################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11170 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11170 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11170 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 1 $XWINNMR . . 11170 1 2 $NMRPipe . . 11170 1 3 $NMRVIEW . . 11170 1 4 $Kujira . . 11170 1 5 $CYANA . . 11170 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 7 7 GLY HA2 H 1 4.020 0.030 . 1 . . . . 7 GLY HA2 . 11170 1 2 . 1 1 7 7 GLY HA3 H 1 4.020 0.030 . 1 . . . . 7 GLY HA3 . 11170 1 3 . 1 1 7 7 GLY C C 13 174.528 0.300 . 1 . . . . 7 GLY C . 11170 1 4 . 1 1 7 7 GLY CA C 13 45.392 0.300 . 1 . . . . 7 GLY CA . 11170 1 5 . 1 1 8 8 THR H H 1 8.148 0.030 . 1 . . . . 8 THR H . 11170 1 6 . 1 1 8 8 THR HA H 1 4.356 0.030 . 1 . . . . 8 THR HA . 11170 1 7 . 1 1 8 8 THR HB H 1 4.312 0.030 . 1 . . . . 8 THR HB . 11170 1 8 . 1 1 8 8 THR HG21 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1 9 . 1 1 8 8 THR HG22 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1 10 . 1 1 8 8 THR HG23 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1 11 . 1 1 8 8 THR C C 13 175.231 0.300 . 1 . . . . 8 THR C . 11170 1 12 . 1 1 8 8 THR CA C 13 61.732 0.300 . 1 . . . . 8 THR CA . 11170 1 13 . 1 1 8 8 THR CB C 13 69.735 0.300 . 1 . . . . 8 THR CB . 11170 1 14 . 1 1 8 8 THR CG2 C 13 21.432 0.300 . 1 . . . . 8 THR CG2 . 11170 1 15 . 1 1 8 8 THR N N 15 112.842 0.300 . 1 . . . . 8 THR N . 11170 1 16 . 1 1 9 9 GLY H H 1 8.435 0.030 . 1 . . . . 9 GLY H . 11170 1 17 . 1 1 9 9 GLY HA2 H 1 3.947 0.030 . 2 . . . . 9 GLY HA2 . 11170 1 18 . 1 1 9 9 GLY HA3 H 1 3.920 0.030 . 2 . . . . 9 GLY HA3 . 11170 1 19 . 1 1 9 9 GLY C C 13 174.013 0.300 . 1 . . . . 9 GLY C . 11170 1 20 . 1 1 9 9 GLY CA C 13 45.240 0.300 . 1 . . . . 9 GLY CA . 11170 1 21 . 1 1 9 9 GLY N N 15 110.961 0.300 . 1 . . . . 9 GLY N . 11170 1 22 . 1 1 10 10 GLU H H 1 8.204 0.030 . 1 . . . . 10 GLU H . 11170 1 23 . 1 1 10 10 GLU HA H 1 4.192 0.030 . 1 . . . . 10 GLU HA . 11170 1 24 . 1 1 10 10 GLU HB2 H 1 1.966 0.030 . 2 . . . . 10 GLU HB2 . 11170 1 25 . 1 1 10 10 GLU HB3 H 1 1.880 0.030 . 2 . . . . 10 GLU HB3 . 11170 1 26 . 1 1 10 10 GLU HG2 H 1 2.242 0.030 . 2 . . . . 10 GLU HG2 . 11170 1 27 . 1 1 10 10 GLU HG3 H 1 2.192 0.030 . 2 . . . . 10 GLU HG3 . 11170 1 28 . 1 1 10 10 GLU C C 13 176.351 0.300 . 1 . . . . 10 GLU C . 11170 1 29 . 1 1 10 10 GLU CA C 13 56.685 0.300 . 1 . . . . 10 GLU CA . 11170 1 30 . 1 1 10 10 GLU CB C 13 30.436 0.300 . 1 . . . . 10 GLU CB . 11170 1 31 . 1 1 10 10 GLU CG C 13 36.248 0.300 . 1 . . . . 10 GLU CG . 11170 1 32 . 1 1 10 10 GLU N N 15 120.371 0.300 . 1 . . . . 10 GLU N . 11170 1 33 . 1 1 11 11 LYS H H 1 8.334 0.030 . 1 . . . . 11 LYS H . 11170 1 34 . 1 1 11 11 LYS HA H 1 4.490 0.030 . 1 . . . . 11 LYS HA . 11170 1 35 . 1 1 11 11 LYS HB2 H 1 1.569 0.030 . 2 . . . . 11 LYS HB2 . 11170 1 36 . 1 1 11 11 LYS HB3 H 1 1.470 0.030 . 2 . . . . 11 LYS HB3 . 11170 1 37 . 1 1 11 11 LYS HD2 H 1 1.485 0.030 . 1 . . . . 11 LYS HD2 . 11170 1 38 . 1 1 11 11 LYS HD3 H 1 1.485 0.030 . 1 . . . . 11 LYS HD3 . 11170 1 39 . 1 1 11 11 LYS HE2 H 1 2.899 0.030 . 1 . . . . 11 LYS HE2 . 11170 1 40 . 1 1 11 11 LYS HE3 H 1 2.899 0.030 . 1 . . . . 11 LYS HE3 . 11170 1 41 . 1 1 11 11 LYS HG2 H 1 1.327 0.030 . 2 . . . . 11 LYS HG2 . 11170 1 42 . 1 1 11 11 LYS HG3 H 1 1.203 0.030 . 2 . . . . 11 LYS HG3 . 11170 1 43 . 1 1 11 11 LYS C C 13 174.195 0.300 . 1 . . . . 11 LYS C . 11170 1 44 . 1 1 11 11 LYS CA C 13 53.965 0.300 . 1 . . . . 11 LYS CA . 11170 1 45 . 1 1 11 11 LYS CB C 13 32.996 0.300 . 1 . . . . 11 LYS CB . 11170 1 46 . 1 1 11 11 LYS CD C 13 29.427 0.300 . 1 . . . . 11 LYS CD . 11170 1 47 . 1 1 11 11 LYS CE C 13 42.292 0.300 . 1 . . . . 11 LYS CE . 11170 1 48 . 1 1 11 11 LYS CG C 13 24.923 0.300 . 1 . . . . 11 LYS CG . 11170 1 49 . 1 1 11 11 LYS N N 15 122.172 0.300 . 1 . . . . 11 LYS N . 11170 1 50 . 1 1 12 12 PRO HA H 1 4.256 0.030 . 1 . . . . 12 PRO HA . 