################################### # 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 19149 _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' . . . 19149 1 2 '3D C(CO)NH' . . . 19149 1 3 '3D CBCA(CO)NH' . . . 19149 1 5 '3D HNCO' . . . 19149 1 6 '3D HNCA' . . . 19149 1 7 '3D HNCACB' . . . 19149 1 8 '3D HCCH-TOCSY' . . . 19149 1 9 '3D HBHA(CO)NH' . . . 19149 1 10 '3D 1H-15N NOESY' . . . 19149 1 11 '3D 1H-13C NOESY' . . . 19149 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 PRO C C 13 175.832 0.000 . . . . . A 26 PRO C . 19149 1 2 . 1 1 2 2 ARG H H 1 8.320 0.000 . . . . . A 27 ARG H . 19149 1 3 . 1 1 2 2 ARG HA H 1 4.578 0.000 . . . . . A 27 ARG HA . 19149 1 4 . 1 1 2 2 ARG HB2 H 1 1.861 0.000 . . . . . A 27 ARG HB2 . 19149 1 5 . 1 1 2 2 ARG HB3 H 1 1.802 0.000 . . . . . A 27 ARG HB3 . 19149 1 6 . 1 1 2 2 ARG HG2 H 1 1.674 0.000 . . . . . A 27 ARG HG2 . 19149 1 7 . 1 1 2 2 ARG HG3 H 1 1.674 0.000 . . . . . A 27 ARG HG3 . 19149 1 8 . 1 1 2 2 ARG HD2 H 1 3.165 0.000 . . . . . A 27 ARG HD2 . 19149 1 9 . 1 1 2 2 ARG HD3 H 1 3.126 0.000 . . . . . A 27 ARG HD3 . 19149 1 10 . 1 1 2 2 ARG C C 13 176.132 0.000 . . . . . A 27 ARG C . 19149 1 11 . 1 1 2 2 ARG CA C 13 55.893 0.000 . . . . . A 27 ARG CA . 19149 1 12 . 1 1 2 2 ARG CB C 13 31.813 0.000 . . . . . A 27 ARG CB . 19149 1 13 . 1 1 2 2 ARG CG C 13 26.910 0.000 . . . . . A 27 ARG CG . 19149 1 14 . 1 1 2 2 ARG CD C 13 43.614 0.000 . . . . . A 27 ARG CD . 19149 1 15 . 1 1 2 2 ARG N N 15 120.668 0.000 . . . . . A 27 ARG N . 19149 1 16 . 1 1 3 3 GLN H H 1 8.756 0.000 . . . . . A 28 GLN H . 19149 1 17 . 1 1 3 3 GLN HA H 1 4.608 0.000 . . . . . A 28 GLN HA . 19149 1 18 . 1 1 3 3 GLN HB2 H 1 2.048 0.000 . . . . . A 28 GLN HB2 . 19149 1 19 . 1 1 3 3 GLN HB3 H 1 2.039 0.000 . . . . . A 28 GLN HB3 . 19149 1 20 . 1 1 3 3 GLN HG2 H 1 2.282 0.000 . . . . . A 28 GLN HG2 . 19149 1 21 . 1 1 3 3 GLN HG3 H 1 2.282 0.000 . . . . . A 28 GLN HG3 . 19149 1 22 . 1 1 3 3 GLN HE21 H 1 7.490 0.000 . . . . . A 28 GLN HE21 . 19149 1 23 . 1 1 3 3 GLN HE22 H 1 6.960 0.000 . . . . . A 28 GLN HE22 . 19149 1 24 . 1 1 3 3 GLN C C 13 174.372 0.000 . . . . . A 28 GLN C . 19149 1 25 . 1 1 3 3 GLN CA C 13 55.320 0.000 . . . . . A 28 GLN CA . 19149 1 26 . 1 1 3 3 GLN CB C 13 31.403 0.000 . . . . . A 28 GLN CB . 19149 1 27 . 1 1 3 3 GLN CG C 13 34.373 0.000 . . . . . A 28 GLN CG . 19149 1 28 . 1 1 3 3 GLN N N 15 119.898 0.000 . . . . . A 28 GLN N . 19149 1 29 . 1 1 3 3 GLN NE2 N 15 112.100 0.000 . . . . . A 28 GLN NE2 . 19149 1 30 . 1 1 4 4 ILE H H 1 8.433 0.000 . . . . . A 29 ILE H . 19149 1 31 . 1 1 4 4 ILE HA H 1 4.598 0.000 . . . . . A 29 ILE HA . 19149 1 32 . 1 1 4 4 ILE HB H 1 1.812 0.000 . . . . . A 29 ILE HB . 19149 1 33 . 1 1 4 4 ILE HG12 H 1 1.429 0.000 . . . . . A 29 ILE HG12 . 19149 1 34 . 1 1 4 4 ILE HG13 H 1 1.160 0.000 . . . . . A 29 ILE HG13 . 19149 1 35 . 1 1 4 4 ILE HG21 H 1 0.730 0.000 . . . . . A 29 ILE HG21 . 19149 1 36 . 1 1 4 4 ILE HG22 H 1 0.730 0.000 . . . . . A 29 ILE HG22 . 19149 1 37 . 1 1 4 4 ILE HG23 H 1 0.730 0.000 . . . . . A 29 ILE HG23 . 19149 1 38 . 1 1 4 4 ILE HD11 H 1 0.732 0.000 . . . . . A 29 ILE HD11 . 19149 1 39 . 1 1 4 4 ILE HD12 H 1 0.732 0.000 . . . . . A 29 ILE HD12 . 19149 1 40 . 1 1 4 4 ILE HD13 H 1 0.732 0.000 . . . . . A 29 ILE HD13 . 19149 1 41 . 1 1 4 4 ILE C C 13 175.158 0.000 . . . . . A 29 ILE C . 19149 1 42 . 1 1 4 4 ILE CA C 13 59.825 0.000 . . . . . A 29 ILE CA . 19149 1 43 . 1 1 4 4 ILE CB C 13 38.857 0.000 . . . . . A 29 ILE CB . 19149 1 44 . 1 1 4 4 ILE CG1 C 13 27.001 0.000 . . . . . A 29 ILE CG1 . 19149 1 45 . 1 1 4 4 ILE CG2 C 13 17.991 0.000 . . . . . A 29 ILE CG2 . 19149 1 46 . 1 1 4 4 ILE CD1 C 13 11.711 0.000 . . . . . A 29 ILE CD1 . 19149 1 47 . 1 1 4 4 ILE N N 15 122.828 0.000 . . . . . A 29 ILE N . 19149 1 48 . 1 1 5 5 ALA H H 1 8.801 0.000 . . . . . A 30 ALA H . 19149 1 49 . 1 1 5 5 ALA HA H 1 4.578 0.000 . . . . . A 30 ALA HA . 19149 1 50 . 1 1 5 5 ALA HB1 H 1 1.340 0.000 . . . . . A 30 ALA HB1 . 19149 1 51 . 1 1 5 5 ALA HB2 H 1 1.340 0.000 . . . . . A 30 ALA HB2 . 19149 1 52 . 1 1 5 5 ALA HB3 H 1 1.340 0.000 . . . . . A 30 ALA HB3 . 19149 1 53 . 1 1 5 5 ALA C C 13 174.728 0.000 . . . . . A 30 ALA C . 19149 1 54 . 1 1 5 5 ALA CA C 13 50.487 0.000 . . . . . A 30 ALA CA . 19149 1 55 . 1 1 5 5 ALA CB C 13 23.049 0.000 . . . . . A 30 ALA CB . 19149 1 56 . 1 1 5 5 ALA N N 15 131.643 0.000 . . . . . A 30 ALA N . 19149 1 57 . 1 1 6 6 ARG H H 1 8.285 0.000 . . . . . A 31 ARG H . 19149 1 58 . 1 1 6 6 ARG HA H 1 5.450 0.000 . . . . . A 31 ARG HA . 19149 1 59 . 1 1 6 6 ARG HB2 H 1 1.620 0.000 . . . . . A 31 ARG HB2 . 19149 1 60 . 1 1 6 6 ARG HB3 H 1 1.590 0.000 . . . . . A 31 ARG HB3 . 19149 1 61 . 1 1 6 6 ARG HG2 H 1 1.390 0.000 . . . . . A 31 ARG HG2 . 19149 1 62 . 1 1 6 6 ARG HG3 H 1 1.590 0.000 . . . . . A 31 ARG HG3 . 