A 490 VAL HG22 . 34940 1 58 . 1 . 1 170 170 VAL HG23 H 1 0.742 0.000 . 2 . . . . A 490 VAL HG23 . 34940 1 59 . 1 . 1 170 170 VAL CG1 C 13 25.113 0.000 . 1 . . . . A 490 VAL CG1 . 34940 1 60 . 1 . 1 170 170 VAL CG2 C 13 24.159 0.000 . 1 . . . . A 490 VAL CG2 . 34940 1 61 . 1 . 1 174 174 LEU HD11 H 1 0.267 0.000 . 2 . . . . A 494 LEU HD11 . 34940 1 62 . 1 . 1 174 174 LEU HD12 H 1 0.267 0.000 . 2 . . . . A 494 LEU HD12 . 34940 1 63 . 1 . 1 174 174 LEU HD13 H 1 0.267 0.000 . 2 . . . . A 494 LEU HD13 . 34940 1 64 . 1 . 1 174 174 LEU HD21 H 1 0.513 0.000 . 2 . . . . A 494 LEU HD21 . 34940 1 65 . 1 . 1 174 174 LEU HD22 H 1 0.513 0.000 . 2 . . . . A 494 LEU HD22 . 34940 1 66 . 1 . 1 174 174 LEU HD23 H 1 0.513 0.000 . 2 . . . . A 494 LEU HD23 . 34940 1 67 . 1 . 1 174 174 LEU CD1 C 13 23.481 0.000 . 1 . . . . A 494 LEU CD1 . 34940 1 68 . 1 . 1 174 174 LEU CD2 C 13 26.238 0.000 . 1 . . . . A 494 LEU CD2 . 34940 1 69 . 1 . 1 177 177 LEU HD11 H 1 -0.032 0.000 . 2 . . . . A 497 LEU HD11 . 34940 1 70 . 1 . 1 177 177 LEU HD12 H 1 -0.032 0.000 . 2 . . . . A 497 LEU HD12 . 34940 1 71 . 1 . 1 177 177 LEU HD13 H 1 -0.032 0.000 . 2 . . . . A 497 LEU HD13 . 34940 1 72 . 1 . 1 177 177 LEU HD21 H 1 0.419 0.000 . 2 . . . . A 497 LEU HD21 . 34940 1 73 . 1 . 1 177 177 LEU HD22 H 1 0.419 0.000 . 2 . . . . A 497 LEU HD22 . 34940 1 74 . 1 . 1 177 177 LEU HD23 H 1 0.419 0.000 . 2 . . . . A 497 LEU HD23 . 34940 1 75 . 1 . 1 177 177 LEU CD1 C 13 26.624 0.000 . 1 . . . . A 497 LEU CD1 . 34940 1 76 . 1 . 1 177 177 LEU CD2 C 13 24.105 0.000 . 1 . . . . A 497 LEU CD2 . 34940 1 77 . 1 . 1 188 188 VAL HG11 H 1 0.982 0.000 . 2 . . . . A 508 VAL HG11 . 34940 1 78 . 1 . 1 188 188 VAL HG12 H 1 0.982 0.000 . 2 . . . . A 508 VAL HG12 . 34940 1 79 . 1 . 1 188 188 VAL HG13 H 1 0.982 0.000 . 2 . . . . A 508 VAL HG13 . 34940 1 80 . 1 . 1 188 188 VAL HG21 H 1 0.791 0.000 . 2 . . . . A 508 VAL HG21 . 34940 1 81 . 1 . 1 188 188 VAL HG22 H 1 0.791 0.000 . 2 . . . . A 508 VAL HG22 . 34940 1 82 . 1 . 1 188 188 VAL HG23 H 1 0.791 0.000 . 2 . . . . A 508 VAL HG23 . 34940 1 83 . 1 . 1 188 188 VAL CG1 C 13 24.467 0.000 . 