################################### # 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_PPH+Fyn_Assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PPH+Fyn_Assignments _Assigned_chem_shift_list.Entry_ID 19972 _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-15N HSQC' . . . 19972 1 2 '3D HNCO' . . . 19972 1 3 '3D HN(CA)CO' . . . 19972 1 4 '3D CBCA(CO)NH' . . . 19972 1 5 '3D HNCACB' . . . 19972 1 6 '3D HACAN' . . . 19972 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 2 2 GLN H H 1 8.48 0.02 . 1 . . . . . 2 GLN H . 19972 1 2 . 1 1 2 2 GLN HA H 1 4.34 0.02 . 1 . . . . . 2 GLN HA . 19972 1 3 . 1 1 2 2 GLN C C 13 175.7 0.3 . 1 . . . . . 2 GLN C . 19972 1 4 . 1 1 2 2 GLN CA C 13 55.9 0.3 . 1 . . . . . 2 GLN CA . 19972 1 5 . 1 1 2 2 GLN CB C 13 29.4 0.3 . 1 . . . . . 2 GLN CB . 19972 1 6 . 1 1 2 2 GLN N N 15 122.0 0.3 . 1 . . . . . 2 GLN N . 19972 1 7 . 1 1 3 3 HIS H H 1 8.50 0.02 . 1 . . . . . 3 HIS H . 19972 1 8 . 1 1 3 3 HIS HA H 1 4.61 0.02 . 1 . . . . . 3 HIS HA . 19972 1 9 . 1 1 3 3 HIS HB2 H 1 1.99 0.02 . 2 . . . . . 3 HIS HB2 . 19972 1 10 . 1 1 3 3 HIS HB3 H 1 1.90 0.02 . 2 . . . . . 3 HIS HB3 . 19972 1 11 . 1 1 3 3 HIS C C 13 175.4 0.3 . 1 . . . . . 3 HIS C . 19972 1 12 . 1 1 3 3 HIS CA C 13 55.9 0.3 . 1 . . . . . 3 HIS CA . 19972 1 13 . 1 1 3 3 HIS CB C 13 29.7 0.3 . 1 . . . . . 3 HIS CB . 19972 1 14 . 1 1 3 3 HIS N N 15 120.3 0.3 . 1 . . . . . 3 HIS N . 19972 1 15 . 1 1 4 4 GLY H H 1 8.39 0.02 . 1 . . . . . 4 GLY H . 19972 1 16 . 1 1 4 4 GLY HA2 H 1 3.94 0.02 . 2 . . . . . 4 GLY HA2 . 19972 1 17 . 1 1 4 4 GLY HA3 H 1 3.94 0.02 . 2 . . . . . 4 GLY HA3 . 19972 1 18 . 1 1 4 4 GLY C C 13 173.9 0.3 . 1 . . . . . 4 GLY C . 19972 1 19 . 1 1 4 4 GLY CA C 13 45.1 0.3 . 1 . . . . . 4 GLY CA . 19972 1 20 . 1 1 4 4 GLY N N 15 110.4 0.3 . 1 . . . . . 4 GLY N . 19972 1 21 . 1 1 5 5 ARG H H 1 8.31 0.02 . 1 . . . . . 5 ARG H . 19972 1 22 . 1 1 5 5 ARG HA H 1 4.41 0.02 . 1 . . . . . 5 ARG HA . 19972 1 23 . 1 1 5 5 ARG HB2 H 1 1.82 0.02 . 1 . . . . . 5 ARG HB2 . 19972 1 24 . 1 1 5 5 ARG HG2 H 1 1.57 0.02 . 1 . . . . . 5 ARG HG2 . 19972 1 25 . 1 1 5 5 ARG HD2 H 1 3.11 0.02 . 1 . . . . . 5 ARG HD2 . 19972 1 26 . 1 1 5 5 ARG C C 13 176.8 0.3 . 1 . . . . . 5 ARG C . 19972 1 27 . 1 1 5 5 ARG CA C 13 56.0 0.3 . 1 . . . . . 5 ARG CA . 19972 1 28 . 1 1 5 5 ARG CB C 13 30.7 0.3 . 1 . . . . . 5 ARG CB . 19972 1 29 . 1 1 5 5 ARG CG C 13 26.8 0.3 . 1 . . . . . 5 ARG CG . 19972 1 30 . 1 1 5 5 ARG CD C 13 42.8 0.3 . 1 . . . . . 5 ARG CD . 19972 1 31 . 1 1 5 5 ARG N N 15 120.9 0.3 . 1 . . . . . 5 ARG N . 19972 1 32 . 1 1 6 6 THR H H 1 8.31 0.02 . 1 . . . . . 6 THR H . 19972 1 33 . 1 1 6 6 THR HA H 1 4.31 0.02 . 1 . . . . . 6 THR HA . 19972 1 34 . 1 1 6 6 THR HB H 1 4.21 0.02 . 1 . . . . . 6 THR HB . 19972 1 35 . 1 1 6 6 THR HG21 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 36 . 