################################### # 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 50681 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift for the reduced form' _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 3 '3D HN(CA)CO' . . . 50681 1 7 '3D CBCANH' . . . 50681 1 8 '3D (H)CCH-TOCSY' . . . 50681 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50681 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 3 3 ASP H H 1 8.009 0.020 . 1 . . . . . 3 ASP H . 50681 1 2 . 1 . 1 3 3 ASP HA H 1 4.525 0.020 . 1 . . . . . 3 ASP HA . 50681 1 3 . 1 . 1 3 3 ASP HB2 H 1 2.488 0.020 . 2 . . . . . 3 ASP HB2 . 50681 1 4 . 1 . 1 3 3 ASP HB3 H 1 2.716 0.020 . 2 . . . . . 3 ASP HB3 . 50681 1 5 . 1 . 1 3 3 ASP C C 13 173.024 0.3 . 1 . . . . . 3 ASP C . 50681 1 6 . 1 . 1 3 3 ASP CA C 13 49.413 0.3 . 1 . . . . . 3 ASP CA . 50681 1 7 . 1 . 1 3 3 ASP CB C 13 39.308 0.3 . 1 . . . . . 3 ASP CB . 50681 1 8 . 1 . 1 3 3 ASP N N 15 123.410 0.3 . 1 . . . . . 3 ASP N . 50681 1 9 . 1 . 1 7 7 LYS H H 1 7.980 0.020 . 1 . . . . . 7 LYS H . 50681 1 10 . 1 . 1 7 7 LYS HA H 1 4.083 0.020 . 1 . . . . . 7 LYS HA . 50681 1 11 . 1 . 1 7 7 LYS HB2 H 1 1.602 0.020 . 1 . . . . . 7 LYS HB2 . 50681 1 12 . 1 . 1 7 7 LYS HB3 H 1 1.602 0.020 . 1 . . . . . 7 LYS HB3 . 50681 1 13 . 1 . 1 7 7 LYS HG2 H 1 1.253 0.020 . 1 . . . . . 7 LYS HG2 . 50681 1 14 . 1 . 1 7 7 LYS HG3 H 1 1.253 0.020 . 1 . . . . . 7 LYS HG3 . 50681 1 15 . 1 . 1 7 7 LYS HD2 H 1 1.549 0.020 . 1 . . . . . 7 LYS HD2 . 50681 1 16 . 1 . 1 7 7 LYS HD3 H 1 1.549 0.020 . 1 . . . . . 7 LYS HD3 . 50681 1 17 . 1 . 1 7 7 LYS HE2 H 1 2.850 0.020 . 1 . . . . . 7 LYS HE2 . 50681 1 18 . 1 . 1 7 7 LYS HE3 H 1 2.850 0.020 . 1 . . . . . 7 LYS HE3 . 50681 1 19 . 1 . 1 7 7 LYS C C 13 173.516 0.3 . 1 . . . . . 7 LYS C . 50681 1 20 . 1 . 1 7 7 LYS CA C 13 53.574 0.3 . 1 . . . . . 7 LYS CA . 50681 1 21 . 1 . 1 7 7 LYS CB C 13 29.735 0.3 . 1 . . . . . 7 LYS CB . 50681 1 22 . 1 . 1 7 7 LYS CG C 13 21.845 0.3 . 1 . . . . . 7 LYS CG . 50681 1 23 . 1 . 1 7 7 LYS CD C 13 26.186 0.3 . 1 . . . . . 7 LYS CD . 50681 1 24 . 1 . 1 7 7 LYS CE C 13 39.167 0.3 . 1 . . . . . 7 LYS CE . 50681 1 25 . 1 . 1 7 7 LYS N N 15 121.363 0.3 . 1 . . . . . 7 LYS N . 50681 1 26 . 1 . 1 8 8 ARG H H 1 8.033 0.020 . 1 . . . . . 8 ARG H . 50681 1 27 . 1 . 1 8 8 ARG HA H 1 4.096 0.020 . 1 . . . . . 8 ARG HA . 50681 1 28 . 1 . 1 8 8 ARG HB2 H 1 1.497 0.020 . 2 . . . . . 8 ARG HB2 . 50681 1 29 . 1 . 1 8 8 ARG HB3 H 1 1.659 0.020 . 2 . . . . . 8 ARG HB3 . 50681 1 30 . 1 . 1 8 8 ARG HG2 H 1 1.400 0.020 . 1 . . . . . 8 ARG HG2 . 50681 1 31 . 1 . 1 8 8 ARG HG3 H 1 1.400 0.020 . 1 . . . . . 8 ARG HG3 . 50681 1 32 . 1 . 1 8 8 ARG HD2 H 1 3.027 0.020 . 1 . . . . . 8 ARG HD2 . 50681 1 33 . 1 . 1 8 8 ARG HD3 H 1 3.027 0.020 . 1 . . . . . 8 ARG HD3 . 50681 1 34 . 1 . 1 8 8 ARG C C 13 172.918 0.3 . 1 . . . . . 8 ARG C . 50681 1 35 . 1 . 1 8 8 ARG CA C 13 53.310 0.3 . 1 . . . . . 8 ARG CA . 50681 1 36 . 1 . 1 8 8 ARG CB C 13 27.670 0.3 . 1 . . . . . 8 ARG CB . 50681 1 37 . 1 . 1 8 8 ARG CG C 13 24.091 0.3 . 1 . . . . . 8 ARG CG . 50681 1 38 . 1 . 1 8 8 ARG CD C 13 40.301 0.3 . 1 . . . . . 8 ARG CD . 50681 1 39 . 1 . 1 8 8 ARG N N 15 120.961 0.3 . 1 . . . . . 8 ARG N . 50681 1 40 . 1 . 1 9 9 PHE H H 1 8.000 0.020 . 1 . . . . . 9 PHE H . 50681 1 41 . 1 . 1 9 9 PHE HA H 1 4.458 0.020 . 1 . . . . . 9 PHE HA . 50681 1 42 . 1 . 1 9 9 PHE HB2 H 1 2.400 0.020 . 2 . . . . . 9 PHE HB2 . 50681 1 43 . 1 . 1 9 9 PHE HB3 H 1 2.538 0.020 . 2 . . . . . 9 PHE HB3 . 50681 1 44 . 1 . 1 9 9 PHE C C 13 173.015 0.3 . 1 . . . . . 9 PHE C . 50681 1 45 . 1 . 1 9 9 PHE CA C 13 53.134 0.3 . 1 . . . . . 9 PHE CA . 50681 1 46 . 1 . 1 9 9 PHE CB C 13 36.876 0.3 . 1 . . . . . 9 PHE CB . 50681 1 47 . 1 . 1 9 9 PHE N N 15 120.477 0.3 . 1 . . . . . 9 PHE N . 50681 1 48 . 1 . 1 11 11 VAL H H 1 7.981 0.020 . 1 . . . . . 11 VAL H . 50681 1 49 . 1 . 1 11 11 VAL HA H 1 4.164 0.020 . 1 . . . . . 11 VAL HA . 50681 1 50 . 1 . 1 11 11 VAL HB H 1 1.611 0.020 . 1 . . . . . 11 VAL HB . 50681 1 51 . 1 . 1 11 11 VAL HG11 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1 52 . 1 . 1 11 11 VAL HG12 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1 53 . 1 . 1 11 11 VAL HG13 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1 54 . 1 . 1 11 11 VAL HG21 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1 55 . 1 . 1 11 11 VAL HG22 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1 56 . 1 . 1 11 11 VAL HG23 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1 57 . 1 . 1 11 11 VAL C C 13 173.488 0.3 . 1 . . . . . 11 VAL C . 50681 1 58 . 1 . 1 11 11 VAL CA C 13 53.600 0.3 . 1 . . . . . 11 VAL CA . 50681 1 59 . 1 . 1 11 11 VAL CB C 13 29.754 0.3 . 1 . . . . . 11 VAL CB . 50681 1 60 . 1 . 1 11 11 VAL CG1 C 13 26.188 0.3 . 1 . . . . . 11 VAL CG1 . 50681 1 61 . 1 . 1 11 11 VAL CG2 C 13 21.870 0.3 . 1 . . . . . 11 VAL CG2 . 50681 1 62 . 1 . 