################################### # 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 34756 _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 NOESY' . . . 34756 1 2 '2D TOCSY' . . . 34756 1 3 '2D 1H-13C HSQC aliphatic' . . . 34756 1 4 '2D 1H-13C HSQC aromatic' . . . 34756 1 5 '3D 1H-15N NOESY' . . . 34756 1 6 '3D HCCH-TOCSY' . . . 34756 1 7 '3D 1H-13C NOESY' . . . 34756 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 4.033 0.020 . 1 . . . . A 1 SER HA . 34756 1 2 . 1 . 1 1 1 SER HB2 H 1 3.873 0.020 . 2 . . . . A 1 SER HB2 . 34756 1 3 . 1 . 1 1 1 SER HB3 H 1 3.707 0.020 . 2 . . . . A 1 SER HB3 . 34756 1 4 . 1 . 1 2 2 PRO HA H 1 4.751 0.020 . 1 . . . . A 2 PRO HA . 34756 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.203 0.020 . 2 . . . . A 2 PRO HB2 . 34756 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.810 0.020 . 2 . . . . A 2 PRO HB3 . 34756 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.962 0.020 . 2 . . . . A 2 PRO HG2 . 34756 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.962 0.020 . 2 . . . . A 2 PRO HG3 . 34756 1 9 . 1 . 1 2 2 PRO CB C 13 34.447 0.400 . 1 . . . . A 2 PRO CB . 34756 1 10 . 1 . 1 2 2 PRO CG C 13 29.483 0.400 . 1 . . . . A 2 PRO CG . 34756 1 11 . 1 . 1 3 3 ARG H H 1 8.190 0.020 . 1 . . . . A 3 ARG H . 34756 1 12 . 1 . 1 3 3 ARG HA H 1 4.766 0.020 . 1 . . . . A 3 ARG HA . 34756 1 13 . 1 . 1 3 3 ARG HG3 H 1 1.666 0.020 . 2 . . . . A 3 ARG HG3 . 34756 1 14 . 1 . 1 3 3 ARG HE H 1 7.351 0.020 . 1 . . . . A 3 ARG HE . 34756 1 15 . 1 . 1 3 3 ARG CG C 13 29.497 0.400 . 1 . . . . A 3 ARG CG . 34756 1 16 . 1 . 1 3 3 ARG N N 15 121.630 0.400 . 1 . . . . A 3 ARG N . 34756 1 17 . 1 . 1 4 4 VAL H H 1 8.374 0.020 . 1 . . . . A 4 VAL H . 34756 1 18 . 1 . 1 4 4 VAL HA H 1 5.351 0.020 . 1 . . . . A 4 VAL HA . 34756 1 19 . 1 . 1 4 4 VAL HB H 1 2.079 0.020 . 1 . . . . A 4 VAL HB . 34756 1 20 . 1 . 1 4 4 VAL HG11 H 1 0.981 0.020 . 2 . . . . A 4 VAL HG11 . 34756 1 21 . 1 . 1 4 4 VAL HG12 H 1 0.981 0.020 . 2 . . . . A 4 VAL HG12 . 34756 1 22 . 1 . 1 4 4 VAL HG13 H 1 0.981 0.020 . 2 . . . . A 4 VAL HG13 . 34756 1 23 . 1 . 