1 1 6 6 THR HG22 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 37 . 1 1 6 6 THR HG23 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 38 . 1 1 6 6 THR C C 13 174.7 0.3 . 1 . . . . . 6 THR C . 19972 1 39 . 1 1 6 6 THR CA C 13 62.1 0.3 . 1 . . . . . 6 THR CA . 19972 1 40 . 1 1 6 6 THR CB C 13 69.6 0.3 . 1 . . . . . 6 THR CB . 19972 1 41 . 1 1 6 6 THR CG2 C 13 21.5 0.3 . 1 . . . . . 6 THR CG2 . 19972 1 42 . 1 1 6 6 THR N N 15 115.8 0.3 . 1 . . . . . 6 THR N . 19972 1 43 . 1 1 7 7 GLN H H 1 8.48 0.02 . 1 . . . . . 7 GLN H . 19972 1 44 . 1 1 7 7 GLN HA H 1 4.34 0.02 . 1 . . . . . 7 GLN HA . 19972 1 45 . 1 1 7 7 GLN C C 13 175.6 0.3 . 1 . . . . . 7 GLN C . 19972 1 46 . 1 1 7 7 GLN CA C 13 56.0 0.3 . 1 . . . . . 7 GLN CA . 19972 1 47 . 1 1 7 7 GLN CB C 13 29.1 0.3 . 1 . . . . . 7 GLN CB . 19972 1 48 . 1 1 7 7 GLN N N 15 122.0 0.3 . 1 . . . . . 7 GLN N . 19972 1 49 . 1 1 8 8 ASP H H 1 8.27 0.02 . 1 . . . . . 8 ASP H . 19972 1 50 . 1 1 8 8 ASP HA H 1 4.55 0.02 . 1 . . . . . 8 ASP HA . 19972 1 51 . 1 1 8 8 ASP HB2 H 1 2.69 0.02 . 2 . . . . . 8 ASP HB2 . 19972 1 52 . 1 1 8 8 ASP HB3 H 1 2.66 0.02 . 2 . . . . . 8 ASP HB3 . 19972 1 53 . 1 1 8 8 ASP C C 13 176.0 0.3 . 1 . . . . . 8 ASP C . 19972 1 54 . 1 1 8 8 ASP CA C 13 54.5 0.3 . 1 . . . . . 8 ASP CA . 19972 1 55 . 1 1 8 8 ASP CB C 13 41.1 0.3 . 1 . . . . . 8 ASP CB . 19972 1 56 . 1 1 8 8 ASP N N 15 121.3 0.3 . 1 . . . . . 8 ASP N . 19972 1 57 . 1 1 9 9 GLU H H 1 8.26 0.02 . 1 . . . . . 9 GLU H . 19972 1 58 . 1 1 9 9 GLU HA H 1 4.23 0.02 . 1 . . . . . 9 GLU HA . 19972 1 59 . 1 1 9 9 GLU C C 13 176.0 0.3 . 1 . . . . . 9 GLU C . 19972 1 60 . 1 1 9 9 GLU CA C 13 56.4 0.3 . 1 . . . . . 9 GLU CA . 19972 1 61 . 1 1 9 9 GLU CB C 13 30.3 0.3 . 1 . . . . . 9 GLU CB . 19972 1 62 . 1 1 9 9 GLU CG C 13 36.0 0.3 . 1 . . . . . 9 GLU CG . 19972 1 63 . 1 1 9 9 GLU N N 15 120.8 0.3 . 1 . . . . . 9 GLU N . 19972 1 64 . 1 1 10 10 ASN H H 1 8.44 0.02 . 1 . . . . . 10 ASN H . 19972 1 65 . 1 1 10 10 ASN HA H 1 4.91 0.02 . 1 . . . . . 10 ASN HA . 19972 1 66 . 1 1 10 10 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 10 ASN HB2 . 19972 1 67 . 1 1 10 10 ASN HB3 H 1 2.65 0.02 . 2 . . . . . 10 ASN HB3 . 19972 1 68 . 1 1 10 10 ASN C C 13 173.1 0.3 . 1 . . . . . 10 ASN C . 19972 1 69 . 1 1 10 10 ASN CA C 13 51.4 0.3 . 1 . . . . . 10 ASN CA . 19972 1 70 . 1 1 10 10 ASN CB C 13 38.7 0.3 . 1 . . . . . 10 ASN CB . 19972 1 71 . 1 1 10 10 ASN N N 15 120.6 0.3 . 1 . . . . . 10 ASN N . 19972 1 72 . 1 1 11 11 PRO HA H 1 4.41 0.02 . 1 . . . . . 11 PRO HA . 19972 1 73 . 1 1 11 11 PRO C C 13 176.9 0.3 . 1 . . . . . 11 PRO C . 19972 1 74 . 1 1 11 11 PRO CA C 13 63.3 0.3 . 1 . . . . . 11 PRO CA . 19972 1 75 . 1 1 11 11 PRO CB C 13 31.9 0.3 . 1 . . . . . 11 PRO CB . 19972 1 76 . 1 1 11 11 PRO CG C 13 27.1 0.3 . 1 . . . . . 11 PRO CG . 19972 1 77 . 