################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52871 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PC1 pro 298K' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52871 1 2 '2D 1H-15N HSQC' . . . 52871 1 3 '3D 15N-separated NOESY' . . . 52871 1 4 '2D 1H-1H NOESY' . . . 52871 1 5 '2D 1H-13C HSQC aliphatic' . . . 52871 1 6 '2D 1H-13C HSQC aromatic' . . . 52871 1 7 '3D HNCA' . . . 52871 1 8 '3D CBCA(CO)NH' . . . 52871 1 9 '3D HNCO' . . . 52871 1 10 '3D HNCACB' . . . 52871 1 11 '3D HN(CA)CO' . . . 52871 1 12 '3D CCH-TOCSY' . . . 52871 1 13 '3D 13C-separated NOESY' . . . 52871 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 2 $software_2 . . 52871 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LYS HA H 1 4.317 0.010 . 1 . . . . . 28 LYS HA . 52871 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.852 0.003 . 2 . . . . . 28 LYS HB2 . 52871 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.724 0.004 . 2 . . . . . 28 LYS HB3 . 52871 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.434 0.001 . 1 . . . . . 28 LYS QG . 52871 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.434 0.001 . 1 . . . . . 28 LYS QG . 52871 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.672 0.004 . 1 . . . . . 28 LYS QD . 52871 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.672 0.004 . 1 . . . . . 28 LYS QD . 52871 1 8 . 1 . 1 1 1 LYS HE2 H 1 2.978 0.004 . 1 . . . . . 28 LYS QE . 52871 1 9 . 1 . 1 1 1 LYS HE3 H 1 2.978 0.004 . 1 . . . . . 28 LYS QE . 52871 1 10 . 1 . 1 1 1 LYS CA C 13 56.355 0.026 . 1 . . . . . 28 LYS CA . 52871 1 11 . 1 . 1 1 1 LYS CB C 13 33.147 0.071 . 1 . . . . . 28 LYS CB . 52871 1 12 . 1 . 1 1 1 LYS CG C 13 24.791 0.026 . 1 . . . . . 28 LYS CG . 52871 1 13 . 1 . 1 1 1 LYS CD C 13 29.149 0.022 . 1 . . . . . 28 LYS CD . 52871 1 14 . 1 . 1 1 1 LYS CE C 13 42.113 0.024 . 1 . . . . . 28 LYS CE . 52871 1 15 . 1 . 1 2 2 ARG H H 1 8.303 0.002 . 1 . . . . . 29 ARG H . 52871 1 16 . 1 . 1 2 2 ARG HA H 1 4.230 0.004 . 1 . . . . . 29 ARG HA . 52871 1 17 . 1 . 1 2 2 ARG HB2 H 1 1.312 0.000 . 2 . . . . . 29 ARG HB2 . 52871 1 18 . 1 . 1 2 2 ARG HB3 H 1 1.398 0.005 . 1 . . . . . 29 ARG HB3 . 52871 1 19 . 1 . 1 2 2 ARG HG2 H 1 1.315 0.000 . 2 . . . . . 29 ARG HG2 . 52871 1 20 . 1 . 1 2 2 ARG HG3 H 1 1.111 0.004 . 2 . . . . . 29 ARG HG3 . 52871 1 21 . 1 . 1 2 2 ARG HD2 H 1 2.587 0.001 . 2 . . . . . 29 ARG HD2 . 52871 1 22 . 1 . 1 2 2 ARG HD3 H 1 2.389 0.003 . 2 . . . . . 29 ARG HD3 . 52871 1 23 . 1 . 