11170 1 51 . 1 1 12 12 PRO HB2 H 1 1.223 0.030 . 2 . . . . 12 PRO HB2 . 11170 1 52 . 1 1 12 12 PRO HB3 H 1 2.020 0.030 . 2 . . . . 12 PRO HB3 . 11170 1 53 . 1 1 12 12 PRO HD2 H 1 3.636 0.030 . 1 . . . . 12 PRO HD2 . 11170 1 54 . 1 1 12 12 PRO HD3 H 1 3.636 0.030 . 1 . . . . 12 PRO HD3 . 11170 1 55 . 1 1 12 12 PRO HG2 H 1 1.822 0.030 . 2 . . . . 12 PRO HG2 . 11170 1 56 . 1 1 12 12 PRO HG3 H 1 1.618 0.030 . 2 . . . . 12 PRO HG3 . 11170 1 57 . 1 1 12 12 PRO C C 13 176.496 0.300 . 1 . . . . 12 PRO C . 11170 1 58 . 1 1 12 12 PRO CA C 13 63.513 0.300 . 1 . . . . 12 PRO CA . 11170 1 59 . 1 1 12 12 PRO CB C 13 32.218 0.300 . 1 . . . . 12 PRO CB . 11170 1 60 . 1 1 12 12 PRO CD C 13 50.434 0.300 . 1 . . . . 12 PRO CD . 11170 1 61 . 1 1 12 12 PRO CG C 13 26.694 0.300 . 1 . . . . 12 PRO CG . 11170 1 62 . 1 1 13 13 TYR H H 1 7.789 0.030 . 1 . . . . 13 TYR H . 11170 1 63 . 1 1 13 13 TYR HA H 1 4.684 0.030 . 1 . . . . 13 TYR HA . 11170 1 64 . 1 1 13 13 TYR HB2 H 1 2.770 0.030 . 2 . . . . 13 TYR HB2 . 11170 1 65 . 1 1 13 13 TYR HB3 H 1 2.962 0.030 . 2 . . . . 13 TYR HB3 . 11170 1 66 . 1 1 13 13 TYR HD1 H 1 6.969 0.030 . 1 . . . . 13 TYR HD1 . 11170 1 67 . 1 1 13 13 TYR HD2 H 1 6.969 0.030 . 1 . . . . 13 TYR HD2 . 11170 1 68 . 1 1 13 13 TYR HE1 H 1 6.875 0.030 . 1 . . . . 13 TYR HE1 . 11170 1 69 . 1 1 13 13 TYR HE2 H 1 6.875 0.030 . 1 . . . . 13 TYR HE2 . 11170 1 70 . 1 1 13 13 TYR C C 13 174.549 0.300 . 1 . . . . 13 TYR C . 11170 1 71 . 1 1 13 13 TYR CA C 13 57.319 0.300 . 1 . . . . 13 TYR CA . 11170 1 72 . 1 1 13 13 TYR CB C 13 38.774 0.300 . 1 . . . . 13 TYR CB . 11170 1 73 . 1 1 13 13 TYR CD1 C 13 133.035 0.300 . 1 . . . . 13 TYR CD1 . 11170 1 74 . 1 1 13 13 TYR CD2 C 13 133.035 0.300 . 1 . . . . 13 TYR CD2 . 11170 1 75 . 1 1 13 13 TYR CE1 C 13 118.346 0.300 . 1 . . . . 13 TYR CE1 . 11170 1 76 . 1 1 13 13 TYR CE2 C 13 118.346 0.300 . 1 . . . . 13 TYR CE2 . 11170 1 77 . 1 1 13 13 TYR N N 15 118.177 0.300 . 1 . . . . 13 TYR N . 11170 1 78 . 1 1 14 14 ARG H H 1 8.647 0.030 . 1 . . . . 14 ARG H . 11170 1 79 . 1 1 14 14 ARG HA H 1 5.061 0.030 . 1 . . . . 14 ARG HA . 11170 1 80 . 1 1 14 14 ARG HB2 H 1 1.605 0.030 . 1 . . . . 14 ARG HB2 . 11170 1 81 . 1 1 14 14 ARG HB3 H 1 1.605 0.030 . 1 . . . . 14 ARG HB3 . 11170 1 82 . 1 1 14 14 ARG HD2 H 1 3.133 0.030 . 2 . . . . 14 ARG HD2 . 11170 1 83 . 1 1 14 14 ARG HD3 H 1 3.100 0.030 . 2 . . . . 14 ARG HD3 . 11170 1 84 . 1 1 14 14 ARG HG2 H 1 1.380 0.030 . 2 . . . . 14 ARG HG2 . 11170 1 85 . 1 1 14 14 ARG HG3 H 1 1.320 0.030 . 2 . . . . 14 ARG HG3 . 11170 1 86 . 1 1 14 14 ARG C C 13 175.118 0.300 . 1 . . . . 14 ARG C . 11170 1 87 . 1 1 14 14 ARG CA C 13 54.766 0.300 . 1 . . . . 14 ARG CA . 11170 1 88 . 1 1 14 14 ARG CB C 13 33.181 0.300 . 1 . . . . 14 ARG CB . 11170 1 89 . 1 1 14 14 ARG CD C 13 43.327 0.300 . 1 . . . . 14 ARG CD . 11170 1 90 . 1 1 14 14 ARG CG C 13 27.548 0.300 . 1 . . . . 14 ARG CG . 11170 1 91 . 1 1 14 14 ARG N N 15 123.799 0.300 . 1 . . . . 14 ARG N . 11170 1 92 . 1 1 15 15 CYS H H 1 9.243 0.030 . 1 . . . . 15 CYS H . 11170 1 93 . 1 1 15 15 CYS HA H 1 4.500 0.030 . 1 . . . . 15 CYS HA . 11170 1 94 . 1 1 15 15 CYS HB2 H 1 3.413 0.030 . 2 . . . . 15 CYS HB2 . 11170 1 95 . 1 1 15 15 CYS HB3 H 1 2.894 0.030 . 2 . . . . 15 CYS HB3 . 11170 1 96 . 1 1 15 15 CYS C C 13 176.984 0.300 . 1 . . . . 15 CYS C . 11170 1 97 . 1 1 15 15 CYS CA C 13 59.540 0.300 . 1 . . . . 15 CYS CA . 11170 1 98 . 1 1 15 15 CYS CB C 13 29.702 0.300 . 1 . . . . 15 CYS CB . 11170 1 99 . 1 1 15 15 CYS N N 15 127.280 0.300 . 1 . . . . 15 CYS N . 11170 1 100 . 1 1 16 16 ALA H H 1 9.379 0.030 . 1 . . . . 16 ALA H . 11170 1 101 . 1 1 16 16 ALA HA H 1 4.172 0.030 . 1 . . . . 16 ALA HA . 11170 1 102 . 1 1 16 16 ALA HB1 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1 103 . 1 1 16 16 ALA HB2 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1 104 . 1 1 16 16 ALA HB3 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1 105 . 1 1 16 16 ALA C C 13 178.164 0.300 . 