################################### # 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 11379 _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 15N-separated NOESY' 1 $sample_1 isotropic 11379 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11379 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 . . 11379 1 2 $NMRPipe . . 11379 1 3 $NMRView . . 11379 1 4 $Kujira . . 11379 1 5 $CYANA . . 11379 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 9 9 THR HA H 1 4.349 0.030 . 1 . . . . 9 THR HA . 11379 1 2 . 1 1 9 9 THR HB H 1 4.235 0.030 . 1 . . . . 9 THR HB . 11379 1 3 . 1 1 9 9 THR HG21 H 1 1.228 0.030 . 1 . . . . 9 THR HG2 . 11379 1 4 . 1 1 9 9 THR HG22 H 1 1.228 0.030 . 1 . . . . 9 THR HG2 . 11379 1 5 . 1 1 9 9 THR HG23 H 1 1.228 0.030 . 1 . . . . 9 THR HG2 . 11379 1 6 . 1 1 9 9 THR CA C 13 62.076 0.300 . 1 . . . . 9 THR CA . 11379 1 7 . 1 1 9 9 THR CB C 13 69.882 0.300 . 1 . . . . 9 THR CB . 11379 1 8 . 1 1 9 9 THR CG2 C 13 21.735 0.300 . 1 . . . . 9 THR CG2 . 11379 1 9 . 1 1 10 10 ARG HA H 1 4.272 0.030 . 1 . . . . 10 ARG HA . 11379 1 10 . 1 1 10 10 ARG HB2 H 1 2.008 0.030 . 2 . . . . 10 ARG HB2 . 11379 1 11 . 1 1 10 10 ARG HB3 H 1 1.920 0.030 . 2 . . . . 10 ARG HB3 . 11379 1 12 . 1 1 10 10 ARG HD2 H 1 3.193 0.030 . 2 . . . . 10 ARG HD2 . 11379 1 13 . 1 1 10 10 ARG C C 13 176.198 0.300 . 1 . . . . 10 ARG C . 11379 1 14 . 1 1 10 10 ARG CA C 13 56.471 0.300 . 1 . . . . 10 ARG CA . 11379 1 15 . 1 1 10 10 ARG CB C 13 30.484 0.300 . 1 . . . . 10 ARG CB . 11379 1 16 . 1 1 10 10 ARG CD C 13 43.344 0.300 . 1 . . . . 10 ARG CD . 11379 1 17 . 1 1 10 10 ARG CG C 13 30.673 0.300 . 1 . . . . 10 ARG CG . 11379 1 18 . 1 1 11 11 LYS H H 1 8.359 0.030 . 1 . . . . 11 LYS H . 11379 1 19 . 1 1 11 11 LYS HA H 1 4.348 0.030 . 1 . . . . 11 LYS HA . 11379 1 20 . 1 1 11 11 LYS HB2 H 1 1.877 0.030 . 2 . . . . 11 LYS HB2 . 11379 1 21 . 1 1 11 11 LYS HB3 H 1 1.761 0.030 . 2 . . . . 11 LYS HB3 . 11379 1 22 . 1 1 11 11 LYS HD2 H 1 1.692 0.030 . 2 . . . . 11 LYS HD2 . 11379 1 23 . 1 1 11 11 LYS HE2 H 1 2.998 0.030 . 2 . . . . 11 LYS HE2 . 11379 1 24 . 1 1 11 11 LYS HG2 H 1 1.426 0.030 . 2 . . . . 11 LYS HG2 . 11379 1 25 . 1 1 11 11 LYS HG3 H 1 1.454 0.030 . 2 . . . . 11 LYS HG3 . 11379 1 26 . 1 1 11 11 LYS C C 13 175.838 0.300 . 1 . . . . 11 LYS C . 11379 1 27 . 1 1 11 11 LYS CA C 13 56.235 0.300 . 1 . . . . 11 LYS CA . 11379 1 28 . 1 1 11 11 LYS CB C 13 33.390 0.300 . 1 . . . . 11 LYS CB . 11379 1 29 . 1 1 11 11 LYS CD C 13 29.160 0.300 . 1 . . . . 11 LYS CD . 11379 1 30 . 1 1 11 11 LYS CE C 13 42.037 0.300 . 1 . . . . 11 LYS CE . 11379 1 31 . 1 1 11 11 LYS CG C 13 24.899 0.300 . 1 . . . . 11 LYS CG . 11379 1 32 . 1 1 11 11 LYS N N 15 123.165 0.300 . 1 . . . . 11 LYS N . 11379 1 33 . 1 1 12 12 GLN H H 1 8.062 0.030 . 1 . . . . 12 GLN H . 11379 1 34 . 1 1 12 12 GLN HA H 1 4.380 0.030 . 1 . . . . 12 GLN HA . 11379 1 35 . 1 1 12 12 GLN HB2 H 1 1.895 0.030 . 2 . . . . 12 GLN HB2 . 11379 1 36 . 1 1 12 12 GLN HB3 H 1 1.987 0.030 . 2 . . . . 12 GLN HB3 . 11379 1 37 . 1 1 12 12 GLN HG2 H 1 2.295 0.030 . 2 . . . . 12 GLN HG2 . 11379 1 38 . 1 1 12 12 GLN HG3 H 1 2.219 0.030 . 2 . . . . 12 GLN HG3 . 11379 1 39 . 1 1 12 12 GLN C C 13 175.329 0.300 . 1 . . . . 12 GLN C . 11379 1 40 . 1 1 12 12 GLN CA C 13 56.139 0.300 . 1 . . . . 12 GLN CA . 11379 1 41 . 1 1 12 12 GLN CB C 13 29.902 0.300 . 1 . . . . 12 GLN CB . 11379 1 42 . 1 1 12 12 GLN CG C 13 34.319 0.300 . 1 . . . . 12 GLN CG . 11379 1 43 . 1 1 12 12 GLN N N 15 120.198 0.300 . 1 . . . . 12 GLN N . 11379 1 44 . 1 1 13 13 VAL H H 1 8.416 0.030 . 1 . . . . 13 VAL H . 11379 1 45 . 1 1 13 13 VAL HA H 1 4.411 0.030 . 1 . . . . 13 VAL HA . 11379 1 46 . 1 1 13 13 VAL HB H 1 2.084 0.030 . 1 . . . . 13 VAL HB . 11379 1 47 . 