1 4 4 VAL HG21 H 1 1.069 0.020 . 2 . . . . A 4 VAL HG21 . 34756 1 24 . 1 . 1 4 4 VAL HG22 H 1 1.069 0.020 . 2 . . . . A 4 VAL HG22 . 34756 1 25 . 1 . 1 4 4 VAL HG23 H 1 1.069 0.020 . 2 . . . . A 4 VAL HG23 . 34756 1 26 . 1 . 1 4 4 VAL CB C 13 36.784 0.400 . 1 . . . . A 4 VAL CB . 34756 1 27 . 1 . 1 4 4 VAL CG1 C 13 23.950 0.400 . 2 . . . . A 4 VAL CG1 . 34756 1 28 . 1 . 1 4 4 VAL CG2 C 13 23.332 0.400 . 2 . . . . A 4 VAL CG2 . 34756 1 29 . 1 . 1 4 4 VAL N N 15 120.113 0.400 . 1 . . . . A 4 VAL N . 34756 1 30 . 1 . 1 5 5 CYS H H 1 8.431 0.020 . 1 . . . . A 5 CYS H . 34756 1 31 . 1 . 1 5 5 CYS HA H 1 5.638 0.020 . 1 . . . . A 5 CYS HA . 34756 1 32 . 1 . 1 5 5 CYS HB2 H 1 2.640 0.020 . 2 . . . . A 5 CYS HB2 . 34756 1 33 . 1 . 1 5 5 CYS HB3 H 1 3.027 0.020 . 2 . . . . A 5 CYS HB3 . 34756 1 34 . 1 . 1 5 5 CYS CB C 13 50.739 0.400 . 1 . . . . A 5 CYS CB . 34756 1 35 . 1 . 1 5 5 CYS N N 15 122.899 0.400 . 1 . . . . A 5 CYS N . 34756 1 36 . 1 . 1 6 6 ILE H H 1 8.958 0.020 . 1 . . . . A 6 ILE H . 34756 1 37 . 1 . 1 6 6 ILE HA H 1 5.242 0.020 . 1 . . . . A 6 ILE HA . 34756 1 38 . 1 . 1 6 6 ILE HB H 1 1.823 0.020 . 1 . . . . A 6 ILE HB . 34756 1 39 . 1 . 1 6 6 ILE CB C 13 33.830 0.400 . 1 . . . . A 6 ILE CB . 34756 1 40 . 1 . 1 6 6 ILE N N 15 118.967 0.400 . 1 . . . . A 6 ILE N . 34756 1 41 . 1 . 1 7 7 ARG H H 1 8.182 0.020 . 1 . . . . A 7 ARG H . 34756 1 42 . 1 . 1 7 7 ARG HA H 1 5.387 0.020 . 1 . . . . A 7 ARG HA . 34756 1 43 . 1 . 1 7 7 ARG HB2 H 1 1.516 0.020 . 2 . . . . A 7 ARG HB2 . 34756 1 44 . 1 . 1 7 7 ARG HB3 H 1 1.797 0.020 . 2 . . . . A 7 ARG HB3 . 34756 1 45 . 1 . 1 7 7 ARG HD2 H 1 3.092 0.020 . 2 . . . . A 7 ARG HD2 . 34756 1 46 . 1 . 1 7 7 ARG HD3 H 1 3.092 0.020 . 2 . . . . A 7 ARG HD3 . 34756 1 47 . 1 . 1 7 7 ARG CB C 13 34.421 0.400 . 1 . . . . A 7 ARG CB . 34756 1 48 . 1 . 1 7 7 ARG CD C 13 46.022 0.400 . 1 . . . . A 7 ARG CD . 34756 1 49 . 1 . 1 7 7 ARG N N 15 125.385 0.400 . 1 . . . . A 7 ARG N . 34756 1 50 . 1 . 1 8 8 VAL H H 1 8.776 0.020 . 1 . . . . A 8 VAL H . 34756 1 51 . 1 . 1 8 8 VAL HA H 1 5.334 0.020 . 1 . . . . A 8 VAL HA . 34756 1 52 . 1 . 1 8 8 VAL HB H 1 2.047 0.020 . 