1 11 11 VAL N N 15 121.408 0.3 . 1 . . . . . 11 VAL N . 50681 1 63 . 1 . 1 12 12 LYS H H 1 8.487 0.020 . 1 . . . . . 12 LYS H . 50681 1 64 . 1 . 1 12 12 LYS HA H 1 4.409 0.020 . 1 . . . . . 12 LYS HA . 50681 1 65 . 1 . 1 12 12 LYS HB2 H 1 2.985 0.020 . 1 . . . . . 12 LYS HB2 . 50681 1 66 . 1 . 1 12 12 LYS HB3 H 1 2.985 0.020 . 1 . . . . . 12 LYS HB3 . 50681 1 67 . 1 . 1 12 12 LYS C C 13 173.035 0.3 . 1 . . . . . 12 LYS C . 50681 1 68 . 1 . 1 12 12 LYS CA C 13 53.864 0.3 . 1 . . . . . 12 LYS CA . 50681 1 69 . 1 . 1 12 12 LYS CB C 13 27.356 0.3 . 1 . . . . . 12 LYS CB . 50681 1 70 . 1 . 1 12 12 LYS N N 15 123.340 0.3 . 1 . . . . . 12 LYS N . 50681 1 71 . 1 . 1 13 13 ASP H H 1 8.172 0.020 . 1 . . . . . 13 ASP H . 50681 1 72 . 1 . 1 13 13 ASP HA H 1 4.185 0.020 . 1 . . . . . 13 ASP HA . 50681 1 73 . 1 . 1 13 13 ASP HB2 H 1 2.558 0.020 . 1 . . . . . 13 ASP HB2 . 50681 1 74 . 1 . 1 13 13 ASP HB3 H 1 2.558 0.020 . 1 . . . . . 13 ASP HB3 . 50681 1 75 . 1 . 1 13 13 ASP C C 13 173.455 0.3 . 1 . . . . . 13 ASP C . 50681 1 76 . 1 . 1 13 13 ASP CA C 13 53.653 0.3 . 1 . . . . . 13 ASP CA . 50681 1 77 . 1 . 1 13 13 ASP CB C 13 38.103 0.3 . 1 . . . . . 13 ASP CB . 50681 1 78 . 1 . 1 13 13 ASP N N 15 121.290 0.3 . 1 . . . . . 13 ASP N . 50681 1 79 . 1 . 1 16 16 ASN H H 1 8.314 0.020 . 1 . . . . . 16 ASN H . 50681 1 80 . 1 . 1 16 16 ASN HA H 1 4.527 0.020 . 1 . . . . . 16 ASN HA . 50681 1 81 . 1 . 1 16 16 ASN HB2 H 1 2.708 0.020 . 2 . . . . . 16 ASN HB2 . 50681 1 82 . 1 . 1 16 16 ASN HB3 H 1 2.662 0.020 . 2 . . . . . 16 ASN HB3 . 50681 1 83 . 1 . 1 16 16 ASN C C 13 172.567 0.3 . 1 . . . . . 16 ASN C . 50681 1 84 . 1 . 1 16 16 ASN CA C 13 50.776 0.3 . 1 . . . . . 16 ASN CA . 50681 1 85 . 1 . 1 16 16 ASN CB C 13 35.692 0.3 . 1 . . . . . 16 ASN CB . 50681 1 86 . 1 . 1 16 16 ASN N N 15 118.679 0.3 . 1 . . . . . 16 ASN N . 50681 1 87 . 1 . 1 17 17 LYS H H 1 8.110 0.020 . 1 . . . . . 17 LYS H . 50681 1 88 . 1 . 1 17 17 LYS HA H 1 4.186 0.020 . 1 . . . . . 17 LYS HA . 50681 1 89 . 1 . 1 17 17 LYS HB2 H 1 1.601 0.020 . 2 . . . . . 17 LYS HB2 . 50681 1 90 . 1 . 1 17 17 LYS HB3 H 1 1.731 0.020 . 2 . . . . . 17 LYS HB3 . 50681 1 91 . 1 . 1 17 17 LYS HG2 H 1 1.261 0.020 . 1 . . . . . 17 LYS HG2 . 50681 1 92 . 1 . 1 17 17 LYS HG3 H 1 1.261 0.020 . 1 . . . . . 17 LYS HG3 . 50681 1 93 . 1 . 1 17 17 LYS HD2 H 1 1.554 0.020 . 1 . . . . . 17 LYS HD2 . 50681 1 94 . 1 . 1 17 17 LYS HD3 H 1 1.554 0.020 . 1 . . . . . 17 LYS HD3 . 50681 1 95 . 1 . 1 17 17 LYS HE2 H 1 2.846 0.020 . 1 . . . . . 17 LYS HE2 . 50681 1 96 . 1 . 1 17 17 LYS HE3 H 1 2.846 0.020 . 1 . . . . . 17 LYS HE3 . 50681 1 97 . 1 . 1 17 17 LYS C C 13 172.766 0.3 . 1 . . . . . 17 LYS C . 50681 1 98 . 1 . 1 17 17 LYS CA C 13 53.346 0.3 . 1 . . . . . 17 LYS CA . 50681 1 99 . 1 . 1 17 17 LYS CB C 13 29.729 0.3 . 1 . . . . . 17 LYS CB . 50681 1 100 . 1 . 1 17 17 LYS CG C 13 21.706 0.3 . 1 . . . . . 17 LYS CG . 50681 1 101 . 1 . 1 17 17 LYS CD C 13 26.036 0.3 . 1 . . . . . 17 LYS CD . 50681 1 102 . 1 . 1 17 17 LYS CE C 13 38.896 0.3 . 1 . . . . . 17 LYS CE . 50681 1 103 . 1 . 1 17 17 LYS N N 15 121.359 0.3 . 1 . . . . . 17 LYS N . 50681 1 104 . 1 . 1 18 18 ALA H H 1 7.951 0.020 . 1 . . . . . 18 ALA H . 50681 1 105 . 1 . 1 18 18 ALA HA H 1 4.332 0.020 . 1 . . . . . 18 ALA HA . 50681 1 106 . 1 . 1 18 18 ALA HB1 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1 107 . 1 . 1 18 18 ALA HB2 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1 108 . 1 . 1 18 18 ALA HB3 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1 109 . 1 . 1 18 18 ALA C C 13 174.852 0.3 . 1 . . . . . 18 ALA C . 50681 1 110 . 1 . 1 18 18 ALA CA C 13 48.947 0.3 . 1 . . . . . 18 ALA CA . 50681 1 111 . 1 . 1 18 18 ALA CB C 13 16.603 0.3 . 1 . . . . . 18 ALA CB . 50681 1 112 . 1 . 1 18 18 ALA N N 15 123.792 0.3 . 1 . . . . . 18 ALA N . 50681 1 113 . 1 . 1 19 19 MET H H 1 7.864 0.020 . 1 . . . . . 19 MET H . 50681 1 114 . 1 . 1 19 19 MET C C 13 172.567 0.3 . 1 . . . . . 19 MET C . 50681 1 115 . 1 . 1 19 19 MET CA C 13 54.424 0.3 . 1 . . . . . 19 MET CA . 50681 1 116 . 1 . 1 19 19 MET CB C 13 30.352 0.3 . 1 . . . . . 19 MET CB . 50681 1 117 . 1 . 1 19 19 MET N N 15 118.336 0.3 . 1 . . . . . 19 MET N . 50681 1 118 . 1 . 1 20 20 ILE H H 1 9.386 0.020 . 1 . . . . . 20 ILE H . 50681 1 119 . 1 . 1 20 20 ILE HA H 1 3.881 0.020 . 1 . . . . . 20 ILE HA . 50681 1 120 . 1 . 1 20 20 ILE HB H 1 1.664 0.020 . 1 . . . . . 20 ILE HB . 50681 1 121 . 1 . 1 20 20 ILE HG12 H 1 1.024 0.020 . 2 . . . . . 20 ILE HG12 . 50681 1 122 . 1 . 1 20 20 ILE HG13 H 1 1.296 0.020 . 2 . . . . . 20 ILE HG13 . 50681 1 123 . 1 . 1 20 20 ILE HG21 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1 124 . 1 . 1 20 20 ILE HG22 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1 125 . 1 . 1 20 20 ILE HG23 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1 126 . 1 . 1 20 20 ILE HD11 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1 127 . 