1 1 13 13 VAL HG11 H 1 0.814 0.030 . 1 . . . . 13 VAL HG1 . 11379 1 48 . 1 1 13 13 VAL HG12 H 1 0.814 0.030 . 1 . . . . 13 VAL HG1 . 11379 1 49 . 1 1 13 13 VAL HG13 H 1 0.814 0.030 . 1 . . . . 13 VAL HG1 . 11379 1 50 . 1 1 13 13 VAL HG21 H 1 0.750 0.030 . 1 . . . . 13 VAL HG2 . 11379 1 51 . 1 1 13 13 VAL HG22 H 1 0.750 0.030 . 1 . . . . 13 VAL HG2 . 11379 1 52 . 1 1 13 13 VAL HG23 H 1 0.750 0.030 . 1 . . . . 13 VAL HG2 . 11379 1 53 . 1 1 13 13 VAL C C 13 173.214 0.300 . 1 . . . . 13 VAL C . 11379 1 54 . 1 1 13 13 VAL CA C 13 60.522 0.300 . 1 . . . . 13 VAL CA . 11379 1 55 . 1 1 13 13 VAL CB C 13 33.876 0.300 . 1 . . . . 13 VAL CB . 11379 1 56 . 1 1 13 13 VAL CG1 C 13 22.372 0.300 . 2 . . . . 13 VAL CG1 . 11379 1 57 . 1 1 13 13 VAL CG2 C 13 20.347 0.300 . 2 . . . . 13 VAL CG2 . 11379 1 58 . 1 1 13 13 VAL N N 15 118.347 0.300 . 1 . . . . 13 VAL N . 11379 1 59 . 1 1 14 14 ALA H H 1 8.313 0.030 . 1 . . . . 14 ALA H . 11379 1 60 . 1 1 14 14 ALA HA H 1 5.260 0.030 . 1 . . . . 14 ALA HA . 11379 1 61 . 1 1 14 14 ALA HB1 H 1 1.113 0.030 . 1 . . . . 14 ALA HB . 11379 1 62 . 1 1 14 14 ALA HB2 H 1 1.113 0.030 . 1 . . . . 14 ALA HB . 11379 1 63 . 1 1 14 14 ALA HB3 H 1 1.113 0.030 . 1 . . . . 14 ALA HB . 11379 1 64 . 1 1 14 14 ALA C C 13 176.908 0.300 . 1 . . . . 14 ALA C . 11379 1 65 . 1 1 14 14 ALA CA C 13 49.846 0.300 . 1 . . . . 14 ALA CA . 11379 1 66 . 1 1 14 14 ALA CB C 13 21.747 0.300 . 1 . . . . 14 ALA CB . 11379 1 67 . 1 1 14 14 ALA N N 15 125.355 0.300 . 1 . . . . 14 ALA N . 11379 1 68 . 1 1 15 15 CYS H H 1 9.132 0.030 . 1 . . . . 15 CYS H . 11379 1 69 . 1 1 15 15 CYS HA H 1 4.317 0.030 . 1 . . . . 15 CYS HA . 11379 1 70 . 1 1 15 15 CYS HB2 H 1 2.824 0.030 . 2 . . . . 15 CYS HB2 . 11379 1 71 . 1 1 15 15 CYS HB3 H 1 3.352 0.030 . 2 . . . . 15 CYS HB3 . 11379 1 72 . 1 1 15 15 CYS C C 13 177.379 0.300 . 1 . . . . 15 CYS C . 11379 1 73 . 1 1 15 15 CYS CA C 13 60.121 0.300 . 1 . . . . 15 CYS CA . 11379 1 74 . 1 1 15 15 CYS CB C 13 30.063 0.300 . 1 . . . . 15 CYS CB . 11379 1 75 . 1 1 15 15 CYS N N 15 123.043 0.300 . 1 . . . . 15 CYS N . 11379 1 76 . 1 1 16 16 GLU H H 1 10.288 0.030 . 1 . . . . 16 GLU H . 11379 1 77 . 1 1 16 16 GLU HA H 1 4.199 0.030 . 1 . . . . 16 GLU HA . 11379 1 78 . 1 1 16 16 GLU HB2 H 1 2.150 0.030 . 2 . . . . 16 GLU HB2 . 11379 1 79 . 1 1 16 16 GLU HB3 H 1 2.068 0.030 . 2 . . . . 16 GLU HB3 . 11379 1 80 . 1 1 16 16 GLU HG2 H 1 2.422 0.030 . 2 . . . . 16 GLU HG2 . 11379 1 81 . 1 1 16 16 GLU HG3 H 1 2.310 0.030 . 2 . . . . 16 GLU HG3 . 11379 1 82 . 1 1 16 16 GLU C C 13 176.100 0.300 . 1 . . . . 16 GLU C . 11379 1 83 . 1 1 16 16 GLU CA C 13 58.915 0.300 . 1 . . . . 16 GLU CA . 11379 1 84 . 1 1 16 16 GLU CB C 13 28.683 0.300 . 1 . . . . 16 GLU CB . 11379 1 85 . 1 1 16 16 GLU CG C 13 35.964 0.300 . 1 . . . . 16 GLU CG . 11379 1 86 . 1 1 16 16 GLU N N 15 133.354 0.300 . 1 . . . . 16 GLU N . 11379 1 87 . 1 1 17 17 ILE H H 1 8.907 0.030 . 1 . . . . 17 ILE H . 11379 1 88 . 1 1 17 17 ILE HA H 1 3.872 0.030 . 1 . . . . 17 ILE HA . 11379 1 89 . 1 1 17 17 ILE HB H 1 1.236 0.030 . 1 . . . . 17 ILE HB . 11379 1 90 . 1 1 17 17 ILE HD11 H 1 0.648 0.030 . 1 . . . . 17 ILE HD1 . 11379 1 91 . 1 1 17 17 ILE HD12 H 1 0.648 0.030 . 1 . . . . 17 ILE HD1 . 11379 1 92 . 1 1 17 17 ILE HD13 H 1 0.648 0.030 . 1 . . . . 17 ILE HD1 . 11379 1 93 . 1 1 17 17 ILE HG12 H 1 1.340 0.030 . 2 . . . . 17 ILE HG12 . 11379 1 94 . 1 1 17 17 ILE HG13 H 1 1.026 0.030 . 2 . . . . 17 ILE HG13 . 11379 1 95 . 1 1 17 17 ILE HG21 H 1 0.242 0.030 . 1 . . . . 17 ILE HG2 . 11379 1 96 . 1 1 17 17 ILE HG22 H 1 0.242 0.030 . 1 . . . . 17 ILE HG2 . 11379 1 97 . 1 1 17 17 ILE HG23 H 1 0.242 0.030 . 1 . . . . 17 ILE HG2 . 11379 1 98 . 1 1 17 17 ILE C C 13 176.931 0.300 . 1 . . . . 17 ILE C . 11379 1 99 . 