19149 1 63 . 1 1 6 6 ARG HD2 H 1 3.190 0.000 . . . . . A 31 ARG HD2 . 19149 1 64 . 1 1 6 6 ARG HD3 H 1 3.190 0.000 . . . . . A 31 ARG HD3 . 19149 1 65 . 1 1 6 6 ARG C C 13 176.076 0.000 . . . . . A 31 ARG C . 19149 1 66 . 1 1 6 6 ARG CA C 13 54.400 0.000 . . . . . A 31 ARG CA . 19149 1 67 . 1 1 6 6 ARG CB C 13 33.400 0.000 . . . . . A 31 ARG CB . 19149 1 68 . 1 1 6 6 ARG CG C 13 28.500 0.000 . . . . . A 31 ARG CG . 19149 1 69 . 1 1 6 6 ARG CD C 13 43.341 0.000 . . . . . A 31 ARG CD . 19149 1 70 . 1 1 6 6 ARG N N 15 120.391 0.000 . . . . . A 31 ARG N . 19149 1 71 . 1 1 7 7 TYR H H 1 8.895 0.000 . . . . . A 32 TYR H . 19149 1 72 . 1 1 7 7 TYR HA H 1 5.011 0.000 . . . . . A 32 TYR HA . 19149 1 73 . 1 1 7 7 TYR HB2 H 1 2.452 0.000 . . . . . A 32 TYR HB2 . 19149 1 74 . 1 1 7 7 TYR HB3 H 1 2.609 0.000 . . . . . A 32 TYR HB3 . 19149 1 75 . 1 1 7 7 TYR HD1 H 1 6.640 0.000 . . . . . A 32 TYR HD1 . 19149 1 76 . 1 1 7 7 TYR HD2 H 1 6.640 0.000 . . . . . A 32 TYR HD2 . 19149 1 77 . 1 1 7 7 TYR HE1 H 1 6.290 0.000 . . . . . A 32 TYR HE1 . 19149 1 78 . 1 1 7 7 TYR HE2 H 1 6.290 0.000 . . . . . A 32 TYR HE2 . 19149 1 79 . 1 1 7 7 TYR C C 13 174.803 0.000 . . . . . A 32 TYR C . 19149 1 80 . 1 1 7 7 TYR CA C 13 57.286 0.000 . . . . . A 32 TYR CA . 19149 1 81 . 1 1 7 7 TYR CB C 13 44.099 0.000 . . . . . A 32 TYR CB . 19149 1 82 . 1 1 7 7 TYR CD1 C 13 132.300 0.000 . . . . . A 32 TYR CD1 . 19149 1 83 . 1 1 7 7 TYR CD2 C 13 132.300 0.000 . . . . . A 32 TYR CD2 . 19149 1 84 . 1 1 7 7 TYR CE1 C 13 118.000 0.000 . . . . . A 32 TYR CE1 . 19149 1 85 . 1 1 7 7 TYR CE2 C 13 118.000 0.000 . . . . . A 32 TYR CE2 . 19149 1 86 . 1 1 7 7 TYR N N 15 119.947 0.000 . . . . . A 32 TYR N . 19149 1 87 . 1 1 8 8 ARG H H 1 8.918 0.000 . . . . . A 33 ARG H . 19149 1 88 . 1 1 8 8 ARG HA H 1 5.818 0.000 . . . . . A 33 ARG HA . 19149 1 89 . 1 1 8 8 ARG HB2 H 1 1.750 0.000 . . . . . A 33 ARG HB2 . 19149 1 90 . 1 1 8 8 ARG HB3 H 1 1.891 0.000 . . . . . A 33 ARG HB3 . 19149 1 91 . 1 1 8 8 ARG HG2 H 1 1.640 0.000 . . . . . A 33 ARG HG2 . 19149 1 92 . 1 1 8 8 ARG HG3 H 1 2.030 0.000 . . . . . A 33 ARG HG3 . 19149 1 93 . 1 1 8 8 ARG HD2 H 1 3.267 0.000 . . . . . A 33 ARG HD2 . 19149 1 94 . 1 1 8 8 ARG HD3 H 1 3.326 0.000 . . . . . A 33 ARG HD3 . 19149 1 95 . 1 1 8 8 ARG C C 13 177.873 0.000 . . . . . A 33 ARG C . 19149 1 96 . 1 1 8 8 ARG CA C 13 54.091 0.000 . . . . . A 33 ARG CA . 19149 1 97 . 1 1 8 8 ARG CB C 13 34.188 0.000 . . . . . A 33 ARG CB . 19149 1 98 . 1 1 8 8 ARG CG C 13 27.119 0.000 . . . . . A 33 ARG CG . 19149 1 99 . 1 1 8 8 ARG CD C 13 43.796 0.000 . . . . . A 33 ARG CD . 19149 1 100 . 1 1 8 8 ARG N N 15 121.071 0.000 . . . . . A 33 ARG N . 19149 1 101 . 1 1 9 9 THR H H 1 9.583 0.000 . . . . . A 34 THR H . 19149 1 102 . 1 1 9 9 THR HA H 1 5.060 0.000 . . . . . A 34 THR HA . 19149 1 103 . 1 1 9 9 THR HB H 1 4.854 0.000 . . . . . A 34 THR HB . 19149 1 104 . 1 1 9 9 THR HG21 H 1 1.370 0.000 . . . . . A 34 THR HG21 . 19149 1 105 . 1 1 9 9 THR HG22 H 1 1.370 0.000 . . . . . A 34 THR HG22 . 19149 1 106 . 1 1 9 9 THR HG23 H 1 1.370 0.000 . . . . . A 34 THR HG23 . 19149 1 107 . 1 1 9 9 THR C C 13 177.274 0.000 . . . . . A 34 THR C . 19149 1 108 . 1 1 9 9 THR CA C 13 61.545 0.000 . . . . . A 34 THR CA . 19149 1 109 . 1 1 9 9 THR CB C 13 70.718 0.000 . . . . . A 34 THR CB . 19149 1 110 . 1 1 9 9 THR CG2 C 13 23.110 0.000 . . . . . A 34 THR CG2 . 19149 1 111 . 1 1 9 9 THR N N 15 119.578 0.000 . . . . . A 34 THR N . 19149 1 112 . 1 1 10 10 ASP H H 1 9.601 0.000 . . . . . A 35 ASP H . 19149 1 113 . 1 1 10 10 ASP HA H 1 4.509 0.000 . . . . . A 35 ASP HA . 19149 1 114 . 1 1 10 10 ASP HB2 H 1 2.728 0.000 . . . . . A 35 ASP HB2 . 19149 1 115 . 1 1 10 10 ASP HB3 H 1 2.767 0.000 . . . . . A 35 ASP HB3 . 19149 1 116 . 1 1 10 10 ASP C C 13 176.188 0.000 . . . . . A 35 ASP C . 19149 1 117 . 1 1 10 10 ASP CA C 13 57.777 0.000 . . . . . A 35 ASP CA . 19149 1 118 . 1 1 10 10 ASP CB C 13 40.741 0.000 . . . . . A 35 ASP CB . 19149 1 119 . 1 1 10 10 ASP N N 15 120.797 0.000 . . . . . A 35 ASP N . 19149 1 120 . 1 1 11 11 ASN H H 1 7.824 0.000 . . . . . A 36 ASN H . 19149 1 121 . 1 1 11 11 ASN HA H 1 4.736 0.000 . . . . . A 36 ASN HA . 19149 1 122 . 1 1 11 11 ASN HB2 H 1 2.826 0.000 . . . . . A 36 ASN HB2 . 19149 1 123 . 1 1 11 11 ASN HB3 H 1 3.279 0.000 . . . . . A 36 ASN HB3 . 19149 1 124 . 1 1 11 11 ASN HD21 H 1 8.100 0.000 . . . . . A 36 ASN HD21 . 19149 1 125 . 1 1 11 11 ASN HD22 H 1 7.810 0.000 . . . . . A 36 ASN HD22 . 19149 1 126 . 1 1 11 11 ASN C C 13 176.188 0.000 . . . . . A 36 ASN C . 19149 1 127 . 1 1 11 11 ASN CA C 13 52.617 0.000 . . . . . A 36 ASN CA . 19149 1 128 . 1 1 11 11 ASN CB C 13 37.792 0.000 . . . . . A 36 ASN CB . 19149 1 129 . 1 1 11 11 ASN N N 15 114.714 0.000 . . . . . A 36 ASN N . 19149 1 130 . 