1 . . . . A 508 VAL CG1 . 34940 1 84 . 1 . 1 188 188 VAL CG2 C 13 21.777 0.000 . 1 . . . . A 508 VAL CG2 . 34940 1 85 . 1 . 1 195 195 LEU HD11 H 1 -0.762 0.000 . 2 . . . . A 515 LEU HD11 . 34940 1 86 . 1 . 1 195 195 LEU HD12 H 1 -0.762 0.000 . 2 . . . . A 515 LEU HD12 . 34940 1 87 . 1 . 1 195 195 LEU HD13 H 1 -0.762 0.000 . 2 . . . . A 515 LEU HD13 . 34940 1 88 . 1 . 1 195 195 LEU HD21 H 1 -0.138 0.000 . 2 . . . . A 515 LEU HD21 . 34940 1 89 . 1 . 1 195 195 LEU HD22 H 1 -0.138 0.000 . 2 . . . . A 515 LEU HD22 . 34940 1 90 . 1 . 1 195 195 LEU HD23 H 1 -0.138 0.000 . 2 . . . . A 515 LEU HD23 . 34940 1 91 . 1 . 1 195 195 LEU CD1 C 13 26.066 0.000 . 1 . . . . A 515 LEU CD1 . 34940 1 92 . 1 . 1 195 195 LEU CD2 C 13 23.331 0.000 . 1 . . . . A 515 LEU CD2 . 34940 1 93 . 1 . 1 197 197 VAL HG11 H 1 0.937 0.000 . 2 . . . . A 517 VAL HG11 . 34940 1 94 . 1 . 1 197 197 VAL HG12 H 1 0.937 0.000 . 2 . . . . A 517 VAL HG12 . 34940 1 95 . 1 . 1 197 197 VAL HG13 H 1 0.937 0.000 . 2 . . . . A 517 VAL HG13 . 34940 1 96 . 1 . 1 197 197 VAL HG21 H 1 0.836 0.000 . 2 . . . . A 517 VAL HG21 . 34940 1 97 . 1 . 1 197 197 VAL HG22 H 1 0.836 0.000 . 2 . . . . A 517 VAL HG22 . 34940 1 98 . 1 . 1 197 197 VAL HG23 H 1 0.836 0.000 . 2 . . . . A 517 VAL HG23 . 34940 1 99 . 1 . 1 197 197 VAL CG1 C 13 22.919 0.000 . 1 . . . . A 517 VAL CG1 . 34940 1 100 . 1 . 1 197 197 VAL CG2 C 13 21.808 0.000 . 1 . . . . A 517 VAL CG2 . 34940 1 101 . 1 . 1 222 222 VAL HG11 H 1 0.734 0.000 . 2 . . . . A 542 VAL HG11 . 34940 1 102 . 1 . 1 222 222 VAL HG12 H 1 0.734 0.000 . 2 . . . . A 542 VAL HG12 . 34940 1 103 . 1 . 1 222 222 VAL HG13 H 1 0.734 0.000 . 2 . . . . A 542 VAL HG13 . 34940 1 104 . 1 . 1 222 222 VAL HG21 H 1 0.937 0.000 . 2 . . . . A 542 VAL HG21 . 34940 1 105 . 1 . 1 222 222 VAL HG22 H 1 0.937 0.000 . 2 . . . . A 542 VAL HG22 . 34940 1 106 . 1 . 1 222 222 VAL HG23 H 1 0.937 0.000 . 2 . . . . A 542 VAL HG23 . 34940 1 107 . 1 . 1 222 222 VAL CG1 C 13 21.881 0.000 . 1 . . . . A 542 VAL CG1 . 34940 1 108 . 1 . 1 222 222 VAL CG2 C 13 24.111 0.000 . 1 . . . . A 542 VAL CG2 . 