1 1 17 17 ILE CA C 13 63.449 0.300 . 1 . . . . 17 ILE CA . 11379 1 100 . 1 1 17 17 ILE CB C 13 38.209 0.300 . 1 . . . . 17 ILE CB . 11379 1 101 . 1 1 17 17 ILE CD1 C 13 12.588 0.300 . 1 . . . . 17 ILE CD1 . 11379 1 102 . 1 1 17 17 ILE CG1 C 13 28.221 0.300 . 1 . . . . 17 ILE CG1 . 11379 1 103 . 1 1 17 17 ILE CG2 C 13 16.258 0.300 . 1 . . . . 17 ILE CG2 . 11379 1 104 . 1 1 17 17 ILE N N 15 122.575 0.300 . 1 . . . . 17 ILE N . 11379 1 105 . 1 1 18 18 CYS H H 1 8.111 0.030 . 1 . . . . 18 CYS H . 11379 1 106 . 1 1 18 18 CYS HA H 1 5.135 0.030 . 1 . . . . 18 CYS HA . 11379 1 107 . 1 1 18 18 CYS HB2 H 1 3.458 0.030 . 2 . . . . 18 CYS HB2 . 11379 1 108 . 1 1 18 18 CYS HB3 H 1 2.836 0.030 . 2 . . . . 18 CYS HB3 . 11379 1 109 . 1 1 18 18 CYS C C 13 176.593 0.300 . 1 . . . . 18 CYS C . 11379 1 110 . 1 1 18 18 CYS CA C 13 58.320 0.300 . 1 . . . . 18 CYS CA . 11379 1 111 . 1 1 18 18 CYS CB C 13 32.757 0.300 . 1 . . . . 18 CYS CB . 11379 1 112 . 1 1 18 18 CYS N N 15 115.992 0.300 . 1 . . . . 18 CYS N . 11379 1 113 . 1 1 19 19 GLY H H 1 8.198 0.030 . 1 . . . . 19 GLY H . 11379 1 114 . 1 1 19 19 GLY HA2 H 1 4.195 0.030 . 2 . . . . 19 GLY HA2 . 11379 1 115 . 1 1 19 19 GLY HA3 H 1 3.814 0.030 . 2 . . . . 19 GLY HA3 . 11379 1 116 . 1 1 19 19 GLY C C 13 173.659 0.300 . 1 . . . . 19 GLY C . 11379 1 117 . 1 1 19 19 GLY CA C 13 46.261 0.300 . 1 . . . . 19 GLY CA . 11379 1 118 . 1 1 19 19 GLY N N 15 113.754 0.300 . 1 . . . . 19 GLY N . 11379 1 119 . 1 1 20 20 LYS H H 1 7.882 0.030 . 1 . . . . 20 LYS H . 11379 1 120 . 1 1 20 20 LYS HA H 1 3.994 0.030 . 1 . . . . 20 LYS HA . 11379 1 121 . 1 1 20 20 LYS HB2 H 1 1.484 0.030 . 2 . . . . 20 LYS HB2 . 11379 1 122 . 1 1 20 20 LYS HB3 H 1 1.332 0.030 . 2 . . . . 20 LYS HB3 . 11379 1 123 . 1 1 20 20 LYS HD2 H 1 1.567 0.030 . 2 . . . . 20 LYS HD2 . 11379 1 124 . 1 1 20 20 LYS HD3 H 1 1.492 0.030 . 2 . . . . 20 LYS HD3 . 11379 1 125 . 1 1 20 20 LYS HE2 H 1 2.927 0.030 . 2 . . . . 20 LYS HE2 . 11379 1 126 . 1 1 20 20 LYS HG2 H 1 1.126 0.030 . 2 . . . . 20 LYS HG2 . 11379 1 127 . 1 1 20 20 LYS HG3 H 1 1.520 0.030 . 2 . . . . 20 LYS HG3 . 11379 1 128 . 1 1 20 20 LYS C C 13 174.052 0.300 . 1 . . . . 20 LYS C . 11379 1 129 . 1 1 20 20 LYS CA C 13 58.186 0.300 . 1 . . . . 20 LYS CA . 11379 1 130 . 1 1 20 20 LYS CB C 13 33.935 0.300 . 1 . . . . 20 LYS CB . 11379 1 131 . 1 1 20 20 LYS CD C 13 29.420 0.300 . 1 . . . . 20 LYS CD . 11379 1 132 . 1 1 20 20 LYS CE C 13 42.276 0.300 . 1 . . . . 20 LYS CE . 11379 1 133 . 1 1 20 20 LYS CG C 13 26.471 0.300 . 1 . . . . 20 LYS CG . 11379 1 134 . 1 1 20 20 LYS N N 15 122.391 0.300 . 1 . . . . 20 LYS N . 11379 1 135 . 1 1 21 21 ILE H H 1 7.717 0.030 . 1 . . . . 21 ILE H . 11379 1 136 . 1 1 21 21 ILE HA H 1 4.384 0.030 . 1 . . . . 21 ILE HA . 11379 1 137 . 1 1 21 21 ILE HB H 1 1.453 0.030 . 1 . . . . 21 ILE HB . 11379 1 138 . 1 1 21 21 ILE HD11 H 1 0.699 0.030 . 1 . . . . 21 ILE HD1 . 11379 1 139 . 1 1 21 21 ILE HD12 H 1 0.699 0.030 . 1 . . . . 21 ILE HD1 . 11379 1 140 . 1 1 21 21 ILE HD13 H 1 0.699 0.030 . 1 . . . . 21 ILE HD1 . 11379 1 141 . 1 1 21 21 ILE HG12 H 1 0.994 0.030 . 2 . . . . 21 ILE HG12 . 11379 1 142 . 1 1 21 21 ILE HG13 H 1 1.461 0.030 . 2 . . . . 21 ILE HG13 . 11379 1 143 . 1 1 21 21 ILE HG21 H 1 0.677 0.030 . 1 . . . . 21 ILE HG2 . 11379 1 144 . 1 1 21 21 ILE HG22 H 1 0.677 0.030 . 1 . . . . 21 ILE HG2 . 11379 1 145 . 1 1 21 21 ILE HG23 H 1 0.677 0.030 . 1 . . . . 21 ILE HG2 . 11379 1 146 . 1 1 21 21 ILE C C 13 175.421 0.300 . 1 . . . . 21 ILE C . 11379 1 147 . 1 1 21 21 ILE CA C 13 60.233 0.300 . 1 . . . . 21 ILE CA . 11379 1 148 . 1 1 21 21 ILE CB C 13 39.157 0.300 . 1 . . . . 21 ILE CB . 11379 1 149 . 1 1 21 21 ILE CD1 C 13 12.556 0.300 . 1 . . . . 21 ILE CD1 . 11379 1 150 . 