1 1 11 11 ASN ND2 N 15 115.150 0.000 . . . . . A 36 ASN ND2 . 19149 1 131 . 1 1 12 12 GLY H H 1 8.520 0.000 . . . . . A 37 GLY H . 19149 1 132 . 1 1 12 12 GLY HA2 H 1 3.584 0.000 . . . . . A 37 GLY HA2 . 19149 1 133 . 1 1 12 12 GLY HA3 H 1 4.382 0.000 . . . . . A 37 GLY HA3 . 19149 1 134 . 1 1 12 12 GLY C C 13 174.428 0.000 . . . . . A 37 GLY C . 19149 1 135 . 1 1 12 12 GLY CA C 13 45.082 0.000 . . . . . A 37 GLY CA . 19149 1 136 . 1 1 12 12 GLY N N 15 108.692 0.000 . . . . . A 37 GLY N . 19149 1 137 . 1 1 13 13 GLU H H 1 7.159 0.000 . . . . . A 38 GLU H . 19149 1 138 . 1 1 13 13 GLU HA H 1 4.135 0.000 . . . . . A 38 GLU HA . 19149 1 139 . 1 1 13 13 GLU HB2 H 1 1.831 0.000 . . . . . A 38 GLU HB2 . 19149 1 140 . 1 1 13 13 GLU HB3 H 1 2.180 0.000 . . . . . A 38 GLU HB3 . 19149 1 141 . 1 1 13 13 GLU HG2 H 1 2.220 0.000 . . . . . A 38 GLU HG2 . 19149 1 142 . 1 1 13 13 GLU HG3 H 1 2.030 0.000 . . . . . A 38 GLU HG3 . 19149 1 143 . 1 1 13 13 GLU C C 13 174.204 0.000 . . . . . A 38 GLU C . 19149 1 144 . 1 1 13 13 GLU CA C 13 58.023 0.000 . . . . . A 38 GLU CA . 19149 1 145 . 1 1 13 13 GLU CB C 13 31.239 0.000 . . . . . A 38 GLU CB . 19149 1 146 . 1 1 13 13 GLU CG C 13 38.237 0.000 . . . . . A 38 GLU CG . 19149 1 147 . 1 1 13 13 GLU N N 15 120.618 0.000 . . . . . A 38 GLU N . 19149 1 148 . 1 1 14 14 GLU H H 1 7.904 0.000 . . . . . A 39 GLU H . 19149 1 149 . 1 1 14 14 GLU HA H 1 5.592 0.000 . . . . . A 39 GLU HA . 19149 1 150 . 1 1 14 14 GLU HB2 H 1 1.753 0.000 . . . . . A 39 GLU HB2 . 19149 1 151 . 1 1 14 14 GLU HB3 H 1 1.773 0.000 . . . . . A 39 GLU HB3 . 19149 1 152 . 1 1 14 14 GLU HG2 H 1 2.403 0.000 . . . . . A 39 GLU HG2 . 19149 1 153 . 1 1 14 14 GLU HG3 H 1 2.048 0.000 . . . . . A 39 GLU HG3 . 19149 1 154 . 1 1 14 14 GLU C C 13 176.020 0.000 . . . . . A 39 GLU C . 19149 1 155 . 1 1 14 14 GLU CA C 13 54.337 0.000 . . . . . A 39 GLU CA . 19149 1 156 . 1 1 14 14 GLU CB C 13 33.451 0.000 . . . . . A 39 GLU CB . 19149 1 157 . 1 1 14 14 GLU CG C 13 37.144 0.000 . . . . . A 39 GLU CG . 19149 1 158 . 1 1 14 14 GLU N N 15 118.314 0.000 . . . . . A 39 GLU N . 19149 1 159 . 1 1 15 15 PHE H H 1 9.181 0.000 . . . . . A 40 PHE H . 19149 1 160 . 1 1 15 15 PHE HA H 1 4.736 0.000 . . . . . A 40 PHE HA . 19149 1 161 . 1 1 15 15 PHE HB2 H 1 2.880 0.000 . . . . . A 40 PHE HB2 . 19149 1 162 . 1 1 15 15 PHE HB3 H 1 3.283 0.000 . . . . . A 40 PHE HB3 . 19149 1 163 . 1 1 15 15 PHE HD1 H 1 7.330 0.000 . . . . . A 40 PHE HD1 . 19149 1 164 . 1 1 15 15 PHE HD2 H 1 7.330 0.000 . . . . . A 40 PHE HD2 . 19149 1 165 . 1 1 15 15 PHE HE1 H 1 7.340 0.000 . . . . . A 40 PHE HE1 . 19149 1 166 . 1 1 15 15 PHE HE2 H 1 7.340 0.000 . . . . . A 40 PHE HE2 . 19149 1 167 . 1 1 15 15 PHE HZ H 1 7.150 0.000 . . . . . A 40 PHE HZ . 19149 1 168 . 1 1 15 15 PHE C C 13 174.410 0.000 . . . . . A 40 PHE C . 19149 1 169 . 1 1 15 15 PHE CA C 13 57.695 0.000 . . . . . A 40 PHE CA . 19149 1 170 . 1 1 15 15 PHE CB C 13 43.280 0.000 . . . . . A 40 PHE CB . 19149 1 171 . 1 1 15 15 PHE CD1 C 13 132.300 0.000 . . . . . A 40 PHE CD1 . 19149 1 172 . 1 1 15 15 PHE CD2 C 13 132.300 0.000 . . . . . A 40 PHE CD2 . 19149 1 173 . 1 1 15 15 PHE CE1 C 13 133.400 0.000 . . . . . A 40 PHE CE1 . 19149 1 174 . 1 1 15 15 PHE CE2 C 13 133.400 0.000 . . . . . A 40 PHE CE2 . 19149 1 175 . 1 1 15 15 PHE CZ C 13 129.600 0.000 . . . . . A 40 PHE CZ . 19149 1 176 . 1 1 15 15 PHE N N 15 119.679 0.000 . . . . . A 40 PHE N . 19149 1 177 . 1 1 16 16 GLU H H 1 8.741 0.000 . . . . . A 41 GLU H . 19149 1 178 . 1 1 16 16 GLU HA H 1 5.080 0.000 . . . . . A 41 GLU HA . 19149 1 179 . 1 1 16 16 GLU HB2 H 1 2.027 0.000 . . . . . A 41 GLU HB2 . 19149 1 180 . 1 1 16 16 GLU HB3 H 1 1.840 0.000 . . . . . A 41 GLU HB3 . 19149 1 181 . 1 1 16 16 GLU HG2 H 1 2.312 0.000 . . . . . A 41 GLU HG2 . 19149 1 182 . 1 1 16 16 GLU HG3 H 1 2.030 0.000 . . . . . A 41 GLU HG3 . 19149 1 183 . 1 1 16 16 GLU C C 13 176.525 0.000 . . . . . A 41 GLU C . 19149 1 184 . 1 1 16 16 GLU CA C 13 55.565 0.000 . . . . . A 41 GLU CA . 19149 1 185 . 1 1 16 16 GLU CB C 13 31.403 0.000 . . . . . A 41 GLU CB . 19149 1 186 . 1 1 16 16 GLU CG C 13 37.142 0.000 . . . . . A 41 GLU CG . 19149 1 187 . 1 1 16 16 GLU N N 15 121.828 0.000 . . . . . A 41 GLU N . 19149 1 188 . 1 1 17 17 VAL H H 1 9.393 0.000 . . . . . A 42 VAL H . 19149 1 189 . 1 1 17 17 VAL HA H 1 4.495 0.000 . . . . . A 42 VAL HA . 19149 1 190 . 1 1 17 17 VAL HB H 1 1.715 0.000 . . . . . A 42 VAL HB . 19149 1 191 . 1 1 17 17 VAL HG11 H 1 0.575 0.000 . . . . . A 42 VAL HG11 . 19149 1 192 . 1 1 17 17 VAL HG12 H 1 0.575 0.000 . . . . . A 42 VAL HG12 . 19149 1 193 . 1 1 17 17 VAL HG13 H 1 0.575 0.000 . . . . . A 42 VAL HG13 . 19149 1 194 . 1 1 17 17 VAL HG21 H 1 -0.200 0.000 . . . . . A 42 VAL HG21 . 19149 1 195 . 1 1 17 17 VAL HG22 H 1 -0.200 0.000 . . . . . A 42 VAL HG22 . 19149 1 196 . 