34940 1 109 . 1 . 1 256 256 VAL HG11 H 1 0.787 0.000 . 2 . . . . A 576 VAL HG11 . 34940 1 110 . 1 . 1 256 256 VAL HG12 H 1 0.787 0.000 . 2 . . . . A 576 VAL HG12 . 34940 1 111 . 1 . 1 256 256 VAL HG13 H 1 0.787 0.000 . 2 . . . . A 576 VAL HG13 . 34940 1 112 . 1 . 1 256 256 VAL HG21 H 1 -0.257 0.000 . 2 . . . . A 576 VAL HG21 . 34940 1 113 . 1 . 1 256 256 VAL HG22 H 1 -0.257 0.000 . 2 . . . . A 576 VAL HG22 . 34940 1 114 . 1 . 1 256 256 VAL HG23 H 1 -0.257 0.000 . 2 . . . . A 576 VAL HG23 . 34940 1 115 . 1 . 1 256 256 VAL CG1 C 13 24.588 0.000 . 1 . . . . A 576 VAL CG1 . 34940 1 116 . 1 . 1 256 256 VAL CG2 C 13 20.491 0.000 . 1 . . . . A 576 VAL CG2 . 34940 1 117 . 2 . 2 1 1 LYS HA H 1 4.240 0.000 . 1 . . . . B 237 LYS HA . 34940 1 118 . 2 . 2 1 1 LYS HB2 H 1 1.758 0.018 . 2 . . . . B 237 LYS HB2 . 34940 1 119 . 2 . 2 1 1 LYS HB3 H 1 1.681 0.000 . 2 . . . . B 237 LYS HB3 . 34940 1 120 . 2 . 2 1 1 LYS HG2 H 1 1.407 0.000 . 2 . . . . B 237 LYS HG2 . 34940 1 121 . 2 . 2 1 1 LYS HG3 H 1 1.407 0.000 . 2 . . . . B 237 LYS HG3 . 34940 1 122 . 2 . 2 1 1 LYS HD2 H 1 1.647 0.000 . 2 . . . . B 237 LYS HD2 . 34940 1 123 . 2 . 2 1 1 LYS HD3 H 1 1.647 0.000 . 2 . . . . B 237 LYS HD3 . 34940 1 124 . 2 . 2 1 1 LYS HE2 H 1 2.961 0.000 . 2 . . . . B 237 LYS HE2 . 34940 1 125 . 2 . 2 1 1 LYS HE3 H 1 2.961 0.000 . 2 . . . . B 237 LYS HE3 . 34940 1 126 . 2 . 2 1 1 LYS CA C 13 56.124 0.000 . 1 . . . . B 237 LYS CA . 34940 1 127 . 2 . 2 1 1 LYS CB C 13 32.928 0.003 . 1 . . . . B 237 LYS CB . 34940 1 128 . 2 . 2 1 1 LYS CG C 13 24.743 0.000 . 1 . . . . B 237 LYS CG . 34940 1 129 . 2 . 2 1 1 LYS CD C 13 29.250 0.000 . 1 . . . . B 237 LYS CD . 34940 1 130 . 2 . 2 1 1 LYS CE C 13 42.126 0.000 . 1 . . . . B 237 LYS CE . 34940 1 131 . 2 . 2 2 2 ILE HA H 1 4.383 0.007 . 1 . . . . B 238 ILE HA . 34940 1 132 . 2 . 2 2 2 ILE HB H 1 1.787 0.009 . 1 . . . . B 238 ILE HB . 34940 1 133 . 2 . 2 2 2 ILE HG12 H 1 1.420 0.000 . 2 . . . . B 238 ILE HG12 . 34940 1 134 . 2 . 2 2 2 ILE HG13 H 1 1.294 0.186 . 2 . . . . B 238 ILE HG13 . 34940 1 135 . 2 . 2 2 2 ILE HG21 H 1 0.893 0.051 . 