1 1 21 21 ILE CG1 C 13 27.721 0.300 . 1 . . . . 21 ILE CG1 . 11379 1 151 . 1 1 21 21 ILE CG2 C 13 18.196 0.300 . 1 . . . . 21 ILE CG2 . 11379 1 152 . 1 1 21 21 ILE N N 15 120.488 0.300 . 1 . . . . 21 ILE N . 11379 1 153 . 1 1 22 22 PHE H H 1 8.818 0.030 . 1 . . . . 22 PHE H . 11379 1 154 . 1 1 22 22 PHE HA H 1 4.516 0.030 . 1 . . . . 22 PHE HA . 11379 1 155 . 1 1 22 22 PHE HB2 H 1 2.542 0.030 . 2 . . . . 22 PHE HB2 . 11379 1 156 . 1 1 22 22 PHE HB3 H 1 3.156 0.030 . 2 . . . . 22 PHE HB3 . 11379 1 157 . 1 1 22 22 PHE HD1 H 1 7.064 0.030 . 1 . . . . 22 PHE HD1 . 11379 1 158 . 1 1 22 22 PHE HD2 H 1 7.064 0.030 . 1 . . . . 22 PHE HD2 . 11379 1 159 . 1 1 22 22 PHE HE1 H 1 6.727 0.030 . 1 . . . . 22 PHE HE1 . 11379 1 160 . 1 1 22 22 PHE HE2 H 1 6.727 0.030 . 1 . . . . 22 PHE HE2 . 11379 1 161 . 1 1 22 22 PHE HZ H 1 6.031 0.030 . 1 . . . . 22 PHE HZ . 11379 1 162 . 1 1 22 22 PHE C C 13 175.344 0.300 . 1 . . . . 22 PHE C . 11379 1 163 . 1 1 22 22 PHE CA C 13 57.333 0.300 . 1 . . . . 22 PHE CA . 11379 1 164 . 1 1 22 22 PHE CB C 13 43.962 0.300 . 1 . . . . 22 PHE CB . 11379 1 165 . 1 1 22 22 PHE CD1 C 13 131.832 0.300 . 1 . . . . 22 PHE CD1 . 11379 1 166 . 1 1 22 22 PHE CD2 C 13 131.832 0.300 . 1 . . . . 22 PHE CD2 . 11379 1 167 . 1 1 22 22 PHE CE1 C 13 130.859 0.300 . 1 . . . . 22 PHE CE1 . 11379 1 168 . 1 1 22 22 PHE CE2 C 13 130.859 0.300 . 1 . . . . 22 PHE CE2 . 11379 1 169 . 1 1 22 22 PHE CZ C 13 128.479 0.300 . 1 . . . . 22 PHE CZ . 11379 1 170 . 1 1 22 22 PHE N N 15 123.563 0.300 . 1 . . . . 22 PHE N . 11379 1 171 . 1 1 23 23 ARG HA H 1 4.109 0.030 . 1 . . . . 23 ARG HA . 11379 1 172 . 1 1 23 23 ARG HB2 H 1 1.663 0.030 . 2 . . . . 23 ARG HB2 . 11379 1 173 . 1 1 23 23 ARG HB3 H 1 1.752 0.030 . 2 . . . . 23 ARG HB3 . 11379 1 174 . 1 1 23 23 ARG HD2 H 1 3.022 0.030 . 2 . . . . 23 ARG HD2 . 11379 1 175 . 1 1 23 23 ARG HG2 H 1 1.560 0.030 . 2 . . . . 23 ARG HG2 . 11379 1 176 . 1 1 23 23 ARG HG3 H 1 1.452 0.030 . 2 . . . . 23 ARG HG3 . 11379 1 177 . 1 1 23 23 ARG C C 13 175.366 0.300 . 1 . . . . 23 ARG C . 11379 1 178 . 1 1 23 23 ARG CA C 13 58.144 0.300 . 1 . . . . 23 ARG CA . 11379 1 179 . 1 1 23 23 ARG CB C 13 30.999 0.300 . 1 . . . . 23 ARG CB . 11379 1 180 . 1 1 23 23 ARG CD C 13 43.440 0.300 . 1 . . . . 23 ARG CD . 11379 1 181 . 1 1 23 23 ARG CG C 13 27.011 0.300 . 1 . . . . 23 ARG CG . 11379 1 182 . 1 1 24 24 ASP H H 1 7.468 0.030 . 1 . . . . 24 ASP H . 11379 1 183 . 1 1 24 24 ASP HA H 1 4.780 0.030 . 1 . . . . 24 ASP HA . 11379 1 184 . 1 1 24 24 ASP HB2 H 1 3.109 0.030 . 1 . . . . 24 ASP HB2 . 11379 1 185 . 1 1 24 24 ASP HB3 H 1 3.109 0.030 . 1 . . . . 24 ASP HB3 . 11379 1 186 . 1 1 24 24 ASP C C 13 176.118 0.300 . 1 . . . . 24 ASP C . 11379 1 187 . 1 1 24 24 ASP CA C 13 52.855 0.300 . 1 . . . . 24 ASP CA . 11379 1 188 . 1 1 24 24 ASP CB C 13 42.947 0.300 . 1 . . . . 24 ASP CB . 11379 1 189 . 1 1 24 24 ASP N N 15 110.500 0.300 . 1 . . . . 24 ASP N . 11379 1 190 . 1 1 25 25 VAL H H 1 8.615 0.030 . 1 . . . . 25 VAL H . 11379 1 191 . 1 1 25 25 VAL HA H 1 3.770 0.030 . 1 . . . . 25 VAL HA . 11379 1 192 . 1 1 25 25 VAL HB H 1 2.055 0.030 . 1 . . . . 25 VAL HB . 11379 1 193 . 1 1 25 25 VAL HG11 H 1 0.969 0.030 . 1 . . . . 25 VAL HG1 . 11379 1 194 . 1 1 25 25 VAL HG12 H 1 0.969 0.030 . 1 . . . . 25 VAL HG1 . 11379 1 195 . 1 1 25 25 VAL HG13 H 1 0.969 0.030 . 1 . . . . 25 VAL HG1 . 11379 1 196 . 1 1 25 25 VAL HG21 H 1 0.833 0.030 . 1 . . . . 25 VAL HG2 . 11379 1 197 . 1 1 25 25 VAL HG22 H 1 0.833 0.030 . 1 . . . . 25 VAL HG2 . 11379 1 198 . 1 1 25 25 VAL HG23 H 1 0.833 0.030 . 1 . . . . 25 VAL HG2 . 11379 1 199 . 1 1 25 25 VAL C C 13 176.072 0.300 . 1 . . . . 25 VAL C . 11379 1 200 . 1 1 25 25 VAL CA C 13 65.329 0.300 . 1 . . . . 25 VAL CA . 11379 1 201 . 1 1 25 25 VAL CB C 13 31.946 0.300 . 