################################### # 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 11309 _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 11309 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11309 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 . . 11309 1 2 $NMRPipe . . 11309 1 3 $NMRview . . 11309 1 4 $KUJIRA . . 11309 1 5 $CYANA . . 11309 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 4.013 0.030 . 1 . . . . 7 GLY HA2 . 11309 1 2 . 1 1 7 7 GLY HA3 H 1 4.013 0.030 . 1 . . . . 7 GLY HA3 . 11309 1 3 . 1 1 7 7 GLY CA C 13 45.630 0.300 . 1 . . . . 7 GLY CA . 11309 1 4 . 1 1 8 8 MET H H 1 8.122 0.030 . 1 . . . . 8 MET H . 11309 1 5 . 1 1 8 8 MET HA H 1 4.620 0.030 . 1 . . . . 8 MET HA . 11309 1 6 . 1 1 8 8 MET HB2 H 1 2.072 0.030 . 2 . . . . 8 MET HB2 . 11309 1 7 . 1 1 8 8 MET HB3 H 1 2.003 0.030 . 2 . . . . 8 MET HB3 . 11309 1 8 . 1 1 8 8 MET HE1 H 1 2.154 0.030 . 1 . . . . 8 MET HE . 11309 1 9 . 1 1 8 8 MET HE2 H 1 2.154 0.030 . 1 . . . . 8 MET HE . 11309 1 10 . 1 1 8 8 MET HE3 H 1 2.154 0.030 . 1 . . . . 8 MET HE . 11309 1 11 . 1 1 8 8 MET HG2 H 1 2.455 0.030 . 2 . . . . 8 MET HG2 . 11309 1 12 . 1 1 8 8 MET HG3 H 1 2.331 0.030 . 2 . . . . 8 MET HG3 . 11309 1 13 . 1 1 8 8 MET C C 13 174.540 0.300 . 1 . . . . 8 MET C . 11309 1 14 . 1 1 8 8 MET CA C 13 54.504 0.300 . 1 . . . . 8 MET CA . 11309 1 15 . 1 1 8 8 MET CB C 13 32.353 0.300 . 1 . . . . 8 MET CB . 11309 1 16 . 1 1 8 8 MET CE C 13 16.452 0.300 . 1 . . . . 8 MET CE . 11309 1 17 . 1 1 8 8 MET CG C 13 31.778 0.300 . 1 . . . . 8 MET CG . 11309 1 18 . 1 1 8 8 MET N N 15 121.058 0.300 . 1 . . . . 8 MET N . 11309 1 19 . 1 1 9 9 VAL H H 1 7.763 0.030 . 1 . . . . 9 VAL H . 11309 1 20 . 1 1 9 9 VAL HA H 1 4.272 0.030 . 1 . . . . 9 VAL HA . 11309 1 21 . 1 1 9 9 VAL HB H 1 1.712 0.030 . 1 . . . . 9 VAL HB . 11309 1 22 . 1 1 9 9 VAL HG11 H 1 0.553 0.030 . 1 . . . . 9 VAL HG1 . 11309 1 23 . 1 1 9 9 VAL HG12 H 1 0.553 0.030 . 1 . . . . 9 VAL HG1 . 11309 1 24 . 1 1 9 9 VAL HG13 H 1 0.553 0.030 . 1 . . . . 9 VAL HG1 . 11309 1 25 . 1 1 9 9 VAL HG21 H 1 0.802 0.030 . 1 . . . . 9 VAL HG2 . 11309 1 26 . 1 1 9 9 VAL HG22 H 1 0.802 0.030 . 1 . . . . 9 VAL HG2 . 11309 1 27 . 1 1 9 9 VAL HG23 H 1 0.802 0.030 . 1 . . . . 9 VAL HG2 . 11309 1 28 . 1 1 9 9 VAL C C 13 174.487 0.300 . 1 . . . . 9 VAL C . 11309 1 29 . 1 1 9 9 VAL CA C 13 61.928 0.300 . 1 . . . . 9 VAL CA . 11309 1 30 . 1 1 9 9 VAL CB C 13 33.691 0.300 . 1 . . . . 9 VAL CB . 11309 1 31 . 1 1 9 9 VAL CG1 C 13 22.541 0.300 . 2 . . . . 9 VAL CG1 . 11309 1 32 . 1 1 9 9 VAL CG2 C 13 21.336 0.300 . 2 . . . . 9 VAL CG2 . 11309 1 33 . 1 1 9 9 VAL N N 15 125.717 0.300 . 1 . . . . 9 VAL N . 11309 1 34 . 1 1 10 10 PHE H H 1 9.230 0.030 . 1 . . . . 10 PHE H . 11309 1 35 . 1 1 10 10 PHE HA H 1 4.942 0.030 . 1 . . . . 10 PHE HA . 11309 1 36 . 1 1 10 10 PHE HB2 H 1 2.783 0.030 . 2 . . . . 10 PHE HB2 . 11309 1 37 . 1 1 10 10 PHE HB3 H 1 2.631 0.030 . 2 . . . . 10 PHE HB3 . 11309 1 38 . 1 1 10 10 PHE HD1 H 1 7.051 0.030 . 1 . . . . 10 PHE HD1 . 11309 1 39 . 1 1 10 10 PHE HD2 H 1 7.051 0.030 . 1 . . . . 10 PHE HD2 . 11309 1 40 . 1 1 10 10 PHE HE1 H 1 7.281 0.030 . 1 . . . . 10 PHE HE1 . 11309 1 41 . 1 1 10 10 PHE HE2 H 1 7.281 0.030 . 1 . . . . 10 PHE HE2 . 11309 1 42 . 1 1 10 10 PHE HZ H 1 7.284 0.030 . 1 . . . . 10 PHE HZ . 11309 1 43 . 1 1 10 10 PHE C C 13 174.097 0.300 . 1 . . . . 10 PHE C . 11309 1 44 . 1 1 10 10 PHE CA C 13 56.278 0.300 . 1 . . . . 10 PHE CA . 11309 1 45 . 1 1 10 10 PHE CB C 13 43.803 0.300 . 1 . . . . 10 PHE CB . 11309 1 46 . 1 1 10 10 PHE CD1 C 13 131.766 0.300 . 1 . . . . 10 PHE CD1 . 11309 1 47 . 1 1 10 10 PHE CD2 C 13 131.766 0.300 . 1 . . . . 10 PHE CD2 . 11309 1 48 . 1 1 10 10 PHE CE1 C 13 131.624 0.300 . 1 . . . . 10 PHE CE1 . 11309 1 49 . 1 1 10 10 PHE CE2 C 13 131.624 0.300 . 1 . . . . 10 PHE CE2 . 11309 1 50 . 1 1 10 10 PHE CZ C 13 129.593 0.300 . 1 . . . . 10 PHE CZ . 11309 1 51 . 1 1 10 10 PHE N N 15 126.428 0.300 . 1 . . . . 10 PHE N . 11309 1 52 . 1 1 11 11 PHE H H 1 8.991 0.030 . 1 . . . . 11 PHE H . 11309 1 53 . 1 1 11 11 PHE HA H 1 5.533 0.030 . 1 . . . . 11 PHE HA . 11309 1 54 . 1 1 11 11 PHE HB2 H 1 2.823 0.030 . 2 . . . . 11 PHE HB2 . 11309 1 55 . 1 1 11 11 PHE HB3 H 1 2.416 0.030 . 2 . . . . 11 PHE HB3 . 11309 1 56 . 1 1 11 11 PHE HD1 H 1 6.840 0.030 . 1 . . . . 11 PHE HD1 . 11309 1 57 . 1 1 11 11 PHE HD2 H 1 6.840 0.030 . 1 . . . . 11 PHE HD2 . 11309 1 58 . 1 1 11 11 PHE HE1 H 1 6.908 0.030 . 1 . . . . 11 PHE HE1 . 11309 1 59 . 1 1 11 11 PHE HE2 H 1 6.908 0.030 . 1 . . . . 11 PHE HE2 . 11309 1 60 . 1 1 11 11 PHE HZ H 1 7.415 0.030 . 1 . . . . 11 PHE HZ . 11309 1 61 . 1 1 11 11 PHE C C 13 175.640 0.300 . 1 . . . . 11 PHE C . 11309 1 62 . 1 1 11 11 PHE CA C 13 55.215 0.300 . 1 . . . . 11 PHE CA . 11309 1 63 . 1 1 11 11 PHE CB C 13 45.402 0.300 . 1 . . . . 11 PHE CB . 11309 1 64 . 1 1 11 11 PHE CD1 C 13 132.135 0.300 . 1 . . . . 11 PHE CD1 . 11309 1 65 . 1 1 11 11 PHE CD2 C 13 132.135 0.300 . 1 . . . . 11 PHE CD2 . 11309 1 66 . 1 1 11 11 PHE CE1 C 13 130.080 0.300 . 1 . . . . 11 PHE CE1 . 11309 1 67 . 1 1 11 11 PHE CE2 C 13 130.080 0.300 . 1 . . . . 11 PHE CE2 . 11309 1 68 . 1 1 11 11 PHE CZ C 13 130.335 0.300 . 1 . . . . 11 PHE CZ . 11309 1 69 . 1 1 11 11 PHE N N 15 116.487 0.300 . 1 . . . . 11 PHE N . 11309 1 70 . 1 1 12 12 THR H H 1 9.732 0.030 . 1 . . . . 12 THR H . 11309 1 71 . 1 1 12 12 THR HA H 1 4.992 0.030 . 1 . . . . 12 THR HA . 11309 1 72 . 1 1 12 12 THR HB H 1 3.819 0.030 . 1 . . . . 12 THR HB . 11309 1 73 . 1 1 12 12 THR HG21 H 1 1.018 0.030 . 1 . . . . 12 THR HG2 . 11309 1 74 . 1 1 12 12 THR HG22 H 1 1.018 0.030 . 1 . . . . 12 THR HG2 . 11309 1 75 . 1 1 12 12 THR HG23 H 1 1.018 0.030 . 1 . . . . 12 THR HG2 . 11309 1 76 . 1 1 12 12 THR C C 13 175.031 0.300 . 1 . . . . 12 THR C . 11309 1 77 . 1 1 12 12 THR CA C 13 61.270 0.300 . 1 . . . . 12 THR CA . 11309 1 78 . 1 1 12 12 THR CB C 13 70.255 0.300 . 1 . . . . 12 THR CB . 11309 1 79 . 1 1 12 12 THR CG2 C 13 22.215 0.300 . 1 . . . . 12 THR CG2 . 11309 1 80 . 1 1 12 12 THR N N 15 116.554 0.300 . 1 . . . . 12 THR N . 11309 1 81 . 1 1 13 13 CYS H H 1 8.455 0.030 . 1 . . . . 13 CYS H . 11309 1 82 . 1 1 13 13 CYS HA H 1 4.476 0.030 . 1 . . . . 13 CYS HA . 11309 1 83 . 1 1 13 13 CYS HB2 H 1 3.213 0.030 . 2 . . . . 13 CYS HB2 . 11309 1 84 . 1 1 13 13 CYS HB3 H 1 2.438 0.030 . 2 . . . . 13 CYS HB3 . 11309 1 85 . 1 1 13 13 CYS C C 13 177.223 0.300 . 1 . . . . 13 CYS C . 11309 1 86 . 1 1 13 13 CYS CA C 13 59.377 0.300 . 1 . . . . 13 CYS CA . 11309 1 87 . 1 1 13 13 CYS CB C 13 30.729 0.300 . 1 . . . . 13 CYS CB . 11309 1 88 . 1 1 13 13 CYS N N 15 128.893 0.300 . 1 . . . . 13 CYS N . 11309 1 89 . 1 1 14 14 ASN H H 1 8.512 0.030 . 1 . . . . 14 ASN H . 11309 1 90 . 1 1 14 14 ASN HA H 1 4.406 0.030 . 1 . . . . 14 ASN HA . 11309 1 91 . 1 1 14 14 ASN HB2 H 1 2.810 0.030 . 1 . . . . 14 ASN HB2 . 11309 1 92 . 1 1 14 14 ASN HB3 H 1 2.810 0.030 . 1 . . . . 14 ASN HB3 . 11309 1 93 . 1 1 14 14 ASN HD21 H 1 7.366 0.030 . 2 . . . . 14 ASN HD21 . 11309 1 94 . 1 1 14 14 ASN HD22 H 1 7.319 0.030 . 2 . . . . 14 ASN HD22 . 11309 1 95 . 1 1 14 14 ASN C C 13 174.616 0.300 . 1 . . . . 14 ASN C . 11309 1 96 . 1 1 14 14 ASN CA C 13 56.526 0.300 . 1 . . . . 14 ASN CA . 11309 1 97 . 1 1 14 14 ASN CB C 13 38.436 0.300 . 1 . . . . 14 ASN CB . 11309 1 98 . 1 1 14 14 ASN N N 15 128.852 0.300 . 1 . . . . 14 ASN N . 11309 1 99 . 1 1 14 14 ASN ND2 N 15 115.546 0.300 . 1 . . . . 14 ASN ND2 . 11309 1 100 . 1 1 15 15 ALA H H 1 9.120 0.030 . 1 . . . . 15 ALA H . 11309 1 101 . 1 1 15 15 ALA HA H 1 4.382 0.030 . 