1 . . . . B 238 ILE HG21 . 34940 1 136 . 2 . 2 2 2 ILE HG22 H 1 0.893 0.051 . 1 . . . . B 238 ILE HG22 . 34940 1 137 . 2 . 2 2 2 ILE HG23 H 1 0.893 0.051 . 1 . . . . B 238 ILE HG23 . 34940 1 138 . 2 . 2 2 2 ILE HD11 H 1 0.818 0.009 . 1 . . . . B 238 ILE HD11 . 34940 1 139 . 2 . 2 2 2 ILE HD12 H 1 0.818 0.009 . 1 . . . . B 238 ILE HD12 . 34940 1 140 . 2 . 2 2 2 ILE HD13 H 1 0.818 0.009 . 1 . . . . B 238 ILE HD13 . 34940 1 141 . 2 . 2 2 2 ILE CA C 13 58.358 0.000 . 1 . . . . B 238 ILE CA . 34940 1 142 . 2 . 2 2 2 ILE CB C 13 38.630 0.000 . 1 . . . . B 238 ILE CB . 34940 1 143 . 2 . 2 2 2 ILE CG1 C 13 26.828 0.004 . 1 . . . . B 238 ILE CG1 . 34940 1 144 . 2 . 2 2 2 ILE CG2 C 13 17.150 0.000 . 1 . . . . B 238 ILE CG2 . 34940 1 145 . 2 . 2 2 2 ILE CD1 C 13 12.964 0.000 . 1 . . . . B 238 ILE CD1 . 34940 1 146 . 2 . 2 3 3 PRO HA H 1 4.260 0.000 . 1 . . . . B 239 PRO HA . 34940 1 147 . 2 . 2 3 3 PRO HG2 H 1 1.857 0.082 . 2 . . . . B 239 PRO HG2 . 34940 1 148 . 2 . 2 3 3 PRO HG3 H 1 1.849 0.070 . 2 . . . . B 239 PRO HG3 . 34940 1 149 . 2 . 2 3 3 PRO HD2 H 1 3.531 0.000 . 2 . . . . B 239 PRO HD2 . 34940 1 150 . 2 . 2 3 3 PRO HD3 H 1 3.800 0.000 . 2 . . . . B 239 PRO HD3 . 34940 1 151 . 2 . 2 3 3 PRO CA C 13 62.987 0.000 . 1 . . . . B 239 PRO CA . 34940 1 152 . 2 . 2 3 3 PRO CG C 13 27.223 0.001 . 1 . . . . B 239 PRO CG . 34940 1 153 . 2 . 2 3 3 PRO CD C 13 50.912 0.067 . 1 . . . . B 239 PRO CD . 34940 1 154 . 2 . 2 4 4 SER HA H 1 4.223 0.000 . 1 . . . . B 240 SER HA . 34940 1 155 . 2 . 2 4 4 SER HB2 H 1 3.876 0.000 . 2 . . . . B 240 SER HB2 . 34940 1 156 . 2 . 2 4 4 SER HB3 H 1 3.876 0.000 . 2 . . . . B 240 SER HB3 . 34940 1 157 . 2 . 2 4 4 SER CA C 13 59.226 0.000 . 1 . . . . B 240 SER CA . 34940 1 158 . 2 . 2 4 4 SER CB C 13 63.315 0.000 . 1 . . . . B 240 SER CB . 34940 1 159 . 2 . 2 5 5 TRP HA H 1 4.657 0.000 . 1 . . . . B 241 TRP HA . 34940 1 160 . 2 . 2 5 5 TRP HB2 H 1 3.361 0.000 . 2 . . . . B 241 TRP HB2 . 34940 1 161 . 2 . 2 5 5 TRP HB3 H 1 3.250 0.000 . 2 . . . . B 241 TRP HB3 . 34940 1 162 . 2 . 2 5 5 TRP HD1 H 1 7.310 0.031 . 1 . . . . B 241 TRP HD1 . 