1 . . . . 25 VAL CB . 11379 1 202 . 1 1 25 25 VAL CG1 C 13 21.790 0.300 . 2 . . . . 25 VAL CG1 . 11379 1 203 . 1 1 25 25 VAL CG2 C 13 20.609 0.300 . 2 . . . . 25 VAL CG2 . 11379 1 204 . 1 1 25 25 VAL N N 15 118.554 0.300 . 1 . . . . 25 VAL N . 11379 1 205 . 1 1 26 26 TYR H H 1 8.023 0.030 . 1 . . . . 26 TYR H . 11379 1 206 . 1 1 26 26 TYR HA H 1 4.184 0.030 . 1 . . . . 26 TYR HA . 11379 1 207 . 1 1 26 26 TYR HB2 H 1 3.103 0.030 . 2 . . . . 26 TYR HB2 . 11379 1 208 . 1 1 26 26 TYR HB3 H 1 3.006 0.030 . 2 . . . . 26 TYR HB3 . 11379 1 209 . 1 1 26 26 TYR HD1 H 1 6.822 0.030 . 1 . . . . 26 TYR HD1 . 11379 1 210 . 1 1 26 26 TYR HD2 H 1 6.822 0.030 . 1 . . . . 26 TYR HD2 . 11379 1 211 . 1 1 26 26 TYR HE1 H 1 6.800 0.030 . 1 . . . . 26 TYR HE1 . 11379 1 212 . 1 1 26 26 TYR HE2 H 1 6.800 0.030 . 1 . . . . 26 TYR HE2 . 11379 1 213 . 1 1 26 26 TYR C C 13 179.097 0.300 . 1 . . . . 26 TYR C . 11379 1 214 . 1 1 26 26 TYR CA C 13 61.354 0.300 . 1 . . . . 26 TYR CA . 11379 1 215 . 1 1 26 26 TYR CB C 13 37.254 0.300 . 1 . . . . 26 TYR CB . 11379 1 216 . 1 1 26 26 TYR CD1 C 13 132.963 0.300 . 1 . . . . 26 TYR CD1 . 11379 1 217 . 1 1 26 26 TYR CD2 C 13 132.963 0.300 . 1 . . . . 26 TYR CD2 . 11379 1 218 . 1 1 26 26 TYR CE1 C 13 118.181 0.300 . 1 . . . . 26 TYR CE1 . 11379 1 219 . 1 1 26 26 TYR CE2 C 13 118.181 0.300 . 1 . . . . 26 TYR CE2 . 11379 1 220 . 1 1 26 26 TYR N N 15 123.016 0.300 . 1 . . . . 26 TYR N . 11379 1 221 . 1 1 27 27 HIS H H 1 8.542 0.030 . 1 . . . . 27 HIS H . 11379 1 222 . 1 1 27 27 HIS HA H 1 4.019 0.030 . 1 . . . . 27 HIS HA . 11379 1 223 . 1 1 27 27 HIS HB2 H 1 3.442 0.030 . 2 . . . . 27 HIS HB2 . 11379 1 224 . 1 1 27 27 HIS HB3 H 1 3.238 0.030 . 2 . . . . 27 HIS HB3 . 11379 1 225 . 1 1 27 27 HIS C C 13 178.705 0.300 . 1 . . . . 27 HIS C . 11379 1 226 . 1 1 27 27 HIS CA C 13 54.790 0.300 . 1 . . . . 27 HIS CA . 11379 1 227 . 1 1 27 27 HIS CB C 13 30.209 0.300 . 1 . . . . 27 HIS CB . 11379 1 228 . 1 1 27 27 HIS N N 15 118.293 0.300 . 1 . . . . 27 HIS N . 11379 1 229 . 1 1 28 28 LEU H H 1 7.947 0.030 . 1 . . . . 28 LEU H . 11379 1 230 . 1 1 28 28 LEU HA H 1 3.175 0.030 . 1 . . . . 28 LEU HA . 11379 1 231 . 1 1 28 28 LEU HB2 H 1 1.960 0.030 . 2 . . . . 28 LEU HB2 . 11379 1 232 . 1 1 28 28 LEU HB3 H 1 1.284 0.030 . 2 . . . . 28 LEU HB3 . 11379 1 233 . 1 1 28 28 LEU HD11 H 1 0.896 0.030 . 1 . . . . 28 LEU HD1 . 11379 1 234 . 1 1 28 28 LEU HD12 H 1 0.896 0.030 . 1 . . . . 28 LEU HD1 . 11379 1 235 . 1 1 28 28 LEU HD13 H 1 0.896 0.030 . 1 . . . . 28 LEU HD1 . 11379 1 236 . 1 1 28 28 LEU HD21 H 1 0.929 0.030 . 1 . . . . 28 LEU HD2 . 11379 1 237 . 1 1 28 28 LEU HD22 H 1 0.929 0.030 . 1 . . . . 28 LEU HD2 . 11379 1 238 . 1 1 28 28 LEU HD23 H 1 0.929 0.030 . 1 . . . . 28 LEU HD2 . 11379 1 239 . 1 1 28 28 LEU HG H 1 1.457 0.030 . 1 . . . . 28 LEU HG . 11379 1 240 . 1 1 28 28 LEU C C 13 177.615 0.300 . 1 . . . . 28 LEU C . 11379 1 241 . 1 1 28 28 LEU CA C 13 58.027 0.300 . 1 . . . . 28 LEU CA . 11379 1 242 . 1 1 28 28 LEU CB C 13 41.028 0.300 . 1 . . . . 28 LEU CB . 11379 1 243 . 1 1 28 28 LEU CD1 C 13 23.071 0.300 . 2 . . . . 28 LEU CD1 . 11379 1 244 . 1 1 28 28 LEU CD2 C 13 26.342 0.300 . 2 . . . . 28 LEU CD2 . 11379 1 245 . 1 1 28 28 LEU CG C 13 27.476 0.300 . 1 . . . . 28 LEU CG . 11379 1 246 . 1 1 28 28 LEU N N 15 122.692 0.300 . 1 . . . . 28 LEU N . 11379 1 247 . 1 1 29 29 ASN H H 1 8.835 0.030 . 1 . . . . 29 ASN H . 11379 1 248 . 1 1 29 29 ASN HA H 1 4.278 0.030 . 1 . . . . 29 ASN HA . 11379 1 249 . 1 1 29 29 ASN HB2 H 1 2.661 0.030 . 2 . . . . 29 ASN HB2 . 11379 1 250 . 1 1 29 29 ASN HB3 H 1 2.863 0.030 . 2 . . . . 29 ASN HB3 . 11379 1 251 . 1 1 29 29 ASN HD21 H 1 7.503 0.030 . 2 . . . . 29 ASN HD21 . 11379 1 252 . 1 1 29 29 ASN HD22 H 1 6.800 0.030 . 