1 2 2 ARG C C 13 175.474 0.003 . 1 . . . . . 29 ARG C . 52871 1 24 . 1 . 1 2 2 ARG CA C 13 56.208 0.059 . 1 . . . . . 29 ARG CA . 52871 1 25 . 1 . 1 2 2 ARG CB C 13 31.525 0.068 . 1 . . . . . 29 ARG CB . 52871 1 26 . 1 . 1 2 2 ARG CG C 13 26.489 0.048 . 1 . . . . . 29 ARG CG . 52871 1 27 . 1 . 1 2 2 ARG CD C 13 43.272 0.041 . 1 . . . . . 29 ARG CD . 52871 1 28 . 1 . 1 2 2 ARG N N 15 122.305 0.040 . 1 . . . . . 29 ARG N . 52871 1 29 . 1 . 1 3 3 GLN H H 1 8.690 0.002 . 1 . . . . . 30 GLN H . 52871 1 30 . 1 . 1 3 3 GLN HA H 1 4.434 0.001 . 1 . . . . . 30 GLN HA . 52871 1 31 . 1 . 1 3 3 GLN HB2 H 1 2.063 0.025 . 2 . . . . . 30 GLN HB2 . 52871 1 32 . 1 . 1 3 3 GLN HG2 H 1 2.351 0.005 . 2 . . . . . 30 GLN HG2 . 52871 1 33 . 1 . 1 3 3 GLN HG3 H 1 2.083 0.002 . 2 . . . . . 30 GLN HG3 . 52871 1 34 . 1 . 1 3 3 GLN HE21 H 1 7.383 0.001 . 2 . . . . . 30 GLN HE21 . 52871 1 35 . 1 . 1 3 3 GLN HE22 H 1 6.522 0.000 . 2 . . . . . 30 GLN HE22 . 52871 1 36 . 1 . 1 3 3 GLN C C 13 175.162 0.001 . 1 . . . . . 30 GLN C . 52871 1 37 . 1 . 1 3 3 GLN CA C 13 55.137 0.068 . 1 . . . . . 30 GLN CA . 52871 1 38 . 1 . 1 3 3 GLN CB C 13 29.845 0.039 . 1 . . . . . 30 GLN CB . 52871 1 39 . 1 . 1 3 3 GLN CG C 13 34.215 0.201 . 1 . . . . . 30 GLN CG . 52871 1 40 . 1 . 1 3 3 GLN N N 15 121.591 0.032 . 1 . . . . . 30 GLN N . 52871 1 41 . 1 . 1 3 3 GLN NE2 N 15 109.327 0.025 . 1 . . . . . 30 GLN NE2 . 52871 1 42 . 1 . 1 4 4 PHE H H 1 8.929 0.005 . 1 . . . . . 31 PHE H . 52871 1 43 . 1 . 1 4 4 PHE HA H 1 4.514 0.003 . 1 . . . . . 31 PHE HA . 52871 1 44 . 1 . 1 4 4 PHE HB2 H 1 2.981 0.006 . 2 . . . . . 31 PHE HB2 . 52871 1 45 . 1 . 1 4 4 PHE HB3 H 1 2.679 0.004 . 2 . . . . . 31 PHE HB3 . 52871 1 46 . 1 . 1 4 4 PHE HD1 H 1 6.745 0.011 . 1 . . . . . 31 PHE QD . 52871 1 47 . 1 . 1 4 4 PHE HD2 H 1 6.745 0.011 . 1 . . . . . 31 PHE QD . 52871 1 48 . 1 . 1 4 4 PHE HE1 H 1 7.163 0.005 . 1 . . . . . 31 PHE QE . 52871 1 49 . 1 . 1 4 4 PHE HE2 H 1 7.163 0.005 . 1 . . . . . 31 PHE QE . 52871 1 50 . 1 . 1 4 4 PHE HZ H 1 7.222 0.005 . 1 . . . . . 31 PHE HZ . 52871 1 51 . 1 . 1 4 4 PHE C C 13 177.257 0.004 . 1 . . . . . 31 PHE C . 52871 1 52 . 1 . 1 4 4 PHE CA C 13 59.427 0.035 . 1 . . . . . 31 PHE CA . 52871 1 53 . 1 . 1 4 4 PHE CB C 13 40.533 0.092 . 1 . . . . . 31 PHE CB . 52871 1 54 . 1 . 1 4 4 PHE CD1 C 13 131.364 0.000 . 1 . . . . . 31 PHE CD . 52871 1 55 . 1 . 1 4 4 PHE CD2 C 13 131.364 0.000 . 1 . . . . . 31 PHE CD . 52871 1 56 . 1 . 1 4 4 PHE CE1 C 13 131.365 0.000 . 1 . . . . . 31 PHE CE . 52871 1 57 . 