1 . . . . 15 ALA HA . 11309 1 102 . 1 1 15 15 ALA HB1 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 11309 1 103 . 1 1 15 15 ALA HB2 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 11309 1 104 . 1 1 15 15 ALA HB3 H 1 1.321 0.030 . 1 . . . . 15 ALA HB . 11309 1 105 . 1 1 15 15 ALA C C 13 178.447 0.300 . 1 . . . . 15 ALA C . 11309 1 106 . 1 1 15 15 ALA CA C 13 54.316 0.300 . 1 . . . . 15 ALA CA . 11309 1 107 . 1 1 15 15 ALA CB C 13 20.065 0.300 . 1 . . . . 15 ALA CB . 11309 1 108 . 1 1 15 15 ALA N N 15 125.971 0.300 . 1 . . . . 15 ALA N . 11309 1 109 . 1 1 16 16 CYS H H 1 8.168 0.030 . 1 . . . . 16 CYS H . 11309 1 110 . 1 1 16 16 CYS HA H 1 5.036 0.030 . 1 . . . . 16 CYS HA . 11309 1 111 . 1 1 16 16 CYS HB2 H 1 3.364 0.030 . 2 . . . . 16 CYS HB2 . 11309 1 112 . 1 1 16 16 CYS HB3 H 1 2.748 0.030 . 2 . . . . 16 CYS HB3 . 11309 1 113 . 1 1 16 16 CYS C C 13 177.039 0.300 . 1 . . . . 16 CYS C . 11309 1 114 . 1 1 16 16 CYS CA C 13 58.133 0.300 . 1 . . . . 16 CYS CA . 11309 1 115 . 1 1 16 16 CYS CB C 13 32.498 0.300 . 1 . . . . 16 CYS CB . 11309 1 116 . 1 1 16 16 CYS N N 15 116.067 0.300 . 1 . . . . 16 CYS N . 11309 1 117 . 1 1 17 17 GLY H H 1 8.009 0.030 . 1 . . . . 17 GLY H . 11309 1 118 . 1 1 17 17 GLY HA2 H 1 4.190 0.030 . 2 . . . . 17 GLY HA2 . 11309 1 119 . 1 1 17 17 GLY HA3 H 1 3.848 0.030 . 2 . . . . 17 GLY HA3 . 11309 1 120 . 1 1 17 17 GLY C C 13 173.886 0.300 . 1 . . . . 17 GLY C . 11309 1 121 . 1 1 17 17 GLY CA C 13 46.273 0.300 . 1 . . . . 17 GLY CA . 11309 1 122 . 1 1 17 17 GLY N N 15 113.646 0.300 . 1 . . . . 17 GLY N . 11309 1 123 . 1 1 18 18 GLU H H 1 8.599 0.030 . 1 . . . . 18 GLU H . 11309 1 124 . 1 1 18 18 GLU HA H 1 4.229 0.030 . 1 . . . . 18 GLU HA . 11309 1 125 . 1 1 18 18 GLU HB2 H 1 2.062 0.030 . 2 . . . . 18 GLU HB2 . 11309 1 126 . 1 1 18 18 GLU HB3 H 1 1.813 0.030 . 2 . . . . 18 GLU HB3 . 11309 1 127 . 1 1 18 18 GLU HG2 H 1 2.559 0.030 . 2 . . . . 18 GLU HG2 . 11309 1 128 . 1 1 18 18 GLU HG3 H 1 2.289 0.030 . 2 . . . . 18 GLU HG3 . 11309 1 129 . 1 1 18 18 GLU C C 13 175.532 0.300 . 1 . . . . 18 GLU C . 11309 1 130 . 1 1 18 18 GLU CA C 13 57.394 0.300 . 1 . . . . 18 GLU CA . 11309 1 131 . 1 1 18 18 GLU CB C 13 31.052 0.300 . 1 . . . . 18 GLU CB . 11309 1 132 . 1 1 18 18 GLU CG C 13 37.076 0.300 . 1 . . . . 18 GLU CG . 11309 1 133 . 1 1 18 18 GLU N N 15 123.286 0.300 . 1 . . . . 18 GLU N . 11309 1 134 . 1 1 19 19 SER H H 1 8.411 0.030 . 1 . . . . 19 SER H . 11309 1 135 . 1 1 19 19 SER HA H 1 5.195 0.030 . 1 . . . . 19 SER HA . 11309 1 136 . 1 1 19 19 SER HB2 H 1 3.761 0.030 . 2 . . . . 19 SER HB2 . 11309 1 137 . 1 1 19 19 SER HB3 H 1 3.686 0.030 . 2 . . . . 19 SER HB3 . 11309 1 138 . 1 1 19 19 SER C C 13 174.814 0.300 . 1 . . . . 19 SER C . 11309 1 139 . 1 1 19 19 SER CA C 13 57.238 0.300 . 1 . . . . 19 SER CA . 11309 1 140 . 1 1 19 19 SER CB C 13 63.648 0.300 . 1 . . . . 19 SER CB . 11309 1 141 . 1 1 19 19 SER N N 15 116.497 0.300 . 1 . . . . 19 SER N . 11309 1 142 . 1 1 20 20 VAL H H 1 9.805 0.030 . 1 . . . . 20 VAL H . 11309 1 143 . 1 1 20 20 VAL HA H 1 4.373 0.030 . 1 . . . . 20 VAL HA . 11309 1 144 . 1 1 20 20 VAL HB H 1 1.759 0.030 . 1 . . . . 20 VAL HB . 11309 1 145 . 1 1 20 20 VAL HG11 H 1 0.699 0.030 . 1 . . . . 20 VAL HG1 . 11309 1 146 . 1 1 20 20 VAL HG12 H 1 0.699 0.030 . 1 . . . . 20 VAL HG1 . 11309 1 147 . 1 1 20 20 VAL HG13 H 1 0.699 0.030 . 1 . . . . 20 VAL HG1 . 11309 1 148 . 1 1 20 20 VAL HG21 H 1 0.297 0.030 . 1 . . . . 20 VAL HG2 . 11309 1 149 . 1 1 20 20 VAL HG22 H 1 0.297 0.030 . 1 . . . . 20 VAL HG2 . 11309 1 150 . 1 1 20 20 VAL HG23 H 1 0.297 0.030 . 1 . . . . 20 VAL HG2 . 11309 1 151 . 1 1 20 20 VAL C C 13 175.324 0.300 . 1 . . . . 20 VAL C . 11309 1 152 . 1 1 20 20 VAL CA C 13 60.401 0.300 . 1 . . . . 20 VAL CA . 11309 1 153 . 1 1 20 20 VAL CB C 13 34.918 0.300 . 1 . . . . 20 VAL CB . 11309 1 154 . 1 1 20 20 VAL CG1 C 13 21.989 0.300 . 2 . . . . 20 VAL CG1 . 11309 1 155 . 1 1 20 20 VAL CG2 C 13 19.417 0.300 . 2 . . . . 20 VAL CG2 . 11309 1 156 . 1 1 20 20 VAL N N 15 126.198 0.300 . 1 . . . . 20 VAL N . 11309 1 157 . 1 1 21 21 LYS H H 1 8.654 0.030 . 1 . . . . 21 LYS H . 11309 1 158 . 1 1 21 21 LYS HA H 1 3.904 0.030 . 1 . . . . 21 LYS HA . 11309 1 159 . 1 1 21 21 LYS HB2 H 1 1.691 0.030 . 2 . . . . 21 LYS HB2 . 11309 1 160 . 1 1 21 21 LYS HB3 H 1 1.428 0.030 . 2 . . . . 21 LYS HB3 . 11309 1 161 . 1 1 21 21 LYS HD2 H 1 1.603 0.030 . 1 . . . . 21 LYS HD2 . 11309 1 162 . 1 1 21 21 LYS HD3 H 1 1.603 0.030 . 1 . . . . 21 LYS HD3 . 11309 1 163 . 1 1 21 21 LYS HE2 H 1 3.003 0.030 . 1 . . . . 21 LYS HE2 . 11309 1 164 . 1 1 21 21 LYS HE3 H 1 3.003 0.030 . 1 . . . . 21 LYS HE3 . 11309 1 165 . 1 1 21 21 LYS HG2 H 1 1.170 0.030 . 2 . . . . 21 LYS HG2 . 11309 1 166 . 1 1 21 21 LYS HG3 H 1 1.081 0.030 . 2 . . . . 21 LYS HG3 . 11309 1 167 . 1 1 21 21 LYS C C 13 179.022 0.300 . 1 . . . . 21 LYS C . 11309 1 168 . 1 1 21 21 LYS CA C 13 56.737 0.300 . 1 . . . . 21 LYS CA . 11309 1 169 . 1 1 21 21 LYS CB C 13 34.011 0.300 . 1 . . . . 21 LYS CB . 11309 1 170 . 1 1 21 21 LYS CD C 13 30.043 0.300 . 1 . . . . 21 LYS CD . 11309 1 171 . 1 1 21 21 LYS CE C 13 42.110 0.300 . 1 . . . . 21 LYS CE . 11309 1 172 . 1 1 21 21 LYS CG C 13 25.980 0.300 . 1 . . . . 21 LYS CG . 11309 1 173 . 1 1 21 21 LYS N N 15 126.217 0.300 . 1 . . . . 21 LYS N . 11309 1 174 . 1 1 22 22 LYS H H 1 8.685 0.030 . 1 . . . . 22 LYS H . 11309 1 175 . 1 1 22 22 LYS HA H 1 4.069 0.030 . 1 . . . . 22 LYS HA . 11309 1 176 . 1 1 22 22 LYS HB2 H 1 2.171 0.030 . 2 . . . . 22 LYS HB2 . 11309 1 177 . 1 1 22 22 LYS HB3 H 1 2.023 0.030 . 2 . . . . 22 LYS HB3 . 11309 1 178 . 1 1 22 22 LYS HD2 H 1 1.910 0.030 . 1 . . . . 22 LYS HD2 . 11309 1 179 . 1 1 22 22 LYS HD3 H 1 1.910 0.030 . 1 . . . . 22 LYS HD3 . 11309 1 180 . 1 1 22 22 LYS HE2 H 1 3.157 0.030 . 2 . . . . 22 LYS HE2 . 11309 1 181 . 1 1 22 22 LYS HE3 H 1 3.084 0.030 . 2 . . . . 22 LYS HE3 . 11309 1 182 . 1 1 22 22 LYS HG2 H 1 1.757 0.030 . 2 . . . . 22 LYS HG2 . 11309 1 183 . 1 1 22 22 LYS HG3 H 1 1.570 0.030 . 2 . . . . 22 LYS HG3 . 11309 1 184 . 1 1 22 22 LYS C C 13 178.390 0.300 . 1 . . . . 22 LYS C . 11309 1 185 . 1 1 22 22 LYS CA C 13 61.269 0.300 . 1 . . . . 22 LYS CA . 11309 1 186 . 1 1 22 22 LYS CB C 13 33.010 0.300 . 1 . . . . 22 LYS CB . 11309 1 187 . 1 1 22 22 LYS CD C 13 29.796 0.300 . 1 . . . . 22 LYS CD . 11309 1 188 . 1 1 22 22 LYS CE C 13 42.977 0.300 . 1 . . . . 22 LYS CE . 11309 1 189 . 1 1 22 22 LYS CG C 13 25.555 0.300 . 1 . . . . 22 LYS CG . 11309 1 190 . 1 1 22 22 LYS N N 15 124.049 0.300 . 1 . . . . 22 LYS N . 11309 1 191 . 1 1 23 23 ILE H H 1 7.390 0.030 . 1 . . . . 23 ILE H . 11309 1 192 . 1 1 23 23 ILE HA H 1 4.370 0.030 . 1 . . . . 23 ILE HA . 11309 1 193 . 1 1 23 23 ILE HB H 1 2.177 0.030 . 1 . . . . 23 ILE HB . 11309 1 194 . 1 1 23 23 ILE HD11 H 1 0.999 0.030 . 1 . . . . 23 ILE HD1 . 11309 1 195 . 1 1 23 23 ILE HD12 H 1 0.999 0.030 . 1 . . . . 23 ILE HD1 . 11309 1 196 . 1 1 23 23 ILE HD13 H 1 0.999 0.030 . 1 . . . . 23 ILE HD1 . 11309 1 197 . 1 1 23 23 ILE HG12 H 1 1.442 0.030 . 2 . . . . 23 ILE HG12 . 11309 1 198 . 1 1 23 23 ILE HG13 H 1 1.301 0.030 . 2 . . . . 23 ILE HG13 . 11309 1 199 . 1 1 23 23 ILE HG21 H 1 1.062 0.030 . 1 . . . . 23 ILE HG2 . 11309 1 200 . 1 1 23 23 ILE HG22 H 1 1.062 0.030 . 1 . . . . 23 ILE HG2 . 11309 1 201 . 1 1 23 23 ILE HG23 H 1 1.062 0.030 . 1 . . . . 23 ILE HG2 . 11309 1 202 . 1 1 23 23 ILE C C 13 175.810 0.300 . 1 . . . . 23 ILE C . 11309 1 203 . 1 1 23 23 ILE CA C 13 62.948 0.300 . 1 . . . . 23 ILE CA . 11309 1 204 . 1 1 23 23 ILE CB C 13 38.343 0.300 . 