1 1 11 11 PRO CD C 13 50.7 0.3 . 1 . . . . . 11 PRO CD . 19972 1 78 . 1 1 11 11 PRO N N 15 136.4 0.3 . 1 . . . . . 11 PRO N . 19972 1 79 . 1 1 12 12 VAL H H 1 8.13 0.02 . 1 . . . . . 12 VAL H . 19972 1 80 . 1 1 12 12 VAL HA H 1 3.96 0.02 . 1 . . . . . 12 VAL HA . 19972 1 81 . 1 1 12 12 VAL HB H 1 1.86 0.02 . 1 . . . . . 12 VAL HB . 19972 1 82 . 1 1 12 12 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 83 . 1 1 12 12 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 84 . 1 1 12 12 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 85 . 1 1 12 12 VAL HG21 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 86 . 1 1 12 12 VAL HG22 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 87 . 1 1 12 12 VAL HG23 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 88 . 1 1 12 12 VAL C C 13 176.1 0.3 . 1 . . . . . 12 VAL C . 19972 1 89 . 1 1 12 12 VAL CA C 13 62.9 0.3 . 1 . . . . . 12 VAL CA . 19972 1 90 . 1 1 12 12 VAL CB C 13 32.1 0.3 . 1 . . . . . 12 VAL CB . 19972 1 91 . 1 1 12 12 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 12 VAL CG1 . 19972 1 92 . 1 1 12 12 VAL CG2 C 13 20.7 0.3 . 1 . . . . . 12 VAL CG2 . 19972 1 93 . 1 1 12 12 VAL N N 15 120.4 0.3 . 1 . . . . . 12 VAL N . 19972 1 94 . 1 1 13 13 VAL H H 1 7.96 0.02 . 1 . . . . . 13 VAL H . 19972 1 95 . 1 1 13 13 VAL HA H 1 3.96 0.02 . 1 . . . . . 13 VAL HA . 19972 1 96 . 1 1 13 13 VAL HB H 1 1.95 0.02 . 1 . . . . . 13 VAL HB . 19972 1 97 . 1 1 13 13 VAL HG11 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 98 . 1 1 13 13 VAL HG12 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 99 . 1 1 13 13 VAL HG13 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 100 . 1 1 13 13 VAL HG21 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 101 . 1 1 13 13 VAL HG22 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 102 . 1 1 13 13 VAL HG23 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 103 . 1 1 13 13 VAL C C 13 175.6 0.3 . 1 . . . . . 13 VAL C . 19972 1 104 . 1 1 13 13 VAL CA C 13 62.3 0.3 . 1 . . . . . 13 VAL CA . 19972 1 105 . 1 1 13 13 VAL CB C 13 32.4 0.3 . 1 . . . . . 13 VAL CB . 19972 1 106 . 1 1 13 13 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 13 VAL CG1 . 19972 1 107 . 1 1 13 13 VAL CG2 C 13 20.7 0.3 . 1 . . . . . 13 VAL CG2 . 19972 1 108 . 1 1 13 13 VAL N N 15 123.5 0.3 . 1 . . . . . 13 VAL N . 19972 1 109 . 1 1 14 14 HIS H H 1 8.25 0.02 . 1 . . . . . 14 HIS H . 19972 1 110 . 1 1 14 14 HIS HA H 1 4.53 0.02 . 1 . . . . . 14 HIS HA . 19972 1 111 . 1 1 14 14 HIS HB2 H 1 2.00 0.02 . 2 . . . . . 14 HIS HB2 . 19972 1 112 . 1 1 14 14 HIS HB3 H 1 1.89 0.02 . 2 . . . . . 14 HIS HB3 . 19972 1 113 . 1 1 14 14 HIS C C 13 174.4 0.3 . 1 . . . . . 14 HIS C . 19972 1 114 . 1 1 14 14 HIS CA C 13 55.5 0.3 . 1 . . . . . 14 HIS CA . 19972 1 115 . 1 1 14 14 HIS CB C 13 30.2 0.3 . 1 . . . . . 