1 . . . . 16 ALA C . 11170 1 106 . 1 1 16 16 ALA CA C 13 54.597 0.300 . 1 . . . . 16 ALA CA . 11170 1 107 . 1 1 16 16 ALA CB C 13 18.876 0.300 . 1 . . . . 16 ALA CB . 11170 1 108 . 1 1 16 16 ALA N N 15 134.948 0.300 . 1 . . . . 16 ALA N . 11170 1 109 . 1 1 17 17 GLU H H 1 8.577 0.030 . 1 . . . . 17 GLU H . 11170 1 110 . 1 1 17 17 GLU HA H 1 4.173 0.030 . 1 . . . . 17 GLU HA . 11170 1 111 . 1 1 17 17 GLU HB2 H 1 1.396 0.030 . 2 . . . . 17 GLU HB2 . 11170 1 112 . 1 1 17 17 GLU HB3 H 1 1.327 0.030 . 2 . . . . 17 GLU HB3 . 11170 1 113 . 1 1 17 17 GLU HG2 H 1 1.882 0.030 . 2 . . . . 17 GLU HG2 . 11170 1 114 . 1 1 17 17 GLU HG3 H 1 1.763 0.030 . 2 . . . . 17 GLU HG3 . 11170 1 115 . 1 1 17 17 GLU C C 13 177.252 0.300 . 1 . . . . 17 GLU C . 11170 1 116 . 1 1 17 17 GLU CA C 13 58.326 0.300 . 1 . . . . 17 GLU CA . 11170 1 117 . 1 1 17 17 GLU CB C 13 29.491 0.300 . 1 . . . . 17 GLU CB . 11170 1 118 . 1 1 17 17 GLU CG C 13 35.589 0.300 . 1 . . . . 17 GLU CG . 11170 1 119 . 1 1 17 17 GLU N N 15 118.449 0.300 . 1 . . . . 17 GLU N . 11170 1 120 . 1 1 18 18 CYS H H 1 7.911 0.030 . 1 . . . . 18 CYS H . 11170 1 121 . 1 1 18 18 CYS HA H 1 5.175 0.030 . 1 . . . . 18 CYS HA . 11170 1 122 . 1 1 18 18 CYS HB2 H 1 3.441 0.030 . 2 . . . . 18 CYS HB2 . 11170 1 123 . 1 1 18 18 CYS HB3 H 1 2.836 0.030 . 2 . . . . 18 CYS HB3 . 11170 1 124 . 1 1 18 18 CYS C C 13 176.350 0.300 . 1 . . . . 18 CYS C . 11170 1 125 . 1 1 18 18 CYS CA C 13 58.311 0.300 . 1 . . . . 18 CYS CA . 11170 1 126 . 1 1 18 18 CYS CB C 13 32.525 0.300 . 1 . . . . 18 CYS CB . 11170 1 127 . 1 1 18 18 CYS N N 15 114.463 0.300 . 1 . . . . 18 CYS N . 11170 1 128 . 1 1 19 19 GLY H H 1 8.235 0.030 . 1 . . . . 19 GLY H . 11170 1 129 . 1 1 19 19 GLY HA2 H 1 3.777 0.030 . 2 . . . . 19 GLY HA2 . 11170 1 130 . 1 1 19 19 GLY HA3 H 1 4.252 0.030 . 2 . . . . 19 GLY HA3 . 11170 1 131 . 1 1 19 19 GLY C C 13 173.685 0.300 . 1 . . . . 19 GLY C . 11170 1 132 . 1 1 19 19 GLY CA C 13 46.160 0.300 . 1 . . . . 19 GLY CA . 11170 1 133 . 1 1 19 19 GLY N N 15 113.718 0.300 . 1 . . . . 19 GLY N . 11170 1 134 . 1 1 20 20 LYS H H 1 8.008 0.030 . 1 . . . . 20 LYS H . 11170 1 135 . 1 1 20 20 LYS HA H 1 3.940 0.030 . 1 . . . . 20 LYS HA . 11170 1 136 . 1 1 20 20 LYS HB2 H 1 1.215 0.030 . 2 . . . . 20 LYS HB2 . 11170 1 137 . 1 1 20 20 LYS HB3 H 1 1.475 0.030 . 2 . . . . 20 LYS HB3 . 11170 1 138 . 1 1 20 20 LYS HD2 H 1 1.514 0.030 . 2 . . . . 20 LYS HD2 . 11170 1 139 . 1 1 20 20 LYS HD3 H 1 1.405 0.030 . 2 . . . . 20 LYS HD3 . 11170 1 140 . 1 1 20 20 LYS HE2 H 1 2.964 0.030 . 2 . . . . 20 LYS HE2 . 11170 1 141 . 1 1 20 20 LYS HE3 H 1 2.890 0.030 . 2 . . . . 20 LYS HE3 . 11170 1 142 . 1 1 20 20 LYS HG2 H 1 1.389 0.030 . 2 . . . . 20 LYS HG2 . 11170 1 143 . 1 1 20 20 LYS HG3 H 1 1.033 0.030 . 2 . . . . 20 LYS HG3 . 11170 1 144 . 1 1 20 20 LYS C C 13 173.761 0.300 . 1 . . . . 20 LYS C . 11170 1 145 . 1 1 20 20 LYS CA C 13 58.350 0.300 . 1 . . . . 20 LYS CA . 11170 1 146 . 1 1 20 20 LYS CB C 13 33.612 0.300 . 1 . . . . 20 LYS CB . 11170 1 147 . 1 1 20 20 LYS CD C 13 29.382 0.300 . 1 . . . . 20 LYS CD . 11170 1 148 . 1 1 20 20 LYS CE C 13 42.187 0.300 . 1 . . . . 20 LYS CE . 11170 1 149 . 1 1 20 20 LYS CG C 13 26.128 0.300 . 1 . . . . 20 LYS CG . 11170 1 150 . 1 1 20 20 LYS N N 15 123.490 0.300 . 1 . . . . 20 LYS N . 11170 1 151 . 1 1 21 21 ALA H H 1 7.871 0.030 . 1 . . . . 21 ALA H . 11170 1 152 . 1 1 21 21 ALA HA H 1 5.131 0.030 . 1 . . . . 21 ALA HA . 11170 1 153 . 1 1 21 21 ALA HB1 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1 154 . 1 1 21 21 ALA HB2 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1 155 . 1 1 21 21 ALA HB3 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1 156 . 1 1 21 21 ALA C C 13 176.184 0.300 . 1 . . . . 21 ALA C . 11170 1 157 . 1 1 21 21 ALA CA C 13 50.516 0.300 . 1 . . . . 21 ALA CA . 11170 1 158 . 1 1 21 21 ALA CB C 13 22.126 0.300 . 1 . . . . 21 ALA CB . 11170 1 159 . 1 1 21 21 ALA N N 15 124.524 0.300 . 