1 . . . . 23 ILE CB . 11309 1 205 . 1 1 23 23 ILE CD1 C 13 14.369 0.300 . 1 . . . . 23 ILE CD1 . 11309 1 206 . 1 1 23 23 ILE CG1 C 13 27.782 0.300 . 1 . . . . 23 ILE CG1 . 11309 1 207 . 1 1 23 23 ILE CG2 C 13 18.096 0.300 . 1 . . . . 23 ILE CG2 . 11309 1 208 . 1 1 23 23 ILE N N 15 110.101 0.300 . 1 . . . . 23 ILE N . 11309 1 209 . 1 1 24 24 GLN H H 1 8.093 0.030 . 1 . . . . 24 GLN H . 11309 1 210 . 1 1 24 24 GLN HA H 1 4.724 0.030 . 1 . . . . 24 GLN HA . 11309 1 211 . 1 1 24 24 GLN HB2 H 1 2.468 0.030 . 2 . . . . 24 GLN HB2 . 11309 1 212 . 1 1 24 24 GLN HB3 H 1 2.108 0.030 . 2 . . . . 24 GLN HB3 . 11309 1 213 . 1 1 24 24 GLN HG2 H 1 2.469 0.030 . 2 . . . . 24 GLN HG2 . 11309 1 214 . 1 1 24 24 GLN HG3 H 1 2.393 0.030 . 2 . . . . 24 GLN HG3 . 11309 1 215 . 1 1 24 24 GLN C C 13 176.566 0.300 . 1 . . . . 24 GLN C . 11309 1 216 . 1 1 24 24 GLN CA C 13 55.183 0.300 . 1 . . . . 24 GLN CA . 11309 1 217 . 1 1 24 24 GLN CB C 13 30.359 0.300 . 1 . . . . 24 GLN CB . 11309 1 218 . 1 1 24 24 GLN CG C 13 34.585 0.300 . 1 . . . . 24 GLN CG . 11309 1 219 . 1 1 24 24 GLN N N 15 119.237 0.300 . 1 . . . . 24 GLN N . 11309 1 220 . 1 1 25 25 VAL H H 1 7.484 0.030 . 1 . . . . 25 VAL H . 11309 1 221 . 1 1 25 25 VAL HA H 1 3.229 0.030 . 1 . . . . 25 VAL HA . 11309 1 222 . 1 1 25 25 VAL HB H 1 1.689 0.030 . 1 . . . . 25 VAL HB . 11309 1 223 . 1 1 25 25 VAL HG11 H 1 -0.087 0.030 . 1 . . . . 25 VAL HG1 . 11309 1 224 . 1 1 25 25 VAL HG12 H 1 -0.087 0.030 . 1 . . . . 25 VAL HG1 . 11309 1 225 . 1 1 25 25 VAL HG13 H 1 -0.087 0.030 . 1 . . . . 25 VAL HG1 . 11309 1 226 . 1 1 25 25 VAL HG21 H 1 0.594 0.030 . 1 . . . . 25 VAL HG2 . 11309 1 227 . 1 1 25 25 VAL HG22 H 1 0.594 0.030 . 1 . . . . 25 VAL HG2 . 11309 1 228 . 1 1 25 25 VAL HG23 H 1 0.594 0.030 . 1 . . . . 25 VAL HG2 . 11309 1 229 . 1 1 25 25 VAL C C 13 176.583 0.300 . 1 . . . . 25 VAL C . 11309 1 230 . 1 1 25 25 VAL CA C 13 68.029 0.300 . 1 . . . . 25 VAL CA . 11309 1 231 . 1 1 25 25 VAL CB C 13 31.527 0.300 . 1 . . . . 25 VAL CB . 11309 1 232 . 1 1 25 25 VAL CG1 C 13 22.027 0.300 . 2 . . . . 25 VAL CG1 . 11309 1 233 . 1 1 25 25 VAL CG2 C 13 24.040 0.300 . 2 . . . . 25 VAL CG2 . 11309 1 234 . 1 1 25 25 VAL N N 15 122.618 0.300 . 1 . . . . 25 VAL N . 11309 1 235 . 1 1 26 26 GLU H H 1 8.572 0.030 . 1 . . . . 26 GLU H . 11309 1 236 . 1 1 26 26 GLU HA H 1 3.927 0.030 . 1 . . . . 26 GLU HA . 11309 1 237 . 1 1 26 26 GLU HB2 H 1 2.066 0.030 . 1 . . . . 26 GLU HB2 . 11309 1 238 . 1 1 26 26 GLU HB3 H 1 2.066 0.030 . 1 . . . . 26 GLU HB3 . 11309 1 239 . 1 1 26 26 GLU HG2 H 1 2.382 0.030 . 2 . . . . 26 GLU HG2 . 11309 1 240 . 1 1 26 26 GLU HG3 H 1 2.297 0.030 . 2 . . . . 26 GLU HG3 . 11309 1 241 . 1 1 26 26 GLU C C 13 179.520 0.300 . 1 . . . . 26 GLU C . 11309 1 242 . 1 1 26 26 GLU CA C 13 60.448 0.300 . 1 . . . . 26 GLU CA . 11309 1 243 . 1 1 26 26 GLU CB C 13 28.960 0.300 . 1 . . . . 26 GLU CB . 11309 1 244 . 1 1 26 26 GLU CG C 13 36.799 0.300 . 1 . . . . 26 GLU CG . 11309 1 245 . 1 1 26 26 GLU N N 15 118.246 0.300 . 1 . . . . 26 GLU N . 11309 1 246 . 1 1 27 27 LYS H H 1 7.904 0.030 . 1 . . . . 27 LYS H . 11309 1 247 . 1 1 27 27 LYS HA H 1 4.096 0.030 . 1 . . . . 27 LYS HA . 11309 1 248 . 1 1 27 27 LYS HB2 H 1 1.905 0.030 . 1 . . . . 27 LYS HB2 . 11309 1 249 . 1 1 27 27 LYS HB3 H 1 1.905 0.030 . 1 . . . . 27 LYS HB3 . 11309 1 250 . 1 1 27 27 LYS HD2 H 1 1.734 0.030 . 1 . . . . 27 LYS HD2 . 11309 1 251 . 1 1 27 27 LYS HD3 H 1 1.734 0.030 . 1 . . . . 27 LYS HD3 . 11309 1 252 . 1 1 27 27 LYS HE2 H 1 3.011 0.030 . 1 . . . . 27 LYS HE2 . 11309 1 253 . 1 1 27 27 LYS HE3 H 1 3.011 0.030 . 1 . . . . 27 LYS HE3 . 11309 1 254 . 1 1 27 27 LYS HG2 H 1 1.496 0.030 . 1 . . . . 27 LYS HG2 . 11309 1 255 . 1 1 27 27 LYS HG3 H 1 1.496 0.030 . 1 . . . . 27 LYS HG3 . 11309 1 256 . 1 1 27 27 LYS C C 13 179.085 0.300 . 1 . . . . 27 LYS C . 11309 1 257 . 1 1 27 27 LYS CA C 13 58.522 0.300 . 1 . . . . 27 LYS CA . 11309 1 258 . 1 1 27 27 LYS CB C 13 32.046 0.300 . 1 . . . . 27 LYS CB . 11309 1 259 . 1 1 27 27 LYS CD C 13 29.049 0.300 . 1 . . . . 27 LYS CD . 11309 1 260 . 1 1 27 27 LYS CE C 13 42.235 0.300 . 1 . . . . 27 LYS CE . 11309 1 261 . 1 1 27 27 LYS CG C 13 25.018 0.300 . 1 . . . . 27 LYS CG . 11309 1 262 . 1 1 27 27 LYS N N 15 119.257 0.300 . 1 . . . . 27 LYS N . 11309 1 263 . 1 1 28 28 HIS H H 1 8.443 0.030 . 1 . . . . 28 HIS H . 11309 1 264 . 1 1 28 28 HIS HA H 1 4.113 0.030 . 1 . . . . 28 HIS HA . 11309 1 265 . 1 1 28 28 HIS HB2 H 1 3.377 0.030 . 2 . . . . 28 HIS HB2 . 11309 1 266 . 1 1 28 28 HIS HB3 H 1 3.180 0.030 . 2 . . . . 28 HIS HB3 . 11309 1 267 . 1 1 28 28 HIS HD2 H 1 6.884 0.030 . 1 . . . . 28 HIS HD2 . 11309 1 268 . 1 1 28 28 HIS HE1 H 1 7.989 0.030 . 1 . . . . 28 HIS HE1 . 11309 1 269 . 1 1 28 28 HIS C C 13 177.813 0.300 . 1 . . . . 28 HIS C . 11309 1 270 . 1 1 28 28 HIS CA C 13 60.827 0.300 . 1 . . . . 28 HIS CA . 11309 1 271 . 1 1 28 28 HIS CB C 13 29.289 0.300 . 1 . . . . 28 HIS CB . 11309 1 272 . 1 1 28 28 HIS CD2 C 13 126.718 0.300 . 1 . . . . 28 HIS CD2 . 11309 1 273 . 1 1 28 28 HIS CE1 C 13 140.852 0.300 . 1 . . . . 28 HIS CE1 . 11309 1 274 . 1 1 28 28 HIS N N 15 121.006 0.300 . 1 . . . . 28 HIS N . 11309 1 275 . 1 1 29 29 VAL H H 1 8.868 0.030 . 1 . . . . 29 VAL H . 11309 1 276 . 1 1 29 29 VAL HA H 1 3.699 0.030 . 1 . . . . 29 VAL HA . 11309 1 277 . 1 1 29 29 VAL HB H 1 2.206 0.030 . 1 . . . . 29 VAL HB . 11309 1 278 . 1 1 29 29 VAL HG11 H 1 1.027 0.030 . 1 . . . . 29 VAL HG1 . 11309 1 279 . 1 1 29 29 VAL HG12 H 1 1.027 0.030 . 1 . . . . 29 VAL HG1 . 11309 1 280 . 1 1 29 29 VAL HG13 H 1 1.027 0.030 . 1 . . . . 29 VAL HG1 . 11309 1 281 . 1 1 29 29 VAL HG21 H 1 1.073 0.030 . 1 . . . . 29 VAL HG2 . 11309 1 282 . 1 1 29 29 VAL HG22 H 1 1.073 0.030 . 1 . . . . 29 VAL HG2 . 11309 1 283 . 1 1 29 29 VAL HG23 H 1 1.073 0.030 . 1 . . . . 29 VAL HG2 . 11309 1 284 . 1 1 29 29 VAL C C 13 177.555 0.300 . 1 . . . . 29 VAL C . 11309 1 285 . 1 1 29 29 VAL CA C 13 65.750 0.300 . 1 . . . . 29 VAL CA . 11309 1 286 . 1 1 29 29 VAL CB C 13 31.660 0.300 . 1 . . . . 29 VAL CB . 11309 1 287 . 1 1 29 29 VAL CG1 C 13 21.705 0.300 . 2 . . . . 29 VAL CG1 . 11309 1 288 . 1 1 29 29 VAL CG2 C 13 22.260 0.300 . 2 . . . . 29 VAL CG2 . 11309 1 289 . 1 1 29 29 VAL N N 15 116.527 0.300 . 1 . . . . 29 VAL N . 11309 1 290 . 1 1 30 30 SER H H 1 7.348 0.030 . 1 . . . . 30 SER H . 11309 1 291 . 1 1 30 30 SER HA H 1 4.223 0.030 . 1 . . . . 30 SER HA . 11309 1 292 . 1 1 30 30 SER HB2 H 1 3.964 0.030 . 1 . . . . 30 SER HB2 . 11309 1 293 . 1 1 30 30 SER HB3 H 1 3.964 0.030 . 1 . . . . 30 SER HB3 . 11309 1 294 . 1 1 30 30 SER C C 13 174.681 0.300 . 1 . . . . 30 SER C . 11309 1 295 . 1 1 30 30 SER CA C 13 61.103 0.300 . 1 . . . . 30 SER CA . 11309 1 296 . 1 1 30 30 SER CB C 13 63.212 0.300 . 1 . . . . 30 SER CB . 11309 1 297 . 1 1 30 30 SER N N 15 113.393 0.300 . 1 . . . . 30 SER N . 11309 1 298 . 1 1 31 31 ASN H H 1 7.154 0.030 . 1 . . . . 31 ASN H . 11309 1 299 . 1 1 31 31 ASN HA H 1 4.870 0.030 . 1 . . . . 31 ASN HA . 11309 1 300 . 1 1 31 31 ASN HB2 H 1 2.794 0.030 . 2 . . . . 31 ASN HB2 . 11309 1 301 . 1 1 31 31 ASN HB3 H 1 2.560 0.030 . 2 . . . . 31 ASN HB3 . 11309 1 302 . 1 1 31 31 ASN HD21 H 1 7.532 0.030 . 2 . . . . 31 ASN HD21 . 11309 1 303 . 1 1 31 31 ASN HD22 H 1 6.911 0.030 . 2 . . . . 31 ASN HD22 . 11309 1 304 . 1 1 31 31 ASN C C 13 173.525 0.300 . 1 . . . . 31 ASN C . 11309 1 305 . 1 1 31 31 ASN CA C 13 53.595 0.300 . 1 . . . . 31 ASN CA . 11309 1 306 . 1 1 31 31 ASN CB C 13 41.052 0.300 . 1 . . . . 31 ASN CB . 11309 1 307 . 1 1 31 31 ASN N N 15 117.198 0.300 . 1 . . . . 