14 HIS CB . 19972 1 116 . 1 1 14 14 HIS N N 15 122.6 0.3 . 1 . . . . . 14 HIS N . 19972 1 117 . 1 1 15 15 PHE H H 1 8.11 0.02 . 1 . . . . . 15 PHE H . 19972 1 118 . 1 1 15 15 PHE HA H 1 4.51 0.02 . 1 . . . . . 15 PHE HA . 19972 1 119 . 1 1 15 15 PHE HB2 H 1 3.02 0.02 . 2 . . . . . 15 PHE HB2 . 19972 1 120 . 1 1 15 15 PHE HB3 H 1 2.93 0.02 . 2 . . . . . 15 PHE HB3 . 19972 1 121 . 1 1 15 15 PHE C C 13 175.2 0.3 . 1 . . . . . 15 PHE C . 19972 1 122 . 1 1 15 15 PHE CA C 13 57.7 0.3 . 1 . . . . . 15 PHE CA . 19972 1 123 . 1 1 15 15 PHE CB C 13 39.6 0.3 . 1 . . . . . 15 PHE CB . 19972 1 124 . 1 1 15 15 PHE N N 15 121.6 0.3 . 1 . . . . . 15 PHE N . 19972 1 125 . 1 1 16 16 PHE H H 1 8.17 0.02 . 1 . . . . . 16 PHE H . 19972 1 126 . 1 1 16 16 PHE HA H 1 4.50 0.02 . 1 . . . . . 16 PHE HA . 19972 1 127 . 1 1 16 16 PHE HB2 H 1 2.87 0.02 . 1 . . . . . 16 PHE HB2 . 19972 1 128 . 1 1 16 16 PHE HB3 H 1 2.87 0.02 . 1 . . . . . 16 PHE HB3 . 19972 1 129 . 1 1 16 16 PHE C C 13 175.2 0.3 . 1 . . . . . 16 PHE C . 19972 1 130 . 1 1 16 16 PHE CA C 13 57.7 0.3 . 1 . . . . . 16 PHE CA . 19972 1 131 . 1 1 16 16 PHE CB C 13 39.5 0.3 . 1 . . . . . 16 PHE CB . 19972 1 132 . 1 1 16 16 PHE N N 15 121.6 0.3 . 1 . . . . . 16 PHE N . 19972 1 133 . 1 1 17 17 LYS H H 1 8.06 0.02 . 1 . . . . . 17 LYS H . 19972 1 134 . 1 1 17 17 LYS HA H 1 4.16 0.02 . 1 . . . . . 17 LYS HA . 19972 1 135 . 1 1 17 17 LYS HB2 H 1 1.71 0.02 . 2 . . . . . 17 LYS HB2 . 19972 1 136 . 1 1 17 17 LYS HB3 H 1 1.62 0.02 . 2 . . . . . 17 LYS HB3 . 19972 1 137 . 1 1 17 17 LYS HG2 H 1 1.28 0.02 . 2 . . . . . 17 LYS HG2 . 19972 1 138 . 1 1 17 17 LYS HG3 H 1 1.28 0.02 . 2 . . . . . 17 LYS HG3 . 19972 1 139 . 1 1 17 17 LYS HD2 H 1 1.60 0.02 . 2 . . . . . 17 LYS HD2 . 19972 1 140 . 1 1 17 17 LYS HD3 H 1 1.61 0.02 . 2 . . . . . 17 LYS HD3 . 19972 1 141 . 1 1 17 17 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 17 LYS HE2 . 19972 1 142 . 1 1 17 17 LYS HE3 H 1 2.90 0.02 . 2 . . . . . 17 LYS HE3 . 19972 1 143 . 1 1 17 17 LYS C C 13 175.7 0.3 . 1 . . . . . 17 LYS C . 19972 1 144 . 1 1 17 17 LYS CA C 13 56.3 0.3 . 1 . . . . . 17 LYS CA . 19972 1 145 . 1 1 17 17 LYS CB C 13 32.9 0.3 . 1 . . . . . 17 LYS CB . 19972 1 146 . 1 1 17 17 LYS CG C 13 24.5 0.3 . 1 . . . . . 17 LYS CG . 19972 1 147 . 1 1 17 17 LYS CD C 13 28.9 0.3 . 1 . . . . . 17 LYS CD . 19972 1 148 . 1 1 17 17 LYS CE C 13 42.0 0.3 . 1 . . . . . 17 LYS CE . 19972 1 149 . 1 1 17 17 LYS N N 15 122.5 0.3 . 1 . . . . . 17 LYS N . 19972 1 150 . 1 1 18 18 ASN H H 1 8.28 0.02 . 1 . . . . . 18 ASN H . 19972 1 151 . 1 1 18 18 ASN HA H 1 4.62 0.02 . 1 . . . . . 18 ASN HA . 19972 1 152 . 1 1 18 18 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 18 ASN HB2 . 19972 1 153 . 1 1 18 18 ASN HB3 H 1 2.65 0.02 . 2 . . . . . 18 ASN HB3 . 19972 1 154 . 1 1 18 18 ASN C C 13 174.7 0.3 . 1 . . . . . 