1 . . . . A 8 VAL HB . 34756 1 53 . 1 . 1 8 8 VAL HG11 H 1 0.968 0.020 . 2 . . . . A 8 VAL HG11 . 34756 1 54 . 1 . 1 8 8 VAL HG12 H 1 0.968 0.020 . 2 . . . . A 8 VAL HG12 . 34756 1 55 . 1 . 1 8 8 VAL HG13 H 1 0.968 0.020 . 2 . . . . A 8 VAL HG13 . 34756 1 56 . 1 . 1 8 8 VAL HG21 H 1 1.049 0.020 . 2 . . . . A 8 VAL HG21 . 34756 1 57 . 1 . 1 8 8 VAL HG22 H 1 1.049 0.020 . 2 . . . . A 8 VAL HG22 . 34756 1 58 . 1 . 1 8 8 VAL HG23 H 1 1.049 0.020 . 2 . . . . A 8 VAL HG23 . 34756 1 59 . 1 . 1 8 8 VAL CB C 13 37.322 0.400 . 1 . . . . A 8 VAL CB . 34756 1 60 . 1 . 1 8 8 VAL CG1 C 13 22.929 0.400 . 2 . . . . A 8 VAL CG1 . 34756 1 61 . 1 . 1 8 8 VAL CG2 C 13 23.359 0.400 . 2 . . . . A 8 VAL CG2 . 34756 1 62 . 1 . 1 8 8 VAL N N 15 123.366 0.400 . 1 . . . . A 8 VAL N . 34756 1 63 . 1 . 1 9 9 CYS H H 1 8.751 0.020 . 1 . . . . A 9 CYS H . 34756 1 64 . 1 . 1 9 9 CYS HA H 1 5.806 0.020 . 1 . . . . A 9 CYS HA . 34756 1 65 . 1 . 1 9 9 CYS HB2 H 1 2.729 0.020 . 2 . . . . A 9 CYS HB2 . 34756 1 66 . 1 . 1 9 9 CYS HB3 H 1 3.127 0.020 . 2 . . . . A 9 CYS HB3 . 34756 1 67 . 1 . 1 9 9 CYS CB C 13 39.684 0.400 . 1 . . . . A 9 CYS CB . 34756 1 68 . 1 . 1 9 9 CYS N N 15 123.949 0.400 . 1 . . . . A 9 CYS N . 34756 1 69 . 1 . 1 10 10 ARG H H 1 9.025 0.020 . 1 . . . . A 10 ARG H . 34756 1 70 . 1 . 1 10 10 ARG HA H 1 4.517 0.020 . 1 . . . . A 10 ARG HA . 34756 1 71 . 1 . 1 10 10 ARG HB2 H 1 1.836 0.020 . 2 . . . . A 10 ARG HB2 . 34756 1 72 . 1 . 1 10 10 ARG HB3 H 1 1.681 0.020 . 2 . . . . A 10 ARG HB3 . 34756 1 73 . 1 . 1 10 10 ARG HG2 H 1 1.584 0.020 . 2 . . . . A 10 ARG HG2 . 34756 1 74 . 1 . 1 10 10 ARG HG3 H 1 1.542 0.020 . 2 . . . . A 10 ARG HG3 . 34756 1 75 . 1 . 1 10 10 ARG HD2 H 1 3.148 0.020 . 2 . . . . A 10 ARG HD2 . 34756 1 76 . 1 . 1 10 10 ARG HD3 H 1 3.148 0.020 . 2 . . . . A 10 ARG HD3 . 34756 1 77 . 1 . 1 10 10 ARG HE H 1 7.719 0.020 . 1 . . . . A 10 ARG HE . 34756 1 78 . 1 . 1 10 10 ARG CB C 13 35.522 0.400 . 1 . . . . A 10 ARG CB . 34756 1 79 . 1 . 1 10 10 ARG CG C 13 29.451 0.400 . 1 . . . . A 10 ARG CG . 34756 1 80 . 1 . 1 10 10 ARG CD C 13 45.651 0.400 . 1 . . . . A 10 ARG CD . 34756 1 81 . 