34940 1 163 . 2 . 2 5 5 TRP HE3 H 1 7.459 0.118 . 1 . . . . B 241 TRP HE3 . 34940 1 164 . 2 . 2 5 5 TRP HZ2 H 1 7.420 0.079 . 1 . . . . B 241 TRP HZ2 . 34940 1 165 . 2 . 2 5 5 TRP HZ3 H 1 7.293 0.048 . 1 . . . . B 241 TRP HZ3 . 34940 1 166 . 2 . 2 5 5 TRP HH2 H 1 7.250 0.091 . 1 . . . . B 241 TRP HH2 . 34940 1 167 . 2 . 2 5 5 TRP CA C 13 56.918 0.000 . 1 . . . . B 241 TRP CA . 34940 1 168 . 2 . 2 5 5 TRP CB C 13 29.041 0.000 . 1 . . . . B 241 TRP CB . 34940 1 169 . 2 . 2 5 5 TRP CD1 C 13 127.419 0.000 . 1 . . . . B 241 TRP CD1 . 34940 1 170 . 2 . 2 5 5 TRP CE3 C 13 120.955 0.000 . 1 . . . . B 241 TRP CE3 . 34940 1 171 . 2 . 2 5 5 TRP CZ2 C 13 114.692 0.000 . 1 . . . . B 241 TRP CZ2 . 34940 1 172 . 2 . 2 5 5 TRP CZ3 C 13 124.879 0.000 . 1 . . . . B 241 TRP CZ3 . 34940 1 173 . 2 . 2 5 5 TRP CH2 C 13 122.272 0.000 . 1 . . . . B 241 TRP CH2 . 34940 1 174 . 2 . 2 6 6 GLN HA H 1 4.187 0.000 . 1 . . . . B 242 GLN HA . 34940 1 175 . 2 . 2 6 6 GLN HB2 H 1 1.670 0.106 . 2 . . . . B 242 GLN HB2 . 34940 1 176 . 2 . 2 6 6 GLN HB3 H 1 1.803 0.025 . 2 . . . . B 242 GLN HB3 . 34940 1 177 . 2 . 2 6 6 GLN HG2 H 1 1.998 0.000 . 2 . . . . B 242 GLN HG2 . 34940 1 178 . 2 . 2 6 6 GLN HG3 H 1 1.826 0.032 . 2 . . . . B 242 GLN HG3 . 34940 1 179 . 2 . 2 6 6 GLN CA C 13 55.470 0.000 . 1 . . . . B 242 GLN CA . 34940 1 180 . 2 . 2 6 6 GLN CB C 13 29.524 0.003 . 1 . . . . B 242 GLN CB . 34940 1 181 . 2 . 2 6 6 GLN CG C 13 33.598 0.012 . 1 . . . . B 242 GLN CG . 34940 1 182 . 2 . 2 7 7 ILE HA H 1 4.261 0.000 . 1 . . . . B 243 ILE HA . 34940 1 183 . 2 . 2 7 7 ILE HB H 1 1.793 0.011 . 1 . . . . B 243 ILE HB . 34940 1 184 . 2 . 2 7 7 ILE HG12 H 1 1.488 0.007 . 2 . . . . B 243 ILE HG12 . 34940 1 185 . 2 . 2 7 7 ILE HG13 H 1 1.124 0.000 . 2 . . . . B 243 ILE HG13 . 34940 1 186 . 2 . 2 7 7 ILE HG21 H 1 0.903 0.054 . 1 . . . . B 243 ILE HG21 . 34940 1 187 . 2 . 2 7 7 ILE HG22 H 1 0.903 0.054 . 1 . . . . B 243 ILE HG22 . 34940 1 188 . 2 . 2 7 7 ILE HG23 H 1 0.903 0.054 . 1 . . . . B 243 ILE HG23 . 34940 1 189 . 2 . 2 7 7 ILE HD11 H 1 0.844 0.017 . 1 . . . . B 243 ILE HD11 . 34940 1 190 . 