1 1 17 17 VAL HG23 H 1 -0.200 0.000 . . . . . A 42 VAL HG23 . 19149 1 197 . 1 1 17 17 VAL C C 13 172.949 0.000 . . . . . A 42 VAL C . 19149 1 198 . 1 1 17 17 VAL CA C 13 59.415 0.000 . . . . . A 42 VAL CA . 19149 1 199 . 1 1 17 17 VAL CB C 13 35.990 0.000 . . . . . A 42 VAL CB . 19149 1 200 . 1 1 17 17 VAL CG1 C 13 20.994 0.000 . . . . . A 42 VAL CG1 . 19149 1 201 . 1 1 17 17 VAL CG2 C 13 20.630 0.000 . . . . . A 42 VAL CG2 . 19149 1 202 . 1 1 17 17 VAL N N 15 127.341 0.000 . . . . . A 42 VAL N . 19149 1 203 . 1 1 18 18 PRO HA H 1 5.179 0.000 . . . . . A 43 PRO HA . 19149 1 204 . 1 1 18 18 PRO HB2 H 1 1.970 0.000 . . . . . A 43 PRO HB2 . 19149 1 205 . 1 1 18 18 PRO HB3 H 1 2.090 0.000 . . . . . A 43 PRO HB3 . 19149 1 206 . 1 1 18 18 PRO HG2 H 1 2.070 0.000 . . . . . A 43 PRO HG2 . 19149 1 207 . 1 1 18 18 PRO HG3 H 1 1.958 0.000 . . . . . A 43 PRO HG3 . 19149 1 208 . 1 1 18 18 PRO HD2 H 1 3.650 0.000 . . . . . A 43 PRO HD2 . 19149 1 209 . 1 1 18 18 PRO HD3 H 1 3.700 0.000 . . . . . A 43 PRO HD3 . 19149 1 210 . 1 1 18 18 PRO CA C 13 61.545 0.000 . . . . . A 43 PRO CA . 19149 1 211 . 1 1 18 18 PRO CB C 13 26.637 0.000 . . . . . A 43 PRO CB . 19149 1 212 . 1 1 18 18 PRO CG C 13 26.728 0.000 . . . . . A 43 PRO CG . 19149 1 213 . 1 1 18 18 PRO CD C 13 50.937 0.000 . . . . . A 43 PRO CD . 19149 1 214 . 1 1 19 19 PHE H H 1 8.901 0.000 . . . . . A 44 PHE H . 19149 1 215 . 1 1 19 19 PHE HA H 1 4.568 0.000 . . . . . A 44 PHE HA . 19149 1 216 . 1 1 19 19 PHE HB2 H 1 3.077 0.000 . . . . . A 44 PHE HB2 . 19149 1 217 . 1 1 19 19 PHE HB3 H 1 2.520 0.000 . . . . . A 44 PHE HB3 . 19149 1 218 . 1 1 19 19 PHE HD1 H 1 7.090 0.000 . . . . . A 44 PHE HD1 . 19149 1 219 . 1 1 19 19 PHE HD2 H 1 7.090 0.000 . . . . . A 44 PHE HD2 . 19149 1 220 . 1 1 19 19 PHE HE1 H 1 7.000 0.000 . . . . . A 44 PHE HE1 . 19149 1 221 . 1 1 19 19 PHE HE2 H 1 7.000 0.000 . . . . . A 44 PHE HE2 . 19149 1 222 . 1 1 19 19 PHE HZ H 1 6.240 0.000 . . . . . A 44 PHE HZ . 19149 1 223 . 1 1 19 19 PHE C C 13 175.046 0.000 . . . . . A 44 PHE C . 19149 1 224 . 1 1 19 19 PHE CA C 13 57.531 0.000 . . . . . A 44 PHE CA . 19149 1 225 . 1 1 19 19 PHE CB C 13 44.017 0.000 . . . . . A 44 PHE CB . 19149 1 226 . 1 1 19 19 PHE CD1 C 13 131.700 0.000 . . . . . A 44 PHE CD1 . 19149 1 227 . 1 1 19 19 PHE CD2 C 13 131.700 0.000 . . . . . A 44 PHE CD2 . 19149 1 228 . 1 1 19 19 PHE CE1 C 13 131.600 0.000 . . . . . A 44 PHE CE1 . 19149 1 229 . 1 1 19 19 PHE CE2 C 13 131.600 0.000 . . . . . A 44 PHE CE2 . 19149 1 230 . 1 1 19 19 PHE CZ C 13 130.100 0.000 . . . . . A 44 PHE CZ . 19149 1 231 . 1 1 19 19 PHE N N 15 119.921 0.000 . . . . . A 44 PHE N . 19149 1 232 . 1 1 20 20 ALA H H 1 8.711 0.000 . . . . . A 45 ALA H . 19149 1 233 . 1 1 20 20 ALA HA H 1 4.460 0.000 . . . . . A 45 ALA HA . 19149 1 234 . 1 1 20 20 ALA HB1 H 1 1.586 0.000 . . . . . A 45 ALA HB1 . 19149 1 235 . 1 1 20 20 ALA HB2 H 1 1.586 0.000 . . . . . A 45 ALA HB2 . 19149 1 236 . 1 1 20 20 ALA HB3 H 1 1.586 0.000 . . . . . A 45 ALA HB3 . 19149 1 237 . 1 1 20 20 ALA C C 13 178.378 0.000 . . . . . A 45 ALA C . 19149 1 238 . 1 1 20 20 ALA CA C 13 52.207 0.000 . . . . . A 45 ALA CA . 19149 1 239 . 1 1 20 20 ALA CB C 13 19.609 0.000 . . . . . A 45 ALA CB . 19149 1 240 . 1 1 20 20 ALA N N 15 123.051 0.000 . . . . . A 45 ALA N . 19149 1 241 . 1 1 21 21 ASP H H 1 8.592 0.000 . . . . . A 46 ASP H . 19149 1 242 . 1 1 21 21 ASP HA H 1 4.312 0.000 . . . . . A 46 ASP HA . 19149 1 243 . 1 1 21 21 ASP HB2 H 1 2.619 0.000 . . . . . A 46 ASP HB2 . 19149 1 244 . 1 1 21 21 ASP HB3 H 1 2.659 0.000 . . . . . A 46 ASP HB3 . 19149 1 245 . 1 1 21 21 ASP C C 13 175.945 0.000 . . . . . A 46 ASP C . 19149 1 246 . 1 1 21 21 ASP CA C 13 56.712 0.000 . . . . . A 46 ASP CA . 19149 1 247 . 1 1 21 21 ASP CB C 13 40.904 0.000 . . . . . A 46 ASP CB . 19149 1 248 . 1 1 21 21 ASP N N 15 119.600 0.000 . . . . . A 46 ASP N . 19149 1 249 . 1 1 22 22 ASP H H 1 8.256 0.000 . . . . . A 47 ASP H . 19149 1 250 . 1 1 22 22 ASP HA H 1 4.558 0.000 . . . . . A 47 ASP HA . 19149 1 251 . 1 1 22 22 ASP HB2 H 1 2.619 0.000 . . . . . A 47 ASP HB2 . 19149 1 252 . 1 1 22 22 ASP HB3 H 1 2.895 0.000 . . . . . A 47 ASP HB3 . 19149 1 253 . 1 1 22 22 ASP C C 13 175.776 0.000 . . . . . A 47 ASP C . 19149 1 254 . 1 1 22 22 ASP CA C 13 53.272 0.000 . . . . . A 47 ASP CA . 19149 1 255 . 1 1 22 22 ASP CB C 13 40.167 0.000 . . . . . A 47 ASP CB . 19149 1 256 . 1 1 22 22 ASP N N 15 115.496 0.000 . . . . . A 47 ASP N . 19149 1 257 . 1 1 23 23 ALA H H 1 7.394 0.000 . . . . . A 48 ALA H . 19149 1 258 . 1 1 23 23 ALA HA H 1 4.368 0.000 . . . . . A 48 ALA HA . 19149 1 259 . 1 1 23 23 ALA HB1 H 1 1.538 0.000 . . . . . A 48 ALA HB1 . 19149 1 260 . 1 1 23 23 ALA HB2 H 1 1.538 0.000 . . . . . A 48 ALA HB2 . 19149 1 261 . 1 1 23 23 ALA HB3 H 1 1.538 0.000 . . . . . A 48 ALA HB3 . 19149 1 262 . 