################################### # 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 17939 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 17939 1 3 '3D HNCACB' . . . 17939 1 4 '3D H(CCO)NH' . . . 17939 1 5 '3D HBHA(CO)NH' . . . 17939 1 7 '3D HCCH-TOCSY' . . . 17939 1 8 '2D 1H-15N HSQC' . . . 17939 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 MET HA H 1 4.125 0.01 . . . . . A 1 MET HA . 17939 1 2 . 1 1 2 2 ASN H H 1 8.971 0.01 . . . . . A 2 ASN H . 17939 1 3 . 1 1 2 2 ASN HA H 1 5.513 0.01 . . . . . A 2 ASN HA . 17939 1 4 . 1 1 2 2 ASN HB2 H 1 2.660 0.01 . . . . . A 2 ASN HB2 . 17939 1 5 . 1 1 2 2 ASN HB3 H 1 2.660 0.01 . . . . . A 2 ASN HB3 . 17939 1 6 . 1 1 2 2 ASN CA C 13 52.999 0.1 . . . . . A 2 ASN CA . 17939 1 7 . 1 1 2 2 ASN CB C 13 39.634 0.1 . . . . . A 2 ASN CB . 17939 1 8 . 1 1 2 2 ASN N N 15 124.164 0.01 . . . . . A 2 ASN N . 17939 1 9 . 1 1 3 3 VAL H H 1 9.224 0.01 . . . . . A 3 VAL H . 17939 1 10 . 1 1 3 3 VAL HA H 1 4.355 0.01 . . . . . A 3 VAL HA . 17939 1 11 . 1 1 3 3 VAL HB H 1 1.750 0.01 . . . . . A 3 VAL HB . 17939 1 12 . 1 1 3 3 VAL HG11 H 1 0.843 0.01 . . . . . A 3 VAL HG11 . 17939 1 13 . 1 1 3 3 VAL HG12 H 1 0.843 0.01 . . . . . A 3 VAL HG12 . 17939 1 14 . 1 1 3 3 VAL HG13 H 1 0.843 0.01 . . . . . A 3 VAL HG13 . 17939 1 15 . 1 1 3 3 VAL HG21 H 1 0.843 0.01 . . . . . A 3 VAL HG21 . 17939 1 16 . 1 1 3 3 VAL HG22 H 1 0.843 0.01 . . . . . A 3 VAL HG22 . 17939 1 17 . 1 1 3 3 VAL HG23 H 1 0.843 0.01 . . . . . A 3 VAL HG23 . 17939 1 18 . 1 1 3 3 VAL CA C 13 61.075 0.1 . . . . . A 3 VAL CA . 17939 1 19 . 1 1 3 3 VAL CB C 13 35.355 0.1 . . . . . A 3 VAL CB . 17939 1 20 . 1 1 3 3 VAL N N 15 124.563 0.01 . . . . . A 3 VAL N . 17939 1 21 . 1 1 4 4 THR H H 1 8.689 0.01 . . . . . A 4 THR H . 17939 1 22 . 1 1 4 4 THR HA H 1 4.614 0.01 . . . . . A 4 THR HA . 17939 1 23 . 1 1 4 4 THR HB H 1 4.085 0.01 . . . . . A 4 THR HB . 17939 1 24 . 1 1 4 4 THR HG21 H 1 1.127 0.01 . . . . . A 4 THR HG21 . 17939 1 25 . 1 1 4 4 THR HG22 H 1 1.127 0.01 . . . . . A 4 THR HG22 . 17939 1 26 . 1 1 4 4 THR HG23 H 1 1.127 0.01 . . . . . A 4 THR HG23 . 17939 1 27 . 1 1 4 4 THR CA C 13 64.242 0.1 . . . . . A 4 THR CA . 17939 1 28 . 1 1 4 4 THR CB C 13 69.615 0.1 . . . . . A 4 THR CB . 17939 1 29 . 1 1 4 4 THR N N 15 124.879 0.01 . . . . . A 4 THR N . 17939 1 30 . 1 1 5 5 VAL H H 1 9.445 0.01 . . . . . A 5 VAL H . 17939 1 31 . 1 1 5 5 VAL HA H 1 4.272 0.01 . . . . . A 5 VAL HA . 17939 1 32 . 1 1 5 5 VAL HB H 1 2.077 0.01 . . . . . A 5 VAL HB . 17939 1 33 . 1 1 5 5 VAL HG11 H 1 0.784 0.01 . . . . . A 5 VAL HG11 . 17939 1 34 . 1 1 5 5 VAL HG12 H 1 0.784 0.01 . . . . . A 5 VAL HG12 . 17939 1 35 . 1 1 5 5 VAL HG13 H 1 0.784 0.01 . . . . . A 5 VAL HG13 . 17939 1 36 . 1 1 5 5 VAL HG21 H 1 0.784 0.01 . . . . . A 5 VAL HG21 . 17939 1 37 . 1 1 5 5 VAL HG22 H 1 0.784 0.01 . . . . . A 5 VAL HG22 . 17939 1 38 . 1 1 5 5 VAL HG23 H 1 0.784 0.01 . . . . . A 5 VAL HG23 . 17939 1 39 . 1 1 5 5 VAL CA C 13 61.607 0.1 . . . . . A 5 VAL CA . 17939 1 40 . 1 1 5 5 VAL CB C 13 32.524 0.1 . . . . . A 5 VAL CB . 17939 1 41 . 1 1 5 5 VAL N N 15 129.059 0.01 . . . . . A 5 VAL N . 17939 1 42 . 1 1 6 6 GLU H H 1 8.490 0.01 . . . . . A 6 GLU H . 17939 1 43 . 1 1 6 6 GLU HA H 1 4.757 0.01 . . . . . A 6 GLU HA . 17939 1 44 . 1 1 6 6 GLU HB2 H 1 1.901 0.01 . . . . . A 6 GLU HB2 . 17939 1 45 . 1 1 6 6 GLU HB3 H 1 2.200 0.01 . . . . . A 6 GLU HB3 . 17939 1 46 . 1 1 6 6 GLU HG2 H 1 1.850 0.01 . . . . . A 6 GLU HG2 . 17939 1 47 . 1 1 6 6 GLU HG3 H 1 2.289 0.01 . . . . . A 6 GLU HG3 . 17939 1 48 . 1 1 6 6 GLU CA C 13 54.970 0.1 . . . . . A 6 GLU CA . 17939 1 49 . 1 1 6 6 GLU CB C 13 30.817 0.1 . . . . . A 6 GLU CB . 17939 1 50 . 1 1 6 6 GLU N N 15 129.140 0.01 . . . . . A 6 GLU N . 17939 1 51 . 1 1 7 7 VAL H H 1 8.340 0.01 . . . . . A 7 VAL H . 17939 1 52 . 1 1 7 7 VAL HA H 1 4.583 0.01 . . . . . A 7 VAL HA . 17939 1 53 . 1 1 7 7 VAL HB H 1 2.398 0.01 . . . . . A 7 VAL HB . 17939 1 54 . 1 1 7 7 VAL HG11 H 1 0.927 0.01 . . . . . A 7 VAL HG11 . 17939 1 55 . 1 1 7 7 VAL HG12 H 1 0.927 0.01 . . . . . A 7 VAL HG12 . 17939 1 56 . 1 1 7 7 VAL HG13 H 1 0.927 0.01 . . . . . A 7 VAL HG13 . 17939 1 57 . 1 1 7 7 VAL HG21 H 1 0.856 0.01 . . . . . A 7 VAL HG21 . 17939 1 58 . 1 1 7 7 VAL HG22 H 1 0.856 0.01 . . . . . A 7 VAL HG22 . 17939 1 59 . 1 1 7 7 VAL HG23 H 1 0.856 0.01 . . . . . A 7 VAL HG23 . 17939 1 60 . 1 1 7 7 VAL CA C 13 62.528 0.1 . . . . . A 7 VAL CA . 