18 ASN C . 19972 1 155 . 1 1 18 18 ASN CA C 13 53.2 0.3 . 1 . . . . . 18 ASN CA . 19972 1 156 . 1 1 18 18 ASN CB C 13 38.6 0.3 . 1 . . . . . 18 ASN CB . 19972 1 157 . 1 1 18 18 ASN N N 15 119.4 0.3 . 1 . . . . . 18 ASN N . 19972 1 158 . 1 1 19 19 ILE H H 1 7.98 0.02 . 1 . . . . . 19 ILE H . 19972 1 159 . 1 1 19 19 ILE HA H 1 4.15 0.02 . 1 . . . . . 19 ILE HA . 19972 1 160 . 1 1 19 19 ILE HB H 1 1.77 0.02 . 1 . . . . . 19 ILE HB . 19972 1 161 . 1 1 19 19 ILE HG12 H 1 1.33 0.02 . 2 . . . . . 19 ILE HG12 . 19972 1 162 . 1 1 19 19 ILE HG13 H 1 1.05 0.02 . 2 . . . . . 19 ILE HG13 . 19972 1 163 . 1 1 19 19 ILE HG21 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 164 . 1 1 19 19 ILE HG22 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 165 . 1 1 19 19 ILE HG23 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 166 . 1 1 19 19 ILE HD11 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 167 . 1 1 19 19 ILE HD12 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 168 . 1 1 19 19 ILE HD13 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 169 . 1 1 19 19 ILE C C 13 176.0 0.3 . 1 . . . . . 19 ILE C . 19972 1 170 . 1 1 19 19 ILE CA C 13 60.9 0.3 . 1 . . . . . 19 ILE CA . 19972 1 171 . 1 1 19 19 ILE CB C 13 38.6 0.3 . 1 . . . . . 19 ILE CB . 19972 1 172 . 1 1 19 19 ILE CG1 C 13 27.0 0.3 . 1 . . . . . 19 ILE CG1 . 19972 1 173 . 1 1 19 19 ILE CG2 C 13 17.2 0.3 . 1 . . . . . 19 ILE CG2 . 19972 1 174 . 1 1 19 19 ILE CD1 C 13 12.7 0.3 . 1 . . . . . 19 ILE CD1 . 19972 1 175 . 1 1 19 19 ILE N N 15 121.2 0.3 . 1 . . . . . 19 ILE N . 19972 1 176 . 1 1 20 20 VAL H H 1 8.18 0.02 . 1 . . . . . 20 VAL H . 19972 1 177 . 1 1 20 20 VAL HA H 1 4.14 0.02 . 1 . . . . . 20 VAL HA . 19972 1 178 . 1 1 20 20 VAL HB H 1 1.97 0.02 . 1 . . . . . 20 VAL HB . 19972 1 179 . 1 1 20 20 VAL HG11 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 180 . 1 1 20 20 VAL HG12 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 181 . 1 1 20 20 VAL HG13 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 182 . 1 1 20 20 VAL HG21 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 183 . 1 1 20 20 VAL HG22 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 184 . 1 1 20 20 VAL HG23 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 185 . 1 1 20 20 VAL C C 13 176.0 0.3 . 1 . . . . . 20 VAL C . 19972 1 186 . 1 1 20 20 VAL CA C 13 62.0 0.3 . 1 . . . . . 20 VAL CA . 19972 1 187 . 1 1 20 20 VAL CB C 13 32.6 0.3 . 1 . . . . . 20 VAL CB . 19972 1 188 . 1 1 20 20 VAL CG1 C 13 20.6 0.3 . 1 . . . . . 20 VAL CG1 . 19972 1 189 . 1 1 20 20 VAL CG2 C 13 20.6 0.3 . 1 . . . . . 20 VAL CG2 . 19972 1 190 . 1 1 20 20 VAL N N 15 124.9 0.3 . 1 . . . . . 20 VAL N . 19972 1 191 . 1 1 21 21 THR H H 1 8.23 0.02 . 1 . . . . . 21 THR H . 19972 1 192 . 1 1 21 21 THR HA H 1 4.50 0.02 . 1 . . . . . 21 THR HA . 19972 1 193 . 