2 . 2 7 7 ILE HD12 H 1 0.844 0.017 . 1 . . . . B 243 ILE HD12 . 34940 1 191 . 2 . 2 7 7 ILE HD13 H 1 0.844 0.017 . 1 . . . . B 243 ILE HD13 . 34940 1 192 . 2 . 2 7 7 ILE CA C 13 58.994 0.000 . 1 . . . . B 243 ILE CA . 34940 1 193 . 2 . 2 7 7 ILE CB C 13 38.572 0.000 . 1 . . . . B 243 ILE CB . 34940 1 194 . 2 . 2 7 7 ILE CG1 C 13 27.197 0.024 . 1 . . . . B 243 ILE CG1 . 34940 1 195 . 2 . 2 7 7 ILE CG2 C 13 17.068 0.000 . 1 . . . . B 243 ILE CG2 . 34940 1 196 . 2 . 2 7 7 ILE CD1 C 13 12.900 0.000 . 1 . . . . B 243 ILE CD1 . 34940 1 197 . 2 . 2 8 8 PRO HA H 1 4.382 0.006 . 1 . . . . B 244 PRO HA . 34940 1 198 . 2 . 2 8 8 PRO HB2 H 1 1.939 0.215 . 2 . . . . B 244 PRO HB2 . 34940 1 199 . 2 . 2 8 8 PRO HB3 H 1 1.799 0.019 . 2 . . . . B 244 PRO HB3 . 34940 1 200 . 2 . 2 8 8 PRO HD2 H 1 3.874 0.000 . 2 . . . . B 244 PRO HD2 . 34940 1 201 . 2 . 2 8 8 PRO HD3 H 1 3.667 0.000 . 2 . . . . B 244 PRO HD3 . 34940 1 202 . 2 . 2 8 8 PRO CA C 13 63.232 0.000 . 1 . . . . B 244 PRO CA . 34940 1 203 . 2 . 2 8 8 PRO CB C 13 32.258 0.025 . 1 . . . . B 244 PRO CB . 34940 1 204 . 2 . 2 8 8 PRO CD C 13 51.130 0.012 . 1 . . . . B 244 PRO CD . 34940 1 205 . 2 . 2 9 9 VAL HA H 1 4.030 0.000 . 1 . . . . B 245 VAL HA . 34940 1 206 . 2 . 2 9 9 VAL HB H 1 2.018 0.000 . 1 . . . . B 245 VAL HB . 34940 1 207 . 2 . 2 9 9 VAL HG11 H 1 0.944 0.006 . 2 . . . . B 245 VAL HG11 . 34940 1 208 . 2 . 2 9 9 VAL HG12 H 1 0.944 0.006 . 2 . . . . B 245 VAL HG12 . 34940 1 209 . 2 . 2 9 9 VAL HG13 H 1 0.944 0.006 . 2 . . . . B 245 VAL HG13 . 34940 1 210 . 2 . 2 9 9 VAL HG21 H 1 0.933 0.017 . 2 . . . . B 245 VAL HG21 . 34940 1 211 . 2 . 2 9 9 VAL HG22 H 1 0.933 0.017 . 2 . . . . B 245 VAL HG22 . 34940 1 212 . 2 . 2 9 9 VAL HG23 H 1 0.933 0.017 . 2 . . . . B 245 VAL HG23 . 34940 1 213 . 2 . 2 9 9 VAL CA C 13 62.253 0.000 . 1 . . . . B 245 VAL CA . 34940 1 214 . 2 . 2 9 9 VAL CB C 13 33.008 0.000 . 1 . . . . B 245 VAL CB . 34940 1 215 . 2 . 2 9 9 VAL CG1 C 13 20.662 0.000 . 1 . . . . B 245 VAL CG1 . 34940 1 216 . 2 . 2 9 9 VAL CG2 C 13 21.143 0.000 . 1 . . . . B 245 VAL CG2 . 34940 1 stop_ save_