17939 1 61 . 1 1 7 7 VAL CB C 13 30.183 0.1 . . . . . A 7 VAL CB . 17939 1 62 . 1 1 7 7 VAL N N 15 129.123 0.01 . . . . . A 7 VAL N . 17939 1 63 . 1 1 8 8 VAL H H 1 8.609 0.01 . . . . . A 8 VAL H . 17939 1 64 . 1 1 8 8 VAL HA H 1 3.670 0.01 . . . . . A 8 VAL HA . 17939 1 65 . 1 1 8 8 VAL HB H 1 2.117 0.01 . . . . . A 8 VAL HB . 17939 1 66 . 1 1 8 8 VAL HG11 H 1 0.981 0.01 . . . . . A 8 VAL HG11 . 17939 1 67 . 1 1 8 8 VAL HG12 H 1 0.981 0.01 . . . . . A 8 VAL HG12 . 17939 1 68 . 1 1 8 8 VAL HG13 H 1 0.981 0.01 . . . . . A 8 VAL HG13 . 17939 1 69 . 1 1 8 8 VAL HG21 H 1 0.981 0.01 . . . . . A 8 VAL HG21 . 17939 1 70 . 1 1 8 8 VAL HG22 H 1 0.981 0.01 . . . . . A 8 VAL HG22 . 17939 1 71 . 1 1 8 8 VAL HG23 H 1 0.981 0.01 . . . . . A 8 VAL HG23 . 17939 1 72 . 1 1 8 8 VAL CA C 13 66.458 0.1 . . . . . A 8 VAL CA . 17939 1 73 . 1 1 8 8 VAL CB C 13 31.234 0.1 . . . . . A 8 VAL CB . 17939 1 74 . 1 1 8 8 VAL N N 15 129.891 0.01 . . . . . A 8 VAL N . 17939 1 75 . 1 1 9 9 GLY H H 1 9.128 0.01 . . . . . A 9 GLY H . 17939 1 76 . 1 1 9 9 GLY N N 15 116.667 0.01 . . . . . A 9 GLY N . 17939 1 77 . 1 1 11 11 GLU HA H 1 4.622 0.01 . . . . . A 11 GLU HA . 17939 1 78 . 1 1 11 11 GLU HB2 H 1 2.095 0.01 . . . . . A 11 GLU HB2 . 17939 1 79 . 1 1 11 11 GLU HB3 H 1 2.499 0.01 . . . . . A 11 GLU HB3 . 17939 1 80 . 1 1 11 11 GLU HG2 H 1 2.313 0.01 . . . . . A 11 GLU HG2 . 17939 1 81 . 1 1 11 11 GLU HG3 H 1 2.313 0.01 . . . . . A 11 GLU HG3 . 17939 1 82 . 1 1 12 12 THR H H 1 8.876 0.01 . . . . . A 12 THR H . 17939 1 83 . 1 1 12 12 THR HA H 1 5.353 0.01 . . . . . A 12 THR HA . 17939 1 84 . 1 1 12 12 THR HB H 1 3.989 0.01 . . . . . A 12 THR HB . 17939 1 85 . 1 1 12 12 THR CA C 13 62.307 0.1 . . . . . A 12 THR CA . 17939 1 86 . 1 1 12 12 THR CB C 13 70.669 0.1 . . . . . A 12 THR CB . 17939 1 87 . 1 1 12 12 THR N N 15 120.374 0.01 . . . . . A 12 THR N . 17939 1 88 . 1 1 13 13 SER H H 1 8.850 0.01 . . . . . A 13 SER H . 17939 1 89 . 1 1 13 13 SER HA H 1 4.887 0.01 . . . . . A 13 SER HA . 17939 1 90 . 1 1 13 13 SER HB2 H 1 3.628 0.01 . . . . . A 13 SER HB2 . 17939 1 91 . 1 1 13 13 SER HB3 H 1 3.784 0.01 . . . . . A 13 SER HB3 . 17939 1 92 . 1 1 13 13 SER CA C 13 57.740 0.1 . . . . . A 13 SER CA . 17939 1 93 . 1 1 13 13 SER CB C 13 66.716 0.1 . . . . . A 13 SER CB . 17939 1 94 . 1 1 13 13 SER N N 15 122.186 0.01 . . . . . A 13 SER N . 17939 1 95 . 1 1 14 14 GLU H H 1 8.639 0.01 . . . . . A 14 GLU H . 17939 1 96 . 1 1 14 14 GLU HA H 1 5.042 0.01 . . . . . A 14 GLU HA . 17939 1 97 . 1 1 14 14 GLU HB2 H 1 1.946 0.01 . . . . . A 14 GLU HB2 . 17939 1 98 . 1 1 14 14 GLU HB3 H 1 1.946 0.01 . . . . . A 14 GLU HB3 . 17939 1 99 . 1 1 14 14 GLU HG2 H 1 2.124 0.01 . . . . . A 14 GLU HG2 . 17939 1 100 . 1 1 14 14 GLU HG3 H 1 2.124 0.01 . . . . . A 14 GLU HG3 . 17939 1 101 . 1 1 14 14 GLU CA C 13 55.686 0.1 . . . . . A 14 GLU CA . 17939 1 102 . 1 1 14 14 GLU CB C 13 30.487 0.1 . . . . . A 14 GLU CB . 17939 1 103 . 1 1 14 14 GLU N N 15 122.958 0.01 . . . . . A 14 GLU N . 17939 1 104 . 1 1 15 15 VAL H H 1 9.120 0.01 . . . . . A 15 VAL H . 17939 1 105 . 1 1 15 15 VAL HA H 1 4.472 0.01 . . . . . A 15 VAL HA . 17939 1 106 . 1 1 15 15 VAL HB H 1 1.969 0.01 . . . . . A 15 VAL HB . 17939 1 107 . 1 1 15 15 VAL HG11 H 1 0.801 0.01 . . . . . A 15 VAL HG11 . 17939 1 108 . 1 1 15 15 VAL HG12 H 1 0.801 0.01 . . . . . A 15 VAL HG12 . 17939 1 109 . 1 1 15 15 VAL HG13 H 1 0.801 0.01 . . . . . A 15 VAL HG13 . 17939 1 110 . 1 1 15 15 VAL HG21 H 1 0.801 0.01 . . . . . A 15 VAL HG21 . 17939 1 111 . 1 1 15 15 VAL HG22 H 1 0.801 0.01 . . . . . A 15 VAL HG22 . 17939 1 112 . 1 1 15 15 VAL HG23 H 1 0.801 0.01 . . . . . A 15 VAL HG23 . 17939 1 113 . 1 1 15 15 VAL CA C 13 60.589 0.1 . . . . . A 15 VAL CA . 17939 1 114 . 1 1 15 15 VAL CB C 13 35.210 0.1 . . . . . A 15 VAL CB . 17939 1 115 . 1 1 15 15 VAL N N 15 123.906 0.01 . . . . . A 15 VAL N . 17939 1 116 . 1 1 16 16 ALA H H 1 8.322 0.01 . . . . . A 16 ALA H . 17939 1 117 . 1 1 16 16 ALA HA H 1 5.251 0.01 . . . . . A 16 ALA HA . 17939 1 118 . 1 1 16 16 ALA HB1 H 1 1.299 0.01 . . . . . A 16 ALA HB1 . 17939 1 119 . 1 1 16 16 ALA HB2 H 1 1.299 0.01 . . . . . A 16 ALA HB2 . 17939 1 120 . 1 1 16 16 ALA HB3 H 1 1.299 0.01 . . . . . A 16 ALA HB3 . 17939 1 121 . 1 1 16 16 ALA CA C 13 51.060 0.1 . . . . . A 16 ALA CA . 17939 1 122 . 1 1 16 16 ALA CB C 13 19.434 0.1 . . . . . A 16 ALA CB . 17939 1 123 . 1 1 16 16 ALA N N 15 126.922 0.01 . . . . . A 16 ALA N . 