1 . 1 20 20 ILE HD12 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1 128 . 1 . 1 20 20 ILE HD13 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1 129 . 1 . 1 20 20 ILE CA C 13 60.638 0.3 . 1 . . . . . 20 ILE CA . 50681 1 130 . 1 . 1 20 20 ILE CB C 13 36.346 0.3 . 1 . . . . . 20 ILE CB . 50681 1 131 . 1 . 1 20 20 ILE CG1 C 13 24.250 0.3 . 1 . . . . . 20 ILE CG1 . 50681 1 132 . 1 . 1 20 20 ILE CG2 C 13 14.559 0.3 . 1 . . . . . 20 ILE CG2 . 50681 1 133 . 1 . 1 20 20 ILE CD1 C 13 9.978 0.3 . 1 . . . . . 20 ILE CD1 . 50681 1 134 . 1 . 1 20 20 ILE N N 15 121.468 0.3 . 1 . . . . . 20 ILE N . 50681 1 135 . 1 . 1 24 24 ILE H H 1 9.229 0.020 . 1 . . . . . 24 ILE H . 50681 1 136 . 1 . 1 24 24 ILE HA H 1 4.073 0.020 . 1 . . . . . 24 ILE HA . 50681 1 137 . 1 . 1 24 24 ILE HB H 1 1.963 0.020 . 1 . . . . . 24 ILE HB . 50681 1 138 . 1 . 1 24 24 ILE HG12 H 1 1.307 0.020 . 2 . . . . . 24 ILE HG12 . 50681 1 139 . 1 . 1 24 24 ILE HG13 H 1 1.032 0.020 . 2 . . . . . 24 ILE HG13 . 50681 1 140 . 1 . 1 24 24 ILE HG21 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1 141 . 1 . 1 24 24 ILE HG22 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1 142 . 1 . 1 24 24 ILE HG23 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1 143 . 1 . 1 24 24 ILE HD11 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1 144 . 1 . 1 24 24 ILE HD12 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1 145 . 1 . 1 24 24 ILE HD13 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1 146 . 1 . 1 24 24 ILE C C 13 172.629 0.3 . 1 . . . . . 24 ILE C . 50681 1 147 . 1 . 1 24 24 ILE CA C 13 60.351 0.3 . 1 . . . . . 24 ILE CA . 50681 1 148 . 1 . 1 24 24 ILE CB C 13 35.818 0.3 . 1 . . . . . 24 ILE CB . 50681 1 149 . 1 . 1 24 24 ILE CG1 C 13 24.276 0.3 . 1 . . . . . 24 ILE CG1 . 50681 1 150 . 1 . 1 24 24 ILE CG2 C 13 14.417 0.3 . 1 . . . . . 24 ILE CG2 . 50681 1 151 . 1 . 1 24 24 ILE CD1 C 13 9.683 0.3 . 1 . . . . . 24 ILE CD1 . 50681 1 152 . 1 . 1 24 24 ILE N N 15 125.005 0.3 . 1 . . . . . 24 ILE N . 50681 1 153 . 1 . 1 25 25 GLN H H 1 9.086 0.020 . 1 . . . . . 25 GLN H . 50681 1 154 . 1 . 1 25 25 GLN HA H 1 3.856 0.020 . 1 . . . . . 25 GLN HA . 50681 1 155 . 1 . 1 25 25 GLN HB2 H 1 2.315 0.020 . 2 . . . . . 25 GLN HB2 . 50681 1 156 . 1 . 1 25 25 GLN HB3 H 1 1.873 0.020 . 2 . . . . . 25 GLN HB3 . 50681 1 157 . 1 . 1 25 25 GLN HG2 H 1 2.377 0.020 . 1 . . . . . 25 GLN HG2 . 50681 1 158 . 1 . 1 25 25 GLN HG3 H 1 2.377 0.020 . 1 . . . . . 25 GLN HG3 . 50681 1 159 . 1 . 1 25 25 GLN C C 13 173.595 0.3 . 1 . . . . . 25 GLN C . 50681 1 160 . 1 . 1 25 25 GLN CA C 13 53.388 0.3 . 1 . . . . . 25 GLN CA . 50681 1 161 . 1 . 1 25 25 GLN CB C 13 26.192 0.3 . 1 . . . . . 25 GLN CB . 50681 1 162 . 1 . 1 25 25 GLN CG C 13 31.843 0.3 . 1 . . . . . 25 GLN CG . 50681 1 163 . 1 . 1 25 25 GLN N N 15 125.723 0.3 . 1 . . . . . 25 GLN N . 50681 1 164 . 1 . 1 26 26 LYS H H 1 8.542 0.020 . 1 . . . . . 26 LYS H . 50681 1 165 . 1 . 1 26 26 LYS HA H 1 3.856 0.020 . 1 . . . . . 26 LYS HA . 50681 1 166 . 1 . 1 26 26 LYS HB2 H 1 1.556 0.020 . 1 . . . . . 26 LYS HB2 . 50681 1 167 . 1 . 1 26 26 LYS HB3 H 1 1.556 0.020 . 1 . . . . . 26 LYS HB3 . 50681 1 168 . 1 . 1 26 26 LYS HG2 H 1 1.551 0.020 . 2 . . . . . 26 LYS HG2 . 50681 1 169 . 1 . 1 26 26 LYS HG3 H 1 1.313 0.020 . 2 . . . . . 26 LYS HG3 . 50681 1 170 . 1 . 1 26 26 LYS HD2 H 1 1.556 0.020 . 2 . . . . . 26 LYS HD2 . 50681 1 171 . 1 . 1 26 26 LYS HD3 H 1 1.400 0.020 . 2 . . . . . 26 LYS HD3 . 50681 1 172 . 1 . 1 26 26 LYS HE2 H 1 2.850 0.020 . 1 . . . . . 26 LYS HE2 . 50681 1 173 . 1 . 1 26 26 LYS HE3 H 1 2.850 0.020 . 1 . . . . . 26 LYS HE3 . 50681 1 174 . 1 . 1 26 26 LYS C C 13 173.843 0.3 . 1 . . . . . 26 LYS C . 50681 1 175 . 1 . 1 26 26 LYS CA C 13 53.080 0.3 . 1 . . . . . 26 LYS CA . 50681 1 176 . 1 . 1 26 26 LYS CB C 13 26.618 0.3 . 1 . . . . . 26 LYS CB . 50681 1 177 . 1 . 1 26 26 LYS CG C 13 21.820 0.3 . 1 . . . . . 26 LYS CG . 50681 1 178 . 1 . 1 26 26 LYS CD C 13 22.980 0.3 . 1 . . . . . 26 LYS CD . 50681 1 179 . 1 . 1 26 26 LYS CE C 13 39.420 0.3 . 1 . . . . . 26 LYS CE . 50681 1 180 . 1 . 1 26 26 LYS N N 15 116.228 0.3 . 1 . . . . . 26 LYS N . 50681 1 181 . 1 . 1 27 27 ASP H H 1 8.676 0.020 . 1 . . . . . 27 ASP H . 50681 1 182 . 1 . 1 27 27 ASP HA H 1 4.355 0.020 . 1 . . . . . 27 ASP HA . 50681 1 183 . 1 . 1 27 27 ASP HB2 H 1 2.587 0.020 . 2 . . . . . 27 ASP HB2 . 50681 1 184 . 1 . 1 27 27 ASP HB3 H 1 2.493 0.020 . 2 . . . . . 27 ASP HB3 . 50681 1 185 . 1 . 1 27 27 ASP C C 13 172.415 0.3 . 1 . . . . . 27 ASP C . 50681 1 186 . 1 . 1 27 27 ASP CA C 13 50.734 0.3 . 1 . . . . . 27 ASP CA . 50681 1 187 . 1 . 1 27 27 ASP CB C 13 36.902 0.3 . 1 . . . . . 27 ASP CB . 50681 1 188 . 1 . 1 27 27 ASP N N 15 116.582 0.3 . 1 . . . . . 27 ASP N . 50681 1 189 . 1 . 1 28 28 ASN H H 1 7.858 0.020 . 1 . . . . . 28 ASN H . 50681 1 190 . 1 . 1 28 28 ASN HA H 1 4.865 0.020 . 