1 1 21 21 THR HB H 1 4.08 0.02 . 1 . . . . . 21 THR HB . 19972 1 194 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 195 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 196 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 197 . 1 1 21 21 THR C C 13 172.6 0.3 . 1 . . . . . 21 THR C . 19972 1 198 . 1 1 21 21 THR CA C 13 59.7 0.3 . 1 . . . . . 21 THR CA . 19972 1 199 . 1 1 21 21 THR CB C 13 69.5 0.3 . 1 . . . . . 21 THR CB . 19972 1 200 . 1 1 21 21 THR CG2 C 13 21.3 0.3 . 1 . . . . . 21 THR CG2 . 19972 1 201 . 1 1 21 21 THR N N 15 121.1 0.3 . 1 . . . . . 21 THR N . 19972 1 202 . 1 1 22 22 PRO HA H 1 4.38 0.02 . 1 . . . . . 22 PRO HA . 19972 1 203 . 1 1 22 22 PRO C C 13 176.7 0.3 . 1 . . . . . 22 PRO C . 19972 1 204 . 1 1 22 22 PRO CA C 13 63.0 0.3 . 1 . . . . . 22 PRO CA . 19972 1 205 . 1 1 22 22 PRO CB C 13 31.9 0.3 . 1 . . . . . 22 PRO CB . 19972 1 206 . 1 1 22 22 PRO CG C 13 27.1 0.3 . 1 . . . . . 22 PRO CG . 19972 1 207 . 1 1 22 22 PRO CD C 13 50.7 0.3 . 1 . . . . . 22 PRO CD . 19972 1 208 . 1 1 22 22 PRO N N 15 138.3 0.3 . 1 . . . . . 22 PRO N . 19972 1 209 . 1 1 23 23 ARG H H 1 8.44 0.02 . 1 . . . . . 23 ARG H . 19972 1 210 . 1 1 23 23 ARG HA H 1 4.31 0.02 . 1 . . . . . 23 ARG HA . 19972 1 211 . 1 1 23 23 ARG C C 13 176.5 0.3 . 1 . . . . . 23 ARG C . 19972 1 212 . 1 1 23 23 ARG CA C 13 56.0 0.3 . 1 . . . . . 23 ARG CA . 19972 1 213 . 1 1 23 23 ARG CB C 13 30.7 0.3 . 1 . . . . . 23 ARG CB . 19972 1 214 . 1 1 23 23 ARG N N 15 121.5 0.3 . 1 . . . . . 23 ARG N . 19972 1 215 . 1 1 24 24 THR H H 1 8.16 0.02 . 1 . . . . . 24 THR H . 19972 1 216 . 1 1 24 24 THR HA H 1 4.49 0.02 . 1 . . . . . 24 THR HA . 19972 1 217 . 1 1 24 24 THR C C 13 172.2 0.3 . 1 . . . . . 24 THR C . 19972 1 218 . 1 1 24 24 THR CA C 13 59.6 0.3 . 1 . . . . . 24 THR CA . 19972 1 219 . 1 1 24 24 THR CB C 13 69.4 0.3 . 1 . . . . . 24 THR CB . 19972 1 220 . 1 1 24 24 THR CG2 C 13 21.3 0.3 . 1 . . . . . 24 THR CG2 . 19972 1 221 . 1 1 24 24 THR N N 15 117.4 0.3 . 1 . . . . . 24 THR N . 19972 1 222 . 1 1 25 25 PRO HA H 1 4.62 0.02 . 1 . . . . . 25 PRO HA . 19972 1 223 . 1 1 25 25 PRO CA C 13 61.4 0.3 . 1 . . . . . 25 PRO CA . 19972 1 224 . 1 1 25 25 PRO CB C 13 30.4 0.3 . 1 . . . . . 25 PRO CB . 19972 1 225 . 1 1 25 25 PRO CG C 13 27.3 0.3 . 1 . . . . . 25 PRO CG . 19972 1 226 . 1 1 25 25 PRO N N 15 139.5 0.3 . 1 . . . . . 25 PRO N . 19972 1 227 . 1 1 26 26 PRO HA H 1 4.42 0.02 . 1 . . . . . 26 PRO HA . 19972 1 228 . 1 1 26 26 PRO CA C 13 61.2 0.3 . 1 . . . . . 26 PRO CA . 19972 1 229 . 1 1 26 26 PRO CB C 13 30.2 0.3 . 1 . . . . . 26 PRO CB . 19972 1 230 . 1 1 26 26 PRO CG C 13 27.1 0.3 . 1 . . . . . 26 PRO CG . 19972 1 231 . 1 1 26 26 PRO N N 15 136.3 0.3 . 1 . . . . . 26 PRO N . 19972 1 232 . 1 1 27 27 PRO HA H 1 4.36 0.02 . 1 . . . . . 27 PRO HA . 19972 1 233 . 1 1 27 27 PRO C C 13 176.8 0.3 . 