17939 1 124 . 1 1 17 17 VAL H H 1 8.551 0.01 . . . . . A 17 VAL H . 17939 1 125 . 1 1 17 17 VAL HA H 1 4.545 0.01 . . . . . A 17 VAL HA . 17939 1 126 . 1 1 17 17 VAL HB H 1 2.153 0.01 . . . . . A 17 VAL HB . 17939 1 127 . 1 1 17 17 VAL HG11 H 1 0.854 0.01 . . . . . A 17 VAL HG11 . 17939 1 128 . 1 1 17 17 VAL HG12 H 1 0.854 0.01 . . . . . A 17 VAL HG12 . 17939 1 129 . 1 1 17 17 VAL HG13 H 1 0.854 0.01 . . . . . A 17 VAL HG13 . 17939 1 130 . 1 1 17 17 VAL HG21 H 1 0.854 0.01 . . . . . A 17 VAL HG21 . 17939 1 131 . 1 1 17 17 VAL HG22 H 1 0.854 0.01 . . . . . A 17 VAL HG22 . 17939 1 132 . 1 1 17 17 VAL HG23 H 1 0.854 0.01 . . . . . A 17 VAL HG23 . 17939 1 133 . 1 1 17 17 VAL CA C 13 59.556 0.1 . . . . . A 17 VAL CA . 17939 1 134 . 1 1 17 17 VAL CB C 13 35.224 0.1 . . . . . A 17 VAL CB . 17939 1 135 . 1 1 17 17 VAL N N 15 118.038 0.01 . . . . . A 17 VAL N . 17939 1 136 . 1 1 18 18 ASP H H 1 8.572 0.01 . . . . . A 18 ASP H . 17939 1 137 . 1 1 18 18 ASP HA H 1 4.610 0.01 . . . . . A 18 ASP HA . 17939 1 138 . 1 1 18 18 ASP HB2 H 1 2.705 0.01 . . . . . A 18 ASP HB2 . 17939 1 139 . 1 1 18 18 ASP HB3 H 1 2.705 0.01 . . . . . A 18 ASP HB3 . 17939 1 140 . 1 1 18 18 ASP CA C 13 54.590 0.1 . . . . . A 18 ASP CA . 17939 1 141 . 1 1 18 18 ASP CB C 13 41.800 0.1 . . . . . A 18 ASP CB . 17939 1 142 . 1 1 18 18 ASP N N 15 123.842 0.01 . . . . . A 18 ASP N . 17939 1 143 . 1 1 19 19 ASP H H 1 8.672 0.01 . . . . . A 19 ASP H . 17939 1 144 . 1 1 19 19 ASP HA H 1 4.408 0.01 . . . . . A 19 ASP HA . 17939 1 145 . 1 1 19 19 ASP HB2 H 1 2.636 0.01 . . . . . A 19 ASP HB2 . 17939 1 146 . 1 1 19 19 ASP HB3 H 1 2.636 0.01 . . . . . A 19 ASP HB3 . 17939 1 147 . 1 1 19 19 ASP N N 15 120.245 0.01 . . . . . A 19 ASP N . 17939 1 148 . 1 1 20 20 ASP H H 1 8.303 0.01 . . . . . A 20 ASP H . 17939 1 149 . 1 1 20 20 ASP HA H 1 4.760 0.01 . . . . . A 20 ASP HA . 17939 1 150 . 1 1 20 20 ASP HB2 H 1 2.740 0.01 . . . . . A 20 ASP HB2 . 17939 1 151 . 1 1 20 20 ASP HB3 H 1 2.740 0.01 . . . . . A 20 ASP HB3 . 17939 1 152 . 1 1 20 20 ASP CA C 13 53.544 0.1 . . . . . A 20 ASP CA . 17939 1 153 . 1 1 20 20 ASP CB C 13 39.934 0.1 . . . . . A 20 ASP CB . 17939 1 154 . 1 1 20 20 ASP N N 15 116.964 0.01 . . . . . A 20 ASP N . 17939 1 155 . 1 1 21 21 GLY H H 1 8.075 0.01 . . . . . A 21 GLY H . 17939 1 156 . 1 1 21 21 GLY HA2 H 1 3.558 0.01 . . . . . A 21 GLY HA2 . 17939 1 157 . 1 1 21 21 GLY HA3 H 1 4.267 0.01 . . . . . A 21 GLY HA3 . 17939 1 158 . 1 1 21 21 GLY CA C 13 45.504 0.1 . . . . . A 21 GLY CA . 17939 1 159 . 1 1 21 21 GLY N N 15 109.011 0.01 . . . . . A 21 GLY N . 17939 1 160 . 1 1 22 22 THR H H 1 9.061 0.01 . . . . . A 22 THR H . 17939 1 161 . 1 1 22 22 THR HA H 1 5.032 0.01 . . . . . A 22 THR HA . 17939 1 162 . 1 1 22 22 THR HB H 1 4.682 0.01 . . . . . A 22 THR HB . 17939 1 163 . 1 1 22 22 THR CA C 13 60.276 0.1 . . . . . A 22 THR CA . 17939 1 164 . 1 1 22 22 THR CB C 13 73.687 0.1 . . . . . A 22 THR CB . 17939 1 165 . 1 1 22 22 THR N N 15 112.343 0.01 . . . . . A 22 THR N . 17939 1 166 . 1 1 23 23 TYR H H 1 7.916 0.01 . . . . . A 23 TYR H . 17939 1 167 . 1 1 23 23 TYR HA H 1 4.038 0.01 . . . . . A 23 TYR HA . 17939 1 168 . 1 1 23 23 TYR HB2 H 1 2.931 0.01 . . . . . A 23 TYR HB2 . 17939 1 169 . 1 1 23 23 TYR HB3 H 1 3.087 0.01 . . . . . A 23 TYR HB3 . 17939 1 170 . 1 1 23 23 TYR CA C 13 64.560 0.1 . . . . . A 23 TYR CA . 17939 1 171 . 1 1 23 23 TYR CB C 13 37.257 0.1 . . . . . A 23 TYR CB . 17939 1 172 . 1 1 23 23 TYR N N 15 118.473 0.01 . . . . . A 23 TYR N . 17939 1 173 . 1 1 24 24 ALA H H 1 9.102 0.01 . . . . . A 24 ALA H . 17939 1 174 . 1 1 24 24 ALA HA H 1 3.945 0.01 . . . . . A 24 ALA HA . 17939 1 175 . 1 1 24 24 ALA HB1 H 1 1.415 0.01 . . . . . A 24 ALA HB1 . 17939 1 176 . 1 1 24 24 ALA HB2 H 1 1.415 0.01 . . . . . A 24 ALA HB2 . 17939 1 177 . 1 1 24 24 ALA HB3 H 1 1.415 0.01 . . . . . A 24 ALA HB3 . 17939 1 178 . 1 1 24 24 ALA CA C 13 55.858 0.1 . . . . . A 24 ALA CA . 17939 1 179 . 1 1 24 24 ALA CB C 13 17.968 0.1 . . . . . A 24 ALA CB . 17939 1 180 . 1 1 24 24 ALA N N 15 121.801 0.01 . . . . . A 24 ALA N . 17939 1 181 . 1 1 25 25 ASP H H 1 7.607 0.01 . . . . . A 25 ASP H . 17939 1 182 . 1 1 25 25 ASP HA H 1 4.362 0.01 . . . . . A 25 ASP HA . 17939 1 183 . 1 1 25 25 ASP HB2 H 1 2.693 0.01 . . . . . A 25 ASP HB2 . 17939 1 184 . 1 1 25 25 ASP HB3 H 1 3.155 0.01 . . . . . A 25 ASP HB3 . 17939 1 185 . 1 1 25 25 ASP CA C 13 58.006 0.1 . . . . . A 25 ASP CA . 