1 . 1 10 10 ARG N N 15 122.022 0.400 . 1 . . . . A 10 ARG N . 34756 1 82 . 1 . 1 11 11 ASN H H 1 9.544 0.020 . 1 . . . . A 11 ASN H . 34756 1 83 . 1 . 1 11 11 ASN HA H 1 4.374 0.020 . 1 . . . . A 11 ASN HA . 34756 1 84 . 1 . 1 11 11 ASN HD21 H 1 7.621 0.020 . 2 . . . . A 11 ASN HD21 . 34756 1 85 . 1 . 1 11 11 ASN HD22 H 1 6.874 0.020 . 2 . . . . A 11 ASN HD22 . 34756 1 86 . 1 . 1 11 11 ASN N N 15 124.695 0.400 . 1 . . . . A 11 ASN N . 34756 1 87 . 1 . 1 11 11 ASN ND2 N 15 112.555 0.400 . 1 . . . . A 11 ASN ND2 . 34756 1 88 . 1 . 1 12 12 GLY H H 1 8.621 0.020 . 1 . . . . A 12 GLY H . 34756 1 89 . 1 . 1 12 12 GLY N N 15 103.690 0.400 . 1 . . . . A 12 GLY N . 34756 1 90 . 1 . 1 13 13 VAL H H 1 7.722 0.020 . 1 . . . . A 13 VAL H . 34756 1 91 . 1 . 1 13 13 VAL HA H 1 4.201 0.020 . 1 . . . . A 13 VAL HA . 34756 1 92 . 1 . 1 13 13 VAL HB H 1 2.056 0.020 . 1 . . . . A 13 VAL HB . 34756 1 93 . 1 . 1 13 13 VAL HG11 H 1 0.913 0.020 . 2 . . . . A 13 VAL HG11 . 34756 1 94 . 1 . 1 13 13 VAL HG12 H 1 0.913 0.020 . 2 . . . . A 13 VAL HG12 . 34756 1 95 . 1 . 1 13 13 VAL HG13 H 1 0.913 0.020 . 2 . . . . A 13 VAL HG13 . 34756 1 96 . 1 . 1 13 13 VAL HG21 H 1 0.781 0.020 . 2 . . . . A 13 VAL HG21 . 34756 1 97 . 1 . 1 13 13 VAL HG22 H 1 0.781 0.020 . 2 . . . . A 13 VAL HG22 . 34756 1 98 . 1 . 1 13 13 VAL HG23 H 1 0.781 0.020 . 2 . . . . A 13 VAL HG23 . 34756 1 99 . 1 . 1 13 13 VAL CA C 13 63.547 0.400 . 1 . . . . A 13 VAL CA . 34756 1 100 . 1 . 1 13 13 VAL CB C 13 35.871 0.400 . 1 . . . . A 13 VAL CB . 34756 1 101 . 1 . 1 13 13 VAL CG1 C 13 22.894 0.400 . 2 . . . . A 13 VAL CG1 . 34756 1 102 . 1 . 1 13 13 VAL CG2 C 13 17.563 0.400 . 2 . . . . A 13 VAL CG2 . 34756 1 103 . 1 . 1 13 13 VAL N N 15 122.142 0.400 . 1 . . . . A 13 VAL N . 34756 1 104 . 1 . 1 14 14 CYS H H 1 8.296 0.020 . 1 . . . . A 14 CYS H . 34756 1 105 . 1 . 1 14 14 CYS HA H 1 5.486 0.020 . 1 . . . . A 14 CYS HA . 34756 1 106 . 1 . 1 14 14 CYS HB2 H 1 2.892 0.020 . 2 . . . . A 14 CYS HB2 . 34756 1 107 . 1 . 1 14 14 CYS HB3 H 1 2.504 0.020 . 2 . . . . A 14 CYS HB3 . 34756 1 108 . 1 . 1 14 14 CYS CB C 13 49.626 0.400 . 1 . . . . A 14 CYS CB . 