1 . . . . . 28 ASN HA . 50681 1 191 . 1 . 1 28 28 ASN HB2 H 1 3.096 0.020 . 2 . . . . . 28 ASN HB2 . 50681 1 192 . 1 . 1 28 28 ASN HB3 H 1 2.557 0.020 . 2 . . . . . 28 ASN HB3 . 50681 1 193 . 1 . 1 28 28 ASN C C 13 171.539 0.3 . 1 . . . . . 28 ASN C . 50681 1 194 . 1 . 1 28 28 ASN CA C 13 46.836 0.3 . 1 . . . . . 28 ASN CA . 50681 1 195 . 1 . 1 28 28 ASN CB C 13 37.008 0.3 . 1 . . . . . 28 ASN CB . 50681 1 196 . 1 . 1 28 28 ASN N N 15 122.551 0.3 . 1 . . . . . 28 ASN N . 50681 1 197 . 1 . 1 32 32 VAL H H 1 7.529 0.020 . 1 . . . . . 32 VAL H . 50681 1 198 . 1 . 1 32 32 VAL HA H 1 4.629 0.020 . 1 . . . . . 32 VAL HA . 50681 1 199 . 1 . 1 32 32 VAL HB H 1 1.744 0.020 . 1 . . . . . 32 VAL HB . 50681 1 200 . 1 . 1 32 32 VAL HG11 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1 201 . 1 . 1 32 32 VAL HG12 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1 202 . 1 . 1 32 32 VAL HG13 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1 203 . 1 . 1 32 32 VAL HG21 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1 204 . 1 . 1 32 32 VAL HG22 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1 205 . 1 . 1 32 32 VAL HG23 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1 206 . 1 . 1 32 32 VAL C C 13 173.386 0.3 . 1 . . . . . 32 VAL C . 50681 1 207 . 1 . 1 32 32 VAL CA C 13 57.245 0.3 . 1 . . . . . 32 VAL CA . 50681 1 208 . 1 . 1 32 32 VAL CB C 13 32.150 0.3 . 1 . . . . . 32 VAL CB . 50681 1 209 . 1 . 1 32 32 VAL CG1 C 13 19.046 0.3 . 1 . . . . . 32 VAL CG1 . 50681 1 210 . 1 . 1 32 32 VAL CG2 C 13 17.871 0.3 . 1 . . . . . 32 VAL CG2 . 50681 1 211 . 1 . 1 32 32 VAL N N 15 127.043 0.3 . 1 . . . . . 32 VAL N . 50681 1 212 . 1 . 1 33 33 HIS H H 1 7.673 0.020 . 1 . . . . . 33 HIS H . 50681 1 213 . 1 . 1 33 33 HIS HA H 1 4.550 0.020 . 1 . . . . . 33 HIS HA . 50681 1 214 . 1 . 1 33 33 HIS HB2 H 1 2.705 0.020 . 2 . . . . . 33 HIS HB2 . 50681 1 215 . 1 . 1 33 33 HIS HB3 H 1 2.461 0.020 . 2 . . . . . 33 HIS HB3 . 50681 1 216 . 1 . 1 33 33 HIS C C 13 169.597 0.3 . 1 . . . . . 33 HIS C . 50681 1 217 . 1 . 1 33 33 HIS CA C 13 54.714 0.3 . 1 . . . . . 33 HIS CA . 50681 1 218 . 1 . 1 33 33 HIS CB C 13 32.075 0.3 . 1 . . . . . 33 HIS CB . 50681 1 219 . 1 . 1 33 33 HIS N N 15 124.760 0.3 . 1 . . . . . 33 HIS N . 50681 1 220 . 1 . 1 34 34 ALA H H 1 8.048 0.020 . 1 . . . . . 34 ALA H . 50681 1 221 . 1 . 1 34 34 ALA HA H 1 5.550 0.020 . 1 . . . . . 34 ALA HA . 50681 1 222 . 1 . 1 34 34 ALA HB1 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1 223 . 1 . 1 34 34 ALA HB2 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1 224 . 1 . 1 34 34 ALA HB3 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1 225 . 1 . 1 34 34 ALA C C 13 172.900 0.3 . 1 . . . . . 34 ALA C . 50681 1 226 . 1 . 1 34 34 ALA CA C 13 47.188 0.3 . 1 . . . . . 34 ALA CA . 50681 1 227 . 1 . 1 34 34 ALA CB C 13 18.536 0.3 . 1 . . . . . 34 ALA CB . 50681 1 228 . 1 . 1 34 34 ALA N N 15 123.958 0.3 . 1 . . . . . 34 ALA N . 50681 1 229 . 1 . 1 35 35 PHE H H 1 8.813 0.020 . 1 . . . . . 35 PHE H . 50681 1 230 . 1 . 1 35 35 PHE HA H 1 4.594 0.020 . 1 . . . . . 35 PHE HA . 50681 1 231 . 1 . 1 35 35 PHE HB2 H 1 3.027 0.020 . 2 . . . . . 35 PHE HB2 . 50681 1 232 . 1 . 1 35 35 PHE HB3 H 1 2.490 0.020 . 2 . . . . . 35 PHE HB3 . 50681 1 233 . 1 . 1 35 35 PHE C C 13 171.045 0.3 . 1 . . . . . 35 PHE C . 50681 1 234 . 1 . 1 35 35 PHE CA C 13 53.873 0.3 . 1 . . . . . 35 PHE CA . 50681 1 235 . 1 . 1 35 35 PHE CB C 13 40.517 0.3 . 1 . . . . . 35 PHE CB . 50681 1 236 . 1 . 1 35 35 PHE N N 15 119.975 0.3 . 1 . . . . . 35 PHE N . 50681 1 237 . 1 . 1 36 36 ASP H H 1 8.743 0.020 . 1 . . . . . 36 ASP H . 50681 1 238 . 1 . 1 36 36 ASP HA H 1 5.471 0.020 . 1 . . . . . 36 ASP HA . 50681 1 239 . 1 . 1 36 36 ASP HB2 H 1 2.650 0.020 . 2 . . . . . 36 ASP HB2 . 50681 1 240 . 1 . 1 36 36 ASP HB3 H 1 2.484 0.020 . 2 . . . . . 36 ASP HB3 . 50681 1 241 . 1 . 1 36 36 ASP C C 13 175.556 0.3 . 1 . . . . . 36 ASP C . 50681 1 242 . 1 . 1 36 36 ASP CA C 13 49.669 0.3 . 1 . . . . . 36 ASP CA . 50681 1 243 . 1 . 1 36 36 ASP CB C 13 37.525 0.3 . 1 . . . . . 36 ASP CB . 50681 1 244 . 1 . 1 36 36 ASP N N 15 121.693 0.3 . 1 . . . . . 36 ASP N . 50681 1 245 . 1 . 1 37 37 MET H H 1 9.246 0.020 . 1 . . . . . 37 MET H . 50681 1 246 . 1 . 1 37 37 MET HA H 1 3.763 0.020 . 1 . . . . . 37 MET HA . 50681 1 247 . 1 . 1 37 37 MET HB2 H 1 1.916 0.020 . 2 . . . . . 37 MET HB2 . 50681 1 248 . 1 . 1 37 37 MET HB3 H 1 1.848 0.020 . 2 . . . . . 37 MET HB3 . 50681 1 249 . 1 . 1 37 37 MET HG2 H 1 2.359 0.020 . 2 . . . . . 37 MET HG2 . 50681 1 250 . 1 . 1 37 37 MET HG3 H 1 2.249 0.020 . 2 . . . . . 37 MET HG3 . 50681 1 251 . 1 . 1 37 37 MET C C 13 174.833 0.3 . 1 . . . . . 37 MET C . 50681 1 252 . 1 . 1 37 37 MET CA C 13 56.520 0.3 . 1 . . . . . 37 MET CA . 50681 1 253 . 1 . 1 37 37 MET CB C 13 30.288 0.3 . 1 . . . . . 37 MET CB . 50681 1 254 . 1 . 1 37 37 MET CG C 13 29.282 0.3 . 1 . . . . . 