1 . 1 4 4 PHE CE2 C 13 131.365 0.000 . 1 . . . . . 31 PHE CE . 52871 1 58 . 1 . 1 4 4 PHE CZ C 13 129.613 0.000 . 1 . . . . . 31 PHE CZ . 52871 1 59 . 1 . 1 4 4 PHE N N 15 121.231 0.033 . 1 . . . . . 31 PHE N . 52871 1 60 . 1 . 1 5 5 VAL H H 1 8.463 0.005 . 1 . . . . . 32 VAL H . 52871 1 61 . 1 . 1 5 5 VAL HA H 1 5.595 0.003 . 1 . . . . . 32 VAL HA . 52871 1 62 . 1 . 1 5 5 VAL HB H 1 2.092 0.004 . 1 . . . . . 32 VAL HB . 52871 1 63 . 1 . 1 5 5 VAL HG11 H 1 0.963 0.002 . 2 . . . . . 32 VAL QG1 . 52871 1 64 . 1 . 1 5 5 VAL HG12 H 1 0.963 0.002 . 2 . . . . . 32 VAL QG1 . 52871 1 65 . 1 . 1 5 5 VAL HG13 H 1 0.963 0.002 . 2 . . . . . 32 VAL QG1 . 52871 1 66 . 1 . 1 5 5 VAL HG21 H 1 0.718 0.005 . 2 . . . . . 32 VAL QG2 . 52871 1 67 . 1 . 1 5 5 VAL HG22 H 1 0.718 0.005 . 2 . . . . . 32 VAL QG2 . 52871 1 68 . 1 . 1 5 5 VAL HG23 H 1 0.718 0.005 . 2 . . . . . 32 VAL QG2 . 52871 1 69 . 1 . 1 5 5 VAL C C 13 176.885 0.005 . 1 . . . . . 32 VAL C . 52871 1 70 . 1 . 1 5 5 VAL CA C 13 58.625 0.105 . 1 . . . . . 32 VAL CA . 52871 1 71 . 1 . 1 5 5 VAL CB C 13 34.979 0.053 . 1 . . . . . 32 VAL CB . 52871 1 72 . 1 . 1 5 5 VAL CG1 C 13 21.374 0.018 . 2 . . . . . 32 VAL CG1 . 52871 1 73 . 1 . 1 5 5 VAL CG2 C 13 19.841 0.033 . 2 . . . . . 32 VAL CG2 . 52871 1 74 . 1 . 1 5 5 VAL N N 15 117.402 0.040 . 1 . . . . . 32 VAL N . 52871 1 75 . 1 . 1 6 6 ASN H H 1 8.120 0.004 . 1 . . . . . 33 ASN H . 52871 1 76 . 1 . 1 6 6 ASN HA H 1 4.671 0.005 . 1 . . . . . 33 ASN HA . 52871 1 77 . 1 . 1 6 6 ASN HB2 H 1 3.385 0.009 . 2 . . . . . 33 ASN HB2 . 52871 1 78 . 1 . 1 6 6 ASN HB3 H 1 3.281 0.007 . 2 . . . . . 33 ASN HB3 . 52871 1 79 . 1 . 1 6 6 ASN HD21 H 1 7.475 0.005 . 2 . . . . . 33 ASN HD21 . 52871 1 80 . 1 . 1 6 6 ASN HD22 H 1 7.091 0.002 . 2 . . . . . 33 ASN HD22 . 52871 1 81 . 1 . 1 6 6 ASN C C 13 175.234 0.002 . 1 . . . . . 33 ASN C . 52871 1 82 . 1 . 1 6 6 ASN CA C 13 52.993 0.022 . 1 . . . . . 33 ASN CA . 52871 1 83 . 1 . 1 6 6 ASN CB C 13 35.950 0.039 . 1 . . . . . 33 ASN CB . 52871 1 84 . 1 . 1 6 6 ASN N N 15 123.454 0.044 . 1 . . . . . 33 ASN N . 52871 1 85 . 1 . 1 6 6 ASN ND2 N 15 110.829 0.034 . 1 . . . . . 33 ASN ND2 . 52871 1 86 . 1 . 1 7 7 GLU H H 1 7.430 0.004 . 1 . . . . . 34 GLU H . 52871 1 87 . 1 . 1 7 7 GLU HA H 1 5.808 0.006 . 1 . . . . . 34 GLU HA . 52871 1 88 . 1 . 1 7 7 GLU HB2 H 1 2.017 0.000 . 2 . . . . . 34 GLU HB2 . 52871 1 89 . 1 . 1 7 7 GLU HB3 H 1 1.916 0.003 . 2 . . . . . 34 GLU HB3 . 52871 1 90 . 1 . 1 7 7 GLU HG2 H 1 2.167 0.006 . 1 . . . . . 34 GLU QG . 