1 1 23 23 ALA C C 13 177.405 0.000 . . . . . A 48 ALA C . 19149 1 263 . 1 1 23 23 ALA CA C 13 52.207 0.000 . . . . . A 48 ALA CA . 19149 1 264 . 1 1 23 23 ALA CB C 13 20.510 0.000 . . . . . A 48 ALA CB . 19149 1 265 . 1 1 23 23 ALA N N 15 122.516 0.000 . . . . . A 48 ALA N . 19149 1 266 . 1 1 24 24 GLU H H 1 8.227 0.000 . . . . . A 49 GLU H . 19149 1 267 . 1 1 24 24 GLU HA H 1 4.211 0.000 . . . . . A 49 GLU HA . 19149 1 268 . 1 1 24 24 GLU HB2 H 1 1.890 0.000 . . . . . A 49 GLU HB2 . 19149 1 269 . 1 1 24 24 GLU HB3 H 1 1.852 0.000 . . . . . A 49 GLU HB3 . 19149 1 270 . 1 1 24 24 GLU HG2 H 1 2.243 0.000 . . . . . A 49 GLU HG2 . 19149 1 271 . 1 1 24 24 GLU HG3 H 1 2.110 0.000 . . . . . A 49 GLU HG3 . 19149 1 272 . 1 1 24 24 GLU C C 13 175.533 0.000 . . . . . A 49 GLU C . 19149 1 273 . 1 1 24 24 GLU CA C 13 55.647 0.000 . . . . . A 49 GLU CA . 19149 1 274 . 1 1 24 24 GLU CB C 13 30.093 0.000 . . . . . A 49 GLU CB . 19149 1 275 . 1 1 24 24 GLU CG C 13 36.322 0.000 . . . . . A 49 GLU CG . 19149 1 276 . 1 1 24 24 GLU N N 15 120.796 0.000 . . . . . A 49 GLU N . 19149 1 277 . 1 1 25 25 ILE H H 1 8.179 0.000 . . . . . A 50 ILE H . 19149 1 278 . 1 1 25 25 ILE HA H 1 3.474 0.000 . . . . . A 50 ILE HA . 19149 1 279 . 1 1 25 25 ILE HB H 1 1.518 0.000 . . . . . A 50 ILE HB . 19149 1 280 . 1 1 25 25 ILE HG12 H 1 1.144 0.000 . . . . . A 50 ILE HG12 . 19149 1 281 . 1 1 25 25 ILE HG13 H 1 0.480 0.000 . . . . . A 50 ILE HG13 . 19149 1 282 . 1 1 25 25 ILE HG21 H 1 0.496 0.000 . . . . . A 50 ILE HG21 . 19149 1 283 . 1 1 25 25 ILE HG22 H 1 0.496 0.000 . . . . . A 50 ILE HG22 . 19149 1 284 . 1 1 25 25 ILE HG23 H 1 0.496 0.000 . . . . . A 50 ILE HG23 . 19149 1 285 . 1 1 25 25 ILE HD11 H 1 0.398 0.000 . . . . . A 50 ILE HD11 . 19149 1 286 . 1 1 25 25 ILE HD12 H 1 0.398 0.000 . . . . . A 50 ILE HD12 . 19149 1 287 . 1 1 25 25 ILE HD13 H 1 0.398 0.000 . . . . . A 50 ILE HD13 . 19149 1 288 . 1 1 25 25 ILE C C 13 174.859 0.000 . . . . . A 50 ILE C . 19149 1 289 . 1 1 25 25 ILE CA C 13 58.105 0.000 . . . . . A 50 ILE CA . 19149 1 290 . 1 1 25 25 ILE CB C 13 37.464 0.000 . . . . . A 50 ILE CB . 19149 1 291 . 1 1 25 25 ILE CG1 C 13 26.728 0.000 . . . . . A 50 ILE CG1 . 19149 1 292 . 1 1 25 25 ILE CG2 C 13 17.627 0.000 . . . . . A 50 ILE CG2 . 19149 1 293 . 1 1 25 25 ILE CD1 C 13 11.984 0.000 . . . . . A 50 ILE CD1 . 19149 1 294 . 1 1 25 25 ILE N N 15 127.078 0.000 . . . . . A 50 ILE N . 19149 1 295 . 1 1 26 26 PRO HA H 1 4.716 0.000 . . . . . A 51 PRO HA . 19149 1 296 . 1 1 26 26 PRO HB2 H 1 2.655 0.000 . . . . . A 51 PRO HB2 . 19149 1 297 . 1 1 26 26 PRO HB3 H 1 2.530 0.000 . . . . . A 51 PRO HB3 . 19149 1 298 . 1 1 26 26 PRO HG2 H 1 2.547 0.000 . . . . . A 51 PRO HG2 . 19149 1 299 . 1 1 26 26 PRO HG3 H 1 2.410 0.000 . . . . . A 51 PRO HG3 . 19149 1 300 . 1 1 26 26 PRO HD2 H 1 3.793 0.000 . . . . . A 51 PRO HD2 . 19149 1 301 . 1 1 26 26 PRO HD3 H 1 3.430 0.000 . . . . . A 51 PRO HD3 . 19149 1 302 . 1 1 26 26 PRO C C 13 177.948 0.000 . . . . . A 51 PRO C . 19149 1 303 . 1 1 26 26 PRO CA C 13 62.364 0.000 . . . . . A 51 PRO CA . 19149 1 304 . 1 1 26 26 PRO CB C 13 32.796 0.000 . . . . . A 51 PRO CB . 19149 1 305 . 1 1 26 26 PRO CG C 13 27.119 0.000 . . . . . A 51 PRO CG . 19149 1 306 . 1 1 26 26 PRO CD C 13 51.451 0.000 . . . . . A 51 PRO CD . 19149 1 307 . 1 1 27 27 GLY H H 1 8.899 0.000 . . . . . A 52 GLY H . 19149 1 308 . 1 1 27 27 GLY HA2 H 1 4.027 0.000 . . . . . A 52 GLY HA2 . 19149 1 309 . 1 1 27 27 GLY HA3 H 1 4.135 0.000 . . . . . A 52 GLY HA3 . 19149 1 310 . 1 1 27 27 GLY C C 13 174.410 0.000 . . . . . A 52 GLY C . 19149 1 311 . 1 1 27 27 GLY CA C 13 46.802 0.000 . . . . . A 52 GLY CA . 19149 1 312 . 1 1 27 27 GLY N N 15 107.298 0.000 . . . . . A 52 GLY N . 19149 1 313 . 1 1 28 28 THR H H 1 7.661 0.000 . . . . . A 53 THR H . 19149 1 314 . 1 1 28 28 THR HA H 1 5.645 0.000 . . . . . A 53 THR HA . 19149 1 315 . 1 1 28 28 THR HB H 1 4.191 0.000 . . . . . A 53 THR HB . 19149 1 316 . 1 1 28 28 THR HG21 H 1 1.252 0.000 . . . . . A 53 THR HG21 . 19149 1 317 . 1 1 28 28 THR HG22 H 1 1.252 0.000 . . . . . A 53 THR HG22 . 19149 1 318 . 1 1 28 28 THR HG23 H 1 1.252 0.000 . . . . . A 53 THR HG23 . 19149 1 319 . 1 1 28 28 THR C C 13 172.781 0.000 . . . . . A 53 THR C . 19149 1 320 . 1 1 28 28 THR CA C 13 59.579 0.000 . . . . . A 53 THR CA . 19149 1 321 . 1 1 28 28 THR CB C 13 72.930 0.000 . . . . . A 53 THR CB . 19149 1 322 . 1 1 28 28 THR CG2 C 13 21.722 0.000 . . . . . A 53 THR CG2 . 19149 1 323 . 1 1 28 28 THR N N 15 110.516 0.000 . . . . . A 53 THR N . 19149 1 324 . 1 1 29 29 TRP H H 1 8.161 0.000 . . . . . A 54 TRP H . 19149 1 325 . 1 1 29 29 TRP HA H 1 4.460 0.000 . . . . . A 54 TRP HA . 19149 1 326 . 1 1 29 29 TRP HB2 H 1 1.450 0.000 . . . . . A 54 TRP HB2 . 19149 1 327 . 1 1 29 29 TRP HB3 H 1 2.048 0.000 . . . . . A 54 TRP HB3 . 19149 1 328 . 