1 . . . . 21 ALA N . 11170 1 160 . 1 1 22 22 PHE H H 1 8.726 0.030 . 1 . . . . 22 PHE H . 11170 1 161 . 1 1 22 22 PHE HA H 1 4.731 0.030 . 1 . . . . 22 PHE HA . 11170 1 162 . 1 1 22 22 PHE HB2 H 1 3.393 0.030 . 2 . . . . 22 PHE HB2 . 11170 1 163 . 1 1 22 22 PHE HB3 H 1 2.638 0.030 . 2 . . . . 22 PHE HB3 . 11170 1 164 . 1 1 22 22 PHE HD1 H 1 7.239 0.030 . 1 . . . . 22 PHE HD1 . 11170 1 165 . 1 1 22 22 PHE HD2 H 1 7.239 0.030 . 1 . . . . 22 PHE HD2 . 11170 1 166 . 1 1 22 22 PHE HE1 H 1 6.843 0.030 . 1 . . . . 22 PHE HE1 . 11170 1 167 . 1 1 22 22 PHE HE2 H 1 6.843 0.030 . 1 . . . . 22 PHE HE2 . 11170 1 168 . 1 1 22 22 PHE HZ H 1 6.258 0.030 . 1 . . . . 22 PHE HZ . 11170 1 169 . 1 1 22 22 PHE C C 13 175.397 0.300 . 1 . . . . 22 PHE C . 11170 1 170 . 1 1 22 22 PHE CA C 13 57.441 0.300 . 1 . . . . 22 PHE CA . 11170 1 171 . 1 1 22 22 PHE CB C 13 43.835 0.300 . 1 . . . . 22 PHE CB . 11170 1 172 . 1 1 22 22 PHE CD1 C 13 132.314 0.300 . 1 . . . . 22 PHE CD1 . 11170 1 173 . 1 1 22 22 PHE CD2 C 13 132.314 0.300 . 1 . . . . 22 PHE CD2 . 11170 1 174 . 1 1 22 22 PHE CE1 C 13 130.728 0.300 . 1 . . . . 22 PHE CE1 . 11170 1 175 . 1 1 22 22 PHE CE2 C 13 130.728 0.300 . 1 . . . . 22 PHE CE2 . 11170 1 176 . 1 1 22 22 PHE CZ C 13 128.811 0.300 . 1 . . . . 22 PHE CZ . 11170 1 177 . 1 1 22 22 PHE N N 15 116.786 0.300 . 1 . . . . 22 PHE N . 11170 1 178 . 1 1 23 23 THR H H 1 8.953 0.030 . 1 . . . . 23 THR H . 11170 1 179 . 1 1 23 23 THR HA H 1 4.410 0.030 . 1 . . . . 23 THR HA . 11170 1 180 . 1 1 23 23 THR HB H 1 4.403 0.030 . 1 . . . . 23 THR HB . 11170 1 181 . 1 1 23 23 THR HG21 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1 182 . 1 1 23 23 THR HG22 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1 183 . 1 1 23 23 THR HG23 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1 184 . 1 1 23 23 THR C C 13 173.894 0.300 . 1 . . . . 23 THR C . 11170 1 185 . 1 1 23 23 THR CA C 13 64.093 0.300 . 1 . . . . 23 THR CA . 11170 1 186 . 1 1 23 23 THR CB C 13 69.539 0.300 . 1 . . . . 23 THR CB . 11170 1 187 . 1 1 23 23 THR CG2 C 13 22.449 0.300 . 1 . . . . 23 THR CG2 . 11170 1 188 . 1 1 23 23 THR N N 15 113.251 0.300 . 1 . . . . 23 THR N . 11170 1 189 . 1 1 24 24 ASP H H 1 7.651 0.030 . 1 . . . . 24 ASP H . 11170 1 190 . 1 1 24 24 ASP HA H 1 4.873 0.030 . 1 . . . . 24 ASP HA . 11170 1 191 . 1 1 24 24 ASP HB2 H 1 2.802 0.030 . 2 . . . . 24 ASP HB2 . 11170 1 192 . 1 1 24 24 ASP HB3 H 1 2.719 0.030 . 2 . . . . 24 ASP HB3 . 11170 1 193 . 1 1 24 24 ASP C C 13 175.341 0.300 . 1 . . . . 24 ASP C . 11170 1 194 . 1 1 24 24 ASP CA C 13 52.705 0.300 . 1 . . . . 24 ASP CA . 11170 1 195 . 1 1 24 24 ASP CB C 13 43.827 0.300 . 1 . . . . 24 ASP CB . 11170 1 196 . 1 1 24 24 ASP N N 15 118.355 0.300 . 1 . . . . 24 ASP N . 11170 1 197 . 1 1 25 25 ARG H H 1 8.411 0.030 . 1 . . . . 25 ARG H . 11170 1 198 . 1 1 25 25 ARG HA H 1 3.065 0.030 . 1 . . . . 25 ARG HA . 11170 1 199 . 1 1 25 25 ARG HB2 H 1 1.303 0.030 . 2 . . . . 25 ARG HB2 . 11170 1 200 . 1 1 25 25 ARG HB3 H 1 1.126 0.030 . 2 . . . . 25 ARG HB3 . 11170 1 201 . 1 1 25 25 ARG HD2 H 1 2.999 0.030 . 1 . . . . 25 ARG HD2 . 11170 1 202 . 1 1 25 25 ARG HD3 H 1 2.999 0.030 . 1 . . . . 25 ARG HD3 . 11170 1 203 . 1 1 25 25 ARG HG2 H 1 0.996 0.030 . 1 . . . . 25 ARG HG2 . 11170 1 204 . 1 1 25 25 ARG HG3 H 1 0.996 0.030 . 1 . . . . 25 ARG HG3 . 11170 1 205 . 1 1 25 25 ARG C C 13 177.679 0.300 . 1 . . . . 25 ARG C . 11170 1 206 . 1 1 25 25 ARG CA C 13 59.130 0.300 . 1 . . . . 25 ARG CA . 11170 1 207 . 1 1 25 25 ARG CB C 13 29.733 0.300 . 1 . . . . 25 ARG CB . 11170 1 208 . 1 1 25 25 ARG CD C 13 43.391 0.300 . 1 . . . . 25 ARG CD . 11170 1 209 . 1 1 25 25 ARG CG C 13 27.337 0.300 . 1 . . . . 25 ARG CG . 11170 1 210 . 1 1 25 25 ARG N N 15 124.068 0.300 . 1 . . . . 25 ARG N . 11170 1 211 . 1 1 26 26 SER H H 1 8.381 0.030 . 1 . . . . 26 SER H . 11170 1 212 . 1 1 26 26 SER HA H 1 4.104 0.030 . 1 . . . . 26 SER HA . 11170 1 213 . 