52871 1 91 . 1 . 1 7 7 GLU HG3 H 1 2.167 0.006 . 1 . . . . . 34 GLU QG . 52871 1 92 . 1 . 1 7 7 GLU C C 13 174.250 0.001 . 1 . . . . . 34 GLU C . 52871 1 93 . 1 . 1 7 7 GLU CA C 13 54.350 0.051 . 1 . . . . . 34 GLU CA . 52871 1 94 . 1 . 1 7 7 GLU CB C 13 33.141 0.028 . 1 . . . . . 34 GLU CB . 52871 1 95 . 1 . 1 7 7 GLU CG C 13 36.239 0.065 . 1 . . . . . 34 GLU CG . 52871 1 96 . 1 . 1 7 7 GLU N N 15 116.320 0.048 . 1 . . . . . 34 GLU N . 52871 1 97 . 1 . 1 8 8 TRP H H 1 9.702 0.005 . 1 . . . . . 35 TRP H . 52871 1 98 . 1 . 1 8 8 TRP HA H 1 5.012 0.003 . 1 . . . . . 35 TRP HA . 52871 1 99 . 1 . 1 8 8 TRP HB2 H 1 2.848 0.005 . 2 . . . . . 35 TRP HB2 . 52871 1 100 . 1 . 1 8 8 TRP HB3 H 1 2.652 0.005 . 2 . . . . . 35 TRP HB3 . 52871 1 101 . 1 . 1 8 8 TRP HD1 H 1 6.530 0.002 . 1 . . . . . 35 TRP HD1 . 52871 1 102 . 1 . 1 8 8 TRP HE1 H 1 10.783 0.004 . 1 . . . . . 35 TRP HE1 . 52871 1 103 . 1 . 1 8 8 TRP HE3 H 1 7.442 0.004 . 1 . . . . . 35 TRP HE3 . 52871 1 104 . 1 . 1 8 8 TRP HZ2 H 1 7.082 0.004 . 1 . . . . . 35 TRP HZ2 . 52871 1 105 . 1 . 1 8 8 TRP HZ3 H 1 6.592 0.003 . 1 . . . . . 35 TRP HZ3 . 52871 1 106 . 1 . 1 8 8 TRP HH2 H 1 6.161 0.003 . 1 . . . . . 35 TRP HH2 . 52871 1 107 . 1 . 1 8 8 TRP C C 13 174.551 0.005 . 1 . . . . . 35 TRP C . 52871 1 108 . 1 . 1 8 8 TRP CA C 13 58.333 0.082 . 1 . . . . . 35 TRP CA . 52871 1 109 . 1 . 1 8 8 TRP CB C 13 35.444 0.051 . 1 . . . . . 35 TRP CB . 52871 1 110 . 1 . 1 8 8 TRP CD1 C 13 124.467 0.000 . 1 . . . . . 35 TRP CD1 . 52871 1 111 . 1 . 1 8 8 TRP CE3 C 13 120.795 0.000 . 1 . . . . . 35 TRP CE3 . 52871 1 112 . 1 . 1 8 8 TRP CZ2 C 13 114.079 0.000 . 1 . . . . . 35 TRP CZ2 . 52871 1 113 . 1 . 1 8 8 TRP CZ3 C 13 120.686 0.071 . 1 . . . . . 35 TRP CZ3 . 52871 1 114 . 1 . 1 8 8 TRP CH2 C 13 123.564 0.000 . 1 . . . . . 35 TRP CH2 . 52871 1 115 . 1 . 1 8 8 TRP N N 15 123.696 0.028 . 1 . . . . . 35 TRP N . 52871 1 116 . 1 . 1 8 8 TRP NE1 N 15 131.246 0.025 . 1 . . . . . 35 TRP NE1 . 52871 1 117 . 1 . 1 9 9 ALA H H 1 8.604 0.005 . 1 . . . . . 36 ALA H . 52871 1 118 . 1 . 1 9 9 ALA HA H 1 5.643 0.003 . 1 . . . . . 36 ALA HA . 52871 1 119 . 1 . 1 9 9 ALA HB1 H 1 1.476 0.005 . 1 . . . . . 36 ALA HB# . 52871 1 120 . 1 . 1 9 9 ALA HB2 H 1 1.476 0.005 . 1 . . . . . 36 ALA HB# . 52871 1 121 . 1 . 1 9 9 ALA HB3 H 1 1.476 0.005 . 1 . . . . . 36 ALA HB# . 52871 1 122 . 1 . 1 9 9 ALA C C 13 176.529 0.003 . 1 . . . . . 36 ALA C . 52871 1 123 . 1 . 1 9 9 ALA CA C 13 50.000 0.039 . 1 . . . . . 36 ALA CA . 52871 1 124 . 1 . 