1 1 29 29 TRP HD1 H 1 6.670 0.000 . . . . . A 54 TRP HD1 . 19149 1 329 . 1 1 29 29 TRP HE3 H 1 9.850 0.000 . . . . . A 54 TRP HE3 . 19149 1 330 . 1 1 29 29 TRP HZ2 H 1 7.330 0.000 . . . . . A 54 TRP HZ2 . 19149 1 331 . 1 1 29 29 TRP HZ3 H 1 7.380 0.000 . . . . . A 54 TRP HZ3 . 19149 1 332 . 1 1 29 29 TRP HH2 H 1 7.190 0.000 . . . . . A 54 TRP HH2 . 19149 1 333 . 1 1 29 29 TRP C C 13 174.222 0.000 . . . . . A 54 TRP C . 19149 1 334 . 1 1 29 29 TRP CA C 13 56.057 0.000 . . . . . A 54 TRP CA . 19149 1 335 . 1 1 29 29 TRP CB C 13 31.403 0.000 . . . . . A 54 TRP CB . 19149 1 336 . 1 1 29 29 TRP CD1 C 13 127.900 0.000 . . . . . A 54 TRP CD1 . 19149 1 337 . 1 1 29 29 TRP CE3 C 13 120.800 0.000 . . . . . A 54 TRP CE3 . 19149 1 338 . 1 1 29 29 TRP CZ2 C 13 114.900 0.000 . . . . . A 54 TRP CZ2 . 19149 1 339 . 1 1 29 29 TRP CZ3 C 13 121.400 0.000 . . . . . A 54 TRP CZ3 . 19149 1 340 . 1 1 29 29 TRP CH2 C 13 124.100 0.000 . . . . . A 54 TRP CH2 . 19149 1 341 . 1 1 29 29 TRP N N 15 120.834 0.000 . . . . . A 54 TRP N . 19149 1 342 . 1 1 29 29 TRP NE1 N 15 128.600 0.000 . . . . . A 54 TRP NE1 . 19149 1 343 . 1 1 30 30 LEU H H 1 7.360 0.000 . . . . . A 55 LEU H . 19149 1 344 . 1 1 30 30 LEU HA H 1 4.204 0.000 . . . . . A 55 LEU HA . 19149 1 345 . 1 1 30 30 LEU HB2 H 1 1.330 0.000 . . . . . A 55 LEU HB2 . 19149 1 346 . 1 1 30 30 LEU HB3 H 1 1.090 0.000 . . . . . A 55 LEU HB3 . 19149 1 347 . 1 1 30 30 LEU HG H 1 1.230 0.000 . . . . . A 55 LEU HG . 19149 1 348 . 1 1 30 30 LEU HD11 H 1 0.670 0.000 . . . . . A 55 LEU HD11 . 19149 1 349 . 1 1 30 30 LEU HD12 H 1 0.670 0.000 . . . . . A 55 LEU HD12 . 19149 1 350 . 1 1 30 30 LEU HD13 H 1 0.670 0.000 . . . . . A 55 LEU HD13 . 19149 1 351 . 1 1 30 30 LEU HD21 H 1 0.585 0.000 . . . . . A 55 LEU HD21 . 19149 1 352 . 1 1 30 30 LEU HD22 H 1 0.585 0.000 . . . . . A 55 LEU HD22 . 19149 1 353 . 1 1 30 30 LEU HD23 H 1 0.585 0.000 . . . . . A 55 LEU HD23 . 19149 1 354 . 1 1 30 30 LEU C C 13 175.177 0.000 . . . . . A 55 LEU C . 19149 1 355 . 1 1 30 30 LEU CA C 13 54.828 0.000 . . . . . A 55 LEU CA . 19149 1 356 . 1 1 30 30 LEU CB C 13 39.921 0.000 . . . . . A 55 LEU CB . 19149 1 357 . 1 1 30 30 LEU CG C 13 26.819 0.000 . . . . . A 55 LEU CG . 19149 1 358 . 1 1 30 30 LEU CD1 C 13 24.635 0.000 . . . . . A 55 LEU CD1 . 19149 1 359 . 1 1 30 30 LEU CD2 C 13 22.814 0.000 . . . . . A 55 LEU CD2 . 19149 1 360 . 1 1 30 30 LEU N N 15 130.424 0.000 . . . . . A 55 LEU N . 19149 1 361 . 1 1 31 31 CYS H H 1 8.110 0.000 . . . . . A 56 CYS H . 19149 1 362 . 1 1 31 31 CYS HA H 1 4.320 0.000 . . . . . A 56 CYS HA . 19149 1 363 . 1 1 31 31 CYS HB2 H 1 1.320 0.000 . . . . . A 56 CYS HB2 . 19149 1 364 . 1 1 31 31 CYS HB3 H 1 2.727 0.000 . . . . . A 56 CYS HB3 . 19149 1 365 . 1 1 31 31 CYS C C 13 176.862 0.000 . . . . . A 56 CYS C . 19149 1 366 . 1 1 31 31 CYS CA C 13 60.070 0.000 . . . . . A 56 CYS CA . 19149 1 367 . 1 1 31 31 CYS CB C 13 29.274 0.000 . . . . . A 56 CYS CB . 19149 1 368 . 1 1 31 31 CYS N N 15 125.442 0.000 . . . . . A 56 CYS N . 19149 1 369 . 1 1 32 32 ARG H H 1 8.120 0.000 . . . . . A 57 ARG H . 19149 1 370 . 1 1 32 32 ARG HA H 1 4.007 0.000 . . . . . A 57 ARG HA . 19149 1 371 . 1 1 32 32 ARG HB2 H 1 1.930 0.000 . . . . . A 57 ARG HB2 . 19149 1 372 . 1 1 32 32 ARG HB3 H 1 1.930 0.000 . . . . . A 57 ARG HB3 . 19149 1 373 . 1 1 32 32 ARG HG2 H 1 1.733 0.000 . . . . . A 57 ARG HG2 . 19149 1 374 . 1 1 32 32 ARG HG3 H 1 1.733 0.000 . . . . . A 57 ARG HG3 . 19149 1 375 . 1 1 32 32 ARG HD2 H 1 3.360 0.000 . . . . . A 57 ARG HD2 . 19149 1 376 . 1 1 32 32 ARG HD3 H 1 3.370 0.000 . . . . . A 57 ARG HD3 . 19149 1 377 . 1 1 32 32 ARG C C 13 175.608 0.000 . . . . . A 57 ARG C . 19149 1 378 . 1 1 32 32 ARG CA C 13 58.350 0.000 . . . . . A 57 ARG CA . 19149 1 379 . 1 1 32 32 ARG CB C 13 29.847 0.000 . . . . . A 57 ARG CB . 19149 1 380 . 1 1 32 32 ARG CG C 13 27.092 0.000 . . . . . A 57 ARG CG . 19149 1 381 . 1 1 32 32 ARG CD C 13 43.249 0.000 . . . . . A 57 ARG CD . 19149 1 382 . 1 1 32 32 ARG N N 15 120.000 0.000 . . . . . A 57 ARG N . 19149 1 383 . 1 1 33 33 ASN H H 1 6.907 0.000 . . . . . A 58 ASN H . 19149 1 384 . 1 1 33 33 ASN HA H 1 4.627 0.000 . . . . . A 58 ASN HA . 19149 1 385 . 1 1 33 33 ASN HB2 H 1 2.954 0.000 . . . . . A 58 ASN HB2 . 19149 1 386 . 1 1 33 33 ASN HB3 H 1 3.348 0.000 . . . . . A 58 ASN HB3 . 19149 1 387 . 1 1 33 33 ASN HD21 H 1 8.060 0.000 . . . . . A 58 ASN HD21 . 19149 1 388 . 1 1 33 33 ASN HD22 H 1 6.790 0.000 . . . . . A 58 ASN HD22 . 19149 1 389 . 1 1 33 33 ASN C C 13 175.982 0.000 . . . . . A 58 ASN C . 19149 1 390 . 1 1 33 33 ASN CA C 13 52.453 0.000 . . . . . A 58 ASN CA . 19149 1 391 . 1 1 33 33 ASN CB C 13 37.546 0.000 . . . . . A 58 ASN CB . 19149 1 392 . 1 1 33 33 ASN N N 15 114.879 0.000 . . . . . A 58 ASN N . 19149 1 393 . 1 1 33 33 ASN ND2 N 15 109.700 0.000 . . . . . A 58 ASN ND2 . 