31 ASN N . 11309 1 308 . 1 1 31 31 ASN ND2 N 15 113.807 0.300 . 1 . . . . 31 ASN ND2 . 11309 1 309 . 1 1 32 32 CYS H H 1 8.017 0.030 . 1 . . . . 32 CYS H . 11309 1 310 . 1 1 32 32 CYS HA H 1 4.337 0.030 . 1 . . . . 32 CYS HA . 11309 1 311 . 1 1 32 32 CYS HB2 H 1 2.619 0.030 . 2 . . . . 32 CYS HB2 . 11309 1 312 . 1 1 32 32 CYS HB3 H 1 1.743 0.030 . 2 . . . . 32 CYS HB3 . 11309 1 313 . 1 1 32 32 CYS C C 13 174.655 0.300 . 1 . . . . 32 CYS C . 11309 1 314 . 1 1 32 32 CYS CA C 13 58.892 0.300 . 1 . . . . 32 CYS CA . 11309 1 315 . 1 1 32 32 CYS CB C 13 27.248 0.300 . 1 . . . . 32 CYS CB . 11309 1 316 . 1 1 32 32 CYS N N 15 127.385 0.300 . 1 . . . . 32 CYS N . 11309 1 317 . 1 1 33 33 ARG H H 1 8.108 0.030 . 1 . . . . 33 ARG H . 11309 1 318 . 1 1 33 33 ARG HA H 1 4.106 0.030 . 1 . . . . 33 ARG HA . 11309 1 319 . 1 1 33 33 ARG HB2 H 1 1.816 0.030 . 1 . . . . 33 ARG HB2 . 11309 1 320 . 1 1 33 33 ARG HB3 H 1 1.816 0.030 . 1 . . . . 33 ARG HB3 . 11309 1 321 . 1 1 33 33 ARG HD2 H 1 3.226 0.030 . 1 . . . . 33 ARG HD2 . 11309 1 322 . 1 1 33 33 ARG HD3 H 1 3.226 0.030 . 1 . . . . 33 ARG HD3 . 11309 1 323 . 1 1 33 33 ARG HG2 H 1 1.653 0.030 . 1 . . . . 33 ARG HG2 . 11309 1 324 . 1 1 33 33 ARG HG3 H 1 1.653 0.030 . 1 . . . . 33 ARG HG3 . 11309 1 325 . 1 1 33 33 ARG C C 13 177.385 0.300 . 1 . . . . 33 ARG C . 11309 1 326 . 1 1 33 33 ARG CA C 13 58.687 0.300 . 1 . . . . 33 ARG CA . 11309 1 327 . 1 1 33 33 ARG CB C 13 29.847 0.300 . 1 . . . . 33 ARG CB . 11309 1 328 . 1 1 33 33 ARG CD C 13 43.012 0.300 . 1 . . . . 33 ARG CD . 11309 1 329 . 1 1 33 33 ARG CG C 13 26.912 0.300 . 1 . . . . 33 ARG CG . 11309 1 330 . 1 1 33 33 ARG N N 15 123.291 0.300 . 1 . . . . 33 ARG N . 11309 1 331 . 1 1 34 34 ASN H H 1 8.612 0.030 . 1 . . . . 34 ASN H . 11309 1 332 . 1 1 34 34 ASN HA H 1 4.882 0.030 . 1 . . . . 34 ASN HA . 11309 1 333 . 1 1 34 34 ASN HB2 H 1 3.012 0.030 . 2 . . . . 34 ASN HB2 . 11309 1 334 . 1 1 34 34 ASN HB3 H 1 2.698 0.030 . 2 . . . . 34 ASN HB3 . 11309 1 335 . 1 1 34 34 ASN HD21 H 1 7.538 0.030 . 2 . . . . 34 ASN HD21 . 11309 1 336 . 1 1 34 34 ASN HD22 H 1 6.870 0.030 . 2 . . . . 34 ASN HD22 . 11309 1 337 . 1 1 34 34 ASN C C 13 174.152 0.300 . 1 . . . . 34 ASN C . 11309 1 338 . 1 1 34 34 ASN CA C 13 52.704 0.300 . 1 . . . . 34 ASN CA . 11309 1 339 . 1 1 34 34 ASN CB C 13 38.158 0.300 . 1 . . . . 34 ASN CB . 11309 1 340 . 1 1 34 34 ASN N N 15 114.788 0.300 . 1 . . . . 34 ASN N . 11309 1 341 . 1 1 34 34 ASN ND2 N 15 112.466 0.300 . 1 . . . . 34 ASN ND2 . 11309 1 342 . 1 1 35 35 CYS H H 1 7.697 0.030 . 1 . . . . 35 CYS H . 11309 1 343 . 1 1 35 35 CYS HA H 1 4.089 0.030 . 1 . . . . 35 CYS HA . 11309 1 344 . 1 1 35 35 CYS HB2 H 1 3.570 0.030 . 2 . . . . 35 CYS HB2 . 11309 1 345 . 1 1 35 35 CYS HB3 H 1 2.899 0.030 . 2 . . . . 35 CYS HB3 . 11309 1 346 . 1 1 35 35 CYS C C 13 174.628 0.300 . 1 . . . . 35 CYS C . 11309 1 347 . 1 1 35 35 CYS CA C 13 61.363 0.300 . 1 . . . . 35 CYS CA . 11309 1 348 . 1 1 35 35 CYS CB C 13 26.207 0.300 . 1 . . . . 35 CYS CB . 11309 1 349 . 1 1 35 35 CYS N N 15 121.434 0.300 . 1 . . . . 35 CYS N . 11309 1 350 . 1 1 36 36 GLU H H 1 8.975 0.030 . 1 . . . . 36 GLU H . 11309 1 351 . 1 1 36 36 GLU HA H 1 4.717 0.030 . 1 . . . . 36 GLU HA . 11309 1 352 . 1 1 36 36 GLU HB2 H 1 2.361 0.030 . 2 . . . . 36 GLU HB2 . 11309 1 353 . 1 1 36 36 GLU HB3 H 1 2.019 0.030 . 2 . . . . 36 GLU HB3 . 11309 1 354 . 1 1 36 36 GLU HG2 H 1 2.362 0.030 . 1 . . . . 36 GLU HG2 . 11309 1 355 . 1 1 36 36 GLU HG3 H 1 2.362 0.030 . 1 . . . . 36 GLU HG3 . 11309 1 356 . 1 1 36 36 GLU C C 13 174.532 0.300 . 1 . . . . 36 GLU C . 11309 1 357 . 1 1 36 36 GLU CA C 13 56.570 0.300 . 1 . . . . 36 GLU CA . 11309 1 358 . 1 1 36 36 GLU CB C 13 33.809 0.300 . 1 . . . . 36 GLU CB . 11309 1 359 . 1 1 36 36 GLU CG C 13 36.731 0.300 . 1 . . . . 36 GLU CG . 11309 1 360 . 1 1 36 36 GLU N N 15 130.314 0.300 . 1 . . . . 36 GLU N . 11309 1 361 . 1 1 37 37 CYS H H 1 7.953 0.030 . 1 . . . . 37 CYS H . 11309 1 362 . 1 1 37 37 CYS HA H 1 4.479 0.030 . 1 . . . . 37 CYS HA . 11309 1 363 . 1 1 37 37 CYS HB2 H 1 1.772 0.030 . 2 . . . . 37 CYS HB2 . 11309 1 364 . 1 1 37 37 CYS HB3 H 1 1.016 0.030 . 2 . . . . 37 CYS HB3 . 11309 1 365 . 1 1 37 37 CYS C C 13 171.757 0.300 . 1 . . . . 37 CYS C . 11309 1 366 . 1 1 37 37 CYS CA C 13 56.853 0.300 . 1 . . . . 37 CYS CA . 11309 1 367 . 1 1 37 37 CYS CB C 13 28.158 0.300 . 1 . . . . 37 CYS CB . 11309 1 368 . 1 1 37 37 CYS N N 15 119.287 0.300 . 1 . . . . 37 CYS N . 11309 1 369 . 1 1 38 38 LEU H H 1 8.533 0.030 . 1 . . . . 38 LEU H . 11309 1 370 . 1 1 38 38 LEU HA H 1 5.062 0.030 . 1 . . . . 38 LEU HA . 11309 1 371 . 1 1 38 38 LEU HB2 H 1 1.223 0.030 . 2 . . . . 38 LEU HB2 . 11309 1 372 . 1 1 38 38 LEU HB3 H 1 1.008 0.030 . 2 . . . . 38 LEU HB3 . 11309 1 373 . 1 1 38 38 LEU HD11 H 1 0.217 0.030 . 1 . . . . 38 LEU HD1 . 11309 1 374 . 1 1 38 38 LEU HD12 H 1 0.217 0.030 . 1 . . . . 38 LEU HD1 . 11309 1 375 . 1 1 38 38 LEU HD13 H 1 0.217 0.030 . 1 . . . . 38 LEU HD1 . 11309 1 376 . 1 1 38 38 LEU HD21 H 1 0.469 0.030 . 1 . . . . 38 LEU HD2 . 11309 1 377 . 1 1 38 38 LEU HD22 H 1 0.469 0.030 . 1 . . . . 38 LEU HD2 . 11309 1 378 . 1 1 38 38 LEU HD23 H 1 0.469 0.030 . 1 . . . . 38 LEU HD2 . 11309 1 379 . 1 1 38 38 LEU HG H 1 1.194 0.030 . 1 . . . . 38 LEU HG . 11309 1 380 . 1 1 38 38 LEU C C 13 176.040 0.300 . 1 . . . . 38 LEU C . 11309 1 381 . 1 1 38 38 LEU CA C 13 52.639 0.300 . 1 . . . . 38 LEU CA . 11309 1 382 . 1 1 38 38 LEU CB C 13 44.263 0.300 . 1 . . . . 38 LEU CB . 11309 1 383 . 1 1 38 38 LEU CD1 C 13 26.428 0.300 . 2 . . . . 38 LEU CD1 . 11309 1 384 . 1 1 38 38 LEU CD2 C 13 23.735 0.300 . 2 . . . . 38 LEU CD2 . 11309 1 385 . 1 1 38 38 LEU CG C 13 27.226 0.300 . 1 . . . . 38 LEU CG . 11309 1 386 . 1 1 38 38 LEU N N 15 130.691 0.300 . 1 . . . . 38 LEU N . 11309 1 387 . 1 1 39 39 SER H H 1 8.723 0.030 . 1 . . . . 39 SER H . 11309 1 388 . 1 1 39 39 SER HA H 1 5.902 0.030 . 1 . . . . 39 SER HA . 11309 1 389 . 1 1 39 39 SER HB2 H 1 3.722 0.030 . 2 . . . . 39 SER HB2 . 11309 1 390 . 1 1 39 39 SER HB3 H 1 3.538 0.030 . 2 . . . . 39 SER HB3 . 11309 1 391 . 1 1 39 39 SER C C 13 175.053 0.300 . 1 . . . . 39 SER C . 11309 1 392 . 1 1 39 39 SER CA C 13 56.582 0.300 . 1 . . . . 39 SER CA . 11309 1 393 . 1 1 39 39 SER CB C 13 64.079 0.300 . 1 . . . . 39 SER CB . 11309 1 394 . 1 1 39 39 SER N N 15 117.910 0.300 . 1 . . . . 39 SER N . 11309 1 395 . 1 1 40 40 CYS H H 1 9.183 0.030 . 1 . . . . 40 CYS H . 11309 1 396 . 1 1 40 40 CYS HA H 1 4.598 0.030 . 1 . . . . 40 CYS HA . 11309 1 397 . 1 1 40 40 CYS HB2 H 1 3.498 0.030 . 2 . . . . 40 CYS HB2 . 11309 1 398 . 1 1 40 40 CYS HB3 H 1 2.895 0.030 . 2 . . . . 40 CYS HB3 . 11309 1 399 . 1 1 40 40 CYS C C 13 178.908 0.300 . 1 . . . . 40 CYS C . 11309 1 400 . 1 1 40 40 CYS CA C 13 60.233 0.300 . 1 . . . . 40 CYS CA . 11309 1 401 . 1 1 40 40 CYS CB C 13 31.435 0.300 . 1 . . . . 40 CYS CB . 11309 1 402 . 1 1 40 40 CYS N N 15 130.036 0.300 . 1 . . . . 40 CYS N . 11309 1 403 . 1 1 41 41 ILE H H 1 8.518 0.030 . 1 . . . . 41 ILE H . 11309 1 404 . 1 1 41 41 ILE HA H 1 3.958 0.030 . 1 . . . . 41 ILE HA . 11309 1 405 . 1 1 41 41 ILE HB H 1 1.793 0.030 . 1 . . . . 41 ILE HB . 11309 1 406 . 1 1 41 41 ILE HD11 H 1 0.674 0.030 . 1 . . . . 41 ILE HD1 . 11309 1 407 . 1 1 41 41 ILE HD12 H 1 0.674 0.030 . 1 . . . . 41 ILE HD1 . 11309 1 408 . 1 1 41 41 ILE HD13 H 1 0.674 0.030 . 1 . . . . 41 ILE HD1 . 11309 1 409 . 1 1 41 41 ILE HG12 H 1 1.436 0.030 . 2 . . . . 41 ILE HG12 . 11309 1 410 . 1 1 41 41 ILE HG13 H 1 1.214 0.030 . 2 . . . . 41 ILE HG13 . 11309 1 411 . 