1 9 9 ALA CB C 13 22.426 0.017 . 1 . . . . . 36 ALA CB . 52871 1 125 . 1 . 1 9 9 ALA N N 15 124.476 0.033 . 1 . . . . . 36 ALA N . 52871 1 126 . 1 . 1 10 10 ALA H H 1 9.065 0.005 . 1 . . . . . 37 ALA H . 52871 1 127 . 1 . 1 10 10 ALA HA H 1 4.850 0.007 . 1 . . . . . 37 ALA HA . 52871 1 128 . 1 . 1 10 10 ALA HB1 H 1 1.233 0.006 . 1 . . . . . 37 ALA HB# . 52871 1 129 . 1 . 1 10 10 ALA HB2 H 1 1.233 0.006 . 1 . . . . . 37 ALA HB# . 52871 1 130 . 1 . 1 10 10 ALA HB3 H 1 1.233 0.006 . 1 . . . . . 37 ALA HB# . 52871 1 131 . 1 . 1 10 10 ALA C C 13 175.065 0.011 . 1 . . . . . 37 ALA C . 52871 1 132 . 1 . 1 10 10 ALA CA C 13 51.262 0.055 . 1 . . . . . 37 ALA CA . 52871 1 133 . 1 . 1 10 10 ALA CB C 13 22.949 0.018 . 1 . . . . . 37 ALA CB . 52871 1 134 . 1 . 1 10 10 ALA N N 15 120.537 0.031 . 1 . . . . . 37 ALA N . 52871 1 135 . 1 . 1 11 11 GLU H H 1 7.638 0.005 . 1 . . . . . 38 GLU H . 52871 1 136 . 1 . 1 11 11 GLU HB2 H 1 1.633 0.009 . 2 . . . . . 38 GLU HB2 . 52871 1 137 . 1 . 1 11 11 GLU HB3 H 1 1.209 0.011 . 2 . . . . . 38 GLU HB3 . 52871 1 138 . 1 . 1 11 11 GLU HG2 H 1 1.824 0.009 . 1 . . . . . 38 GLU QG . 52871 1 139 . 1 . 1 11 11 GLU HG3 H 1 1.824 0.009 . 1 . . . . . 38 GLU QG . 52871 1 140 . 1 . 1 11 11 GLU C C 13 175.344 0.008 . 1 . . . . . 38 GLU C . 52871 1 141 . 1 . 1 11 11 GLU CA C 13 54.771 0.052 . 1 . . . . . 38 GLU CA . 52871 1 142 . 1 . 1 11 11 GLU CB C 13 30.880 0.083 . 1 . . . . . 38 GLU CB . 52871 1 143 . 1 . 1 11 11 GLU CG C 13 36.242 0.042 . 1 . . . . . 38 GLU CG . 52871 1 144 . 1 . 1 11 11 GLU N N 15 122.811 0.038 . 1 . . . . . 38 GLU N . 52871 1 145 . 1 . 1 12 12 ILE H H 1 8.774 0.004 . 1 . . . . . 39 ILE H . 52871 1 146 . 1 . 1 12 12 ILE HA H 1 5.073 0.007 . 1 . . . . . 39 ILE HA . 52871 1 147 . 1 . 1 12 12 ILE HB H 1 2.059 0.005 . 1 . . . . . 39 ILE HB . 52871 1 148 . 1 . 1 12 12 ILE HG12 H 1 1.483 0.011 . 2 . . . . . 39 ILE HG12 . 52871 1 149 . 1 . 1 12 12 ILE HG13 H 1 1.134 0.008 . 2 . . . . . 39 ILE HG13 . 52871 1 150 . 1 . 1 12 12 ILE HG21 H 1 0.786 0.012 . 1 . . . . . 39 ILE QG2 . 52871 1 151 . 1 . 1 12 12 ILE HG22 H 1 0.786 0.012 . 1 . . . . . 39 ILE QG2 . 52871 1 152 . 1 . 1 12 12 ILE HG23 H 1 0.786 0.012 . 1 . . . . . 39 ILE QG2 . 52871 1 153 . 1 . 1 12 12 ILE HD11 H 1 0.827 0.005 . 1 . . . . . 39 ILE QD1 . 52871 1 154 . 1 . 1 12 12 ILE HD12 H 1 0.827 0.005 . 1 . . . . . 39 ILE QD1 . 52871 1 155 . 1 . 1 12 12 ILE HD13 H 1 0.827 0.005 . 1 . . . . . 39 ILE QD1 . 52871 1 156 . 1 . 1 12 12 ILE C C 13 173.492 0.000 . 1 . . . . . 