1 1 26 26 SER HB2 H 1 3.867 0.030 . 1 . . . . 26 SER HB2 . 11170 1 214 . 1 1 26 26 SER HB3 H 1 3.867 0.030 . 1 . . . . 26 SER HB3 . 11170 1 215 . 1 1 26 26 SER C C 13 177.035 0.300 . 1 . . . . 26 SER C . 11170 1 216 . 1 1 26 26 SER CA C 13 61.628 0.300 . 1 . . . . 26 SER CA . 11170 1 217 . 1 1 26 26 SER CB C 13 62.054 0.300 . 1 . . . . 26 SER CB . 11170 1 218 . 1 1 26 26 SER N N 15 115.341 0.300 . 1 . . . . 26 SER N . 11170 1 219 . 1 1 27 27 ASN H H 1 7.981 0.030 . 1 . . . . 27 ASN H . 11170 1 220 . 1 1 27 27 ASN HA H 1 4.447 0.030 . 1 . . . . 27 ASN HA . 11170 1 221 . 1 1 27 27 ASN HB2 H 1 2.772 0.030 . 2 . . . . 27 ASN HB2 . 11170 1 222 . 1 1 27 27 ASN HB3 H 1 2.951 0.030 . 2 . . . . 27 ASN HB3 . 11170 1 223 . 1 1 27 27 ASN HD21 H 1 7.141 0.030 . 2 . . . . 27 ASN HD21 . 11170 1 224 . 1 1 27 27 ASN HD22 H 1 8.253 0.030 . 2 . . . . 27 ASN HD22 . 11170 1 225 . 1 1 27 27 ASN C C 13 177.718 0.300 . 1 . . . . 27 ASN C . 11170 1 226 . 1 1 27 27 ASN CA C 13 55.606 0.300 . 1 . . . . 27 ASN CA . 11170 1 227 . 1 1 27 27 ASN CB C 13 38.410 0.300 . 1 . . . . 27 ASN CB . 11170 1 228 . 1 1 27 27 ASN N N 15 120.177 0.300 . 1 . . . . 27 ASN N . 11170 1 229 . 1 1 27 27 ASN ND2 N 15 114.455 0.300 . 1 . . . . 27 ASN ND2 . 11170 1 230 . 1 1 28 28 LEU H H 1 7.012 0.030 . 1 . . . . 28 LEU H . 11170 1 231 . 1 1 28 28 LEU HA H 1 3.134 0.030 . 1 . . . . 28 LEU HA . 11170 1 232 . 1 1 28 28 LEU HB2 H 1 1.128 0.030 . 2 . . . . 28 LEU HB2 . 11170 1 233 . 1 1 28 28 LEU HB3 H 1 1.873 0.030 . 2 . . . . 28 LEU HB3 . 11170 1 234 . 1 1 28 28 LEU HD11 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1 235 . 1 1 28 28 LEU HD12 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1 236 . 1 1 28 28 LEU HD13 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1 237 . 1 1 28 28 LEU HD21 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1 238 . 1 1 28 28 LEU HD22 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1 239 . 1 1 28 28 LEU HD23 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1 240 . 1 1 28 28 LEU HG H 1 1.446 0.030 . 1 . . . . 28 LEU HG . 11170 1 241 . 1 1 28 28 LEU C C 13 177.267 0.300 . 1 . . . . 28 LEU C . 11170 1 242 . 1 1 28 28 LEU CA C 13 58.104 0.300 . 1 . . . . 28 LEU CA . 11170 1 243 . 1 1 28 28 LEU CB C 13 40.218 0.300 . 1 . . . . 28 LEU CB . 11170 1 244 . 1 1 28 28 LEU CD1 C 13 22.870 0.300 . 2 . . . . 28 LEU CD1 . 11170 1 245 . 1 1 28 28 LEU CD2 C 13 26.459 0.300 . 2 . . . . 28 LEU CD2 . 11170 1 246 . 1 1 28 28 LEU CG C 13 27.493 0.300 . 1 . . . . 28 LEU CG . 11170 1 247 . 1 1 28 28 LEU N N 15 122.074 0.300 . 1 . . . . 28 LEU N . 11170 1 248 . 1 1 29 29 PHE H H 1 8.163 0.030 . 1 . . . . 29 PHE H . 11170 1 249 . 1 1 29 29 PHE HA H 1 4.417 0.030 . 1 . . . . 29 PHE HA . 11170 1 250 . 1 1 29 29 PHE HB2 H 1 3.198 0.030 . 1 . . . . 29 PHE HB2 . 11170 1 251 . 1 1 29 29 PHE HB3 H 1 3.198 0.030 . 1 . . . . 29 PHE HB3 . 11170 1 252 . 1 1 29 29 PHE HD1 H 1 7.231 0.030 . 1 . . . . 29 PHE HD1 . 11170 1 253 . 1 1 29 29 PHE HD2 H 1 7.231 0.030 . 1 . . . . 29 PHE HD2 . 11170 1 254 . 1 1 29 29 PHE HE1 H 1 7.306 0.030 . 1 . . . . 29 PHE HE1 . 11170 1 255 . 1 1 29 29 PHE HE2 H 1 7.306 0.030 . 1 . . . . 29 PHE HE2 . 11170 1 256 . 1 1 29 29 PHE HZ H 1 7.247 0.030 . 1 . . . . 29 PHE HZ . 11170 1 257 . 1 1 29 29 PHE C C 13 179.035 0.300 . 1 . . . . 29 PHE C . 11170 1 258 . 1 1 29 29 PHE CA C 13 60.033 0.300 . 1 . . . . 29 PHE CA . 11170 1 259 . 1 1 29 29 PHE CB C 13 37.754 0.300 . 1 . . . . 29 PHE CB . 11170 1 260 . 1 1 29 29 PHE CD1 C 13 131.205 0.300 . 1 . . . . 29 PHE CD1 . 11170 1 261 . 1 1 29 29 PHE CD2 C 13 131.205 0.300 . 1 . . . . 29 PHE CD2 . 11170 1 262 . 1 1 29 29 PHE CE1 C 13 131.217 0.300 . 1 . . . . 29 PHE CE1 . 11170 1 263 . 1 1 29 29 PHE CE2 C 13 131.217 0.300 . 1 . . . . 29 PHE CE2 . 11170 1 264 . 1 1 29 29 PHE CZ C 13 129.517 0.300 . 1 . . . . 29 PHE CZ . 11170 1 265 . 1 1 29 29 PHE N N 15 119.402 0.300 . 1 . . . . 29 PHE N . 11170 1 266 . 1 1 30 30 THR H H 1 8.114 0.030 . 