2 . . . . 29 ASN HD22 . 11379 1 253 . 1 1 29 29 ASN C C 13 178.567 0.300 . 1 . . . . 29 ASN C . 11379 1 254 . 1 1 29 29 ASN CA C 13 55.983 0.300 . 1 . . . . 29 ASN CA . 11379 1 255 . 1 1 29 29 ASN CB C 13 37.010 0.300 . 1 . . . . 29 ASN CB . 11379 1 256 . 1 1 29 29 ASN N N 15 119.098 0.300 . 1 . . . . 29 ASN N . 11379 1 257 . 1 1 29 29 ASN ND2 N 15 111.953 0.300 . 1 . . . . 29 ASN ND2 . 11379 1 258 . 1 1 30 30 ARG H H 1 7.376 0.030 . 1 . . . . 30 ARG H . 11379 1 259 . 1 1 30 30 ARG HA H 1 3.975 0.030 . 1 . . . . 30 ARG HA . 11379 1 260 . 1 1 30 30 ARG HB2 H 1 1.674 0.030 . 2 . . . . 30 ARG HB2 . 11379 1 261 . 1 1 30 30 ARG HB3 H 1 1.786 0.030 . 2 . . . . 30 ARG HB3 . 11379 1 262 . 1 1 30 30 ARG HD2 H 1 3.006 0.030 . 1 . . . . 30 ARG HD2 . 11379 1 263 . 1 1 30 30 ARG HD3 H 1 3.006 0.030 . 1 . . . . 30 ARG HD3 . 11379 1 264 . 1 1 30 30 ARG HG2 H 1 1.596 0.030 . 2 . . . . 30 ARG HG2 . 11379 1 265 . 1 1 30 30 ARG C C 13 178.928 0.300 . 1 . . . . 30 ARG C . 11379 1 266 . 1 1 30 30 ARG CA C 13 58.812 0.300 . 1 . . . . 30 ARG CA . 11379 1 267 . 1 1 30 30 ARG CB C 13 29.786 0.300 . 1 . . . . 30 ARG CB . 11379 1 268 . 1 1 30 30 ARG CD C 13 43.060 0.300 . 1 . . . . 30 ARG CD . 11379 1 269 . 1 1 30 30 ARG CG C 13 26.913 0.300 . 1 . . . . 30 ARG CG . 11379 1 270 . 1 1 30 30 ARG N N 15 119.093 0.300 . 1 . . . . 30 ARG N . 11379 1 271 . 1 1 31 31 HIS H H 1 7.583 0.030 . 1 . . . . 31 HIS H . 11379 1 272 . 1 1 31 31 HIS HA H 1 4.236 0.030 . 1 . . . . 31 HIS HA . 11379 1 273 . 1 1 31 31 HIS HB2 H 1 2.971 0.030 . 2 . . . . 31 HIS HB2 . 11379 1 274 . 1 1 31 31 HIS HB3 H 1 2.719 0.030 . 2 . . . . 31 HIS HB3 . 11379 1 275 . 1 1 31 31 HIS HD2 H 1 6.694 0.030 . 1 . . . . 31 HIS HD2 . 11379 1 276 . 1 1 31 31 HIS HE1 H 1 7.918 0.030 . 1 . . . . 31 HIS HE1 . 11379 1 277 . 1 1 31 31 HIS C C 13 178.086 0.300 . 1 . . . . 31 HIS C . 11379 1 278 . 1 1 31 31 HIS CA C 13 58.656 0.300 . 1 . . . . 31 HIS CA . 11379 1 279 . 1 1 31 31 HIS CB C 13 27.653 0.300 . 1 . . . . 31 HIS CB . 11379 1 280 . 1 1 31 31 HIS CD2 C 13 127.454 0.300 . 1 . . . . 31 HIS CD2 . 11379 1 281 . 1 1 31 31 HIS CE1 C 13 139.337 0.300 . 1 . . . . 31 HIS CE1 . 11379 1 282 . 1 1 31 31 HIS N N 15 119.739 0.300 . 1 . . . . 31 HIS N . 11379 1 283 . 1 1 32 32 LYS H H 1 8.631 0.030 . 1 . . . . 32 LYS H . 11379 1 284 . 1 1 32 32 LYS HA H 1 3.539 0.030 . 1 . . . . 32 LYS HA . 11379 1 285 . 1 1 32 32 LYS HB2 H 1 1.926 0.030 . 1 . . . . 32 LYS HB2 . 11379 1 286 . 1 1 32 32 LYS HB3 H 1 1.926 0.030 . 1 . . . . 32 LYS HB3 . 11379 1 287 . 1 1 32 32 LYS HD2 H 1 1.823 0.030 . 1 . . . . 32 LYS HD2 . 11379 1 288 . 1 1 32 32 LYS HD3 H 1 1.823 0.030 . 1 . . . . 32 LYS HD3 . 11379 1 289 . 1 1 32 32 LYS HE2 H 1 3.107 0.030 . 2 . . . . 32 LYS HE2 . 11379 1 290 . 1 1 32 32 LYS HE3 H 1 2.965 0.030 . 2 . . . . 32 LYS HE3 . 11379 1 291 . 1 1 32 32 LYS HG2 H 1 1.898 0.030 . 2 . . . . 32 LYS HG2 . 11379 1 292 . 1 1 32 32 LYS HG3 H 1 1.708 0.030 . 2 . . . . 32 LYS HG3 . 11379 1 293 . 1 1 32 32 LYS C C 13 178.249 0.300 . 1 . . . . 32 LYS C . 11379 1 294 . 1 1 32 32 LYS CA C 13 60.535 0.300 . 1 . . . . 32 LYS CA . 11379 1 295 . 1 1 32 32 LYS CB C 13 32.070 0.300 . 1 . . . . 32 LYS CB . 11379 1 296 . 1 1 32 32 LYS CD C 13 29.682 0.300 . 1 . . . . 32 LYS CD . 11379 1 297 . 1 1 32 32 LYS CE C 13 41.821 0.300 . 1 . . . . 32 LYS CE . 11379 1 298 . 1 1 32 32 LYS CG C 13 26.966 0.300 . 1 . . . . 32 LYS CG . 11379 1 299 . 1 1 32 32 LYS N N 15 120.360 0.300 . 1 . . . . 32 LYS N . 11379 1 300 . 1 1 33 33 LEU H H 1 7.059 0.030 . 1 . . . . 33 LEU H . 11379 1 301 . 1 1 33 33 LEU HA H 1 4.092 0.030 . 1 . . . . 33 LEU HA . 11379 1 302 . 1 1 33 33 LEU HB2 H 1 1.738 0.030 . 2 . . . . 33 LEU HB2 . 11379 1 303 . 1 1 33 33 LEU HB3 H 1 1.507 0.030 . 2 . . . . 