17939 1 186 . 1 1 25 25 ASP CB C 13 40.541 0.1 . . . . . A 25 ASP CB . 17939 1 187 . 1 1 25 25 ASP N N 15 116.991 0.01 . . . . . A 25 ASP N . 17939 1 188 . 1 1 26 26 LEU H H 1 7.668 0.01 . . . . . A 26 LEU H . 17939 1 189 . 1 1 26 26 LEU HA H 1 3.921 0.01 . . . . . A 26 LEU HA . 17939 1 190 . 1 1 26 26 LEU HB2 H 1 1.615 0.01 . . . . . A 26 LEU HB2 . 17939 1 191 . 1 1 26 26 LEU HB3 H 1 2.086 0.01 . . . . . A 26 LEU HB3 . 17939 1 192 . 1 1 26 26 LEU HD11 H 1 0.954 0.01 . . . . . A 26 LEU HD11 . 17939 1 193 . 1 1 26 26 LEU HD12 H 1 0.954 0.01 . . . . . A 26 LEU HD12 . 17939 1 194 . 1 1 26 26 LEU HD13 H 1 0.954 0.01 . . . . . A 26 LEU HD13 . 17939 1 195 . 1 1 26 26 LEU HD21 H 1 0.742 0.01 . . . . . A 26 LEU HD21 . 17939 1 196 . 1 1 26 26 LEU HD22 H 1 0.742 0.01 . . . . . A 26 LEU HD22 . 17939 1 197 . 1 1 26 26 LEU HD23 H 1 0.742 0.01 . . . . . A 26 LEU HD23 . 17939 1 198 . 1 1 26 26 LEU CA C 13 58.069 0.1 . . . . . A 26 LEU CA . 17939 1 199 . 1 1 26 26 LEU CB C 13 41.547 0.1 . . . . . A 26 LEU CB . 17939 1 200 . 1 1 26 26 LEU N N 15 120.211 0.01 . . . . . A 26 LEU N . 17939 1 201 . 1 1 27 27 VAL H H 1 7.520 0.01 . . . . . A 27 VAL H . 17939 1 202 . 1 1 27 27 VAL HA H 1 3.400 0.01 . . . . . A 27 VAL HA . 17939 1 203 . 1 1 27 27 VAL HB H 1 2.119 0.01 . . . . . A 27 VAL HB . 17939 1 204 . 1 1 27 27 VAL HG11 H 1 0.901 0.01 . . . . . A 27 VAL HG11 . 17939 1 205 . 1 1 27 27 VAL HG12 H 1 0.901 0.01 . . . . . A 27 VAL HG12 . 17939 1 206 . 1 1 27 27 VAL HG13 H 1 0.901 0.01 . . . . . A 27 VAL HG13 . 17939 1 207 . 1 1 27 27 VAL HG21 H 1 0.631 0.01 . . . . . A 27 VAL HG21 . 17939 1 208 . 1 1 27 27 VAL HG22 H 1 0.631 0.01 . . . . . A 27 VAL HG22 . 17939 1 209 . 1 1 27 27 VAL HG23 H 1 0.631 0.01 . . . . . A 27 VAL HG23 . 17939 1 210 . 1 1 27 27 VAL CA C 13 66.477 0.1 . . . . . A 27 VAL CA . 17939 1 211 . 1 1 27 27 VAL CB C 13 31.539 0.1 . . . . . A 27 VAL CB . 17939 1 212 . 1 1 27 27 VAL N N 15 116.006 0.01 . . . . . A 27 VAL N . 17939 1 213 . 1 1 28 28 ARG H H 1 8.112 0.01 . . . . . A 28 ARG H . 17939 1 214 . 1 1 28 28 ARG HA H 1 4.461 0.01 . . . . . A 28 ARG HA . 17939 1 215 . 1 1 28 28 ARG HB2 H 1 1.935 0.01 . . . . . A 28 ARG HB2 . 17939 1 216 . 1 1 28 28 ARG HB3 H 1 1.935 0.01 . . . . . A 28 ARG HB3 . 17939 1 217 . 1 1 28 28 ARG HG2 H 1 1.793 0.01 . . . . . A 28 ARG HG2 . 17939 1 218 . 1 1 28 28 ARG HG3 H 1 1.793 0.01 . . . . . A 28 ARG HG3 . 17939 1 219 . 1 1 28 28 ARG CA C 13 59.874 0.1 . . . . . A 28 ARG CA . 17939 1 220 . 1 1 28 28 ARG CB C 13 30.034 0.1 . . . . . A 28 ARG CB . 17939 1 221 . 1 1 28 28 ARG N N 15 117.996 0.01 . . . . . A 28 ARG N . 17939 1 222 . 1 1 29 29 ALA H H 1 7.834 0.01 . . . . . A 29 ALA H . 17939 1 223 . 1 1 29 29 ALA HA H 1 4.326 0.01 . . . . . A 29 ALA HA . 17939 1 224 . 1 1 29 29 ALA HB1 H 1 1.644 0.01 . . . . . A 29 ALA HB1 . 17939 1 225 . 1 1 29 29 ALA HB2 H 1 1.644 0.01 . . . . . A 29 ALA HB2 . 17939 1 226 . 1 1 29 29 ALA HB3 H 1 1.644 0.01 . . . . . A 29 ALA HB3 . 17939 1 227 . 1 1 29 29 ALA CA C 13 54.705 0.1 . . . . . A 29 ALA CA . 17939 1 228 . 1 1 29 29 ALA CB C 13 18.131 0.1 . . . . . A 29 ALA CB . 17939 1 229 . 1 1 29 29 ALA N N 15 122.020 0.01 . . . . . A 29 ALA N . 17939 1 230 . 1 1 30 30 VAL H H 1 7.280 0.01 . . . . . A 30 VAL H . 17939 1 231 . 1 1 30 30 VAL HA H 1 4.594 0.01 . . . . . A 30 VAL HA . 17939 1 232 . 1 1 30 30 VAL HB H 1 2.535 0.01 . . . . . A 30 VAL HB . 17939 1 233 . 1 1 30 30 VAL HG11 H 1 0.858 0.01 . . . . . A 30 VAL HG11 . 17939 1 234 . 1 1 30 30 VAL HG12 H 1 0.858 0.01 . . . . . A 30 VAL HG12 . 17939 1 235 . 1 1 30 30 VAL HG13 H 1 0.858 0.01 . . . . . A 30 VAL HG13 . 17939 1 236 . 1 1 30 30 VAL HG21 H 1 0.858 0.01 . . . . . A 30 VAL HG21 . 17939 1 237 . 1 1 30 30 VAL HG22 H 1 0.858 0.01 . . . . . A 30 VAL HG22 . 17939 1 238 . 1 1 30 30 VAL HG23 H 1 0.858 0.01 . . . . . A 30 VAL HG23 . 17939 1 239 . 1 1 30 30 VAL CA C 13 60.736 0.1 . . . . . A 30 VAL CA . 17939 1 240 . 1 1 30 30 VAL CB C 13 29.817 0.1 . . . . . A 30 VAL CB . 17939 1 241 . 1 1 30 30 VAL N N 15 110.431 0.01 . . . . . A 30 VAL N . 17939 1 242 . 1 1 31 31 ASP H H 1 7.900 0.01 . . . . . A 31 ASP H . 17939 1 243 . 1 1 31 31 ASP HA H 1 4.341 0.01 . . . . . A 31 ASP HA . 17939 1 244 . 1 1 31 31 ASP HB2 H 1 2.725 0.01 . . . . . A 31 ASP HB2 . 17939 1 245 . 1 1 31 31 ASP HB3 H 1 3.062 0.01 . . . . . A 31 ASP HB3 . 17939 1 246 . 1 1 31 31 ASP CA C 13 55.976 0.1 . . . . . A 31 ASP CA . 17939 1 247 . 