34756 1 109 . 1 . 1 14 14 CYS N N 15 121.772 0.400 . 1 . . . . A 14 CYS N . 34756 1 110 . 1 . 1 15 15 TYR H H 1 9.165 0.020 . 1 . . . . A 15 TYR H . 34756 1 111 . 1 . 1 15 15 TYR HA H 1 4.690 0.020 . 1 . . . . A 15 TYR HA . 34756 1 112 . 1 . 1 15 15 TYR HB2 H 1 2.937 0.020 . 2 . . . . A 15 TYR HB2 . 34756 1 113 . 1 . 1 15 15 TYR HB3 H 1 2.789 0.020 . 2 . . . . A 15 TYR HB3 . 34756 1 114 . 1 . 1 15 15 TYR HD1 H 1 7.048 0.020 . 1 . . . . A 15 TYR HD1 . 34756 1 115 . 1 . 1 15 15 TYR HD2 H 1 7.048 0.020 . 1 . . . . A 15 TYR HD2 . 34756 1 116 . 1 . 1 15 15 TYR HE1 H 1 6.695 0.020 . 1 . . . . A 15 TYR HE1 . 34756 1 117 . 1 . 1 15 15 TYR HE2 H 1 6.695 0.020 . 1 . . . . A 15 TYR HE2 . 34756 1 118 . 1 . 1 15 15 TYR CB C 13 43.325 0.400 . 1 . . . . A 15 TYR CB . 34756 1 119 . 1 . 1 15 15 TYR N N 15 123.633 0.400 . 1 . . . . A 15 TYR N . 34756 1 120 . 1 . 1 16 16 ARG H H 1 8.396 0.020 . 1 . . . . A 16 ARG H . 34756 1 121 . 1 . 1 16 16 ARG HA H 1 5.427 0.020 . 1 . . . . A 16 ARG HA . 34756 1 122 . 1 . 1 16 16 ARG HB2 H 1 1.496 0.020 . 2 . . . . A 16 ARG HB2 . 34756 1 123 . 1 . 1 16 16 ARG HB3 H 1 1.697 0.020 . 2 . . . . A 16 ARG HB3 . 34756 1 124 . 1 . 1 16 16 ARG HG2 H 1 1.402 0.020 . 2 . . . . A 16 ARG HG2 . 34756 1 125 . 1 . 1 16 16 ARG HG3 H 1 1.519 0.020 . 2 . . . . A 16 ARG HG3 . 34756 1 126 . 1 . 1 16 16 ARG CB C 13 35.764 0.400 . 1 . . . . A 16 ARG CB . 34756 1 127 . 1 . 1 16 16 ARG N N 15 123.531 0.400 . 1 . . . . A 16 ARG N . 34756 1 128 . 1 . 1 17 17 ARG H H 1 8.466 0.020 . 1 . . . . A 17 ARG H . 34756 1 129 . 1 . 1 17 17 ARG HA H 1 4.342 0.020 . 1 . . . . A 17 ARG HA . 34756 1 130 . 1 . 1 17 17 ARG HB3 H 1 1.017 0.020 . 2 . . . . A 17 ARG HB3 . 34756 1 131 . 1 . 1 17 17 ARG HG2 H 1 1.270 0.020 . 2 . . . . A 17 ARG HG2 . 34756 1 132 . 1 . 1 17 17 ARG HG3 H 1 1.202 0.020 . 2 . . . . A 17 ARG HG3 . 34756 1 133 . 1 . 1 17 17 ARG HD2 H 1 2.996 0.020 . 2 . . . . A 17 ARG HD2 . 34756 1 134 . 1 . 1 17 17 ARG HD3 H 1 2.996 0.020 . 2 . . . . A 17 ARG HD3 . 34756 1 135 . 1 . 1 17 17 ARG HE H 1 7.394 0.020 . 1 . . . . A 17 ARG HE . 34756 1 136 . 1 . 1 17 17 ARG CG C 13 29.403 0.400 . 