33 LEU HB3 . 11379 1 304 . 1 1 33 33 LEU HD11 H 1 0.907 0.030 . 1 . . . . 33 LEU HD1 . 11379 1 305 . 1 1 33 33 LEU HD12 H 1 0.907 0.030 . 1 . . . . 33 LEU HD1 . 11379 1 306 . 1 1 33 33 LEU HD13 H 1 0.907 0.030 . 1 . . . . 33 LEU HD1 . 11379 1 307 . 1 1 33 33 LEU HD21 H 1 0.822 0.030 . 1 . . . . 33 LEU HD2 . 11379 1 308 . 1 1 33 33 LEU HD22 H 1 0.822 0.030 . 1 . . . . 33 LEU HD2 . 11379 1 309 . 1 1 33 33 LEU HD23 H 1 0.822 0.030 . 1 . . . . 33 LEU HD2 . 11379 1 310 . 1 1 33 33 LEU HG H 1 1.808 0.030 . 1 . . . . 33 LEU HG . 11379 1 311 . 1 1 33 33 LEU C C 13 179.014 0.300 . 1 . . . . 33 LEU C . 11379 1 312 . 1 1 33 33 LEU CA C 13 57.246 0.300 . 1 . . . . 33 LEU CA . 11379 1 313 . 1 1 33 33 LEU CB C 13 41.273 0.300 . 1 . . . . 33 LEU CB . 11379 1 314 . 1 1 33 33 LEU CD1 C 13 25.109 0.300 . 2 . . . . 33 LEU CD1 . 11379 1 315 . 1 1 33 33 LEU CD2 C 13 22.480 0.300 . 2 . . . . 33 LEU CD2 . 11379 1 316 . 1 1 33 33 LEU CG C 13 26.648 0.300 . 1 . . . . 33 LEU CG . 11379 1 317 . 1 1 33 33 LEU N N 15 118.737 0.300 . 1 . . . . 33 LEU N . 11379 1 318 . 1 1 34 34 SER H H 1 7.876 0.030 . 1 . . . . 34 SER H . 11379 1 319 . 1 1 34 34 SER HA H 1 4.170 0.030 . 1 . . . . 34 SER HA . 11379 1 320 . 1 1 34 34 SER HB2 H 1 3.773 0.030 . 2 . . . . 34 SER HB2 . 11379 1 321 . 1 1 34 34 SER HB3 H 1 3.674 0.030 . 2 . . . . 34 SER HB3 . 11379 1 322 . 1 1 34 34 SER C C 13 174.934 0.300 . 1 . . . . 34 SER C . 11379 1 323 . 1 1 34 34 SER CA C 13 60.494 0.300 . 1 . . . . 34 SER CA . 11379 1 324 . 1 1 34 34 SER CB C 13 63.282 0.300 . 1 . . . . 34 SER CB . 11379 1 325 . 1 1 34 34 SER N N 15 113.903 0.300 . 1 . . . . 34 SER N . 11379 1 326 . 1 1 35 35 HIS H H 1 7.288 0.030 . 1 . . . . 35 HIS H . 11379 1 327 . 1 1 35 35 HIS HA H 1 4.857 0.030 . 1 . . . . 35 HIS HA . 11379 1 328 . 1 1 35 35 HIS HB2 H 1 3.299 0.030 . 2 . . . . 35 HIS HB2 . 11379 1 329 . 1 1 35 35 HIS HB3 H 1 3.095 0.030 . 2 . . . . 35 HIS HB3 . 11379 1 330 . 1 1 35 35 HIS HD2 H 1 6.447 0.030 . 1 . . . . 35 HIS HD2 . 11379 1 331 . 1 1 35 35 HIS HE1 H 1 8.036 0.030 . 1 . . . . 35 HIS HE1 . 11379 1 332 . 1 1 35 35 HIS C C 13 175.071 0.300 . 1 . . . . 35 HIS C . 11379 1 333 . 1 1 35 35 HIS CA C 13 55.286 0.300 . 1 . . . . 35 HIS CA . 11379 1 334 . 1 1 35 35 HIS CB C 13 28.760 0.300 . 1 . . . . 35 HIS CB . 11379 1 335 . 1 1 35 35 HIS CD2 C 13 126.954 0.300 . 1 . . . . 35 HIS CD2 . 11379 1 336 . 1 1 35 35 HIS CE1 C 13 140.299 0.300 . 1 . . . . 35 HIS CE1 . 11379 1 337 . 1 1 35 35 HIS N N 15 119.013 0.300 . 1 . . . . 35 HIS N . 11379 1 338 . 1 1 36 36 SER H H 1 7.834 0.030 . 1 . . . . 36 SER H . 11379 1 339 . 1 1 36 36 SER C C 13 174.898 0.300 . 1 . . . . 36 SER C . 11379 1 340 . 1 1 36 36 SER CA C 13 58.471 0.300 . 1 . . . . 36 SER CA . 11379 1 341 . 1 1 36 36 SER CB C 13 63.145 0.300 . 1 . . . . 36 SER CB . 11379 1 342 . 1 1 36 36 SER N N 15 115.439 0.300 . 1 . . . . 36 SER N . 11379 1 343 . 1 1 38 38 GLU HA H 1 4.243 0.030 . 1 . . . . 38 GLU HA . 11379 1 344 . 1 1 38 38 GLU HB2 H 1 2.251 0.030 . 2 . . . . 38 GLU HB2 . 11379 1 345 . 1 1 38 38 GLU HB3 H 1 2.219 0.030 . 2 . . . . 38 GLU HB3 . 11379 1 346 . 1 1 38 38 GLU CA C 13 56.364 0.300 . 1 . . . . 38 GLU CA . 11379 1 347 . 1 1 38 38 GLU CG C 13 36.230 0.300 . 1 . . . . 38 GLU CG . 11379 1 348 . 1 1 39 39 LYS HA H 1 4.556 0.030 . 1 . . . . 39 LYS HA . 11379 1 349 . 1 1 39 39 LYS HB2 H 1 1.737 0.030 . 2 . . . . 39 LYS HB2 . 11379 1 350 . 1 1 39 39 LYS HB3 H 1 1.674 0.030 . 2 . . . . 39 LYS HB3 . 11379 1 351 . 1 1 39 39 LYS HD2 H 1 1.645 0.030 . 2 . . . . 39 LYS HD2 . 11379 1 352 . 1 1 39 39 LYS HE2 H 1 2.958 0.030 . 2 . . . . 39 LYS HE2 . 11379 1 353 . 1 1 39 39 LYS HG2 H 1 1.405 0.030 . 2 . . . . 39 LYS HG2 . 11379 1 354 . 1 1 39 39 LYS HG3 H 1 1.437 0.030 . 2 . . . . 39 LYS HG3 . 