37 MET CG . 50681 1 255 . 1 . 1 37 37 MET N N 15 123.829 0.3 . 1 . . . . . 37 MET N . 50681 1 256 . 1 . 1 38 38 GLU H H 1 10.149 0.020 . 1 . . . . . 38 GLU H . 50681 1 257 . 1 . 1 38 38 GLU HA H 1 3.865 0.020 . 1 . . . . . 38 GLU HA . 50681 1 258 . 1 . 1 38 38 GLU HB2 H 1 1.952 0.020 . 2 . . . . . 38 GLU HB2 . 50681 1 259 . 1 . 1 38 38 GLU HB3 H 1 1.721 0.020 . 2 . . . . . 38 GLU HB3 . 50681 1 260 . 1 . 1 38 38 GLU HG2 H 1 2.474 0.020 . 2 . . . . . 38 GLU HG2 . 50681 1 261 . 1 . 1 38 38 GLU HG3 H 1 2.208 0.020 . 2 . . . . . 38 GLU HG3 . 50681 1 262 . 1 . 1 38 38 GLU C C 13 174.369 0.3 . 1 . . . . . 38 GLU C . 50681 1 263 . 1 . 1 38 38 GLU CA C 13 57.249 0.3 . 1 . . . . . 38 GLU CA . 50681 1 264 . 1 . 1 38 38 GLU CB C 13 25.765 0.3 . 1 . . . . . 38 GLU CB . 50681 1 265 . 1 . 1 38 38 GLU CG C 13 35.019 0.3 . 1 . . . . . 38 GLU CG . 50681 1 266 . 1 . 1 38 38 GLU N N 15 118.915 0.3 . 1 . . . . . 38 GLU N . 50681 1 267 . 1 . 1 39 39 ASP H H 1 7.798 0.020 . 1 . . . . . 39 ASP H . 50681 1 268 . 1 . 1 39 39 ASP HA H 1 4.683 0.020 . 1 . . . . . 39 ASP HA . 50681 1 269 . 1 . 1 39 39 ASP HB2 H 1 2.902 0.020 . 2 . . . . . 39 ASP HB2 . 50681 1 270 . 1 . 1 39 39 ASP HB3 H 1 2.803 0.020 . 2 . . . . . 39 ASP HB3 . 50681 1 271 . 1 . 1 39 39 ASP C C 13 174.321 0.3 . 1 . . . . . 39 ASP C . 50681 1 272 . 1 . 1 39 39 ASP CA C 13 51.571 0.3 . 1 . . . . . 39 ASP CA . 50681 1 273 . 1 . 1 39 39 ASP CB C 13 38.554 0.3 . 1 . . . . . 39 ASP CB . 50681 1 274 . 1 . 1 39 39 ASP N N 15 116.239 0.3 . 1 . . . . . 39 ASP N . 50681 1 275 . 1 . 1 40 40 LEU H H 1 7.316 0.020 . 1 . . . . . 40 LEU H . 50681 1 276 . 1 . 1 40 40 LEU HA H 1 3.950 0.020 . 1 . . . . . 40 LEU HA . 50681 1 277 . 1 . 1 40 40 LEU HB2 H 1 1.641 0.020 . 2 . . . . . 40 LEU HB2 . 50681 1 278 . 1 . 1 40 40 LEU HB3 H 1 1.363 0.020 . 2 . . . . . 40 LEU HB3 . 50681 1 279 . 1 . 1 40 40 LEU HG H 1 1.801 0.020 . 1 . . . . . 40 LEU HG . 50681 1 280 . 1 . 1 40 40 LEU HD11 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1 281 . 1 . 1 40 40 LEU HD12 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1 282 . 1 . 1 40 40 LEU HD13 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1 283 . 1 . 1 40 40 LEU HD21 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1 284 . 1 . 1 40 40 LEU HD22 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1 285 . 1 . 1 40 40 LEU HD23 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1 286 . 1 . 1 40 40 LEU C C 13 174.528 0.3 . 1 . . . . . 40 LEU C . 50681 1 287 . 1 . 1 40 40 LEU CA C 13 53.571 0.3 . 1 . . . . . 40 LEU CA . 50681 1 288 . 1 . 1 40 40 LEU CB C 13 39.282 0.3 . 1 . . . . . 40 LEU CB . 50681 1 289 . 1 . 1 40 40 LEU CG C 13 24.534 0.3 . 1 . . . . . 40 LEU CG . 50681 1 290 . 1 . 1 40 40 LEU CD1 C 13 21.906 0.3 . 1 . . . . . 40 LEU CD1 . 50681 1 291 . 1 . 1 40 40 LEU CD2 C 13 20.801 0.3 . 1 . . . . . 40 LEU CD2 . 50681 1 292 . 1 . 1 40 40 LEU N N 15 120.530 0.3 . 1 . . . . . 40 LEU N . 50681 1 293 . 1 . 1 41 41 GLY H H 1 7.815 0.020 . 1 . . . . . 41 GLY H . 50681 1 294 . 1 . 1 41 41 GLY HA2 H 1 3.961 0.020 . 1 . . . . . 41 GLY HA2 . 50681 1 295 . 1 . 1 41 41 GLY HA3 H 1 3.961 0.020 . 1 . . . . . 41 GLY HA3 . 50681 1 296 . 1 . 1 41 41 GLY C C 13 171.044 0.3 . 1 . . . . . 41 GLY C . 50681 1 297 . 1 . 1 41 41 GLY CA C 13 41.734 0.3 . 1 . . . . . 41 GLY CA . 50681 1 298 . 1 . 1 41 41 GLY N N 15 107.129 0.3 . 1 . . . . . 41 GLY N . 50681 1 299 . 1 . 1 42 42 ASP H H 1 8.262 0.020 . 1 . . . . . 42 ASP H . 50681 1 300 . 1 . 1 42 42 ASP HA H 1 4.189 0.020 . 1 . . . . . 42 ASP HA . 50681 1 301 . 1 . 1 42 42 ASP HB2 H 1 2.454 0.020 . 2 . . . . . 42 ASP HB2 . 50681 1 302 . 1 . 1 42 42 ASP HB3 H 1 2.411 0.020 . 2 . . . . . 42 ASP HB3 . 50681 1 303 . 1 . 1 42 42 ASP C C 13 173.492 0.3 . 1 . . . . . 42 ASP C . 50681 1 304 . 1 . 1 42 42 ASP CA C 13 53.355 0.3 . 1 . . . . . 42 ASP CA . 50681 1 305 . 1 . 1 42 42 ASP CB C 13 38.107 0.3 . 1 . . . . . 42 ASP CB . 50681 1 306 . 1 . 1 42 42 ASP N N 15 120.126 0.3 . 1 . . . . . 42 ASP N . 50681 1 307 . 1 . 1 43 43 LYS H H 1 7.290 0.020 . 1 . . . . . 43 LYS H . 50681 1 308 . 1 . 1 43 43 LYS HA H 1 4.629 0.020 . 1 . . . . . 43 LYS HA . 50681 1 309 . 1 . 1 43 43 LYS HB2 H 1 1.418 0.020 . 1 . . . . . 43 LYS HB2 . 50681 1 310 . 1 . 1 43 43 LYS HB3 H 1 1.418 0.020 . 1 . . . . . 43 LYS HB3 . 50681 1 311 . 1 . 1 43 43 LYS HG2 H 1 1.263 0.020 . 1 . . . . . 43 LYS HG2 . 50681 1 312 . 1 . 1 43 43 LYS HG3 H 1 1.263 0.020 . 1 . . . . . 43 LYS HG3 . 50681 1 313 . 1 . 1 43 43 LYS HD2 H 1 1.548 0.020 . 1 . . . . . 43 LYS HD2 . 50681 1 314 . 1 . 1 43 43 LYS HD3 H 1 1.548 0.020 . 1 . . . . . 43 LYS HD3 . 50681 1 315 . 1 . 1 43 43 LYS HE2 H 1 2.573 0.020 . 1 . . . . . 43 LYS HE2 . 50681 1 316 . 1 . 1 43 43 LYS HE3 H 1 2.573 0.020 . 1 . . . . . 43 LYS HE3 . 50681 1 317 . 1 . 1 43 43 LYS C C 13 170.701 0.3 . 1 . . . . . 43 LYS C . 50681 1 318 . 1 . 1 43 43 LYS CA C 13 53.603 0.3 . 1 . . . . . 