1 . . . . A 17 ARG CG . 34756 1 137 . 1 . 1 17 17 ARG CD C 13 46.056 0.400 . 1 . . . . A 17 ARG CD . 34756 1 138 . 1 . 1 17 17 ARG N N 15 125.095 0.400 . 1 . . . . A 17 ARG N . 34756 1 139 . 1 . 1 17 17 ARG NE N 15 84.913 0.400 . 1 . . . . A 17 ARG NE . 34756 1 140 . 1 . 1 18 18 CYS H H 1 8.263 0.020 . 1 . . . . A 18 CYS H . 34756 1 141 . 1 . 1 18 18 CYS HA H 1 5.709 0.020 . 1 . . . . A 18 CYS HA . 34756 1 142 . 1 . 1 18 18 CYS HB2 H 1 2.781 0.020 . 2 . . . . A 18 CYS HB2 . 34756 1 143 . 1 . 1 18 18 CYS HB3 H 1 2.781 0.020 . 2 . . . . A 18 CYS HB3 . 34756 1 144 . 1 . 1 18 18 CYS CB C 13 50.898 0.400 . 1 . . . . A 18 CYS CB . 34756 1 145 . 1 . 1 18 18 CYS N N 15 120.408 0.400 . 1 . . . . A 18 CYS N . 34756 1 146 . 1 . 1 19 19 TRP H H 1 9.288 0.020 . 1 . . . . A 19 TRP H . 34756 1 147 . 1 . 1 19 19 TRP HA H 1 4.808 0.020 . 1 . . . . A 19 TRP HA . 34756 1 148 . 1 . 1 19 19 TRP HB2 H 1 3.241 0.020 . 2 . . . . A 19 TRP HB2 . 34756 1 149 . 1 . 1 19 19 TRP HB3 H 1 3.042 0.020 . 2 . . . . A 19 TRP HB3 . 34756 1 150 . 1 . 1 19 19 TRP HD1 H 1 7.357 0.020 . 1 . . . . A 19 TRP HD1 . 34756 1 151 . 1 . 1 19 19 TRP HE1 H 1 10.216 0.020 . 1 . . . . A 19 TRP HE1 . 34756 1 152 . 1 . 1 19 19 TRP HE3 H 1 7.501 0.020 . 1 . . . . A 19 TRP HE3 . 34756 1 153 . 1 . 1 19 19 TRP HZ2 H 1 7.260 0.020 . 1 . . . . A 19 TRP HZ2 . 34756 1 154 . 1 . 1 19 19 TRP HZ3 H 1 6.878 0.020 . 1 . . . . A 19 TRP HZ3 . 34756 1 155 . 1 . 1 19 19 TRP HH2 H 1 6.800 0.020 . 1 . . . . A 19 TRP HH2 . 34756 1 156 . 1 . 1 19 19 TRP CB C 13 34.971 0.400 . 1 . . . . A 19 TRP CB . 34756 1 157 . 1 . 1 19 19 TRP N N 15 123.136 0.400 . 1 . . . . A 19 TRP N . 34756 1 158 . 1 . 1 19 19 TRP NE1 N 15 129.469 0.400 . 1 . . . . A 19 TRP NE1 . 34756 1 159 . 1 . 1 20 20 GLY H H 1 8.314 0.020 . 1 . . . . A 20 GLY H . 34756 1 160 . 1 . 1 20 20 GLY HA2 H 1 4.060 0.020 . 2 . . . . A 20 GLY HA2 . 34756 1 161 . 1 . 1 20 20 GLY HA3 H 1 3.517 0.020 . 2 . . . . A 20 GLY HA3 . 34756 1 162 . 1 . 1 20 20 GLY CA C 13 48.362 0.400 . 1 . . . . A 20 GLY CA . 34756 1 163 . 1 . 1 20 20 GLY N N 15 116.996 0.400 . 1 . . . . A 20 GLY N . 34756 1 stop_ save_