19149 1 394 . 1 1 34 34 GLY H H 1 8.222 0.000 . . . . . A 59 GLY H . 19149 1 395 . 1 1 34 34 GLY HA2 H 1 3.564 0.000 . . . . . A 59 GLY HA2 . 19149 1 396 . 1 1 34 34 GLY HA3 H 1 4.115 0.000 . . . . . A 59 GLY HA3 . 19149 1 397 . 1 1 34 34 GLY C C 13 173.324 0.000 . . . . . A 59 GLY C . 19149 1 398 . 1 1 34 34 GLY CA C 13 45.245 0.000 . . . . . A 59 GLY CA . 19149 1 399 . 1 1 34 34 GLY N N 15 107.258 0.000 . . . . . A 59 GLY N . 19149 1 400 . 1 1 35 35 MET H H 1 7.386 0.000 . . . . . A 60 MET H . 19149 1 401 . 1 1 35 35 MET HA H 1 4.539 0.000 . . . . . A 60 MET HA . 19149 1 402 . 1 1 35 35 MET HB2 H 1 2.007 0.000 . . . . . A 60 MET HB2 . 19149 1 403 . 1 1 35 35 MET HB3 H 1 2.300 0.000 . . . . . A 60 MET HB3 . 19149 1 404 . 1 1 35 35 MET HG2 H 1 2.312 0.000 . . . . . A 60 MET HG2 . 19149 1 405 . 1 1 35 35 MET HG3 H 1 2.440 0.000 . . . . . A 60 MET HG3 . 19149 1 406 . 1 1 35 35 MET C C 13 174.353 0.000 . . . . . A 60 MET C . 19149 1 407 . 1 1 35 35 MET CA C 13 54.091 0.000 . . . . . A 60 MET CA . 19149 1 408 . 1 1 35 35 MET CB C 13 35.007 0.000 . . . . . A 60 MET CB . 19149 1 409 . 1 1 35 35 MET CG C 13 32.861 0.000 . . . . . A 60 MET CG . 19149 1 410 . 1 1 35 35 MET N N 15 118.147 0.000 . . . . . A 60 MET N . 19149 1 411 . 1 1 36 36 GLU H H 1 8.742 0.000 . . . . . A 61 GLU H . 19149 1 412 . 1 1 36 36 GLU HA H 1 4.519 0.000 . . . . . A 61 GLU HA . 19149 1 413 . 1 1 36 36 GLU HB2 H 1 1.919 0.000 . . . . . A 61 GLU HB2 . 19149 1 414 . 1 1 36 36 GLU HB3 H 1 1.920 0.000 . . . . . A 61 GLU HB3 . 19149 1 415 . 1 1 36 36 GLU HG2 H 1 2.057 0.000 . . . . . A 61 GLU HG2 . 19149 1 416 . 1 1 36 36 GLU HG3 H 1 2.125 0.000 . . . . . A 61 GLU HG3 . 19149 1 417 . 1 1 36 36 GLU C C 13 176.637 0.000 . . . . . A 61 GLU C . 19149 1 418 . 1 1 36 36 GLU CA C 13 56.876 0.000 . . . . . A 61 GLU CA . 19149 1 419 . 1 1 36 36 GLU CB C 13 30.584 0.000 . . . . . A 61 GLU CB . 19149 1 420 . 1 1 36 36 GLU CG C 13 37.508 0.000 . . . . . A 61 GLU CG . 19149 1 421 . 1 1 36 36 GLU N N 15 121.830 0.000 . . . . . A 61 GLU N . 19149 1 422 . 1 1 37 37 GLY H H 1 9.783 0.000 . . . . . A 62 GLY H . 19149 1 423 . 1 1 37 37 GLY HA2 H 1 3.436 0.000 . . . . . A 62 GLY HA2 . 19149 1 424 . 1 1 37 37 GLY HA3 H 1 4.873 0.000 . . . . . A 62 GLY HA3 . 19149 1 425 . 1 1 37 37 GLY C C 13 172.145 0.000 . . . . . A 62 GLY C . 19149 1 426 . 1 1 37 37 GLY CA C 13 44.344 0.000 . . . . . A 62 GLY CA . 19149 1 427 . 1 1 37 37 GLY N N 15 116.891 0.000 . . . . . A 62 GLY N . 19149 1 428 . 1 1 38 38 THR H H 1 8.811 0.000 . . . . . A 63 THR H . 19149 1 429 . 1 1 38 38 THR HA H 1 5.060 0.000 . . . . . A 63 THR HA . 19149 1 430 . 1 1 38 38 THR HB H 1 4.165 0.000 . . . . . A 63 THR HB . 19149 1 431 . 1 1 38 38 THR HG21 H 1 1.438 0.000 . . . . . A 63 THR HG21 . 19149 1 432 . 1 1 38 38 THR HG22 H 1 1.438 0.000 . . . . . A 63 THR HG22 . 19149 1 433 . 1 1 38 38 THR HG23 H 1 1.438 0.000 . . . . . A 63 THR HG23 . 19149 1 434 . 1 1 38 38 THR C C 13 174.709 0.000 . . . . . A 63 THR C . 19149 1 435 . 1 1 38 38 THR CA C 13 62.036 0.000 . . . . . A 63 THR CA . 19149 1 436 . 1 1 38 38 THR CB C 13 71.128 0.000 . . . . . A 63 THR CB . 19149 1 437 . 1 1 38 38 THR CG2 C 13 21.556 0.000 . . . . . A 63 THR CG2 . 19149 1 438 . 1 1 38 38 THR N N 15 116.976 0.000 . . . . . A 63 THR N . 19149 1 439 . 1 1 39 39 LEU H H 1 8.178 0.000 . . . . . A 64 LEU H . 19149 1 440 . 1 1 39 39 LEU HA H 1 3.749 0.000 . . . . . A 64 LEU HA . 19149 1 441 . 1 1 39 39 LEU HB2 H 1 1.733 0.000 . . . . . A 64 LEU HB2 . 19149 1 442 . 1 1 39 39 LEU HB3 H 1 1.560 0.000 . . . . . A 64 LEU HB3 . 19149 1 443 . 1 1 39 39 LEU HG H 1 1.220 0.000 . . . . . A 64 LEU HG . 19149 1 444 . 1 1 39 39 LEU HD11 H 1 0.722 0.000 . . . . . A 64 LEU HD11 . 19149 1 445 . 1 1 39 39 LEU HD12 H 1 0.722 0.000 . . . . . A 64 LEU HD12 . 19149 1 446 . 1 1 39 39 LEU HD13 H 1 0.722 0.000 . . . . . A 64 LEU HD13 . 19149 1 447 . 1 1 39 39 LEU HD21 H 1 0.513 0.000 . . . . . A 64 LEU HD21 . 19149 1 448 . 1 1 39 39 LEU HD22 H 1 0.513 0.000 . . . . . A 64 LEU HD22 . 19149 1 449 . 1 1 39 39 LEU HD23 H 1 0.513 0.000 . . . . . A 64 LEU HD23 . 19149 1 450 . 1 1 39 39 LEU C C 13 176.581 0.000 . . . . . A 64 LEU C . 19149 1 451 . 1 1 39 39 LEU CA C 13 56.303 0.000 . . . . . A 64 LEU CA . 19149 1 452 . 1 1 39 39 LEU CB C 13 43.198 0.000 . . . . . A 64 LEU CB . 19149 1 453 . 1 1 39 39 LEU CG C 13 27.001 0.000 . . . . . A 64 LEU CG . 19149 1 454 . 1 1 39 39 LEU CD1 C 13 24.999 0.000 . . . . . A 64 LEU CD1 . 19149 1 455 . 1 1 39 39 LEU CD2 C 13 23.360 0.000 . . . . . A 64 LEU CD2 . 19149 1 456 . 1 1 39 39 LEU N N 15 129.784 0.000 . . . . . A 64 LEU N . 19149 1 457 . 1 1 40 40 ILE H H 1 8.713 0.000 . . . . . A 65 ILE H . 19149 1 458 . 1 1 40 40 ILE HA H 1 4.102 0.000 . . . . . A 65 ILE HA . 19149 1 459 . 1 1 40 40 ILE HB H 1 1.670 0.000 . . . . . A 65 ILE HB . 