43 LYS CA . 50681 1 319 . 1 . 1 43 43 LYS CB C 13 31.548 0.3 . 1 . . . . . 43 LYS CB . 50681 1 320 . 1 . 1 43 43 LYS CG C 13 21.806 0.3 . 1 . . . . . 43 LYS CG . 50681 1 321 . 1 . 1 43 43 LYS CD C 13 26.397 0.3 . 1 . . . . . 43 LYS CD . 50681 1 322 . 1 . 1 43 43 LYS CE C 13 38.868 0.3 . 1 . . . . . 43 LYS CE . 50681 1 323 . 1 . 1 43 43 LYS N N 15 116.373 0.3 . 1 . . . . . 43 LYS N . 50681 1 324 . 1 . 1 44 44 ALA H H 1 8.940 0.020 . 1 . . . . . 44 ALA H . 50681 1 325 . 1 . 1 44 44 ALA HA H 1 4.147 0.020 . 1 . . . . . 44 ALA HA . 50681 1 326 . 1 . 1 44 44 ALA HB1 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1 327 . 1 . 1 44 44 ALA HB2 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1 328 . 1 . 1 44 44 ALA HB3 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1 329 . 1 . 1 44 44 ALA C C 13 171.035 0.3 . 1 . . . . . 44 ALA C . 50681 1 330 . 1 . 1 44 44 ALA CA C 13 48.402 0.3 . 1 . . . . . 44 ALA CA . 50681 1 331 . 1 . 1 44 44 ALA CB C 13 20.159 0.3 . 1 . . . . . 44 ALA CB . 50681 1 332 . 1 . 1 44 44 ALA N N 15 129.951 0.3 . 1 . . . . . 44 ALA N . 50681 1 333 . 1 . 1 45 45 VAL H H 1 7.786 0.020 . 1 . . . . . 45 VAL H . 50681 1 334 . 1 . 1 45 45 VAL HA H 1 4.000 0.020 . 1 . . . . . 45 VAL HA . 50681 1 335 . 1 . 1 45 45 VAL HB H 1 1.358 0.020 . 1 . . . . . 45 VAL HB . 50681 1 336 . 1 . 1 45 45 VAL HG11 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1 337 . 1 . 1 45 45 VAL HG12 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1 338 . 1 . 1 45 45 VAL HG13 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1 339 . 1 . 1 45 45 VAL HG21 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1 340 . 1 . 1 45 45 VAL HG22 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1 341 . 1 . 1 45 45 VAL HG23 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1 342 . 1 . 1 45 45 VAL C C 13 172.486 0.3 . 1 . . . . . 45 VAL C . 50681 1 343 . 1 . 1 45 45 VAL CA C 13 58.109 0.3 . 1 . . . . . 45 VAL CA . 50681 1 344 . 1 . 1 45 45 VAL CB C 13 26.841 0.3 . 1 . . . . . 45 VAL CB . 50681 1 345 . 1 . 1 45 45 VAL CG1 C 13 17.174 0.3 . 1 . . . . . 45 VAL CG1 . 50681 1 346 . 1 . 1 45 45 VAL N N 15 120.300 0.3 . 1 . . . . . 45 VAL N . 50681 1 347 . 1 . 1 67 67 GLU H H 1 7.771 0.020 . 1 . . . . . 67 GLU H . 50681 1 348 . 1 . 1 67 67 GLU HA H 1 3.828 0.020 . 1 . . . . . 67 GLU HA . 50681 1 349 . 1 . 1 67 67 GLU HB2 H 1 1.997 0.020 . 2 . . . . . 67 GLU HB2 . 50681 1 350 . 1 . 1 67 67 GLU HB3 H 1 1.934 0.020 . 2 . . . . . 67 GLU HB3 . 50681 1 351 . 1 . 1 67 67 GLU HG2 H 1 2.220 0.020 . 2 . . . . . 67 GLU HG2 . 50681 1 352 . 1 . 1 67 67 GLU HG3 H 1 2.054 0.020 . 2 . . . . . 67 GLU HG3 . 50681 1 353 . 1 . 1 67 67 GLU C C 13 176.013 0.3 . 1 . . . . . 67 GLU C . 50681 1 354 . 1 . 1 67 67 GLU CA C 13 56.409 0.3 . 1 . . . . . 67 GLU CA . 50681 1 355 . 1 . 1 67 67 GLU CB C 13 26.849 0.3 . 1 . . . . . 67 GLU CB . 50681 1 356 . 1 . 1 67 67 GLU CG C 13 33.282 0.3 . 1 . . . . . 67 GLU CG . 50681 1 357 . 1 . 1 67 67 GLU N N 15 120.868 0.3 . 1 . . . . . 67 GLU N . 50681 1 358 . 1 . 1 68 68 GLU H H 1 8.096 0.020 . 1 . . . . . 68 GLU H . 50681 1 359 . 1 . 1 68 68 GLU HA H 1 3.963 0.020 . 1 . . . . . 68 GLU HA . 50681 1 360 . 1 . 1 68 68 GLU HB2 H 1 1.983 0.020 . 2 . . . . . 68 GLU HB2 . 50681 1 361 . 1 . 1 68 68 GLU HB3 H 1 1.830 0.020 . 2 . . . . . 68 GLU HB3 . 50681 1 362 . 1 . 1 68 68 GLU HG2 H 1 2.379 0.020 . 2 . . . . . 68 GLU HG2 . 50681 1 363 . 1 . 1 68 68 GLU HG3 H 1 2.150 0.020 . 2 . . . . . 68 GLU HG3 . 50681 1 364 . 1 . 1 68 68 GLU C C 13 175.692 0.3 . 1 . . . . . 68 GLU C . 50681 1 365 . 1 . 1 68 68 GLU CA C 13 55.895 0.3 . 1 . . . . . 68 GLU CA . 50681 1 366 . 1 . 1 68 68 GLU CB C 13 27.326 0.3 . 1 . . . . . 68 GLU CB . 50681 1 367 . 1 . 1 68 68 GLU CG C 13 33.918 0.3 . 1 . . . . . 68 GLU CG . 50681 1 368 . 1 . 1 68 68 GLU N N 15 116.553 0.3 . 1 . . . . . 68 GLU N . 50681 1 369 . 1 . 1 69 69 THR H H 1 7.605 0.020 . 1 . . . . . 69 THR H . 50681 1 370 . 1 . 1 69 69 THR HA H 1 4.219 0.020 . 1 . . . . . 69 THR HA . 50681 1 371 . 1 . 1 69 69 THR HB H 1 3.738 0.020 . 1 . . . . . 69 THR HB . 50681 1 372 . 1 . 1 69 69 THR HG21 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1 373 . 1 . 1 69 69 THR HG22 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1 374 . 1 . 1 69 69 THR HG23 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1 375 . 1 . 1 69 69 THR C C 13 172.503 0.3 . 1 . . . . . 69 THR C . 50681 1 376 . 1 . 1 69 69 THR CA C 13 59.598 0.3 . 1 . . . . . 69 THR CA . 50681 1 377 . 1 . 1 69 69 THR CB C 13 69.278 0.3 . 1 . . . . . 69 THR CB . 50681 1 378 . 1 . 1 69 69 THR CG2 C 13 18.626 0.3 . 1 . . . . . 69 THR CG2 . 50681 1 379 . 1 . 1 69 69 THR N N 15 104.693 0.3 . 1 . . . . . 69 THR N . 50681 1 380 . 1 . 1 70 70 GLY H H 1 7.759 0.020 . 1 . . . . . 70 GLY H . 50681 1 381 . 1 . 1 70 70 GLY HA2 H 1 3.863 0.020 . 1 . . . . . 70 GLY HA2 . 50681 1 382 . 1 . 1 70 70 GLY HA3 H 1 3.863 0.020 . 