1 1 41 41 ILE HG21 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 11309 1 412 . 1 1 41 41 ILE HG22 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 11309 1 413 . 1 1 41 41 ILE HG23 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 11309 1 414 . 1 1 41 41 ILE C C 13 176.276 0.300 . 1 . . . . 41 ILE C . 11309 1 415 . 1 1 41 41 ILE CA C 13 64.577 0.300 . 1 . . . . 41 ILE CA . 11309 1 416 . 1 1 41 41 ILE CB C 13 38.146 0.300 . 1 . . . . 41 ILE CB . 11309 1 417 . 1 1 41 41 ILE CD1 C 13 13.956 0.300 . 1 . . . . 41 ILE CD1 . 11309 1 418 . 1 1 41 41 ILE CG1 C 13 27.928 0.300 . 1 . . . . 41 ILE CG1 . 11309 1 419 . 1 1 41 41 ILE CG2 C 13 17.394 0.300 . 1 . . . . 41 ILE CG2 . 11309 1 420 . 1 1 41 41 ILE N N 15 128.976 0.300 . 1 . . . . 41 ILE N . 11309 1 421 . 1 1 42 42 ASP H H 1 8.898 0.030 . 1 . . . . 42 ASP H . 11309 1 422 . 1 1 42 42 ASP HA H 1 4.815 0.030 . 1 . . . . 42 ASP HA . 11309 1 423 . 1 1 42 42 ASP HB2 H 1 2.801 0.030 . 2 . . . . 42 ASP HB2 . 11309 1 424 . 1 1 42 42 ASP HB3 H 1 2.680 0.030 . 2 . . . . 42 ASP HB3 . 11309 1 425 . 1 1 42 42 ASP C C 13 176.955 0.300 . 1 . . . . 42 ASP C . 11309 1 426 . 1 1 42 42 ASP CA C 13 57.227 0.300 . 1 . . . . 42 ASP CA . 11309 1 427 . 1 1 42 42 ASP CB C 13 43.795 0.300 . 1 . . . . 42 ASP CB . 11309 1 428 . 1 1 42 42 ASP N N 15 123.614 0.300 . 1 . . . . 42 ASP N . 11309 1 429 . 1 1 43 43 CYS H H 1 8.250 0.030 . 1 . . . . 43 CYS H . 11309 1 430 . 1 1 43 43 CYS HA H 1 5.011 0.030 . 1 . . . . 43 CYS HA . 11309 1 431 . 1 1 43 43 CYS HB2 H 1 3.305 0.030 . 2 . . . . 43 CYS HB2 . 11309 1 432 . 1 1 43 43 CYS HB3 H 1 3.095 0.030 . 2 . . . . 43 CYS HB3 . 11309 1 433 . 1 1 43 43 CYS C C 13 177.279 0.300 . 1 . . . . 43 CYS C . 11309 1 434 . 1 1 43 43 CYS CA C 13 58.653 0.300 . 1 . . . . 43 CYS CA . 11309 1 435 . 1 1 43 43 CYS CB C 13 32.110 0.300 . 1 . . . . 43 CYS CB . 11309 1 436 . 1 1 43 43 CYS N N 15 117.084 0.300 . 1 . . . . 43 CYS N . 11309 1 437 . 1 1 44 44 GLY H H 1 7.844 0.030 . 1 . . . . 44 GLY H . 11309 1 438 . 1 1 44 44 GLY HA2 H 1 4.065 0.030 . 2 . . . . 44 GLY HA2 . 11309 1 439 . 1 1 44 44 GLY HA3 H 1 3.904 0.030 . 2 . . . . 44 GLY HA3 . 11309 1 440 . 1 1 44 44 GLY C C 13 173.648 0.300 . 1 . . . . 44 GLY C . 11309 1 441 . 1 1 44 44 GLY CA C 13 46.281 0.300 . 1 . . . . 44 GLY CA . 11309 1 442 . 1 1 44 44 GLY N N 15 113.014 0.300 . 1 . . . . 44 GLY N . 11309 1 443 . 1 1 45 45 LYS H H 1 8.073 0.030 . 1 . . . . 45 LYS H . 11309 1 444 . 1 1 45 45 LYS HA H 1 4.060 0.030 . 1 . . . . 45 LYS HA . 11309 1 445 . 1 1 45 45 LYS HB2 H 1 1.725 0.030 . 2 . . . . 45 LYS HB2 . 11309 1 446 . 1 1 45 45 LYS HB3 H 1 1.392 0.030 . 2 . . . . 45 LYS HB3 . 11309 1 447 . 1 1 45 45 LYS HD2 H 1 1.596 0.030 . 1 . . . . 45 LYS HD2 . 11309 1 448 . 1 1 45 45 LYS HD3 H 1 1.596 0.030 . 1 . . . . 45 LYS HD3 . 11309 1 449 . 1 1 45 45 LYS HE2 H 1 2.967 0.030 . 1 . . . . 45 LYS HE2 . 11309 1 450 . 1 1 45 45 LYS HE3 H 1 2.967 0.030 . 1 . . . . 45 LYS HE3 . 11309 1 451 . 1 1 45 45 LYS HG2 H 1 1.390 0.030 . 2 . . . . 45 LYS HG2 . 11309 1 452 . 1 1 45 45 LYS HG3 H 1 1.009 0.030 . 2 . . . . 45 LYS HG3 . 11309 1 453 . 1 1 45 45 LYS C C 13 174.092 0.300 . 1 . . . . 45 LYS C . 11309 1 454 . 1 1 45 45 LYS CA C 13 57.428 0.300 . 1 . . . . 45 LYS CA . 11309 1 455 . 1 1 45 45 LYS CB C 13 33.823 0.300 . 1 . . . . 45 LYS CB . 11309 1 456 . 1 1 45 45 LYS CD C 13 29.183 0.300 . 1 . . . . 45 LYS CD . 11309 1 457 . 1 1 45 45 LYS CE C 13 42.483 0.300 . 1 . . . . 45 LYS CE . 11309 1 458 . 1 1 45 45 LYS CG C 13 25.907 0.300 . 1 . . . . 45 LYS CG . 11309 1 459 . 1 1 45 45 LYS N N 15 122.350 0.300 . 1 . . . . 45 LYS N . 11309 1 460 . 1 1 46 46 ASP H H 1 7.888 0.030 . 1 . . . . 46 ASP H . 11309 1 461 . 1 1 46 46 ASP HA H 1 4.689 0.030 . 1 . . . . 46 ASP HA . 11309 1 462 . 1 1 46 46 ASP HB2 H 1 2.388 0.030 . 2 . . . . 46 ASP HB2 . 11309 1 463 . 1 1 46 46 ASP HB3 H 1 2.069 0.030 . 2 . . . . 46 ASP HB3 . 11309 1 464 . 1 1 46 46 ASP C C 13 175.195 0.300 . 1 . . . . 46 ASP C . 11309 1 465 . 1 1 46 46 ASP CA C 13 53.691 0.300 . 1 . . . . 46 ASP CA . 11309 1 466 . 1 1 46 46 ASP CB C 13 42.927 0.300 . 1 . . . . 46 ASP CB . 11309 1 467 . 1 1 46 46 ASP N N 15 120.298 0.300 . 1 . . . . 46 ASP N . 11309 1 468 . 1 1 47 47 PHE H H 1 8.742 0.030 . 1 . . . . 47 PHE H . 11309 1 469 . 1 1 47 47 PHE HA H 1 4.729 0.030 . 1 . . . . 47 PHE HA . 11309 1 470 . 1 1 47 47 PHE HB2 H 1 2.898 0.030 . 2 . . . . 47 PHE HB2 . 11309 1 471 . 1 1 47 47 PHE HB3 H 1 2.595 0.030 . 2 . . . . 47 PHE HB3 . 11309 1 472 . 1 1 47 47 PHE HD1 H 1 7.216 0.030 . 1 . . . . 47 PHE HD1 . 11309 1 473 . 1 1 47 47 PHE HD2 H 1 7.216 0.030 . 1 . . . . 47 PHE HD2 . 11309 1 474 . 1 1 47 47 PHE HE1 H 1 6.937 0.030 . 1 . . . . 47 PHE HE1 . 11309 1 475 . 1 1 47 47 PHE HE2 H 1 6.937 0.030 . 1 . . . . 47 PHE HE2 . 11309 1 476 . 1 1 47 47 PHE HZ H 1 6.229 0.030 . 1 . . . . 47 PHE HZ . 11309 1 477 . 1 1 47 47 PHE C C 13 175.053 0.300 . 1 . . . . 47 PHE C . 11309 1 478 . 1 1 47 47 PHE CA C 13 57.497 0.300 . 1 . . . . 47 PHE CA . 11309 1 479 . 1 1 47 47 PHE CB C 13 40.815 0.300 . 1 . . . . 47 PHE CB . 11309 1 480 . 1 1 47 47 PHE CD1 C 13 132.505 0.300 . 1 . . . . 47 PHE CD1 . 11309 1 481 . 1 1 47 47 PHE CD2 C 13 132.505 0.300 . 1 . . . . 47 PHE CD2 . 11309 1 482 . 1 1 47 47 PHE CE1 C 13 130.728 0.300 . 1 . . . . 47 PHE CE1 . 11309 1 483 . 1 1 47 47 PHE CE2 C 13 130.728 0.300 . 1 . . . . 47 PHE CE2 . 11309 1 484 . 1 1 47 47 PHE CZ C 13 128.353 0.300 . 1 . . . . 47 PHE CZ . 11309 1 485 . 1 1 47 47 PHE N N 15 119.267 0.300 . 1 . . . . 47 PHE N . 11309 1 486 . 1 1 48 48 TRP H H 1 9.915 0.030 . 1 . . . . 48 TRP H . 11309 1 487 . 1 1 48 48 TRP HA H 1 4.948 0.030 . 1 . . . . 48 TRP HA . 11309 1 488 . 1 1 48 48 TRP HB2 H 1 3.451 0.030 . 2 . . . . 48 TRP HB2 . 11309 1 489 . 1 1 48 48 TRP HB3 H 1 3.175 0.030 . 2 . . . . 48 TRP HB3 . 11309 1 490 . 1 1 48 48 TRP HD1 H 1 7.208 0.030 . 1 . . . . 48 TRP HD1 . 11309 1 491 . 1 1 48 48 TRP HE1 H 1 10.449 0.030 . 1 . . . . 48 TRP HE1 . 11309 1 492 . 1 1 48 48 TRP HE3 H 1 7.714 0.030 . 1 . . . . 48 TRP HE3 . 11309 1 493 . 1 1 48 48 TRP HH2 H 1 7.208 0.030 . 1 . . . . 48 TRP HH2 . 11309 1 494 . 1 1 48 48 TRP HZ2 H 1 7.476 0.030 . 1 . . . . 48 TRP HZ2 . 11309 1 495 . 1 1 48 48 TRP HZ3 H 1 7.078 0.030 . 1 . . . . 48 TRP HZ3 . 11309 1 496 . 1 1 48 48 TRP C C 13 177.610 0.300 . 1 . . . . 48 TRP C . 11309 1 497 . 1 1 48 48 TRP CA C 13 57.437 0.300 . 1 . . . . 48 TRP CA . 11309 1 498 . 1 1 48 48 TRP CB C 13 30.048 0.300 . 1 . . . . 48 TRP CB . 11309 1 499 . 1 1 48 48 TRP CD1 C 13 126.958 0.300 . 1 . . . . 48 TRP CD1 . 11309 1 500 . 1 1 48 48 TRP CE3 C 13 121.131 0.300 . 1 . . . . 48 TRP CE3 . 11309 1 501 . 1 1 48 48 TRP CH2 C 13 124.540 0.300 . 1 . . . . 48 TRP CH2 . 11309 1 502 . 1 1 48 48 TRP CZ2 C 13 114.855 0.300 . 1 . . . . 48 TRP CZ2 . 11309 1 503 . 1 1 48 48 TRP CZ3 C 13 121.962 0.300 . 1 . . . . 48 TRP CZ3 . 11309 1 504 . 1 1 48 48 TRP N N 15 129.854 0.300 . 1 . . . . 48 TRP N . 11309 1 505 . 1 1 48 48 TRP NE1 N 15 130.636 0.300 . 1 . . . . 48 TRP NE1 . 11309 1 506 . 1 1 49 49 GLY H H 1 8.709 0.030 . 1 . . . . 49 GLY H . 11309 1 507 . 1 1 49 49 GLY HA2 H 1 4.114 0.030 . 2 . . . . 49 GLY HA2 . 11309 1 508 . 1 1 49 49 GLY HA3 H 1 3.987 0.030 . 2 . . . . 49 GLY HA3 . 11309 1 509 . 1 1 49 49 GLY C C 13 176.109 0.300 . 1 . . . . 49 GLY C . 11309 1 510 . 1 1 49 49 GLY CA C 13 47.282 0.300 . 1 . . . . 49 GLY CA . 11309 1 511 . 1 1 49 49 GLY N N 15 111.102 0.300 . 1 . . . . 49 GLY N . 11309 1 512 . 1 1 50 50 ASP H H 1 9.029 0.030 . 1 . . . . 50 ASP H . 11309 1 513 . 1 1 50 50 ASP HA H 1 4.940 0.030 . 1 . . . . 50 ASP HA . 