1 . . . . 30 THR H . 11170 1 267 . 1 1 30 30 THR HA H 1 3.790 0.030 . 1 . . . . 30 THR HA . 11170 1 268 . 1 1 30 30 THR HB H 1 4.124 0.030 . 1 . . . . 30 THR HB . 11170 1 269 . 1 1 30 30 THR HG21 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1 270 . 1 1 30 30 THR HG22 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1 271 . 1 1 30 30 THR HG23 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1 272 . 1 1 30 30 THR C C 13 176.602 0.300 . 1 . . . . 30 THR C . 11170 1 273 . 1 1 30 30 THR CA C 13 66.462 0.300 . 1 . . . . 30 THR CA . 11170 1 274 . 1 1 30 30 THR CB C 13 68.672 0.300 . 1 . . . . 30 THR CB . 11170 1 275 . 1 1 30 30 THR CG2 C 13 22.339 0.300 . 1 . . . . 30 THR CG2 . 11170 1 276 . 1 1 30 30 THR N N 15 115.549 0.300 . 1 . . . . 30 THR N . 11170 1 277 . 1 1 31 31 HIS H H 1 7.617 0.030 . 1 . . . . 31 HIS H . 11170 1 278 . 1 1 31 31 HIS HA H 1 4.178 0.030 . 1 . . . . 31 HIS HA . 11170 1 279 . 1 1 31 31 HIS HB2 H 1 2.942 0.030 . 2 . . . . 31 HIS HB2 . 11170 1 280 . 1 1 31 31 HIS HB3 H 1 3.154 0.030 . 2 . . . . 31 HIS HB3 . 11170 1 281 . 1 1 31 31 HIS HD2 H 1 6.916 0.030 . 1 . . . . 31 HIS HD2 . 11170 1 282 . 1 1 31 31 HIS HE1 H 1 8.035 0.030 . 1 . . . . 31 HIS HE1 . 11170 1 283 . 1 1 31 31 HIS C C 13 176.108 0.300 . 1 . . . . 31 HIS C . 11170 1 284 . 1 1 31 31 HIS CA C 13 59.362 0.300 . 1 . . . . 31 HIS CA . 11170 1 285 . 1 1 31 31 HIS CB C 13 28.445 0.300 . 1 . . . . 31 HIS CB . 11170 1 286 . 1 1 31 31 HIS CD2 C 13 127.304 0.300 . 1 . . . . 31 HIS CD2 . 11170 1 287 . 1 1 31 31 HIS CE1 C 13 139.620 0.300 . 1 . . . . 31 HIS CE1 . 11170 1 288 . 1 1 31 31 HIS N N 15 121.675 0.300 . 1 . . . . 31 HIS N . 11170 1 289 . 1 1 32 32 GLN H H 1 8.333 0.030 . 1 . . . . 32 GLN H . 11170 1 290 . 1 1 32 32 GLN HA H 1 3.650 0.030 . 1 . . . . 32 GLN HA . 11170 1 291 . 1 1 32 32 GLN HB2 H 1 2.287 0.030 . 2 . . . . 32 GLN HB2 . 11170 1 292 . 1 1 32 32 GLN HB3 H 1 2.191 0.030 . 2 . . . . 32 GLN HB3 . 11170 1 293 . 1 1 32 32 GLN HE21 H 1 7.579 0.030 . 2 . . . . 32 GLN HE21 . 11170 1 294 . 1 1 32 32 GLN HE22 H 1 6.942 0.030 . 2 . . . . 32 GLN HE22 . 11170 1 295 . 1 1 32 32 GLN HG2 H 1 2.842 0.030 . 1 . . . . 32 GLN HG2 . 11170 1 296 . 1 1 32 32 GLN HG3 H 1 2.842 0.030 . 1 . . . . 32 GLN HG3 . 11170 1 297 . 1 1 32 32 GLN C C 13 177.408 0.300 . 1 . . . . 32 GLN C . 11170 1 298 . 1 1 32 32 GLN CA C 13 59.359 0.300 . 1 . . . . 32 GLN CA . 11170 1 299 . 1 1 32 32 GLN CB C 13 28.248 0.300 . 1 . . . . 32 GLN CB . 11170 1 300 . 1 1 32 32 GLN CG C 13 35.473 0.300 . 1 . . . . 32 GLN CG . 11170 1 301 . 1 1 32 32 GLN N N 15 115.070 0.300 . 1 . . . . 32 GLN N . 11170 1 302 . 1 1 32 32 GLN NE2 N 15 111.959 0.300 . 1 . . . . 32 GLN NE2 . 11170 1 303 . 1 1 33 33 LYS H H 1 7.051 0.030 . 1 . . . . 33 LYS H . 11170 1 304 . 1 1 33 33 LYS HA H 1 4.047 0.030 . 1 . . . . 33 LYS HA . 11170 1 305 . 1 1 33 33 LYS HB2 H 1 1.804 0.030 . 2 . . . . 33 LYS HB2 . 11170 1 306 . 1 1 33 33 LYS HB3 H 1 1.768 0.030 . 2 . . . . 33 LYS HB3 . 11170 1 307 . 1 1 33 33 LYS HD2 H 1 1.637 0.030 . 1 . . . . 33 LYS HD2 . 11170 1 308 . 1 1 33 33 LYS HD3 H 1 1.637 0.030 . 1 . . . . 33 LYS HD3 . 11170 1 309 . 1 1 33 33 LYS HE2 H 1 2.848 0.030 . 2 . . . . 33 LYS HE2 . 11170 1 310 . 1 1 33 33 LYS HE3 H 1 2.908 0.030 . 2 . . . . 33 LYS HE3 . 11170 1 311 . 1 1 33 33 LYS HG2 H 1 1.380 0.030 . 2 . . . . 33 LYS HG2 . 11170 1 312 . 1 1 33 33 LYS HG3 H 1 1.555 0.030 . 2 . . . . 33 LYS HG3 . 11170 1 313 . 1 1 33 33 LYS C C 13 178.752 0.300 . 1 . . . . 33 LYS C . 11170 1 314 . 1 1 33 33 LYS CA C 13 58.459 0.300 . 1 . . . . 33 LYS CA . 11170 1 315 . 1 1 33 33 LYS CB C 13 32.229 0.300 . 1 . . . . 33 LYS CB . 11170 1 316 . 1 1 33 33 LYS CD C 13 29.138 0.300 . 1 . . . . 33 LYS CD . 11170 1 317 . 1 1 33 33 LYS CE C 13 42.126 0.300 . 1 . . . . 33 LYS CE . 11170 1 318 . 1 1 33 33 LYS CG C 13 25.190 0.300 . 1 . . . . 33 LYS CG . 11170 1 319 . 1 1 33 33 LYS N N 15 117.558 0.300 . 1 . . . . 33 LYS N . 11170 1 320 . 