39 ILE C . 52871 1 157 . 1 . 1 12 12 ILE CA C 13 57.800 0.029 . 1 . . . . . 39 ILE CA . 52871 1 158 . 1 . 1 12 12 ILE CB C 13 40.389 0.022 . 1 . . . . . 39 ILE CB . 52871 1 159 . 1 . 1 12 12 ILE CG1 C 13 27.380 0.048 . 1 . . . . . 39 ILE CG1 . 52871 1 160 . 1 . 1 12 12 ILE CG2 C 13 18.011 0.017 . 1 . . . . . 39 ILE CG2 . 52871 1 161 . 1 . 1 12 12 ILE CD1 C 13 15.115 0.019 . 1 . . . . . 39 ILE CD1 . 52871 1 162 . 1 . 1 12 12 ILE N N 15 128.448 0.044 . 1 . . . . . 39 ILE N . 52871 1 163 . 1 . 1 13 13 PRO HA H 1 4.399 0.003 . 1 . . . . . 40 PRO HA . 52871 1 164 . 1 . 1 13 13 PRO HB2 H 1 2.441 0.007 . 2 . . . . . 40 PRO HB2 . 52871 1 165 . 1 . 1 13 13 PRO HB3 H 1 2.005 0.009 . 2 . . . . . 40 PRO HB3 . 52871 1 166 . 1 . 1 13 13 PRO HG2 H 1 2.107 0.003 . 2 . . . . . 40 PRO HG2 . 52871 1 167 . 1 . 1 13 13 PRO HG3 H 1 2.011 0.005 . 2 . . . . . 40 PRO HG3 . 52871 1 168 . 1 . 1 13 13 PRO HD2 H 1 4.147 0.003 . 2 . . . . . 40 PRO HD2 . 52871 1 169 . 1 . 1 13 13 PRO HD3 H 1 3.616 0.004 . 2 . . . . . 40 PRO HD3 . 52871 1 170 . 1 . 1 13 13 PRO C C 13 177.511 0.012 . 1 . . . . . 40 PRO C . 52871 1 171 . 1 . 1 13 13 PRO CA C 13 64.292 0.039 . 1 . . . . . 40 PRO CA . 52871 1 172 . 1 . 1 13 13 PRO CB C 13 32.029 0.053 . 1 . . . . . 40 PRO CB . 52871 1 173 . 1 . 1 13 13 PRO CG C 13 27.466 0.049 . 1 . . . . . 40 PRO CG . 52871 1 174 . 1 . 1 13 13 PRO CD C 13 51.071 0.001 . 1 . . . . . 40 PRO CD . 52871 1 175 . 1 . 1 14 14 GLY H H 1 9.344 0.004 . 1 . . . . . 41 GLY H . 52871 1 176 . 1 . 1 14 14 GLY HA2 H 1 4.048 0.003 . 2 . . . . . 41 GLY HA2 . 52871 1 177 . 1 . 1 14 14 GLY HA3 H 1 3.690 0.005 . 2 . . . . . 41 GLY HA3 . 52871 1 178 . 1 . 1 14 14 GLY C C 13 175.054 0.002 . 1 . . . . . 41 GLY C . 52871 1 179 . 1 . 1 14 14 GLY CA C 13 45.468 0.037 . 1 . . . . . 41 GLY CA . 52871 1 180 . 1 . 1 14 14 GLY N N 15 105.679 0.041 . 1 . . . . . 41 GLY N . 52871 1 181 . 1 . 1 15 15 GLY H H 1 7.987 0.001 . 1 . . . . . 42 GLY H . 52871 1 182 . 1 . 1 15 15 GLY HA2 H 1 4.588 0.007 . 2 . . . . . 42 GLY HA2 . 52871 1 183 . 1 . 1 15 15 GLY HA3 H 1 4.250 0.009 . 2 . . . . . 42 GLY HA3 . 52871 1 184 . 1 . 1 15 15 GLY C C 13 172.413 0.000 . 1 . . . . . 42 GLY C . 52871 1 185 . 1 . 1 15 15 GLY CA C 13 45.330 0.075 . 1 . . . . . 42 GLY CA . 52871 1 186 . 1 . 1 15 15 GLY N N 15 109.207 0.036 . 1 . . . . . 42 GLY N . 52871 1 187 . 1 . 1 16 16 PRO HA H 1 3.896 0.006 . 1 . . . . . 43 PRO HA . 52871 1 188 . 1 . 1 16 16 PRO HB2 H 1 2.424 0.004 . 2 . . . . . 43 PRO HB2 . 52871 1 189 . 1 . 