11379 1 355 . 1 1 39 39 LYS CA C 13 54.044 0.300 . 1 . . . . 39 LYS CA . 11379 1 356 . 1 1 39 39 LYS CB C 13 32.471 0.300 . 1 . . . . 39 LYS CB . 11379 1 357 . 1 1 39 39 LYS CD C 13 29.134 0.300 . 1 . . . . 39 LYS CD . 11379 1 358 . 1 1 39 39 LYS CE C 13 42.247 0.300 . 1 . . . . 39 LYS CE . 11379 1 359 . 1 1 39 39 LYS CG C 13 24.484 0.300 . 1 . . . . 39 LYS CG . 11379 1 360 . 1 1 40 40 PRO HA H 1 4.365 0.030 . 1 . . . . 40 PRO HA . 11379 1 361 . 1 1 40 40 PRO HB2 H 1 2.202 0.030 . 2 . . . . 40 PRO HB2 . 11379 1 362 . 1 1 40 40 PRO HB3 H 1 1.787 0.030 . 2 . . . . 40 PRO HB3 . 11379 1 363 . 1 1 40 40 PRO HD2 H 1 3.752 0.030 . 2 . . . . 40 PRO HD2 . 11379 1 364 . 1 1 40 40 PRO HD3 H 1 3.571 0.030 . 2 . . . . 40 PRO HD3 . 11379 1 365 . 1 1 40 40 PRO HG2 H 1 1.941 0.030 . 1 . . . . 40 PRO HG2 . 11379 1 366 . 1 1 40 40 PRO HG3 H 1 1.941 0.030 . 1 . . . . 40 PRO HG3 . 11379 1 367 . 1 1 40 40 PRO C C 13 176.537 0.300 . 1 . . . . 40 PRO C . 11379 1 368 . 1 1 40 40 PRO CA C 13 63.166 0.300 . 1 . . . . 40 PRO CA . 11379 1 369 . 1 1 40 40 PRO CB C 13 31.955 0.300 . 1 . . . . 40 PRO CB . 11379 1 370 . 1 1 40 40 PRO CD C 13 50.527 0.300 . 1 . . . . 40 PRO CD . 11379 1 371 . 1 1 40 40 PRO CG C 13 27.374 0.300 . 1 . . . . 40 PRO CG . 11379 1 372 . 1 1 41 41 TYR H H 1 8.264 0.030 . 1 . . . . 41 TYR H . 11379 1 373 . 1 1 41 41 TYR HA H 1 4.494 0.030 . 1 . . . . 41 TYR HA . 11379 1 374 . 1 1 41 41 TYR HB2 H 1 3.025 0.030 . 2 . . . . 41 TYR HB2 . 11379 1 375 . 1 1 41 41 TYR HB3 H 1 2.965 0.030 . 2 . . . . 41 TYR HB3 . 11379 1 376 . 1 1 41 41 TYR HD1 H 1 7.094 0.030 . 1 . . . . 41 TYR HD1 . 11379 1 377 . 1 1 41 41 TYR HD2 H 1 7.094 0.030 . 1 . . . . 41 TYR HD2 . 11379 1 378 . 1 1 41 41 TYR HE1 H 1 6.690 0.030 . 1 . . . . 41 TYR HE1 . 11379 1 379 . 1 1 41 41 TYR HE2 H 1 6.690 0.030 . 1 . . . . 41 TYR HE2 . 11379 1 380 . 1 1 41 41 TYR C C 13 175.730 0.300 . 1 . . . . 41 TYR C . 11379 1 381 . 1 1 41 41 TYR CA C 13 58.064 0.300 . 1 . . . . 41 TYR CA . 11379 1 382 . 1 1 41 41 TYR CB C 13 38.684 0.300 . 1 . . . . 41 TYR CB . 11379 1 383 . 1 1 41 41 TYR CD1 C 13 133.244 0.300 . 1 . . . . 41 TYR CD1 . 11379 1 384 . 1 1 41 41 TYR CD2 C 13 133.244 0.300 . 1 . . . . 41 TYR CD2 . 11379 1 385 . 1 1 41 41 TYR CE1 C 13 118.186 0.300 . 1 . . . . 41 TYR CE1 . 11379 1 386 . 1 1 41 41 TYR CE2 C 13 118.186 0.300 . 1 . . . . 41 TYR CE2 . 11379 1 387 . 1 1 41 41 TYR N N 15 120.805 0.300 . 1 . . . . 41 TYR N . 11379 1 388 . 1 1 42 42 SER H H 1 8.041 0.030 . 1 . . . . 42 SER H . 11379 1 389 . 1 1 42 42 SER C C 13 173.766 0.300 . 1 . . . . 42 SER C . 11379 1 390 . 1 1 42 42 SER CA C 13 57.567 0.300 . 1 . . . . 42 SER CA . 11379 1 391 . 1 1 42 42 SER CB C 13 63.631 0.300 . 1 . . . . 42 SER CB . 11379 1 392 . 1 1 42 42 SER N N 15 117.899 0.300 . 1 . . . . 42 SER N . 11379 1 393 . 1 1 45 45 PRO HA H 1 4.449 0.030 . 1 . . . . 45 PRO HA . 11379 1 394 . 1 1 45 45 PRO HB2 H 1 1.951 0.030 . 2 . . . . 45 PRO HB2 . 11379 1 395 . 1 1 45 45 PRO HB3 H 1 2.266 0.030 . 2 . . . . 45 PRO HB3 . 11379 1 396 . 1 1 45 45 PRO HD2 H 1 3.601 0.030 . 2 . . . . 45 PRO HD2 . 11379 1 397 . 1 1 45 45 PRO HG2 H 1 1.993 0.030 . 2 . . . . 45 PRO HG2 . 11379 1 398 . 1 1 45 45 PRO C C 13 177.344 0.300 . 1 . . . . 45 PRO C . 11379 1 399 . 1 1 45 45 PRO CA C 13 63.296 0.300 . 1 . . . . 45 PRO CA . 11379 1 400 . 1 1 45 45 PRO CB C 13 32.216 0.300 . 1 . . . . 45 PRO CB . 11379 1 401 . 1 1 45 45 PRO CD C 13 49.801 0.300 . 1 . . . . 45 PRO CD . 11379 1 402 . 1 1 45 45 PRO CG C 13 27.136 0.300 . 1 . . . . 45 PRO CG . 11379 1 403 . 1 1 46 46 SER H H 1 8.503 0.030 . 1 . . . . 46 SER H . 11379 1 404 . 1 1 46 46 SER C C 13 174.489 0.300 . 1 . . . . 46 SER C . 11379 1 405 . 1 1 46 46 SER N N 15 116.486 0.300 . 1 . . . . 46 SER N . 11379 1 stop_ save_