1 1 31 31 ASP CB C 13 38.855 0.1 . . . . . A 31 ASP CB . 17939 1 248 . 1 1 31 31 ASP N N 15 115.229 0.01 . . . . . A 31 ASP N . 17939 1 249 . 1 1 32 32 LEU H H 1 7.600 0.01 . . . . . A 32 LEU H . 17939 1 250 . 1 1 32 32 LEU HA H 1 4.754 0.01 . . . . . A 32 LEU HA . 17939 1 251 . 1 1 32 32 LEU HB2 H 1 1.156 0.01 . . . . . A 32 LEU HB2 . 17939 1 252 . 1 1 32 32 LEU HB3 H 1 1.442 0.01 . . . . . A 32 LEU HB3 . 17939 1 253 . 1 1 32 32 LEU HD11 H 1 0.836 0.01 . . . . . A 32 LEU HD11 . 17939 1 254 . 1 1 32 32 LEU HD12 H 1 0.836 0.01 . . . . . A 32 LEU HD12 . 17939 1 255 . 1 1 32 32 LEU HD13 H 1 0.836 0.01 . . . . . A 32 LEU HD13 . 17939 1 256 . 1 1 32 32 LEU HD21 H 1 0.771 0.01 . . . . . A 32 LEU HD21 . 17939 1 257 . 1 1 32 32 LEU HD22 H 1 0.771 0.01 . . . . . A 32 LEU HD22 . 17939 1 258 . 1 1 32 32 LEU HD23 H 1 0.771 0.01 . . . . . A 32 LEU HD23 . 17939 1 259 . 1 1 32 32 LEU CA C 13 53.230 0.1 . . . . . A 32 LEU CA . 17939 1 260 . 1 1 32 32 LEU CB C 13 45.435 0.1 . . . . . A 32 LEU CB . 17939 1 261 . 1 1 32 32 LEU N N 15 117.843 0.01 . . . . . A 32 LEU N . 17939 1 262 . 1 1 33 33 SER H H 1 8.563 0.01 . . . . . A 33 SER H . 17939 1 263 . 1 1 33 33 SER N N 15 115.585 0.01 . . . . . A 33 SER N . 17939 1 264 . 1 1 34 34 PRO HA H 1 4.111 0.01 . . . . . A 34 PRO HA . 17939 1 265 . 1 1 34 34 PRO HB2 H 1 2.165 0.01 . . . . . A 34 PRO HB2 . 17939 1 266 . 1 1 34 34 PRO HB3 H 1 1.988 0.01 . . . . . A 34 PRO HB3 . 17939 1 267 . 1 1 35 35 HIS H H 1 7.914 0.01 . . . . . A 35 HIS H . 17939 1 268 . 1 1 35 35 HIS HA H 1 4.738 0.01 . . . . . A 35 HIS HA . 17939 1 269 . 1 1 35 35 HIS HB2 H 1 3.243 0.01 . . . . . A 35 HIS HB2 . 17939 1 270 . 1 1 35 35 HIS HB3 H 1 3.243 0.01 . . . . . A 35 HIS HB3 . 17939 1 271 . 1 1 35 35 HIS CA C 13 57.336 0.1 . . . . . A 35 HIS CA . 17939 1 272 . 1 1 35 35 HIS CB C 13 29.368 0.1 . . . . . A 35 HIS CB . 17939 1 273 . 1 1 35 35 HIS N N 15 111.495 0.01 . . . . . A 35 HIS N . 17939 1 274 . 1 1 36 36 GLU H H 1 7.849 0.01 . . . . . A 36 GLU H . 17939 1 275 . 1 1 36 36 GLU HA H 1 4.543 0.01 . . . . . A 36 GLU HA . 17939 1 276 . 1 1 36 36 GLU HB2 H 1 2.036 0.01 . . . . . A 36 GLU HB2 . 17939 1 277 . 1 1 36 36 GLU HB3 H 1 2.248 0.01 . . . . . A 36 GLU HB3 . 17939 1 278 . 1 1 36 36 GLU HG2 H 1 1.886 0.01 . . . . . A 36 GLU HG2 . 17939 1 279 . 1 1 36 36 GLU HG3 H 1 2.072 0.01 . . . . . A 36 GLU HG3 . 17939 1 280 . 1 1 36 36 GLU CA C 13 55.664 0.1 . . . . . A 36 GLU CA . 17939 1 281 . 1 1 36 36 GLU CB C 13 30.997 0.1 . . . . . A 36 GLU CB . 17939 1 282 . 1 1 36 36 GLU N N 15 117.450 0.01 . . . . . A 36 GLU N . 17939 1 283 . 1 1 37 37 VAL H H 1 7.300 0.01 . . . . . A 37 VAL H . 17939 1 284 . 1 1 37 37 VAL HA H 1 5.400 0.01 . . . . . A 37 VAL HA . 17939 1 285 . 1 1 37 37 VAL HB H 1 2.039 0.01 . . . . . A 37 VAL HB . 17939 1 286 . 1 1 37 37 VAL HG11 H 1 0.762 0.01 . . . . . A 37 VAL HG11 . 17939 1 287 . 1 1 37 37 VAL HG12 H 1 0.762 0.01 . . . . . A 37 VAL HG12 . 17939 1 288 . 1 1 37 37 VAL HG13 H 1 0.762 0.01 . . . . . A 37 VAL HG13 . 17939 1 289 . 1 1 37 37 VAL HG21 H 1 0.762 0.01 . . . . . A 37 VAL HG21 . 17939 1 290 . 1 1 37 37 VAL HG22 H 1 0.762 0.01 . . . . . A 37 VAL HG22 . 17939 1 291 . 1 1 37 37 VAL HG23 H 1 0.762 0.01 . . . . . A 37 VAL HG23 . 17939 1 292 . 1 1 37 37 VAL CA C 13 58.791 0.1 . . . . . A 37 VAL CA . 17939 1 293 . 1 1 37 37 VAL CB C 13 35.934 0.1 . . . . . A 37 VAL CB . 17939 1 294 . 1 1 37 37 VAL N N 15 111.225 0.01 . . . . . A 37 VAL N . 17939 1 295 . 1 1 38 38 THR H H 1 8.798 0.01 . . . . . A 38 THR H . 17939 1 296 . 1 1 38 38 THR HA H 1 4.487 0.01 . . . . . A 38 THR HA . 17939 1 297 . 1 1 38 38 THR HB H 1 3.824 0.01 . . . . . A 38 THR HB . 17939 1 298 . 1 1 38 38 THR HG21 H 1 1.182 0.01 . . . . . A 38 THR HG21 . 17939 1 299 . 1 1 38 38 THR HG22 H 1 1.182 0.01 . . . . . A 38 THR HG22 . 17939 1 300 . 1 1 38 38 THR HG23 H 1 1.182 0.01 . . . . . A 38 THR HG23 . 17939 1 301 . 1 1 38 38 THR CA C 13 62.232 0.1 . . . . . A 38 THR CA . 17939 1 302 . 1 1 38 38 THR CB C 13 72.007 0.1 . . . . . A 38 THR CB . 17939 1 303 . 1 1 38 38 THR N N 15 116.433 0.01 . . . . . A 38 THR N . 17939 1 304 . 1 1 39 39 VAL H H 1 9.239 0.01 . . . . . A 39 VAL H . 17939 1 305 . 1 1 39 39 VAL HA H 1 4.434 0.01 . . . . . A 39 VAL HA . 17939 1 306 . 1 1 39 39 VAL HB H 1 1.889 0.01 . . . . . A 39 VAL HB . 17939 1 307 . 1 1 39 39 VAL HG11 H 1 0.790 0.01 . . . . . A 39 VAL HG11 . 17939 1 308 . 1 1 39 39 VAL HG12 H 1 0.790 0.01 . . . . . A 39 VAL HG12 . 