11309 1 514 . 1 1 50 50 ASP HB2 H 1 2.804 0.030 . 2 . . . . 50 ASP HB2 . 11309 1 515 . 1 1 50 50 ASP HB3 H 1 2.686 0.030 . 2 . . . . 50 ASP HB3 . 11309 1 516 . 1 1 50 50 ASP C C 13 177.761 0.300 . 1 . . . . 50 ASP C . 11309 1 517 . 1 1 50 50 ASP CA C 13 54.616 0.300 . 1 . . . . 50 ASP CA . 11309 1 518 . 1 1 50 50 ASP CB C 13 40.577 0.300 . 1 . . . . 50 ASP CB . 11309 1 519 . 1 1 50 50 ASP N N 15 126.847 0.300 . 1 . . . . 50 ASP N . 11309 1 520 . 1 1 51 51 ASP H H 1 8.533 0.030 . 1 . . . . 51 ASP H . 11309 1 521 . 1 1 51 51 ASP HA H 1 4.518 0.030 . 1 . . . . 51 ASP HA . 11309 1 522 . 1 1 51 51 ASP HB2 H 1 3.297 0.030 . 2 . . . . 51 ASP HB2 . 11309 1 523 . 1 1 51 51 ASP HB3 H 1 3.069 0.030 . 2 . . . . 51 ASP HB3 . 11309 1 524 . 1 1 51 51 ASP C C 13 178.122 0.300 . 1 . . . . 51 ASP C . 11309 1 525 . 1 1 51 51 ASP CA C 13 57.341 0.300 . 1 . . . . 51 ASP CA . 11309 1 526 . 1 1 51 51 ASP CB C 13 40.171 0.300 . 1 . . . . 51 ASP CB . 11309 1 527 . 1 1 51 51 ASP N N 15 121.794 0.300 . 1 . . . . 51 ASP N . 11309 1 528 . 1 1 52 52 TYR H H 1 7.879 0.030 . 1 . . . . 52 TYR H . 11309 1 529 . 1 1 52 52 TYR HA H 1 3.410 0.030 . 1 . . . . 52 TYR HA . 11309 1 530 . 1 1 52 52 TYR HB2 H 1 2.448 0.030 . 2 . . . . 52 TYR HB2 . 11309 1 531 . 1 1 52 52 TYR HB3 H 1 2.005 0.030 . 2 . . . . 52 TYR HB3 . 11309 1 532 . 1 1 52 52 TYR HE1 H 1 6.780 0.030 . 1 . . . . 52 TYR HE1 . 11309 1 533 . 1 1 52 52 TYR HE2 H 1 6.780 0.030 . 1 . . . . 52 TYR HE2 . 11309 1 534 . 1 1 52 52 TYR C C 13 176.199 0.300 . 1 . . . . 52 TYR C . 11309 1 535 . 1 1 52 52 TYR CA C 13 59.779 0.300 . 1 . . . . 52 TYR CA . 11309 1 536 . 1 1 52 52 TYR CB C 13 34.971 0.300 . 1 . . . . 52 TYR CB . 11309 1 537 . 1 1 52 52 TYR CE1 C 13 118.464 0.300 . 1 . . . . 52 TYR CE1 . 11309 1 538 . 1 1 52 52 TYR CE2 C 13 118.464 0.300 . 1 . . . . 52 TYR CE2 . 11309 1 539 . 1 1 52 52 TYR N N 15 118.005 0.300 . 1 . . . . 52 TYR N . 11309 1 540 . 1 1 53 53 LYS H H 1 6.423 0.030 . 1 . . . . 53 LYS H . 11309 1 541 . 1 1 53 53 LYS HA H 1 3.150 0.030 . 1 . . . . 53 LYS HA . 11309 1 542 . 1 1 53 53 LYS HB2 H 1 1.601 0.030 . 2 . . . . 53 LYS HB2 . 11309 1 543 . 1 1 53 53 LYS HB3 H 1 1.431 0.030 . 2 . . . . 53 LYS HB3 . 11309 1 544 . 1 1 53 53 LYS HD2 H 1 1.520 0.030 . 1 . . . . 53 LYS HD2 . 11309 1 545 . 1 1 53 53 LYS HD3 H 1 1.520 0.030 . 1 . . . . 53 LYS HD3 . 11309 1 546 . 1 1 53 53 LYS HE2 H 1 2.915 0.030 . 2 . . . . 53 LYS HE2 . 11309 1 547 . 1 1 53 53 LYS HE3 H 1 2.869 0.030 . 2 . . . . 53 LYS HE3 . 11309 1 548 . 1 1 53 53 LYS HG2 H 1 0.836 0.030 . 2 . . . . 53 LYS HG2 . 11309 1 549 . 1 1 53 53 LYS HG3 H 1 0.534 0.030 . 2 . . . . 53 LYS HG3 . 11309 1 550 . 1 1 53 53 LYS C C 13 178.181 0.300 . 1 . . . . 53 LYS C . 11309 1 551 . 1 1 53 53 LYS CA C 13 59.326 0.300 . 1 . . . . 53 LYS CA . 11309 1 552 . 1 1 53 53 LYS CB C 13 32.709 0.300 . 1 . . . . 53 LYS CB . 11309 1 553 . 1 1 53 53 LYS CD C 13 29.714 0.300 . 1 . . . . 53 LYS CD . 11309 1 554 . 1 1 53 53 LYS CE C 13 42.318 0.300 . 1 . . . . 53 LYS CE . 11309 1 555 . 1 1 53 53 LYS CG C 13 26.333 0.300 . 1 . . . . 53 LYS CG . 11309 1 556 . 1 1 53 53 LYS N N 15 119.631 0.300 . 1 . . . . 53 LYS N . 11309 1 557 . 1 1 54 54 SER H H 1 7.448 0.030 . 1 . . . . 54 SER H . 11309 1 558 . 1 1 54 54 SER HA H 1 4.374 0.030 . 1 . . . . 54 SER HA . 11309 1 559 . 1 1 54 54 SER HB2 H 1 4.122 0.030 . 2 . . . . 54 SER HB2 . 11309 1 560 . 1 1 54 54 SER HB3 H 1 4.023 0.030 . 2 . . . . 54 SER HB3 . 11309 1 561 . 1 1 54 54 SER C C 13 174.323 0.300 . 1 . . . . 54 SER C . 11309 1 562 . 1 1 54 54 SER CA C 13 58.692 0.300 . 1 . . . . 54 SER CA . 11309 1 563 . 1 1 54 54 SER CB C 13 63.992 0.300 . 1 . . . . 54 SER CB . 11309 1 564 . 1 1 54 54 SER N N 15 111.321 0.300 . 1 . . . . 54 SER N . 11309 1 565 . 1 1 55 55 HIS H H 1 7.578 0.030 . 1 . . . . 55 HIS H . 11309 1 566 . 1 1 55 55 HIS HA H 1 4.933 0.030 . 1 . . . . 55 HIS HA . 11309 1 567 . 1 1 55 55 HIS HB2 H 1 3.389 0.030 . 2 . . . . 55 HIS HB2 . 11309 1 568 . 1 1 55 55 HIS HB3 H 1 2.031 0.030 . 2 . . . . 55 HIS HB3 . 11309 1 569 . 1 1 55 55 HIS HD2 H 1 6.764 0.030 . 1 . . . . 55 HIS HD2 . 11309 1 570 . 1 1 55 55 HIS HE1 H 1 8.311 0.030 . 1 . . . . 55 HIS HE1 . 11309 1 571 . 1 1 55 55 HIS C C 13 173.323 0.300 . 1 . . . . 55 HIS C . 11309 1 572 . 1 1 55 55 HIS CA C 13 55.274 0.300 . 1 . . . . 55 HIS CA . 11309 1 573 . 1 1 55 55 HIS CB C 13 28.170 0.300 . 1 . . . . 55 HIS CB . 11309 1 574 . 1 1 55 55 HIS CD2 C 13 126.971 0.300 . 1 . . . . 55 HIS CD2 . 11309 1 575 . 1 1 55 55 HIS CE1 C 13 140.546 0.300 . 1 . . . . 55 HIS CE1 . 11309 1 576 . 1 1 55 55 HIS N N 15 124.514 0.300 . 1 . . . . 55 HIS N . 11309 1 577 . 1 1 56 56 VAL H H 1 7.860 0.030 . 1 . . . . 56 VAL H . 11309 1 578 . 1 1 56 56 VAL HA H 1 4.082 0.030 . 1 . . . . 56 VAL HA . 11309 1 579 . 1 1 56 56 VAL HB H 1 2.153 0.030 . 1 . . . . 56 VAL HB . 11309 1 580 . 1 1 56 56 VAL HG11 H 1 0.908 0.030 . 1 . . . . 56 VAL HG1 . 11309 1 581 . 1 1 56 56 VAL HG12 H 1 0.908 0.030 . 1 . . . . 56 VAL HG1 . 11309 1 582 . 1 1 56 56 VAL HG13 H 1 0.908 0.030 . 1 . . . . 56 VAL HG1 . 11309 1 583 . 1 1 56 56 VAL HG21 H 1 0.880 0.030 . 1 . . . . 56 VAL HG2 . 11309 1 584 . 1 1 56 56 VAL HG22 H 1 0.880 0.030 . 1 . . . . 56 VAL HG2 . 11309 1 585 . 1 1 56 56 VAL HG23 H 1 0.880 0.030 . 1 . . . . 56 VAL HG2 . 11309 1 586 . 1 1 56 56 VAL C C 13 175.044 0.300 . 1 . . . . 56 VAL C . 11309 1 587 . 1 1 56 56 VAL CA C 13 62.011 0.300 . 1 . . . . 56 VAL CA . 11309 1 588 . 1 1 56 56 VAL CB C 13 33.039 0.300 . 1 . . . . 56 VAL CB . 11309 1 589 . 1 1 56 56 VAL CG1 C 13 21.655 0.300 . 2 . . . . 56 VAL CG1 . 11309 1 590 . 1 1 56 56 VAL CG2 C 13 19.437 0.300 . 2 . . . . 56 VAL CG2 . 11309 1 591 . 1 1 56 56 VAL N N 15 121.026 0.300 . 1 . . . . 56 VAL N . 11309 1 592 . 1 1 57 57 LYS H H 1 7.744 0.030 . 1 . . . . 57 LYS H . 11309 1 593 . 1 1 57 57 LYS HA H 1 4.168 0.030 . 1 . . . . 57 LYS HA . 11309 1 594 . 1 1 57 57 LYS HB2 H 1 1.752 0.030 . 2 . . . . 57 LYS HB2 . 11309 1 595 . 1 1 57 57 LYS HB3 H 1 1.633 0.030 . 2 . . . . 57 LYS HB3 . 11309 1 596 . 1 1 57 57 LYS HD2 H 1 1.603 0.030 . 1 . . . . 57 LYS HD2 . 11309 1 597 . 1 1 57 57 LYS HD3 H 1 1.603 0.030 . 1 . . . . 57 LYS HD3 . 11309 1 598 . 1 1 57 57 LYS HE2 H 1 2.956 0.030 . 1 . . . . 57 LYS HE2 . 11309 1 599 . 1 1 57 57 LYS HE3 H 1 2.956 0.030 . 1 . . . . 57 LYS HE3 . 11309 1 600 . 1 1 57 57 LYS HG2 H 1 1.328 0.030 . 1 . . . . 57 LYS HG2 . 11309 1 601 . 1 1 57 57 LYS HG3 H 1 1.328 0.030 . 1 . . . . 57 LYS HG3 . 11309 1 602 . 1 1 57 57 LYS C C 13 174.883 0.300 . 1 . . . . 57 LYS C . 11309 1 603 . 1 1 57 57 LYS CA C 13 55.947 0.300 . 1 . . . . 57 LYS CA . 11309 1 604 . 1 1 57 57 LYS CB C 13 33.881 0.300 . 1 . . . . 57 LYS CB . 11309 1 605 . 1 1 57 57 LYS CD C 13 29.302 0.300 . 1 . . . . 57 LYS CD . 11309 1 606 . 1 1 57 57 LYS CE C 13 42.318 0.300 . 1 . . . . 57 LYS CE . 11309 1 607 . 1 1 57 57 LYS CG C 13 24.396 0.300 . 1 . . . . 57 LYS CG . 11309 1 608 . 1 1 57 57 LYS N N 15 119.839 0.300 . 1 . . . . 57 LYS N . 11309 1 609 . 1 1 58 58 CYS H H 1 8.351 0.030 . 1 . . . . 58 CYS H . 11309 1 610 . 1 1 58 58 CYS HA H 1 4.307 0.030 . 1 . . . . 58 CYS HA . 11309 1 611 . 1 1 58 58 CYS HB2 H 1 2.854 0.030 . 2 . . . . 58 CYS HB2 . 11309 1 612 . 1 1 58 58 CYS HB3 H 1 2.626 0.030 . 2 . . . . 58 CYS HB3 . 11309 1 613 . 1 1 58 58 CYS C C 13 175.410 0.300 . 1 . . . . 58 CYS C . 11309 1 614 . 1 1 58 58 CYS CA C 13 59.829 0.300 . 1 . . . . 58 CYS CA . 11309 1 615 . 1 1 58 58 CYS CB C 13 29.659 0.300 . 1 . . . . 58 CYS CB . 11309 1 616 . 1 1 58 58 CYS N N 15 126.303 0.300 . 1 . . . . 58 CYS N . 11309 1 617 . 