19149 1 460 . 1 1 40 40 ILE HG12 H 1 1.487 0.000 . . . . . A 65 ILE HG12 . 19149 1 461 . 1 1 40 40 ILE HG13 H 1 0.970 0.000 . . . . . A 65 ILE HG13 . 19149 1 462 . 1 1 40 40 ILE HG21 H 1 0.870 0.000 . . . . . A 65 ILE HG21 . 19149 1 463 . 1 1 40 40 ILE HG22 H 1 0.870 0.000 . . . . . A 65 ILE HG22 . 19149 1 464 . 1 1 40 40 ILE HG23 H 1 0.870 0.000 . . . . . A 65 ILE HG23 . 19149 1 465 . 1 1 40 40 ILE HD11 H 1 0.712 0.000 . . . . . A 65 ILE HD11 . 19149 1 466 . 1 1 40 40 ILE HD12 H 1 0.712 0.000 . . . . . A 65 ILE HD12 . 19149 1 467 . 1 1 40 40 ILE HD13 H 1 0.712 0.000 . . . . . A 65 ILE HD13 . 19149 1 468 . 1 1 40 40 ILE C C 13 175.720 0.000 . . . . . A 65 ILE C . 19149 1 469 . 1 1 40 40 ILE CA C 13 61.381 0.000 . . . . . A 65 ILE CA . 19149 1 470 . 1 1 40 40 ILE CB C 13 38.611 0.000 . . . . . A 65 ILE CB . 19149 1 471 . 1 1 40 40 ILE CG1 C 13 27.274 0.000 . . . . . A 65 ILE CG1 . 19149 1 472 . 1 1 40 40 ILE CG2 C 13 17.536 0.000 . . . . . A 65 ILE CG2 . 19149 1 473 . 1 1 40 40 ILE CD1 C 13 13.531 0.000 . . . . . A 65 ILE CD1 . 19149 1 474 . 1 1 40 40 ILE N N 15 127.682 0.000 . . . . . A 65 ILE N . 19149 1 475 . 1 1 41 41 GLU H H 1 8.392 0.000 . . . . . A 66 GLU H . 19149 1 476 . 1 1 41 41 GLU HA H 1 4.312 0.000 . . . . . A 66 GLU HA . 19149 1 477 . 1 1 41 41 GLU HB2 H 1 1.930 0.000 . . . . . A 66 GLU HB2 . 19149 1 478 . 1 1 41 41 GLU HB3 H 1 2.058 0.000 . . . . . A 66 GLU HB3 . 19149 1 479 . 1 1 41 41 GLU HG2 H 1 2.200 0.000 . . . . . A 66 GLU HG2 . 19149 1 480 . 1 1 41 41 GLU HG3 H 1 2.200 0.000 . . . . . A 66 GLU HG3 . 19149 1 481 . 1 1 41 41 GLU C C 13 176.562 0.000 . . . . . A 66 GLU C . 19149 1 482 . 1 1 41 41 GLU CA C 13 56.630 0.000 . . . . . A 66 GLU CA . 19149 1 483 . 1 1 41 41 GLU CB C 13 31.076 0.000 . . . . . A 66 GLU CB . 19149 1 484 . 1 1 41 41 GLU CG C 13 36.688 0.000 . . . . . A 66 GLU CG . 19149 1 485 . 1 1 41 41 GLU N N 15 126.115 0.000 . . . . . A 66 GLU N . 19149 1 486 . 1 1 42 42 GLY H H 1 8.330 0.000 . . . . . A 67 GLY H . 19149 1 487 . 1 1 42 42 GLY HA2 H 1 3.968 0.000 . . . . . A 67 GLY HA2 . 19149 1 488 . 1 1 42 42 GLY HA3 H 1 3.970 0.000 . . . . . A 67 GLY HA3 . 19149 1 489 . 1 1 42 42 GLY C C 13 173.474 0.000 . . . . . A 67 GLY C . 19149 1 490 . 1 1 42 42 GLY CA C 13 45.245 0.000 . . . . . A 67 GLY CA . 19149 1 491 . 1 1 42 42 GLY N N 15 109.600 0.000 . . . . . A 67 GLY N . 19149 1 492 . 1 1 43 43 ASP H H 1 8.236 0.000 . . . . . A 68 ASP H . 19149 1 493 . 1 1 43 43 ASP HA H 1 4.627 0.000 . . . . . A 68 ASP HA . 19149 1 494 . 1 1 43 43 ASP HB2 H 1 2.530 0.000 . . . . . A 68 ASP HB2 . 19149 1 495 . 1 1 43 43 ASP HB3 H 1 2.688 0.000 . . . . . A 68 ASP HB3 . 19149 1 496 . 1 1 43 43 ASP C C 13 175.926 0.000 . . . . . A 68 ASP C . 19149 1 497 . 1 1 43 43 ASP CA C 13 54.091 0.000 . . . . . A 68 ASP CA . 19149 1 498 . 1 1 43 43 ASP CB C 13 41.396 0.000 . . . . . A 68 ASP CB . 19149 1 499 . 1 1 43 43 ASP N N 15 120.192 0.000 . . . . . A 68 ASP N . 19149 1 500 . 1 1 44 44 LEU H H 1 8.130 0.000 . . . . . A 69 LEU H . 19149 1 501 . 1 1 44 44 LEU HA H 1 4.608 0.000 . . . . . A 69 LEU HA . 19149 1 502 . 1 1 44 44 LEU HB2 H 1 1.615 0.000 . . . . . A 69 LEU HB2 . 19149 1 503 . 1 1 44 44 LEU HB3 H 1 1.694 0.000 . . . . . A 69 LEU HB3 . 19149 1 504 . 1 1 44 44 LEU HG H 1 1.556 0.000 . . . . . A 69 LEU HG . 19149 1 505 . 1 1 44 44 LEU HD11 H 1 0.936 0.000 . . . . . A 69 LEU HD11 . 19149 1 506 . 1 1 44 44 LEU HD12 H 1 0.936 0.000 . . . . . A 69 LEU HD12 . 19149 1 507 . 1 1 44 44 LEU HD13 H 1 0.936 0.000 . . . . . A 69 LEU HD13 . 19149 1 508 . 1 1 44 44 LEU HD21 H 1 0.938 0.000 . . . . . A 69 LEU HD21 . 19149 1 509 . 1 1 44 44 LEU HD22 H 1 0.938 0.000 . . . . . A 69 LEU HD22 . 19149 1 510 . 1 1 44 44 LEU HD23 H 1 0.938 0.000 . . . . . A 69 LEU HD23 . 19149 1 511 . 1 1 44 44 LEU C C 13 175.233 0.000 . . . . . A 69 LEU C . 19149 1 512 . 1 1 44 44 LEU CA C 13 53.190 0.000 . . . . . A 69 LEU CA . 19149 1 513 . 1 1 44 44 LEU CB C 13 41.887 0.000 . . . . . A 69 LEU CB . 19149 1 514 . 1 1 44 44 LEU CG C 13 27.001 0.000 . . . . . A 69 LEU CG . 19149 1 515 . 1 1 44 44 LEU CD1 C 13 25.272 0.000 . . . . . A 69 LEU CD1 . 19149 1 516 . 1 1 44 44 LEU CD2 C 13 23.542 0.000 . . . . . A 69 LEU CD2 . 19149 1 517 . 1 1 44 44 LEU N N 15 123.225 0.000 . . . . . A 69 LEU N . 19149 1 518 . 1 1 45 45 PRO HA H 1 4.421 0.000 . . . . . A 70 PRO HA . 19149 1 519 . 1 1 45 45 PRO HB2 H 1 2.302 0.000 . . . . . A 70 PRO HB2 . 19149 1 520 . 1 1 45 45 PRO HB3 H 1 2.304 0.000 . . . . . A 70 PRO HB3 . 19149 1 521 . 1 1 45 45 PRO HG2 H 1 1.901 0.000 . . . . . A 70 PRO HG2 . 19149 1 522 . 1 1 45 45 PRO CA C 13 63.224 0.000 . . . . . A 70 PRO CA . 19149 1 523 . 1 1 45 45 PRO CB C 13 32.189 0.000 . . . . . A 70 PRO CB . 19149 1 524 . 1 1 45 45 PRO CG C 13 27.365 0.000 . . . . . A 70 PRO CG . 19149 1 stop_ save_