1 . . . . . 70 GLY HA3 . 50681 1 383 . 1 . 1 70 70 GLY C C 13 171.310 0.3 . 1 . . . . . 70 GLY C . 50681 1 384 . 1 . 1 70 70 GLY CA C 13 42.328 0.3 . 1 . . . . . 70 GLY CA . 50681 1 385 . 1 . 1 70 70 GLY N N 15 110.688 0.3 . 1 . . . . . 70 GLY N . 50681 1 386 . 1 . 1 71 71 ASP H H 1 7.123 0.020 . 1 . . . . . 71 ASP H . 50681 1 387 . 1 . 1 71 71 ASP HA H 1 4.377 0.020 . 1 . . . . . 71 ASP HA . 50681 1 388 . 1 . 1 71 71 ASP HB2 H 1 2.713 0.020 . 1 . . . . . 71 ASP HB2 . 50681 1 389 . 1 . 1 71 71 ASP HB3 H 1 2.713 0.020 . 1 . . . . . 71 ASP HB3 . 50681 1 390 . 1 . 1 71 71 ASP C C 13 170.549 0.3 . 1 . . . . . 71 ASP C . 50681 1 391 . 1 . 1 71 71 ASP CA C 13 50.196 0.3 . 1 . . . . . 71 ASP CA . 50681 1 392 . 1 . 1 71 71 ASP CB C 13 39.303 0.3 . 1 . . . . . 71 ASP CB . 50681 1 393 . 1 . 1 71 71 ASP N N 15 120.469 0.3 . 1 . . . . . 71 ASP N . 50681 1 394 . 1 . 1 72 72 ASN H H 1 9.032 0.020 . 1 . . . . . 72 ASN H . 50681 1 395 . 1 . 1 72 72 ASN HA H 1 4.765 0.020 . 1 . . . . . 72 ASN HA . 50681 1 396 . 1 . 1 72 72 ASN HB2 H 1 2.485 0.020 . 2 . . . . . 72 ASN HB2 . 50681 1 397 . 1 . 1 72 72 ASN HB3 H 1 2.717 0.020 . 2 . . . . . 72 ASN HB3 . 50681 1 398 . 1 . 1 72 72 ASN CA C 13 48.784 0.3 . 1 . . . . . 72 ASN CA . 50681 1 399 . 1 . 1 72 72 ASN CB C 13 39.358 0.3 . 1 . . . . . 72 ASN CB . 50681 1 400 . 1 . 1 72 72 ASN N N 15 118.532 0.3 . 1 . . . . . 72 ASN N . 50681 1 401 . 1 . 1 77 77 ILE H H 1 9.378 0.020 . 1 . . . . . 77 ILE H . 50681 1 402 . 1 . 1 77 77 ILE HA H 1 4.580 0.020 . 1 . . . . . 77 ILE HA . 50681 1 403 . 1 . 1 77 77 ILE HB H 1 1.528 0.020 . 1 . . . . . 77 ILE HB . 50681 1 404 . 1 . 1 77 77 ILE HG12 H 1 0.770 0.020 . 2 . . . . . 77 ILE HG12 . 50681 1 405 . 1 . 1 77 77 ILE HG13 H 1 1.293 0.020 . 2 . . . . . 77 ILE HG13 . 50681 1 406 . 1 . 1 77 77 ILE HG21 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1 407 . 1 . 1 77 77 ILE HG22 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1 408 . 1 . 1 77 77 ILE HG23 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1 409 . 1 . 1 77 77 ILE HD11 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1 410 . 1 . 1 77 77 ILE HD12 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1 411 . 1 . 1 77 77 ILE HD13 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1 412 . 1 . 1 77 77 ILE C C 13 171.575 0.3 . 1 . . . . . 77 ILE C . 50681 1 413 . 1 . 1 77 77 ILE CA C 13 57.809 0.3 . 1 . . . . . 77 ILE CA . 50681 1 414 . 1 . 1 77 77 ILE CB C 13 37.417 0.3 . 1 . . . . . 77 ILE CB . 50681 1 415 . 1 . 1 77 77 ILE CG1 C 13 26.089 0.3 . 1 . . . . . 77 ILE CG1 . 50681 1 416 . 1 . 1 77 77 ILE CG2 C 13 14.517 0.3 . 1 . . . . . 77 ILE CG2 . 50681 1 417 . 1 . 1 77 77 ILE CD1 C 13 11.390 0.3 . 1 . . . . . 77 ILE CD1 . 50681 1 418 . 1 . 1 77 77 ILE N N 15 127.924 0.3 . 1 . . . . . 77 ILE N . 50681 1 419 . 1 . 1 78 78 ILE H H 1 8.598 0.020 . 1 . . . . . 78 ILE H . 50681 1 420 . 1 . 1 78 78 ILE HA H 1 4.979 0.020 . 1 . . . . . 78 ILE HA . 50681 1 421 . 1 . 1 78 78 ILE HB H 1 1.916 0.020 . 1 . . . . . 78 ILE HB . 50681 1 422 . 1 . 1 78 78 ILE HG12 H 1 1.375 0.020 . 2 . . . . . 78 ILE HG12 . 50681 1 423 . 1 . 1 78 78 ILE HG13 H 1 1.186 0.020 . 2 . . . . . 78 ILE HG13 . 50681 1 424 . 1 . 1 78 78 ILE HG21 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1 425 . 1 . 1 78 78 ILE HG22 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1 426 . 1 . 1 78 78 ILE HG23 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1 427 . 1 . 1 78 78 ILE HD11 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1 428 . 1 . 1 78 78 ILE HD12 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1 429 . 1 . 1 78 78 ILE HD13 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1 430 . 1 . 1 78 78 ILE C C 13 171.966 0.3 . 1 . . . . . 78 ILE C . 50681 1 431 . 1 . 1 78 78 ILE CA C 13 54.994 0.3 . 1 . . . . . 78 ILE CA . 50681 1 432 . 1 . 1 78 78 ILE CB C 13 34.554 0.3 . 1 . . . . . 78 ILE CB . 50681 1 433 . 1 . 1 78 78 ILE CG1 C 13 23.683 0.3 . 1 . . . . . 78 ILE CG1 . 50681 1 434 . 1 . 1 78 78 ILE CG2 C 13 15.192 0.3 . 1 . . . . . 78 ILE CG2 . 50681 1 435 . 1 . 1 78 78 ILE CD1 C 13 7.534 0.3 . 1 . . . . . 78 ILE CD1 . 50681 1 436 . 1 . 1 78 78 ILE N N 15 127.309 0.3 . 1 . . . . . 78 ILE N . 50681 1 437 . 1 . 1 79 79 LYS H H 1 8.752 0.020 . 1 . . . . . 79 LYS H . 50681 1 438 . 1 . 1 79 79 LYS HA H 1 5.142 0.020 . 1 . . . . . 79 LYS HA . 50681 1 439 . 1 . 1 79 79 LYS HB2 H 1 1.952 0.020 . 2 . . . . . 79 LYS HB2 . 50681 1 440 . 1 . 1 79 79 LYS HB3 H 1 1.374 0.020 . 2 . . . . . 79 LYS HB3 . 50681 1 441 . 1 . 1 79 79 LYS HG2 H 1 1.132 0.020 . 2 . . . . . 79 LYS HG2 . 50681 1 442 . 1 . 1 79 79 LYS HG3 H 1 1.348 0.020 . 2 . . . . . 79 LYS HG3 . 50681 1 443 . 1 . 1 79 79 LYS HD2 H 1 1.401 0.020 . 2 . . . . . 79 LYS HD2 . 50681 1 444 . 1 . 1 79 79 LYS HD3 H 1 1.363 0.020 . 2 . . . . . 79 LYS HD3 . 50681 1 445 . 1 . 1 79 79 LYS HE2 H 1 2.580 0.020 . 1 . . . . . 79 LYS HE2 . 