1 16 16 PRO HB3 H 1 2.032 0.004 . 2 . . . . . 43 PRO HB3 . 52871 1 190 . 1 . 1 16 16 PRO HG2 H 1 2.221 0.005 . 1 . . . . . 43 PRO QG . 52871 1 191 . 1 . 1 16 16 PRO HG3 H 1 2.221 0.005 . 1 . . . . . 43 PRO QG . 52871 1 192 . 1 . 1 16 16 PRO HD2 H 1 3.974 0.002 . 2 . . . . . 43 PRO HD2 . 52871 1 193 . 1 . 1 16 16 PRO HD3 H 1 3.764 0.003 . 2 . . . . . 43 PRO HD3 . 52871 1 194 . 1 . 1 16 16 PRO C C 13 179.463 0.000 . 1 . . . . . 43 PRO C . 52871 1 195 . 1 . 1 16 16 PRO CA C 13 65.380 0.064 . 1 . . . . . 43 PRO CA . 52871 1 196 . 1 . 1 16 16 PRO CB C 13 31.845 0.063 . 1 . . . . . 43 PRO CB . 52871 1 197 . 1 . 1 16 16 PRO CG C 13 27.510 0.042 . 1 . . . . . 43 PRO CG . 52871 1 198 . 1 . 1 16 16 PRO CD C 13 50.070 0.017 . 1 . . . . . 43 PRO CD . 52871 1 199 . 1 . 1 17 17 GLU H H 1 9.012 0.003 . 1 . . . . . 44 GLU H . 52871 1 200 . 1 . 1 17 17 GLU HA H 1 4.074 0.006 . 1 . . . . . 44 GLU HA . 52871 1 201 . 1 . 1 17 17 GLU HB2 H 1 2.025 0.003 . 2 . . . . . 44 GLU HB2 . 52871 1 202 . 1 . 1 17 17 GLU HB3 H 1 1.985 0.002 . 2 . . . . . 44 GLU HB3 . 52871 1 203 . 1 . 1 17 17 GLU HG2 H 1 2.313 0.008 . 1 . . . . . 44 GLU QG . 52871 1 204 . 1 . 1 17 17 GLU HG3 H 1 2.313 0.008 . 1 . . . . . 44 GLU QG . 52871 1 205 . 1 . 1 17 17 GLU C C 13 179.635 0.017 . 1 . . . . . 44 GLU C . 52871 1 206 . 1 . 1 17 17 GLU CA C 13 59.553 0.111 . 1 . . . . . 44 GLU CA . 52871 1 207 . 1 . 1 17 17 GLU CB C 13 28.728 0.104 . 1 . . . . . 44 GLU CB . 52871 1 208 . 1 . 1 17 17 GLU CG C 13 36.595 0.044 . 1 . . . . . 44 GLU CG . 52871 1 209 . 1 . 1 17 17 GLU N N 15 118.730 0.052 . 1 . . . . . 44 GLU N . 52871 1 210 . 1 . 1 18 18 ALA H H 1 7.024 0.001 . 1 . . . . . 45 ALA H . 52871 1 211 . 1 . 1 18 18 ALA HA H 1 4.192 0.004 . 1 . . . . . 45 ALA HA . 52871 1 212 . 1 . 1 18 18 ALA HB1 H 1 1.261 0.004 . 1 . . . . . 45 ALA HB# . 52871 1 213 . 1 . 1 18 18 ALA HB2 H 1 1.261 0.004 . 1 . . . . . 45 ALA HB# . 52871 1 214 . 1 . 1 18 18 ALA HB3 H 1 1.261 0.004 . 1 . . . . . 45 ALA HB# . 52871 1 215 . 1 . 1 18 18 ALA C C 13 178.713 0.001 . 1 . . . . . 45 ALA C . 52871 1 216 . 1 . 1 18 18 ALA CA C 13 54.426 0.032 . 1 . . . . . 45 ALA CA . 52871 1 217 . 1 . 1 18 18 ALA CB C 13 17.803 0.030 . 1 . . . . . 45 ALA CB . 52871 1 218 . 1 . 1 18 18 ALA N N 15 123.477 0.050 . 1 . . . . . 45 ALA N . 52871 1 219 . 1 . 1 19 19 ALA H H 1 7.801 0.001 . 1 . . . . . 46 ALA H . 52871 1 220 . 1 . 1 19 19 ALA HA H 1 3.828 0.004 . 1 . . . . . 46 ALA HA . 52871 1 221 . 1 . 1 19 19 ALA HB1 H 1 0.543 0.004 . 1 . . . . . 46 ALA HB# . 52871 1 222 . 