1 1 59 59 ILE H H 1 8.088 0.030 . 1 . . . . 59 ILE H . 11309 1 618 . 1 1 59 59 ILE HA H 1 4.353 0.030 . 1 . . . . 59 ILE HA . 11309 1 619 . 1 1 59 59 ILE HB H 1 1.934 0.030 . 1 . . . . 59 ILE HB . 11309 1 620 . 1 1 59 59 ILE HD11 H 1 0.882 0.030 . 1 . . . . 59 ILE HD1 . 11309 1 621 . 1 1 59 59 ILE HD12 H 1 0.882 0.030 . 1 . . . . 59 ILE HD1 . 11309 1 622 . 1 1 59 59 ILE HD13 H 1 0.882 0.030 . 1 . . . . 59 ILE HD1 . 11309 1 623 . 1 1 59 59 ILE HG12 H 1 1.486 0.030 . 2 . . . . 59 ILE HG12 . 11309 1 624 . 1 1 59 59 ILE HG13 H 1 1.220 0.030 . 2 . . . . 59 ILE HG13 . 11309 1 625 . 1 1 59 59 ILE HG21 H 1 0.957 0.030 . 1 . . . . 59 ILE HG2 . 11309 1 626 . 1 1 59 59 ILE HG22 H 1 0.957 0.030 . 1 . . . . 59 ILE HG2 . 11309 1 627 . 1 1 59 59 ILE HG23 H 1 0.957 0.030 . 1 . . . . 59 ILE HG2 . 11309 1 628 . 1 1 59 59 ILE C C 13 175.958 0.300 . 1 . . . . 59 ILE C . 11309 1 629 . 1 1 59 59 ILE CA C 13 60.971 0.300 . 1 . . . . 59 ILE CA . 11309 1 630 . 1 1 59 59 ILE CB C 13 39.476 0.300 . 1 . . . . 59 ILE CB . 11309 1 631 . 1 1 59 59 ILE CD1 C 13 13.316 0.300 . 1 . . . . 59 ILE CD1 . 11309 1 632 . 1 1 59 59 ILE CG1 C 13 27.186 0.300 . 1 . . . . 59 ILE CG1 . 11309 1 633 . 1 1 59 59 ILE CG2 C 13 17.765 0.300 . 1 . . . . 59 ILE CG2 . 11309 1 634 . 1 1 59 59 ILE N N 15 123.438 0.300 . 1 . . . . 59 ILE N . 11309 1 635 . 1 1 60 60 SER H H 1 8.444 0.030 . 1 . . . . 60 SER H . 11309 1 636 . 1 1 60 60 SER HA H 1 4.516 0.030 . 1 . . . . 60 SER HA . 11309 1 637 . 1 1 60 60 SER HB2 H 1 3.875 0.030 . 1 . . . . 60 SER HB2 . 11309 1 638 . 1 1 60 60 SER HB3 H 1 3.875 0.030 . 1 . . . . 60 SER HB3 . 11309 1 639 . 1 1 60 60 SER C C 13 174.556 0.300 . 1 . . . . 60 SER C . 11309 1 640 . 1 1 60 60 SER CA C 13 58.178 0.300 . 1 . . . . 60 SER CA . 11309 1 641 . 1 1 60 60 SER CB C 13 64.039 0.300 . 1 . . . . 60 SER CB . 11309 1 642 . 1 1 60 60 SER N N 15 119.867 0.300 . 1 . . . . 60 SER N . 11309 1 643 . 1 1 61 61 GLU H H 1 8.470 0.030 . 1 . . . . 61 GLU H . 11309 1 644 . 1 1 61 61 GLU HA H 1 4.302 0.030 . 1 . . . . 61 GLU HA . 11309 1 645 . 1 1 61 61 GLU HB2 H 1 2.106 0.030 . 2 . . . . 61 GLU HB2 . 11309 1 646 . 1 1 61 61 GLU HB3 H 1 2.029 0.030 . 2 . . . . 61 GLU HB3 . 11309 1 647 . 1 1 61 61 GLU HG2 H 1 2.323 0.030 . 2 . . . . 61 GLU HG2 . 11309 1 648 . 1 1 61 61 GLU HG3 H 1 2.289 0.030 . 2 . . . . 61 GLU HG3 . 11309 1 649 . 1 1 61 61 GLU C C 13 177.179 0.300 . 1 . . . . 61 GLU C . 11309 1 650 . 1 1 61 61 GLU CA C 13 57.177 0.300 . 1 . . . . 61 GLU CA . 11309 1 651 . 1 1 61 61 GLU CB C 13 30.328 0.300 . 1 . . . . 61 GLU CB . 11309 1 652 . 1 1 61 61 GLU CG C 13 36.362 0.300 . 1 . . . . 61 GLU CG . 11309 1 653 . 1 1 61 61 GLU N N 15 123.230 0.300 . 1 . . . . 61 GLU N . 11309 1 654 . 1 1 62 62 GLY H H 1 8.485 0.030 . 1 . . . . 62 GLY H . 11309 1 655 . 1 1 62 62 GLY HA2 H 1 3.946 0.030 . 1 . . . . 62 GLY HA2 . 11309 1 656 . 1 1 62 62 GLY HA3 H 1 3.946 0.030 . 1 . . . . 62 GLY HA3 . 11309 1 657 . 1 1 62 62 GLY C C 13 174.421 0.300 . 1 . . . . 62 GLY C . 11309 1 658 . 1 1 62 62 GLY CA C 13 45.502 0.300 . 1 . . . . 62 GLY CA . 11309 1 659 . 1 1 62 62 GLY N N 15 109.730 0.300 . 1 . . . . 62 GLY N . 11309 1 660 . 1 1 63 63 GLN H H 1 8.176 0.030 . 1 . . . . 63 GLN H . 11309 1 661 . 1 1 63 63 GLN HA H 1 4.275 0.030 . 1 . . . . 63 GLN HA . 11309 1 662 . 1 1 63 63 GLN HB2 H 1 2.042 0.030 . 2 . . . . 63 GLN HB2 . 11309 1 663 . 1 1 63 63 GLN HB3 H 1 1.974 0.030 . 2 . . . . 63 GLN HB3 . 11309 1 664 . 1 1 63 63 GLN HG2 H 1 2.315 0.030 . 1 . . . . 63 GLN HG2 . 11309 1 665 . 1 1 63 63 GLN HG3 H 1 2.315 0.030 . 1 . . . . 63 GLN HG3 . 11309 1 666 . 1 1 63 63 GLN C C 13 176.195 0.300 . 1 . . . . 63 GLN C . 11309 1 667 . 1 1 63 63 GLN CA C 13 56.088 0.300 . 1 . . . . 63 GLN CA . 11309 1 668 . 1 1 63 63 GLN CB C 13 29.392 0.300 . 1 . . . . 63 GLN CB . 11309 1 669 . 1 1 63 63 GLN CG C 13 33.901 0.300 . 1 . . . . 63 GLN CG . 11309 1 670 . 1 1 63 63 GLN N N 15 119.772 0.300 . 1 . . . . 63 GLN N . 11309 1 671 . 1 1 64 64 LYS H H 1 8.284 0.030 . 1 . . . . 64 LYS H . 11309 1 672 . 1 1 64 64 LYS HA H 1 4.228 0.030 . 1 . . . . 64 LYS HA . 11309 1 673 . 1 1 64 64 LYS HB2 H 1 1.656 0.030 . 1 . . . . 64 LYS HB2 . 11309 1 674 . 1 1 64 64 LYS HB3 H 1 1.656 0.030 . 1 . . . . 64 LYS HB3 . 11309 1 675 . 1 1 64 64 LYS HD2 H 1 1.608 0.030 . 1 . . . . 64 LYS HD2 . 11309 1 676 . 1 1 64 64 LYS HD3 H 1 1.608 0.030 . 1 . . . . 64 LYS HD3 . 11309 1 677 . 1 1 64 64 LYS HE2 H 1 2.930 0.030 . 1 . . . . 64 LYS HE2 . 11309 1 678 . 1 1 64 64 LYS HE3 H 1 2.930 0.030 . 1 . . . . 64 LYS HE3 . 11309 1 679 . 1 1 64 64 LYS HG2 H 1 1.303 0.030 . 2 . . . . 64 LYS HG2 . 11309 1 680 . 1 1 64 64 LYS HG3 H 1 1.207 0.030 . 2 . . . . 64 LYS HG3 . 11309 1 681 . 1 1 64 64 LYS C C 13 176.522 0.300 . 1 . . . . 64 LYS C . 11309 1 682 . 1 1 64 64 LYS CA C 13 56.674 0.300 . 1 . . . . 64 LYS CA . 11309 1 683 . 1 1 64 64 LYS CB C 13 33.022 0.300 . 1 . . . . 64 LYS CB . 11309 1 684 . 1 1 64 64 LYS CD C 13 29.190 0.300 . 1 . . . . 64 LYS CD . 11309 1 685 . 1 1 64 64 LYS CE C 13 42.235 0.300 . 1 . . . . 64 LYS CE . 11309 1 686 . 1 1 64 64 LYS CG C 13 24.731 0.300 . 1 . . . . 64 LYS CG . 11309 1 687 . 1 1 64 64 LYS N N 15 121.842 0.300 . 1 . . . . 64 LYS N . 11309 1 688 . 1 1 65 65 TYR H H 1 8.278 0.030 . 1 . . . . 65 TYR H . 11309 1 689 . 1 1 65 65 TYR HA H 1 4.557 0.030 . 1 . . . . 65 TYR HA . 11309 1 690 . 1 1 65 65 TYR HB2 H 1 3.086 0.030 . 2 . . . . 65 TYR HB2 . 11309 1 691 . 1 1 65 65 TYR HB3 H 1 2.927 0.030 . 2 . . . . 65 TYR HB3 . 11309 1 692 . 1 1 65 65 TYR HD1 H 1 7.115 0.030 . 1 . . . . 65 TYR HD1 . 11309 1 693 . 1 1 65 65 TYR HD2 H 1 7.115 0.030 . 1 . . . . 65 TYR HD2 . 11309 1 694 . 1 1 65 65 TYR HE1 H 1 6.827 0.030 . 1 . . . . 65 TYR HE1 . 11309 1 695 . 1 1 65 65 TYR HE2 H 1 6.827 0.030 . 1 . . . . 65 TYR HE2 . 11309 1 696 . 1 1 65 65 TYR CA C 13 57.889 0.300 . 1 . . . . 65 TYR CA . 11309 1 697 . 1 1 65 65 TYR CB C 13 38.607 0.300 . 1 . . . . 65 TYR CB . 11309 1 698 . 1 1 65 65 TYR CD1 C 13 133.266 0.300 . 1 . . . . 65 TYR CD1 . 11309 1 699 . 1 1 65 65 TYR CD2 C 13 133.266 0.300 . 1 . . . . 65 TYR CD2 . 11309 1 700 . 1 1 65 65 TYR CE1 C 13 118.256 0.300 . 1 . . . . 65 TYR CE1 . 11309 1 701 . 1 1 65 65 TYR CE2 C 13 118.256 0.300 . 1 . . . . 65 TYR CE2 . 11309 1 702 . 1 1 65 65 TYR N N 15 120.602 0.300 . 1 . . . . 65 TYR N . 11309 1 703 . 1 1 66 66 GLY H H 1 7.943 0.030 . 1 . . . . 66 GLY H . 11309 1 704 . 1 1 66 66 GLY HA2 H 1 3.974 0.030 . 1 . . . . 66 GLY HA2 . 11309 1 705 . 1 1 66 66 GLY HA3 H 1 3.974 0.030 . 1 . . . . 66 GLY HA3 . 11309 1 706 . 1 1 66 66 GLY CA C 13 45.254 0.300 . 1 . . . . 66 GLY CA . 11309 1 707 . 1 1 66 66 GLY N N 15 108.287 0.300 . 1 . . . . 66 GLY N . 11309 1 708 . 1 1 68 68 LYS HA H 1 4.326 0.030 . 1 . . . . 68 LYS HA . 11309 1 709 . 1 1 68 68 LYS HB2 H 1 1.834 0.030 . 2 . . . . 68 LYS HB2 . 11309 1 710 . 1 1 68 68 LYS HB3 H 1 1.757 0.030 . 2 . . . . 68 LYS HB3 . 11309 1 711 . 1 1 68 68 LYS HD2 H 1 1.700 0.030 . 1 . . . . 68 LYS HD2 . 11309 1 712 . 1 1 68 68 LYS HD3 H 1 1.700 0.030 . 1 . . . . 68 LYS HD3 . 11309 1 713 . 1 1 68 68 LYS HE2 H 1 2.989 0.030 . 1 . . . . 68 LYS HE2 . 11309 1 714 . 1 1 68 68 LYS HE3 H 1 2.989 0.030 . 1 . . . . 68 LYS HE3 . 11309 1 715 . 1 1 68 68 LYS HG2 H 1 1.468 0.030 . 2 . . . . 68 LYS HG2 . 11309 1 716 . 1 1 68 68 LYS HG3 H 1 1.422 0.030 . 2 . . . . 68 LYS HG3 . 11309 1 717 . 1 1 68 68 LYS C C 13 177.276 0.300 . 1 . . . . 68 LYS C . 11309 1 718 . 1 1 68 68 LYS CA C 13 56.604 0.300 . 1 . . . . 68 LYS CA . 11309 1 719 . 1 1 68 68 LYS CB C 13 32.990 0.300 . 1 . . . . 68 LYS CB . 11309 1 720 . 1 1 68 68 LYS CD C 13 29.162 0.300 . 