17939 1 309 . 1 1 39 39 VAL HG13 H 1 0.790 0.01 . . . . . A 39 VAL HG13 . 17939 1 310 . 1 1 39 39 VAL HG21 H 1 0.613 0.01 . . . . . A 39 VAL HG21 . 17939 1 311 . 1 1 39 39 VAL HG22 H 1 0.613 0.01 . . . . . A 39 VAL HG22 . 17939 1 312 . 1 1 39 39 VAL HG23 H 1 0.613 0.01 . . . . . A 39 VAL HG23 . 17939 1 313 . 1 1 39 39 VAL CA C 13 62.264 0.1 . . . . . A 39 VAL CA . 17939 1 314 . 1 1 39 39 VAL CB C 13 31.356 0.1 . . . . . A 39 VAL CB . 17939 1 315 . 1 1 39 39 VAL N N 15 128.311 0.01 . . . . . A 39 VAL N . 17939 1 316 . 1 1 40 40 LEU H H 1 9.279 0.01 . . . . . A 40 LEU H . 17939 1 317 . 1 1 40 40 LEU HA H 1 4.868 0.01 . . . . . A 40 LEU HA . 17939 1 318 . 1 1 40 40 LEU HB2 H 1 0.891 0.01 . . . . . A 40 LEU HB2 . 17939 1 319 . 1 1 40 40 LEU HB3 H 1 1.706 0.01 . . . . . A 40 LEU HB3 . 17939 1 320 . 1 1 40 40 LEU HG H 1 1.330 0.01 . . . . . A 40 LEU HG . 17939 1 321 . 1 1 40 40 LEU HD11 H 1 0.721 0.01 . . . . . A 40 LEU HD11 . 17939 1 322 . 1 1 40 40 LEU HD12 H 1 0.721 0.01 . . . . . A 40 LEU HD12 . 17939 1 323 . 1 1 40 40 LEU HD13 H 1 0.721 0.01 . . . . . A 40 LEU HD13 . 17939 1 324 . 1 1 40 40 LEU HD21 H 1 0.488 0.01 . . . . . A 40 LEU HD21 . 17939 1 325 . 1 1 40 40 LEU HD22 H 1 0.488 0.01 . . . . . A 40 LEU HD22 . 17939 1 326 . 1 1 40 40 LEU HD23 H 1 0.488 0.01 . . . . . A 40 LEU HD23 . 17939 1 327 . 1 1 40 40 LEU CA C 13 53.485 0.1 . . . . . A 40 LEU CA . 17939 1 328 . 1 1 40 40 LEU CB C 13 45.310 0.1 . . . . . A 40 LEU CB . 17939 1 329 . 1 1 40 40 LEU N N 15 125.021 0.01 . . . . . A 40 LEU N . 17939 1 330 . 1 1 41 41 VAL H H 1 8.815 0.01 . . . . . A 41 VAL H . 17939 1 331 . 1 1 41 41 VAL HA H 1 4.236 0.01 . . . . . A 41 VAL HA . 17939 1 332 . 1 1 41 41 VAL HB H 1 1.812 0.01 . . . . . A 41 VAL HB . 17939 1 333 . 1 1 41 41 VAL HG11 H 1 1.018 0.01 . . . . . A 41 VAL HG11 . 17939 1 334 . 1 1 41 41 VAL HG12 H 1 1.018 0.01 . . . . . A 41 VAL HG12 . 17939 1 335 . 1 1 41 41 VAL HG13 H 1 1.018 0.01 . . . . . A 41 VAL HG13 . 17939 1 336 . 1 1 41 41 VAL HG21 H 1 0.823 0.01 . . . . . A 41 VAL HG21 . 17939 1 337 . 1 1 41 41 VAL HG22 H 1 0.823 0.01 . . . . . A 41 VAL HG22 . 17939 1 338 . 1 1 41 41 VAL HG23 H 1 0.823 0.01 . . . . . A 41 VAL HG23 . 17939 1 339 . 1 1 41 41 VAL CA C 13 62.256 0.1 . . . . . A 41 VAL CA . 17939 1 340 . 1 1 41 41 VAL CB C 13 34.130 0.1 . . . . . A 41 VAL CB . 17939 1 341 . 1 1 41 41 VAL N N 15 123.055 0.01 . . . . . A 41 VAL N . 17939 1 342 . 1 1 42 42 ASP H H 1 9.288 0.01 . . . . . A 42 ASP H . 17939 1 343 . 1 1 42 42 ASP HA H 1 4.293 0.01 . . . . . A 42 ASP HA . 17939 1 344 . 1 1 42 42 ASP HB2 H 1 2.593 0.01 . . . . . A 42 ASP HB2 . 17939 1 345 . 1 1 42 42 ASP HB3 H 1 3.066 0.01 . . . . . A 42 ASP HB3 . 17939 1 346 . 1 1 42 42 ASP N N 15 129.451 0.01 . . . . . A 42 ASP N . 17939 1 347 . 1 1 43 43 GLY HA2 H 1 3.582 0.01 . . . . . A 43 GLY HA2 . 17939 1 348 . 1 1 43 43 GLY HA3 H 1 4.158 0.01 . . . . . A 43 GLY HA3 . 17939 1 349 . 1 1 44 44 ARG H H 1 7.889 0.01 . . . . . A 44 ARG H . 17939 1 350 . 1 1 44 44 ARG HA H 1 4.981 0.01 . . . . . A 44 ARG HA . 17939 1 351 . 1 1 44 44 ARG HB2 H 1 1.777 0.01 . . . . . A 44 ARG HB2 . 17939 1 352 . 1 1 44 44 ARG HB3 H 1 1.777 0.01 . . . . . A 44 ARG HB3 . 17939 1 353 . 1 1 44 44 ARG N N 15 121.162 0.01 . . . . . A 44 ARG N . 17939 1 354 . 1 1 47 47 PRO CA C 13 62.738 0.1 . . . . . A 47 PRO CA . 17939 1 355 . 1 1 47 47 PRO CB C 13 32.266 0.1 . . . . . A 47 PRO CB . 17939 1 356 . 1 1 48 48 GLU H H 1 8.871 0.01 . . . . . A 48 GLU H . 17939 1 357 . 1 1 48 48 GLU HA H 1 4.142 0.01 . . . . . A 48 GLU HA . 17939 1 358 . 1 1 48 48 GLU HB2 H 1 2.059 0.01 . . . . . A 48 GLU HB2 . 17939 1 359 . 1 1 48 48 GLU HB3 H 1 2.154 0.01 . . . . . A 48 GLU HB3 . 17939 1 360 . 1 1 48 48 GLU HG2 H 1 2.346 0.01 . . . . . A 48 GLU HG2 . 17939 1 361 . 1 1 48 48 GLU HG3 H 1 2.346 0.01 . . . . . A 48 GLU HG3 . 17939 1 362 . 1 1 48 48 GLU CA C 13 59.506 0.1 . . . . . A 48 GLU CA . 17939 1 363 . 1 1 48 48 GLU CB C 13 28.180 0.1 . . . . . A 48 GLU CB . 17939 1 364 . 1 1 48 48 GLU N N 15 120.263 0.01 . . . . . A 48 GLU N . 17939 1 365 . 1 1 49 49 ASP H H 1 8.283 0.01 . . . . . A 49 ASP H . 17939 1 366 . 1 1 49 49 ASP HA H 1 4.829 0.01 . . . . . A 49 ASP HA . 17939 1 367 . 1 1 49 49 ASP HB2 H 1 2.779 0.01 . . . . . A 49 ASP HB2 . 17939 1 368 . 1 1 49 49 ASP HB3 H 1 2.894 0.01 . . . . . A 49 ASP HB3 . 17939 1 369 . 1 1 49 49 ASP CA C 13 53.517 0.1 . . . . . A 49 ASP CA . 17939 1 370 . 