1 . . . . . 27 PRO C . 19972 1 234 . 1 1 27 27 PRO CA C 13 62.9 0.3 . 1 . . . . . 27 PRO CA . 19972 1 235 . 1 1 27 27 PRO CB C 13 31.9 0.3 . 1 . . . . . 27 PRO CB . 19972 1 236 . 1 1 27 27 PRO CG C 13 27.2 0.3 . 1 . . . . . 27 PRO CG . 19972 1 237 . 1 1 27 27 PRO CD C 13 50.7 0.3 . 1 . . . . . 27 PRO CD . 19972 1 238 . 1 1 27 27 PRO N N 15 135.2 0.3 . 1 . . . . . 27 PRO N . 19972 1 239 . 1 1 28 28 SER H H 1 8.26 0.02 . 1 . . . . . 28 SER H . 19972 1 240 . 1 1 28 28 SER HA H 1 4.38 0.02 . 1 . . . . . 28 SER HA . 19972 1 241 . 1 1 28 28 SER HB2 H 1 3.79 0.02 . 1 . . . . . 28 SER HB2 . 19972 1 242 . 1 1 28 28 SER HB3 H 1 3.79 0.02 . 1 . . . . . 28 SER HB3 . 19972 1 243 . 1 1 28 28 SER C C 13 174.9 0.3 . 1 . . . . . 28 SER C . 19972 1 244 . 1 1 28 28 SER CA C 13 58.2 0.3 . 1 . . . . . 28 SER CA . 19972 1 245 . 1 1 28 28 SER CB C 13 63.8 0.3 . 1 . . . . . 28 SER CB . 19972 1 246 . 1 1 28 28 SER N N 15 115.4 0.3 . 1 . . . . . 28 SER N . 19972 1 247 . 1 1 29 29 GLN H H 1 8.44 0.02 . 1 . . . . . 29 GLN H . 19972 1 248 . 1 1 29 29 GLN HA H 1 4.34 0.02 . 1 . . . . . 29 GLN HA . 19972 1 249 . 1 1 29 29 GLN C C 13 176.5 0.3 . 1 . . . . . 29 GLN C . 19972 1 250 . 1 1 29 29 GLN CA C 13 56.0 0.3 . 1 . . . . . 29 GLN CA . 19972 1 251 . 1 1 29 29 GLN CB C 13 29.3 0.3 . 1 . . . . . 29 GLN CB . 19972 1 252 . 1 1 29 29 GLN CG C 13 33.5 0.3 . 1 . . . . . 29 GLN CG . 19972 1 253 . 1 1 29 29 GLN N N 15 122.2 0.3 . 1 . . . . . 29 GLN N . 19972 1 254 . 1 1 30 30 GLY H H 1 8.41 0.02 . 1 . . . . . 30 GLY H . 19972 1 255 . 1 1 30 30 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 30 GLY HA2 . 19972 1 256 . 1 1 30 30 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 30 GLY HA3 . 19972 1 257 . 1 1 30 30 GLY C C 13 174.1 0.3 . 1 . . . . . 30 GLY C . 19972 1 258 . 1 1 30 30 GLY CA C 13 45.3 0.3 . 1 . . . . . 30 GLY CA . 19972 1 259 . 1 1 30 30 GLY N N 15 109.8 0.3 . 1 . . . . . 30 GLY N . 19972 1 260 . 1 1 31 31 LYS H H 1 8.25 0.02 . 1 . . . . . 31 LYS H . 19972 1 261 . 1 1 31 31 LYS HA H 1 4.28 0.02 . 1 . . . . . 31 LYS HA . 19972 1 262 . 1 1 31 31 LYS C C 13 177.1 0.3 . 1 . . . . . 31 LYS C . 19972 1 263 . 1 1 31 31 LYS CA C 13 56.3 0.3 . 1 . . . . . 31 LYS CA . 19972 1 264 . 1 1 31 31 LYS CB C 13 32.8 0.3 . 1 . . . . . 31 LYS CB . 19972 1 265 . 1 1 31 31 LYS CE C 13 42.9 0.3 . 1 . . . . . 31 LYS CE . 19972 1 266 . 1 1 31 31 LYS N N 15 120.7 0.3 . 1 . . . . . 31 LYS N . 19972 1 267 . 1 1 32 32 GLY H H 1 8.48 0.02 . 1 . . . . . 32 GLY H . 19972 1 268 . 1 1 32 32 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 32 GLY HA2 . 19972 1 269 . 1 1 32 32 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 32 GLY HA3 . 19972 1 270 . 1 1 32 32 GLY C C 13 174.1 0.3 . 1 . . . . . 32 GLY C . 19972 1 271 . 1 1 32 32 GLY CA C 13 45.2 0.3 . 1 . . . . . 32 GLY CA . 19972 1 272 . 1 1 32 32 GLY N N 15 110.0 0.3 . 