1 . . . . 68 LYS CD . 11309 1 721 . 1 1 68 68 LYS CE C 13 42.153 0.300 . 1 . . . . 68 LYS CE . 11309 1 722 . 1 1 68 68 LYS CG C 13 24.796 0.300 . 1 . . . . 68 LYS CG . 11309 1 723 . 1 1 69 69 GLY H H 1 8.512 0.030 . 1 . . . . 69 GLY H . 11309 1 724 . 1 1 69 69 GLY HA2 H 1 3.902 0.030 . 1 . . . . 69 GLY HA2 . 11309 1 725 . 1 1 69 69 GLY HA3 H 1 3.902 0.030 . 1 . . . . 69 GLY HA3 . 11309 1 726 . 1 1 69 69 GLY C C 13 173.925 0.300 . 1 . . . . 69 GLY C . 11309 1 727 . 1 1 69 69 GLY CA C 13 45.306 0.300 . 1 . . . . 69 GLY CA . 11309 1 728 . 1 1 69 69 GLY N N 15 110.033 0.300 . 1 . . . . 69 GLY N . 11309 1 729 . 1 1 70 70 TYR H H 1 7.998 0.030 . 1 . . . . 70 TYR H . 11309 1 730 . 1 1 70 70 TYR HA H 1 4.508 0.030 . 1 . . . . 70 TYR HA . 11309 1 731 . 1 1 70 70 TYR HB2 H 1 3.011 0.030 . 2 . . . . 70 TYR HB2 . 11309 1 732 . 1 1 70 70 TYR HB3 H 1 2.934 0.030 . 2 . . . . 70 TYR HB3 . 11309 1 733 . 1 1 70 70 TYR HD1 H 1 7.073 0.030 . 1 . . . . 70 TYR HD1 . 11309 1 734 . 1 1 70 70 TYR HD2 H 1 7.073 0.030 . 1 . . . . 70 TYR HD2 . 11309 1 735 . 1 1 70 70 TYR HE1 H 1 6.828 0.030 . 1 . . . . 70 TYR HE1 . 11309 1 736 . 1 1 70 70 TYR HE2 H 1 6.828 0.030 . 1 . . . . 70 TYR HE2 . 11309 1 737 . 1 1 70 70 TYR C C 13 175.697 0.300 . 1 . . . . 70 TYR C . 11309 1 738 . 1 1 70 70 TYR CA C 13 58.083 0.300 . 1 . . . . 70 TYR CA . 11309 1 739 . 1 1 70 70 TYR CB C 13 38.820 0.300 . 1 . . . . 70 TYR CB . 11309 1 740 . 1 1 70 70 TYR CD1 C 13 133.261 0.300 . 1 . . . . 70 TYR CD1 . 11309 1 741 . 1 1 70 70 TYR CD2 C 13 133.261 0.300 . 1 . . . . 70 TYR CD2 . 11309 1 742 . 1 1 70 70 TYR CE1 C 13 118.238 0.300 . 1 . . . . 70 TYR CE1 . 11309 1 743 . 1 1 70 70 TYR CE2 C 13 118.238 0.300 . 1 . . . . 70 TYR CE2 . 11309 1 744 . 1 1 70 70 TYR N N 15 120.032 0.300 . 1 . . . . 70 TYR N . 11309 1 745 . 1 1 71 71 GLU H H 1 8.288 0.030 . 1 . . . . 71 GLU H . 11309 1 746 . 1 1 71 71 GLU HA H 1 4.215 0.030 . 1 . . . . 71 GLU HA . 11309 1 747 . 1 1 71 71 GLU HB2 H 1 1.984 0.030 . 2 . . . . 71 GLU HB2 . 11309 1 748 . 1 1 71 71 GLU HB3 H 1 1.879 0.030 . 2 . . . . 71 GLU HB3 . 11309 1 749 . 1 1 71 71 GLU HG2 H 1 2.208 0.030 . 1 . . . . 71 GLU HG2 . 11309 1 750 . 1 1 71 71 GLU HG3 H 1 2.208 0.030 . 1 . . . . 71 GLU HG3 . 11309 1 751 . 1 1 71 71 GLU C C 13 175.718 0.300 . 1 . . . . 71 GLU C . 11309 1 752 . 1 1 71 71 GLU CA C 13 56.364 0.300 . 1 . . . . 71 GLU CA . 11309 1 753 . 1 1 71 71 GLU CB C 13 30.520 0.300 . 1 . . . . 71 GLU CB . 11309 1 754 . 1 1 71 71 GLU CG C 13 36.316 0.300 . 1 . . . . 71 GLU CG . 11309 1 755 . 1 1 71 71 GLU N N 15 123.324 0.300 . 1 . . . . 71 GLU N . 11309 1 756 . 1 1 72 72 ALA H H 1 8.223 0.030 . 1 . . . . 72 ALA H . 11309 1 757 . 1 1 72 72 ALA HA H 1 4.268 0.030 . 1 . . . . 72 ALA HA . 11309 1 758 . 1 1 72 72 ALA HB1 H 1 1.403 0.030 . 1 . . . . 72 ALA HB . 11309 1 759 . 1 1 72 72 ALA HB2 H 1 1.403 0.030 . 1 . . . . 72 ALA HB . 11309 1 760 . 1 1 72 72 ALA HB3 H 1 1.403 0.030 . 1 . . . . 72 ALA HB . 11309 1 761 . 1 1 72 72 ALA C C 13 177.761 0.300 . 1 . . . . 72 ALA C . 11309 1 762 . 1 1 72 72 ALA CA C 13 52.588 0.300 . 1 . . . . 72 ALA CA . 11309 1 763 . 1 1 72 72 ALA CB C 13 19.161 0.300 . 1 . . . . 72 ALA CB . 11309 1 764 . 1 1 72 72 ALA N N 15 125.537 0.300 . 1 . . . . 72 ALA N . 11309 1 765 . 1 1 73 73 LYS H H 1 8.301 0.030 . 1 . . . . 73 LYS H . 11309 1 766 . 1 1 73 73 LYS HA H 1 4.364 0.030 . 1 . . . . 73 LYS HA . 11309 1 767 . 1 1 73 73 LYS HB2 H 1 1.880 0.030 . 2 . . . . 73 LYS HB2 . 11309 1 768 . 1 1 73 73 LYS HB3 H 1 1.768 0.030 . 2 . . . . 73 LYS HB3 . 11309 1 769 . 1 1 73 73 LYS HD2 H 1 1.675 0.030 . 1 . . . . 73 LYS HD2 . 11309 1 770 . 1 1 73 73 LYS HD3 H 1 1.675 0.030 . 1 . . . . 73 LYS HD3 . 11309 1 771 . 1 1 73 73 LYS HE2 H 1 2.989 0.030 . 1 . . . . 73 LYS HE2 . 11309 1 772 . 1 1 73 73 LYS HE3 H 1 2.989 0.030 . 1 . . . . 73 LYS HE3 . 11309 1 773 . 1 1 73 73 LYS HG2 H 1 1.438 0.030 . 1 . . . . 73 LYS HG2 . 11309 1 774 . 1 1 73 73 LYS HG3 H 1 1.438 0.030 . 1 . . . . 73 LYS HG3 . 11309 1 775 . 1 1 73 73 LYS C C 13 176.612 0.300 . 1 . . . . 73 LYS C . 11309 1 776 . 1 1 73 73 LYS CA C 13 56.276 0.300 . 1 . . . . 73 LYS CA . 11309 1 777 . 1 1 73 73 LYS CB C 13 33.090 0.300 . 1 . . . . 73 LYS CB . 11309 1 778 . 1 1 73 73 LYS CD C 13 29.055 0.300 . 1 . . . . 73 LYS CD . 11309 1 779 . 1 1 73 73 LYS CE C 13 42.235 0.300 . 1 . . . . 73 LYS CE . 11309 1 780 . 1 1 73 73 LYS CG C 13 24.607 0.300 . 1 . . . . 73 LYS CG . 11309 1 781 . 1 1 73 73 LYS N N 15 120.667 0.300 . 1 . . . . 73 LYS N . 11309 1 782 . 1 1 74 74 SER H H 1 8.297 0.030 . 1 . . . . 74 SER H . 11309 1 783 . 1 1 74 74 SER HA H 1 4.507 0.030 . 1 . . . . 74 SER HA . 11309 1 784 . 1 1 74 74 SER HB2 H 1 3.869 0.030 . 1 . . . . 74 SER HB2 . 11309 1 785 . 1 1 74 74 SER HB3 H 1 3.869 0.030 . 1 . . . . 74 SER HB3 . 11309 1 786 . 1 1 74 74 SER C C 13 174.524 0.300 . 1 . . . . 74 SER C . 11309 1 787 . 1 1 74 74 SER CA C 13 58.219 0.300 . 1 . . . . 74 SER CA . 11309 1 788 . 1 1 74 74 SER CB C 13 64.149 0.300 . 1 . . . . 74 SER CB . 11309 1 789 . 1 1 74 74 SER N N 15 116.803 0.300 . 1 . . . . 74 SER N . 11309 1 790 . 1 1 75 75 GLY H H 1 8.249 0.030 . 1 . . . . 75 GLY H . 11309 1 791 . 1 1 75 75 GLY HA2 H 1 4.140 0.030 . 1 . . . . 75 GLY HA2 . 11309 1 792 . 1 1 75 75 GLY HA3 H 1 4.140 0.030 . 1 . . . . 75 GLY HA3 . 11309 1 793 . 1 1 75 75 GLY C C 13 171.809 0.300 . 1 . . . . 75 GLY C . 11309 1 794 . 1 1 75 75 GLY CA C 13 44.739 0.300 . 1 . . . . 75 GLY CA . 11309 1 795 . 1 1 75 75 GLY N N 15 110.648 0.300 . 1 . . . . 75 GLY N . 11309 1 796 . 1 1 76 76 PRO HA H 1 4.474 0.030 . 1 . . . . 76 PRO HA . 11309 1 797 . 1 1 76 76 PRO HB2 H 1 2.297 0.030 . 2 . . . . 76 PRO HB2 . 11309 1 798 . 1 1 76 76 PRO HB3 H 1 1.978 0.030 . 2 . . . . 76 PRO HB3 . 11309 1 799 . 1 1 76 76 PRO HD2 H 1 3.623 0.030 . 1 . . . . 76 PRO HD2 . 11309 1 800 . 1 1 76 76 PRO HD3 H 1 3.623 0.030 . 1 . . . . 76 PRO HD3 . 11309 1 801 . 1 1 76 76 PRO HG2 H 1 2.019 0.030 . 1 . . . . 76 PRO HG2 . 11309 1 802 . 1 1 76 76 PRO HG3 H 1 2.019 0.030 . 1 . . . . 76 PRO HG3 . 11309 1 803 . 1 1 76 76 PRO C C 13 177.461 0.300 . 1 . . . . 76 PRO C . 11309 1 804 . 1 1 76 76 PRO CA C 13 63.297 0.300 . 1 . . . . 76 PRO CA . 11309 1 805 . 1 1 76 76 PRO CB C 13 32.158 0.300 . 1 . . . . 76 PRO CB . 11309 1 806 . 1 1 76 76 PRO CD C 13 49.814 0.300 . 1 . . . . 76 PRO CD . 11309 1 807 . 1 1 76 76 PRO CG C 13 27.160 0.300 . 1 . . . . 76 PRO CG . 11309 1 808 . 1 1 77 77 SER H H 1 8.534 0.030 . 1 . . . . 77 SER H . 11309 1 809 . 1 1 77 77 SER HA H 1 4.518 0.030 . 1 . . . . 77 SER HA . 11309 1 810 . 1 1 77 77 SER HB2 H 1 3.913 0.030 . 1 . . . . 77 SER HB2 . 11309 1 811 . 1 1 77 77 SER HB3 H 1 3.913 0.030 . 1 . . . . 77 SER HB3 . 11309 1 812 . 1 1 77 77 SER C C 13 174.717 0.300 . 1 . . . . 77 SER C . 11309 1 813 . 1 1 77 77 SER CA C 13 58.420 0.300 . 1 . . . . 77 SER CA . 11309 1 814 . 1 1 77 77 SER CB C 13 63.898 0.300 . 1 . . . . 77 SER CB . 11309 1 815 . 1 1 77 77 SER N N 15 116.363 0.300 . 1 . . . . 77 SER N . 11309 1 816 . 1 1 78 78 SER H H 1 8.327 0.030 . 1 . . . . 78 SER H . 11309 1 817 . 1 1 78 78 SER HA H 1 4.507 0.030 . 1 . . . . 78 SER HA . 11309 1 818 . 1 1 78 78 SER HB2 H 1 3.902 0.030 . 1 . . . . 78 SER HB2 . 11309 1 819 . 1 1 78 78 SER HB3 H 1 3.902 0.030 . 1 . . . . 78 SER HB3 . 11309 1 820 . 1 1 78 78 SER C C 13 173.991 0.300 . 1 . . . . 78 SER C . 11309 1 821 . 1 1 78 78 SER CA C 13 58.412 0.300 . 1 . . . . 78 SER CA . 11309 1 822 . 1 1 78 78 SER CB C 13 64.049 0.300 . 1 . . . . 78 SER CB . 11309 1 823 . 1 1 78 78 SER N N 15 117.800 0.300 . 1 . . . . 78 SER N . 11309 1 stop_ save_