1 1 49 49 ASP CB C 13 40.100 0.1 . . . . . A 49 ASP CB . 17939 1 371 . 1 1 49 49 ASP N N 15 114.551 0.01 . . . . . A 49 ASP N . 17939 1 372 . 1 1 50 50 GLN H H 1 7.585 0.01 . . . . . A 50 GLN H . 17939 1 373 . 1 1 50 50 GLN HA H 1 4.431 0.01 . . . . . A 50 GLN HA . 17939 1 374 . 1 1 50 50 GLN HB2 H 1 2.257 0.01 . . . . . A 50 GLN HB2 . 17939 1 375 . 1 1 50 50 GLN HB3 H 1 2.517 0.01 . . . . . A 50 GLN HB3 . 17939 1 376 . 1 1 50 50 GLN N N 15 119.954 0.01 . . . . . A 50 GLN N . 17939 1 377 . 1 1 51 51 SER H H 1 8.312 0.01 . . . . . A 51 SER H . 17939 1 378 . 1 1 51 51 SER HA H 1 4.223 0.01 . . . . . A 51 SER HA . 17939 1 379 . 1 1 51 51 SER HB2 H 1 3.718 0.01 . . . . . A 51 SER HB2 . 17939 1 380 . 1 1 51 51 SER HB3 H 1 3.865 0.01 . . . . . A 51 SER HB3 . 17939 1 381 . 1 1 51 51 SER CA C 13 59.388 0.1 . . . . . A 51 SER CA . 17939 1 382 . 1 1 51 51 SER CB C 13 63.959 0.1 . . . . . A 51 SER CB . 17939 1 383 . 1 1 52 52 VAL H H 1 7.661 0.01 . . . . . A 52 VAL H . 17939 1 384 . 1 1 52 52 VAL HA H 1 2.912 0.01 . . . . . A 52 VAL HA . 17939 1 385 . 1 1 52 52 VAL HB H 1 1.614 0.01 . . . . . A 52 VAL HB . 17939 1 386 . 1 1 52 52 VAL HG11 H 1 0.882 0.01 . . . . . A 52 VAL HG11 . 17939 1 387 . 1 1 52 52 VAL HG12 H 1 0.882 0.01 . . . . . A 52 VAL HG12 . 17939 1 388 . 1 1 52 52 VAL HG13 H 1 0.882 0.01 . . . . . A 52 VAL HG13 . 17939 1 389 . 1 1 52 52 VAL HG21 H 1 0.194 0.01 . . . . . A 52 VAL HG21 . 17939 1 390 . 1 1 52 52 VAL HG22 H 1 0.194 0.01 . . . . . A 52 VAL HG22 . 17939 1 391 . 1 1 52 52 VAL HG23 H 1 0.194 0.01 . . . . . A 52 VAL HG23 . 17939 1 392 . 1 1 52 52 VAL CA C 13 64.426 0.1 . . . . . A 52 VAL CA . 17939 1 393 . 1 1 52 52 VAL CB C 13 30.788 0.1 . . . . . A 52 VAL CB . 17939 1 394 . 1 1 52 52 VAL N N 15 122.000 0.01 . . . . . A 52 VAL N . 17939 1 395 . 1 1 53 53 GLU H H 1 7.702 0.01 . . . . . A 53 GLU H . 17939 1 396 . 1 1 53 53 GLU HA H 1 4.665 0.01 . . . . . A 53 GLU HA . 17939 1 397 . 1 1 53 53 GLU HB2 H 1 1.920 0.01 . . . . . A 53 GLU HB2 . 17939 1 398 . 1 1 53 53 GLU HB3 H 1 2.345 0.01 . . . . . A 53 GLU HB3 . 17939 1 399 . 1 1 53 53 GLU HG2 H 1 2.213 0.01 . . . . . A 53 GLU HG2 . 17939 1 400 . 1 1 53 53 GLU HG3 H 1 2.213 0.01 . . . . . A 53 GLU HG3 . 17939 1 401 . 1 1 53 53 GLU CA C 13 56.131 0.1 . . . . . A 53 GLU CA . 17939 1 402 . 1 1 53 53 GLU CB C 13 32.251 0.1 . . . . . A 53 GLU CB . 17939 1 403 . 1 1 53 53 GLU N N 15 124.531 0.01 . . . . . A 53 GLU N . 17939 1 404 . 1 1 54 54 VAL H H 1 7.045 0.01 . . . . . A 54 VAL H . 17939 1 405 . 1 1 54 54 VAL HA H 1 4.861 0.01 . . . . . A 54 VAL HA . 17939 1 406 . 1 1 54 54 VAL HB H 1 2.543 0.01 . . . . . A 54 VAL HB . 17939 1 407 . 1 1 54 54 VAL HG11 H 1 1.085 0.01 . . . . . A 54 VAL HG11 . 17939 1 408 . 1 1 54 54 VAL HG12 H 1 1.085 0.01 . . . . . A 54 VAL HG12 . 17939 1 409 . 1 1 54 54 VAL HG13 H 1 1.085 0.01 . . . . . A 54 VAL HG13 . 17939 1 410 . 1 1 54 54 VAL HG21 H 1 1.085 0.01 . . . . . A 54 VAL HG21 . 17939 1 411 . 1 1 54 54 VAL HG22 H 1 1.085 0.01 . . . . . A 54 VAL HG22 . 17939 1 412 . 1 1 54 54 VAL HG23 H 1 1.085 0.01 . . . . . A 54 VAL HG23 . 17939 1 413 . 1 1 54 54 VAL CA C 13 60.009 0.1 . . . . . A 54 VAL CA . 17939 1 414 . 1 1 54 54 VAL CB C 13 35.722 0.1 . . . . . A 54 VAL CB . 17939 1 415 . 1 1 54 54 VAL N N 15 111.511 0.01 . . . . . A 54 VAL N . 17939 1 416 . 1 1 55 55 ASP H H 1 8.116 0.01 . . . . . A 55 ASP H . 17939 1 417 . 1 1 55 55 ASP CA C 13 53.901 0.1 . . . . . A 55 ASP CA . 17939 1 418 . 1 1 55 55 ASP CB C 13 41.231 0.1 . . . . . A 55 ASP CB . 17939 1 419 . 1 1 55 55 ASP N N 15 114.847 0.01 . . . . . A 55 ASP N . 17939 1 420 . 1 1 56 56 ARG H H 1 7.307 0.01 . . . . . A 56 ARG H . 17939 1 421 . 1 1 56 56 ARG HA H 1 5.526 0.01 . . . . . A 56 ARG HA . 17939 1 422 . 1 1 56 56 ARG HB2 H 1 1.846 0.01 . . . . . A 56 ARG HB2 . 17939 1 423 . 1 1 56 56 ARG HB3 H 1 1.846 0.01 . . . . . A 56 ARG HB3 . 17939 1 424 . 1 1 56 56 ARG CA C 13 55.803 0.1 . . . . . A 56 ARG CA . 17939 1 425 . 1 1 56 56 ARG CB C 13 32.567 0.1 . . . . . A 56 ARG CB . 17939 1 426 . 1 1 56 56 ARG N N 15 120.611 0.01 . . . . . A 56 ARG N . 17939 1 427 . 1 1 57 57 VAL H H 1 8.597 0.01 . . . . . A 57 VAL H . 17939 1 428 . 1 1 57 57 VAL CA C 13 59.549 0.1 . . . . . A 57 VAL CA . 17939 1 429 . 1 1 57 57 VAL CB C 13 35.775 0.1 . . . . . A 57 VAL CB . 17939 1 430 . 1 1 57 57 VAL N N 15 116.213 0.01 . . . . . A 57 VAL N . 17939 1 431 . 1 1 58 58 LYS H H 1 8.196 0.01 . . . . . A 58 LYS H . 