1 1 34 34 ILE H H 1 7.815 0.030 . 1 . . . . 34 ILE H . 11170 1 321 . 1 1 34 34 ILE HA H 1 3.963 0.030 . 1 . . . . 34 ILE HA . 11170 1 322 . 1 1 34 34 ILE HB H 1 1.669 0.030 . 1 . . . . 34 ILE HB . 11170 1 323 . 1 1 34 34 ILE HD11 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1 324 . 1 1 34 34 ILE HD12 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1 325 . 1 1 34 34 ILE HD13 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1 326 . 1 1 34 34 ILE HG12 H 1 0.743 0.030 . 2 . . . . 34 ILE HG12 . 11170 1 327 . 1 1 34 34 ILE HG13 H 1 0.918 0.030 . 2 . . . . 34 ILE HG13 . 11170 1 328 . 1 1 34 34 ILE HG21 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1 329 . 1 1 34 34 ILE HG22 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1 330 . 1 1 34 34 ILE HG23 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1 331 . 1 1 34 34 ILE C C 13 177.414 0.300 . 1 . . . . 34 ILE C . 11170 1 332 . 1 1 34 34 ILE CA C 13 63.058 0.300 . 1 . . . . 34 ILE CA . 11170 1 333 . 1 1 34 34 ILE CB C 13 37.691 0.300 . 1 . . . . 34 ILE CB . 11170 1 334 . 1 1 34 34 ILE CD1 C 13 14.427 0.300 . 1 . . . . 34 ILE CD1 . 11170 1 335 . 1 1 34 34 ILE CG1 C 13 26.581 0.300 . 1 . . . . 34 ILE CG1 . 11170 1 336 . 1 1 34 34 ILE CG2 C 13 16.424 0.300 . 1 . . . . 34 ILE CG2 . 11170 1 337 . 1 1 34 34 ILE N N 15 116.254 0.300 . 1 . . . . 34 ILE N . 11170 1 338 . 1 1 35 35 HIS H H 1 7.168 0.030 . 1 . . . . 35 HIS H . 11170 1 339 . 1 1 35 35 HIS HA H 1 4.852 0.030 . 1 . . . . 35 HIS HA . 11170 1 340 . 1 1 35 35 HIS HB2 H 1 3.350 0.030 . 2 . . . . 35 HIS HB2 . 11170 1 341 . 1 1 35 35 HIS HB3 H 1 3.214 0.030 . 2 . . . . 35 HIS HB3 . 11170 1 342 . 1 1 35 35 HIS HD2 H 1 6.766 0.030 . 1 . . . . 35 HIS HD2 . 11170 1 343 . 1 1 35 35 HIS HE1 H 1 8.068 0.030 . 1 . . . . 35 HIS HE1 . 11170 1 344 . 1 1 35 35 HIS C C 13 175.722 0.300 . 1 . . . . 35 HIS C . 11170 1 345 . 1 1 35 35 HIS CA C 13 55.158 0.300 . 1 . . . . 35 HIS CA . 11170 1 346 . 1 1 35 35 HIS CB C 13 28.451 0.300 . 1 . . . . 35 HIS CB . 11170 1 347 . 1 1 35 35 HIS CD2 C 13 127.745 0.300 . 1 . . . . 35 HIS CD2 . 11170 1 348 . 1 1 35 35 HIS CE1 C 13 140.048 0.300 . 1 . . . . 35 HIS CE1 . 11170 1 349 . 1 1 35 35 HIS N N 15 117.658 0.300 . 1 . . . . 35 HIS N . 11170 1 350 . 1 1 36 36 THR H H 1 7.749 0.030 . 1 . . . . 36 THR H . 11170 1 351 . 1 1 36 36 THR HA H 1 4.344 0.030 . 1 . . . . 36 THR HA . 11170 1 352 . 1 1 36 36 THR HB H 1 4.312 0.030 . 1 . . . . 36 THR HB . 11170 1 353 . 1 1 36 36 THR HG21 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1 354 . 1 1 36 36 THR HG22 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1 355 . 1 1 36 36 THR HG23 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1 356 . 1 1 36 36 THR C C 13 175.386 0.300 . 1 . . . . 36 THR C . 11170 1 357 . 1 1 36 36 THR CA C 13 62.498 0.300 . 1 . . . . 36 THR CA . 11170 1 358 . 1 1 36 36 THR CB C 13 69.820 0.300 . 1 . . . . 36 THR CB . 11170 1 359 . 1 1 36 36 THR CG2 C 13 21.610 0.300 . 1 . . . . 36 THR CG2 . 11170 1 360 . 1 1 36 36 THR N N 15 112.088 0.300 . 1 . . . . 36 THR N . 11170 1 361 . 1 1 37 37 GLY H H 1 8.235 0.030 . 1 . . . . 37 GLY H . 11170 1 362 . 1 1 37 37 GLY HA2 H 1 4.005 0.030 . 2 . . . . 37 GLY HA2 . 11170 1 363 . 1 1 37 37 GLY HA3 H 1 3.967 0.030 . 2 . . . . 37 GLY HA3 . 11170 1 364 . 1 1 37 37 GLY C C 13 174.007 0.300 . 1 . . . . 37 GLY C . 11170 1 365 . 1 1 37 37 GLY CA C 13 45.313 0.300 . 1 . . . . 37 GLY CA . 11170 1 366 . 1 1 37 37 GLY N N 15 110.725 0.300 . 1 . . . . 37 GLY N . 11170 1 367 . 1 1 38 38 GLU H H 1 8.108 0.030 . 1 . . . . 38 GLU H . 11170 1 368 . 1 1 38 38 GLU HA H 1 4.251 0.030 . 1 . . . . 38 GLU HA . 11170 1 369 . 1 1 38 38 GLU HB2 H 1 1.995 0.030 . 2 . . . . 38 GLU HB2 . 11170 1 370 . 1 1 38 38 GLU HB3 H 1 1.913 0.030 . 2 . . . . 38 GLU HB3 . 11170 1 371 . 1 1 38 38 GLU HG2 H 1 2.269 0.030 . 2 . . . . 38 GLU HG2 . 11170 1 372 . 1 1 38 38 GLU HG3 H 1 2.214 0.030 . 2 . . . . 38 GLU HG3 . 11170 1 373 . 