1 . . . . . 32 GLY N . 19972 1 273 . 1 1 33 33 ARG H H 1 8.31 0.02 . 1 . . . . . 33 ARG H . 19972 1 274 . 1 1 33 33 ARG HA H 1 4.33 0.02 . 1 . . . . . 33 ARG HA . 19972 1 275 . 1 1 33 33 ARG C C 13 176.9 0.3 . 1 . . . . . 33 ARG C . 19972 1 276 . 1 1 33 33 ARG CA C 13 56.1 0.3 . 1 . . . . . 33 ARG CA . 19972 1 277 . 1 1 33 33 ARG CB C 13 30.6 0.3 . 1 . . . . . 33 ARG CB . 19972 1 278 . 1 1 33 33 ARG N N 15 120.9 0.3 . 1 . . . . . 33 ARG N . 19972 1 279 . 1 1 34 34 GLY H H 1 8.50 0.02 . 1 . . . . . 34 GLY H . 19972 1 280 . 1 1 34 34 GLY HA2 H 1 3.94 0.02 . 2 . . . . . 34 GLY HA2 . 19972 1 281 . 1 1 34 34 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 34 GLY HA3 . 19972 1 282 . 1 1 34 34 GLY C C 13 174.0 0.3 . 1 . . . . . 34 GLY C . 19972 1 283 . 1 1 34 34 GLY CA C 13 45.3 0.3 . 1 . . . . . 34 GLY CA . 19972 1 284 . 1 1 34 34 GLY N N 15 110.2 0.3 . 1 . . . . . 34 GLY N . 19972 1 285 . 1 1 35 35 LEU H H 1 8.13 0.02 . 1 . . . . . 35 LEU H . 19972 1 286 . 1 1 35 35 LEU HA H 1 4.40 0.02 . 1 . . . . . 35 LEU HA . 19972 1 287 . 1 1 35 35 LEU HB2 H 1 1.60 0.02 . 1 . . . . . 35 LEU HB2 . 19972 1 288 . 1 1 35 35 LEU HB3 H 1 1.60 0.02 . 1 . . . . . 35 LEU HB3 . 19972 1 289 . 1 1 35 35 LEU HG H 1 1.57 0.02 . 1 . . . . . 35 LEU HG . 19972 1 290 . 1 1 35 35 LEU HD11 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 291 . 1 1 35 35 LEU HD12 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 292 . 1 1 35 35 LEU HD13 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 293 . 1 1 35 35 LEU HD21 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 294 . 1 1 35 35 LEU HD22 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 295 . 1 1 35 35 LEU HD23 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 296 . 1 1 35 35 LEU C C 13 176.7 0.3 . 1 . . . . . 35 LEU C . 19972 1 297 . 1 1 35 35 LEU CA C 13 55.1 0.3 . 1 . . . . . 35 LEU CA . 19972 1 298 . 1 1 35 35 LEU CB C 13 42.4 0.3 . 1 . . . . . 35 LEU CB . 19972 1 299 . 1 1 35 35 LEU CG C 13 26.8 0.3 . 1 . . . . . 35 LEU CG . 19972 1 300 . 1 1 35 35 LEU CD1 C 13 23.2 0.3 . 1 . . . . . 35 LEU CD1 . 19972 1 301 . 1 1 35 35 LEU CD2 C 13 24.7 0.3 . 1 . . . . . 35 LEU CD2 . 19972 1 302 . 1 1 35 35 LEU N N 15 121.9 0.3 . 1 . . . . . 35 LEU N . 19972 1 303 . 1 1 36 36 SER H H 1 7.90 0.02 . 1 . . . . . 36 SER H . 19972 1 304 . 1 1 36 36 SER HA H 1 4.24 0.02 . 1 . . . . . 36 SER HA . 19972 1 305 . 1 1 36 36 SER HB2 H 1 3.82 0.02 . 1 . . . . . 36 SER HB2 . 19972 1 306 . 1 1 36 36 SER HB3 H 1 3.82 0.02 . 1 . . . . . 36 SER HB3 . 19972 1 307 . 1 1 36 36 SER C C 13 178.6 0.3 . 1 . . . . . 36 SER C . 19972 1 308 . 1 1 36 36 SER CA C 13 59.9 0.3 . 1 . . . . . 36 SER CA . 19972 1 309 . 1 1 36 36 SER CB C 13 64.8 0.3 . 1 . . . . . 36 SER CB . 19972 1 310 . 1 1 36 36 SER N N 15 121.6 0.3 . 1 . . . . . 36 SER N . 19972 1 stop_ save_