17939 1 432 . 1 1 58 58 LYS HA H 1 5.452 0.01 . . . . . A 58 LYS HA . 17939 1 433 . 1 1 58 58 LYS HB2 H 1 1.668 0.01 . . . . . A 58 LYS HB2 . 17939 1 434 . 1 1 58 58 LYS HB3 H 1 1.668 0.01 . . . . . A 58 LYS HB3 . 17939 1 435 . 1 1 58 58 LYS HG2 H 1 1.329 0.01 . . . . . A 58 LYS HG2 . 17939 1 436 . 1 1 58 58 LYS HG3 H 1 1.329 0.01 . . . . . A 58 LYS HG3 . 17939 1 437 . 1 1 58 58 LYS CA C 13 55.229 0.1 . . . . . A 58 LYS CA . 17939 1 438 . 1 1 58 58 LYS CB C 13 36.265 0.1 . . . . . A 58 LYS CB . 17939 1 439 . 1 1 58 58 LYS N N 15 121.254 0.01 . . . . . A 58 LYS N . 17939 1 440 . 1 1 59 59 VAL H H 1 9.271 0.01 . . . . . A 59 VAL H . 17939 1 441 . 1 1 59 59 VAL HA H 1 4.666 0.01 . . . . . A 59 VAL HA . 17939 1 442 . 1 1 59 59 VAL HB H 1 1.876 0.01 . . . . . A 59 VAL HB . 17939 1 443 . 1 1 59 59 VAL HG11 H 1 0.746 0.01 . . . . . A 59 VAL HG11 . 17939 1 444 . 1 1 59 59 VAL HG12 H 1 0.746 0.01 . . . . . A 59 VAL HG12 . 17939 1 445 . 1 1 59 59 VAL HG13 H 1 0.746 0.01 . . . . . A 59 VAL HG13 . 17939 1 446 . 1 1 59 59 VAL HG21 H 1 0.746 0.01 . . . . . A 59 VAL HG21 . 17939 1 447 . 1 1 59 59 VAL HG22 H 1 0.746 0.01 . . . . . A 59 VAL HG22 . 17939 1 448 . 1 1 59 59 VAL HG23 H 1 0.746 0.01 . . . . . A 59 VAL HG23 . 17939 1 449 . 1 1 59 59 VAL CA C 13 61.582 0.1 . . . . . A 59 VAL CA . 17939 1 450 . 1 1 59 59 VAL CB C 13 34.223 0.1 . . . . . A 59 VAL CB . 17939 1 451 . 1 1 59 59 VAL N N 15 122.110 0.01 . . . . . A 59 VAL N . 17939 1 452 . 1 1 60 60 LEU H H 1 9.083 0.01 . . . . . A 60 LEU H . 17939 1 453 . 1 1 60 60 LEU HA H 1 4.803 0.01 . . . . . A 60 LEU HA . 17939 1 454 . 1 1 60 60 LEU HB2 H 1 1.381 0.01 . . . . . A 60 LEU HB2 . 17939 1 455 . 1 1 60 60 LEU HB3 H 1 1.679 0.01 . . . . . A 60 LEU HB3 . 17939 1 456 . 1 1 60 60 LEU HG H 1 1.455 0.01 . . . . . A 60 LEU HG . 17939 1 457 . 1 1 60 60 LEU HD11 H 1 0.867 0.01 . . . . . A 60 LEU HD11 . 17939 1 458 . 1 1 60 60 LEU HD12 H 1 0.867 0.01 . . . . . A 60 LEU HD12 . 17939 1 459 . 1 1 60 60 LEU HD13 H 1 0.867 0.01 . . . . . A 60 LEU HD13 . 17939 1 460 . 1 1 60 60 LEU HD21 H 1 0.867 0.01 . . . . . A 60 LEU HD21 . 17939 1 461 . 1 1 60 60 LEU HD22 H 1 0.867 0.01 . . . . . A 60 LEU HD22 . 17939 1 462 . 1 1 60 60 LEU HD23 H 1 0.867 0.01 . . . . . A 60 LEU HD23 . 17939 1 463 . 1 1 60 60 LEU CA C 13 53.189 0.1 . . . . . A 60 LEU CA . 17939 1 464 . 1 1 60 60 LEU CB C 13 44.412 0.1 . . . . . A 60 LEU CB . 17939 1 465 . 1 1 60 60 LEU N N 15 128.324 0.01 . . . . . A 60 LEU N . 17939 1 466 . 1 1 61 61 ARG H H 1 8.984 0.01 . . . . . A 61 ARG H . 17939 1 467 . 1 1 61 61 ARG N N 15 124.518 0.01 . . . . . A 61 ARG N . 17939 1 468 . 1 1 63 63 ILE HA H 1 4.214 0.01 . . . . . A 63 ILE HA . 17939 1 469 . 1 1 63 63 ILE HB H 1 1.859 0.01 . . . . . A 63 ILE HB . 17939 1 470 . 1 1 63 63 ILE HG12 H 1 1.190 0.01 . . . . . A 63 ILE HG12 . 17939 1 471 . 1 1 63 63 ILE HG13 H 1 1.453 0.01 . . . . . A 63 ILE HG13 . 17939 1 472 . 1 1 63 63 ILE HG21 H 1 0.882 0.01 . . . . . A 63 ILE HG21 . 17939 1 473 . 1 1 63 63 ILE HG22 H 1 0.882 0.01 . . . . . A 63 ILE HG22 . 17939 1 474 . 1 1 63 63 ILE HG23 H 1 0.882 0.01 . . . . . A 63 ILE HG23 . 17939 1 475 . 1 1 63 63 ILE CA C 13 60.904 0.1 . . . . . A 63 ILE CA . 17939 1 476 . 1 1 63 63 ILE CB C 13 38.733 0.1 . . . . . A 63 ILE CB . 17939 1 477 . 1 1 64 64 LYS H H 1 8.536 0.01 . . . . . A 64 LYS H . 17939 1 478 . 1 1 64 64 LYS HA H 1 4.332 0.01 . . . . . A 64 LYS HA . 17939 1 479 . 1 1 64 64 LYS HB2 H 1 1.837 0.01 . . . . . A 64 LYS HB2 . 17939 1 480 . 1 1 64 64 LYS HB3 H 1 1.837 0.01 . . . . . A 64 LYS HB3 . 17939 1 481 . 1 1 64 64 LYS HG2 H 1 1.448 0.01 . . . . . A 64 LYS HG2 . 17939 1 482 . 1 1 64 64 LYS HG3 H 1 1.448 0.01 . . . . . A 64 LYS HG3 . 17939 1 483 . 1 1 64 64 LYS CA C 13 56.789 0.1 . . . . . A 64 LYS CA . 17939 1 484 . 1 1 64 64 LYS CB C 13 32.678 0.1 . . . . . A 64 LYS CB . 17939 1 485 . 1 1 64 64 LYS N N 15 126.091 0.01 . . . . . A 64 LYS N . 17939 1 486 . 1 1 65 65 GLY H H 1 8.549 0.01 . . . . . A 65 GLY H . 17939 1 487 . 1 1 65 65 GLY HA2 H 1 4.011 0.01 . . . . . A 65 GLY HA2 . 17939 1 488 . 1 1 65 65 GLY HA3 H 1 4.011 0.01 . . . . . A 65 GLY HA3 . 17939 1 489 . 1 1 65 65 GLY CA C 13 45.511 0.1 . . . . . A 65 GLY CA . 17939 1 490 . 1 1 65 65 GLY N N 15 111.050 0.01 . . . . . A 65 GLY N . 17939 1 491 . 1 1 66 66 GLY H H 1 8.386 0.01 . . . . . A 66 GLY H . 17939 1 492 . 1 1 66 66 GLY N N 15 108.990 0.01 . . . . . A 66 GLY N . 17939 1 stop_ save_