1 1 38 38 GLU C C 13 176.244 0.300 . 1 . . . . 38 GLU C . 11170 1 374 . 1 1 38 38 GLU CA C 13 56.465 0.300 . 1 . . . . 38 GLU CA . 11170 1 375 . 1 1 38 38 GLU CB C 13 30.539 0.300 . 1 . . . . 38 GLU CB . 11170 1 376 . 1 1 38 38 GLU CG C 13 36.227 0.300 . 1 . . . . 38 GLU CG . 11170 1 377 . 1 1 38 38 GLU N N 15 120.554 0.300 . 1 . . . . 38 GLU N . 11170 1 378 . 1 1 39 39 LYS H H 1 8.382 0.030 . 1 . . . . 39 LYS H . 11170 1 379 . 1 1 39 39 LYS HA H 1 4.614 0.030 . 1 . . . . 39 LYS HA . 11170 1 380 . 1 1 39 39 LYS HB2 H 1 1.814 0.030 . 2 . . . . 39 LYS HB2 . 11170 1 381 . 1 1 39 39 LYS HB3 H 1 1.722 0.030 . 2 . . . . 39 LYS HB3 . 11170 1 382 . 1 1 39 39 LYS HD2 H 1 1.687 0.030 . 1 . . . . 39 LYS HD2 . 11170 1 383 . 1 1 39 39 LYS HD3 H 1 1.687 0.030 . 1 . . . . 39 LYS HD3 . 11170 1 384 . 1 1 39 39 LYS HE2 H 1 2.906 0.030 . 1 . . . . 39 LYS HE2 . 11170 1 385 . 1 1 39 39 LYS HE3 H 1 2.906 0.030 . 1 . . . . 39 LYS HE3 . 11170 1 386 . 1 1 39 39 LYS HG2 H 1 1.458 0.030 . 1 . . . . 39 LYS HG2 . 11170 1 387 . 1 1 39 39 LYS HG3 H 1 1.458 0.030 . 1 . . . . 39 LYS HG3 . 11170 1 388 . 1 1 39 39 LYS C C 13 174.444 0.300 . 1 . . . . 39 LYS C . 11170 1 389 . 1 1 39 39 LYS CA C 13 54.104 0.300 . 1 . . . . 39 LYS CA . 11170 1 390 . 1 1 39 39 LYS CB C 13 32.515 0.300 . 1 . . . . 39 LYS CB . 11170 1 391 . 1 1 39 39 LYS CD C 13 29.078 0.300 . 1 . . . . 39 LYS CD . 11170 1 392 . 1 1 39 39 LYS CE C 13 42.085 0.300 . 1 . . . . 39 LYS CE . 11170 1 393 . 1 1 39 39 LYS CG C 13 24.524 0.300 . 1 . . . . 39 LYS CG . 11170 1 394 . 1 1 39 39 LYS N N 15 123.768 0.300 . 1 . . . . 39 LYS N . 11170 1 395 . 1 1 40 40 PRO HA H 1 4.469 0.030 . 1 . . . . 40 PRO HA . 11170 1 396 . 1 1 40 40 PRO HB2 H 1 2.303 0.030 . 2 . . . . 40 PRO HB2 . 11170 1 397 . 1 1 40 40 PRO HB3 H 1 1.939 0.030 . 2 . . . . 40 PRO HB3 . 11170 1 398 . 1 1 40 40 PRO HD2 H 1 3.826 0.030 . 2 . . . . 40 PRO HD2 . 11170 1 399 . 1 1 40 40 PRO HD3 H 1 3.642 0.030 . 2 . . . . 40 PRO HD3 . 11170 1 400 . 1 1 40 40 PRO HG2 H 1 2.015 0.030 . 1 . . . . 40 PRO HG2 . 11170 1 401 . 1 1 40 40 PRO HG3 H 1 2.015 0.030 . 1 . . . . 40 PRO HG3 . 11170 1 402 . 1 1 40 40 PRO CA C 13 63.201 0.300 . 1 . . . . 40 PRO CA . 11170 1 403 . 1 1 40 40 PRO CB C 13 32.120 0.300 . 1 . . . . 40 PRO CB . 11170 1 404 . 1 1 40 40 PRO CD C 13 50.700 0.300 . 1 . . . . 40 PRO CD . 11170 1 405 . 1 1 40 40 PRO CG C 13 27.296 0.300 . 1 . . . . 40 PRO CG . 11170 1 406 . 1 1 41 41 SER H H 1 8.491 0.030 . 1 . . . . 41 SER H . 11170 1 407 . 1 1 41 41 SER HA H 1 4.467 0.030 . 1 . . . . 41 SER HA . 11170 1 408 . 1 1 41 41 SER HB2 H 1 3.894 0.030 . 1 . . . . 41 SER HB2 . 11170 1 409 . 1 1 41 41 SER HB3 H 1 3.894 0.030 . 1 . . . . 41 SER HB3 . 11170 1 410 . 1 1 41 41 SER CA C 13 58.519 0.300 . 1 . . . . 41 SER CA . 11170 1 411 . 1 1 41 41 SER CB C 13 64.123 0.300 . 1 . . . . 41 SER CB . 11170 1 412 . 1 1 41 41 SER N N 15 116.538 0.300 . 1 . . . . 41 SER N . 11170 1 413 . 1 1 42 42 GLY HA2 H 1 4.165 0.030 . 2 . . . . 42 GLY HA2 . 11170 1 414 . 1 1 42 42 GLY HA3 H 1 4.103 0.030 . 2 . . . . 42 GLY HA3 . 11170 1 415 . 1 1 42 42 GLY CA C 13 44.660 0.300 . 1 . . . . 42 GLY CA . 11170 1 416 . 1 1 43 43 PRO HA H 1 4.471 0.030 . 1 . . . . 43 PRO HA . 11170 1 417 . 1 1 43 43 PRO HB2 H 1 1.940 0.030 . 1 . . . . 43 PRO HB2 . 11170 1 418 . 1 1 43 43 PRO HB3 H 1 1.940 0.030 . 1 . . . . 43 PRO HB3 . 11170 1 419 . 1 1 43 43 PRO HD2 H 1 3.630 0.030 . 1 . . . . 43 PRO HD2 . 11170 1 420 . 1 1 43 43 PRO HD3 H 1 3.630 0.030 . 1 . . . . 43 PRO HD3 . 11170 1 421 . 1 1 43 43 PRO HG2 H 1 2.013 0.030 . 1 . . . . 43 PRO HG2 . 11170 1 422 . 1 1 43 43 PRO HG3 H 1 2.013 0.030 . 1 . . . . 43 PRO HG3 . 11170 1 423 . 1 1 43 43 PRO CA C 13 63.280 0.300 . 1 . . . . 43 PRO CA . 11170 1 424 . 1 1 43 43 PRO CB C 13 32.278 0.300 . 1 . . . . 43 PRO CB . 11170 1 425 . 1 1 43 43 PRO CD C 13 49.834 0.300 . 1 . . . . 43 PRO CD . 11170 1 426 . 1 1 43 43 PRO CG C 13 27.203 0.300 . 1 . . . . 43 PRO CG . 11170 1 stop_ save_