50681 1 446 . 1 . 1 79 79 LYS HE3 H 1 2.580 0.020 . 1 . . . . . 79 LYS HE3 . 50681 1 447 . 1 . 1 79 79 LYS C C 13 171.832 0.3 . 1 . . . . . 79 LYS C . 50681 1 448 . 1 . 1 79 79 LYS CA C 13 51.248 0.3 . 1 . . . . . 79 LYS CA . 50681 1 449 . 1 . 1 79 79 LYS CB C 13 33.330 0.3 . 1 . . . . . 79 LYS CB . 50681 1 450 . 1 . 1 79 79 LYS CG C 13 19.629 0.3 . 1 . . . . . 79 LYS CG . 50681 1 451 . 1 . 1 79 79 LYS CD C 13 26.628 0.3 . 1 . . . . . 79 LYS CD . 50681 1 452 . 1 . 1 79 79 LYS CE C 13 38.869 0.3 . 1 . . . . . 79 LYS CE . 50681 1 453 . 1 . 1 79 79 LYS N N 15 123.293 0.3 . 1 . . . . . 79 LYS N . 50681 1 454 . 1 . 1 80 80 LYS H H 1 7.880 0.020 . 1 . . . . . 80 LYS H . 50681 1 455 . 1 . 1 80 80 LYS HA H 1 4.650 0.020 . 1 . . . . . 80 LYS HA . 50681 1 456 . 1 . 1 80 80 LYS HB2 H 1 1.594 0.020 . 2 . . . . . 80 LYS HB2 . 50681 1 457 . 1 . 1 80 80 LYS HB3 H 1 1.652 0.020 . 2 . . . . . 80 LYS HB3 . 50681 1 458 . 1 . 1 80 80 LYS HG2 H 1 1.262 0.020 . 1 . . . . . 80 LYS HG2 . 50681 1 459 . 1 . 1 80 80 LYS HG3 H 1 1.262 0.020 . 1 . . . . . 80 LYS HG3 . 50681 1 460 . 1 . 1 80 80 LYS HD2 H 1 1.547 0.020 . 1 . . . . . 80 LYS HD2 . 50681 1 461 . 1 . 1 80 80 LYS HD3 H 1 1.547 0.020 . 1 . . . . . 80 LYS HD3 . 50681 1 462 . 1 . 1 80 80 LYS HE2 H 1 2.853 0.020 . 1 . . . . . 80 LYS HE2 . 50681 1 463 . 1 . 1 80 80 LYS HE3 H 1 2.853 0.020 . 1 . . . . . 80 LYS HE3 . 50681 1 464 . 1 . 1 80 80 LYS C C 13 174.358 0.3 . 1 . . . . . 80 LYS C . 50681 1 465 . 1 . 1 80 80 LYS CA C 13 53.033 0.3 . 1 . . . . . 80 LYS CA . 50681 1 466 . 1 . 1 80 80 LYS CB C 13 30.942 0.3 . 1 . . . . . 80 LYS CB . 50681 1 467 . 1 . 1 80 80 LYS CG C 13 21.814 0.3 . 1 . . . . . 80 LYS CG . 50681 1 468 . 1 . 1 80 80 LYS CD C 13 26.343 0.3 . 1 . . . . . 80 LYS CD . 50681 1 469 . 1 . 1 80 80 LYS CE C 13 39.211 0.3 . 1 . . . . . 80 LYS CE . 50681 1 470 . 1 . 1 80 80 LYS N N 15 120.850 0.3 . 1 . . . . . 80 LYS N . 50681 1 471 . 1 . 1 81 81 LYS H H 1 9.684 0.020 . 1 . . . . . 81 LYS H . 50681 1 472 . 1 . 1 81 81 LYS HA H 1 3.848 0.020 . 1 . . . . . 81 LYS HA . 50681 1 473 . 1 . 1 81 81 LYS HB2 H 1 1.626 0.020 . 2 . . . . . 81 LYS HB2 . 50681 1 474 . 1 . 1 81 81 LYS HB3 H 1 1.493 0.020 . 2 . . . . . 81 LYS HB3 . 50681 1 475 . 1 . 1 81 81 LYS HG2 H 1 1.310 0.020 . 1 . . . . . 81 LYS HG2 . 50681 1 476 . 1 . 1 81 81 LYS HG3 H 1 1.310 0.020 . 1 . . . . . 81 LYS HG3 . 50681 1 477 . 1 . 1 81 81 LYS HD2 H 1 1.579 0.020 . 2 . . . . . 81 LYS HD2 . 50681 1 478 . 1 . 1 81 81 LYS HD3 H 1 1.499 0.020 . 2 . . . . . 81 LYS HD3 . 50681 1 479 . 1 . 1 81 81 LYS HE2 H 1 2.853 0.020 . 1 . . . . . 81 LYS HE2 . 50681 1 480 . 1 . 1 81 81 LYS HE3 H 1 2.853 0.020 . 1 . . . . . 81 LYS HE3 . 50681 1 481 . 1 . 1 81 81 LYS C C 13 174.396 0.3 . 1 . . . . . 81 LYS C . 50681 1 482 . 1 . 1 81 81 LYS CA C 13 55.075 0.3 . 1 . . . . . 81 LYS CA . 50681 1 483 . 1 . 1 81 81 LYS CB C 13 29.229 0.3 . 1 . . . . . 81 LYS CB . 50681 1 484 . 1 . 1 81 81 LYS CG C 13 21.202 0.3 . 1 . . . . . 81 LYS CG . 50681 1 485 . 1 . 1 81 81 LYS CD C 13 26.191 0.3 . 1 . . . . . 81 LYS CD . 50681 1 486 . 1 . 1 81 81 LYS CE C 13 38.459 0.3 . 1 . . . . . 81 LYS CE . 50681 1 487 . 1 . 1 81 81 LYS N N 15 126.629 0.3 . 1 . . . . . 81 LYS N . 50681 1 488 . 1 . 1 82 82 GLU H H 1 8.580 0.020 . 1 . . . . . 82 GLU H . 50681 1 489 . 1 . 1 82 82 GLU HA H 1 4.183 0.020 . 1 . . . . . 82 GLU HA . 50681 1 490 . 1 . 1 82 82 GLU HB2 H 1 1.969 0.020 . 2 . . . . . 82 GLU HB2 . 50681 1 491 . 1 . 1 82 82 GLU HB3 H 1 1.814 0.020 . 2 . . . . . 82 GLU HB3 . 50681 1 492 . 1 . 1 82 82 GLU HG2 H 1 2.154 0.020 . 1 . . . . . 82 GLU HG2 . 50681 1 493 . 1 . 1 82 82 GLU HG3 H 1 2.154 0.020 . 1 . . . . . 82 GLU HG3 . 50681 1 494 . 1 . 1 82 82 GLU C C 13 172.977 0.3 . 1 . . . . . 82 GLU C . 50681 1 495 . 1 . 1 82 82 GLU CA C 13 53.879 0.3 . 1 . . . . . 82 GLU CA . 50681 1 496 . 1 . 1 82 82 GLU CB C 13 27.184 0.3 . 1 . . . . . 82 GLU CB . 50681 1 497 . 1 . 1 82 82 GLU CG C 13 33.574 0.3 . 1 . . . . . 82 GLU CG . 50681 1 498 . 1 . 1 82 82 GLU N N 15 122.958 0.3 . 1 . . . . . 82 GLU N . 50681 1 499 . 1 . 1 83 83 THR H H 1 7.689 0.020 . 1 . . . . . 83 THR H . 50681 1 500 . 1 . 1 83 83 THR HA H 1 4.018 0.020 . 1 . . . . . 83 THR HA . 50681 1 501 . 1 . 1 83 83 THR HB H 1 4.110 0.020 . 1 . . . . . 83 THR HB . 50681 1 502 . 1 . 1 83 83 THR HG21 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1 503 . 1 . 1 83 83 THR HG22 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1 504 . 1 . 1 83 83 THR HG23 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1 505 . 1 . 1 83 83 THR C C 13 176.410 0.3 . 1 . . . . . 83 THR C . 50681 1 506 . 1 . 1 83 83 THR CA C 13 60.342 0.3 . 1 . . . . . 83 THR CA . 50681 1 507 . 1 . 1 83 83 THR CB C 13 67.972 0.3 . 1 . . . . . 83 THR CB . 50681 1 508 . 1 . 1 83 83 THR CG2 C 13 19.234 0.3 . 1 . . . . . 83 THR CG2 . 50681 1 509 . 1 . 1 83 83 THR N N 15 120.295 0.3 . 1 . . . . . 83 THR N . 50681 1 stop_ save_