1 . 1 19 19 ALA HB2 H 1 0.543 0.004 . 1 . . . . . 46 ALA HB# . 52871 1 223 . 1 . 1 19 19 ALA HB3 H 1 0.543 0.004 . 1 . . . . . 46 ALA HB# . 52871 1 224 . 1 . 1 19 19 ALA C C 13 178.838 0.011 . 1 . . . . . 46 ALA C . 52871 1 225 . 1 . 1 19 19 ALA CA C 13 55.585 0.065 . 1 . . . . . 46 ALA CA . 52871 1 226 . 1 . 1 19 19 ALA CB C 13 17.210 0.035 . 1 . . . . . 46 ALA CB . 52871 1 227 . 1 . 1 19 19 ALA N N 15 119.649 0.037 . 1 . . . . . 46 ALA N . 52871 1 228 . 1 . 1 20 20 SER H H 1 8.074 0.002 . 1 . . . . . 47 SER H . 52871 1 229 . 1 . 1 20 20 SER HA H 1 4.009 0.005 . 1 . . . . . 47 SER HA . 52871 1 230 . 1 . 1 20 20 SER HB2 H 1 3.881 0.005 . 1 . . . . . 47 SER HB# . 52871 1 231 . 1 . 1 20 20 SER HB3 H 1 3.881 0.005 . 1 . . . . . 47 SER HB# . 52871 1 232 . 1 . 1 20 20 SER C C 13 176.515 0.000 . 1 . . . . . 47 SER C . 52871 1 233 . 1 . 1 20 20 SER CA C 13 61.861 0.036 . 1 . . . . . 47 SER CA . 52871 1 234 . 1 . 1 20 20 SER CB C 13 62.763 0.062 . 1 . . . . . 47 SER CB . 52871 1 235 . 1 . 1 20 20 SER N N 15 111.723 0.043 . 1 . . . . . 47 SER N . 52871 1 236 . 1 . 1 21 21 ALA H H 1 7.478 0.002 . 1 . . . . . 48 ALA H . 52871 1 237 . 1 . 1 21 21 ALA HA H 1 4.203 0.004 . 1 . . . . . 48 ALA HA . 52871 1 238 . 1 . 1 21 21 ALA HB1 H 1 1.484 0.004 . 1 . . . . . 48 ALA HB# . 52871 1 239 . 1 . 1 21 21 ALA HB2 H 1 1.484 0.004 . 1 . . . . . 48 ALA HB# . 52871 1 240 . 1 . 1 21 21 ALA HB3 H 1 1.484 0.004 . 1 . . . . . 48 ALA HB# . 52871 1 241 . 1 . 1 21 21 ALA C C 13 179.892 0.002 . 1 . . . . . 48 ALA C . 52871 1 242 . 1 . 1 21 21 ALA CA C 13 55.317 0.072 . 1 . . . . . 48 ALA CA . 52871 1 243 . 1 . 1 21 21 ALA CB C 13 18.081 0.039 . 1 . . . . . 48 ALA CB . 52871 1 244 . 1 . 1 21 21 ALA N N 15 125.251 0.036 . 1 . . . . . 48 ALA N . 52871 1 245 . 1 . 1 22 22 ILE H H 1 8.164 0.002 . 1 . . . . . 49 ILE H . 52871 1 246 . 1 . 1 22 22 ILE HA H 1 3.354 0.005 . 1 . . . . . 49 ILE HA . 52871 1 247 . 1 . 1 22 22 ILE HB H 1 1.690 0.005 . 1 . . . . . 49 ILE HB . 52871 1 248 . 1 . 1 22 22 ILE HG12 H 1 1.488 0.000 . 2 . . . . . 49 ILE HG12 . 52871 1 249 . 1 . 1 22 22 ILE HG13 H 1 0.754 0.006 . 2 . . . . . 49 ILE HG13 . 52871 1 250 . 1 . 1 22 22 ILE HG21 H 1 0.303 0.003 . 1 . . . . . 49 ILE QG2 . 52871 1 251 . 1 . 1 22 22 ILE HG22 H 1 0.303 0.003 . 1 . . . . . 49 ILE QG2 . 52871 1 252 . 1 . 1 22 22 ILE HG23 H 1 0.303 0.003 . 1 . . . . . 49 ILE QG2 . 52871 1 253 . 1 . 1 22 22 ILE HD11 H 1 0.575 0.004 . 1 . . . . . 49 ILE QD1 . 52871 1 254 . 1 . 1 22 22 ILE HD12 H 1 0.575 0.004 . 1 . . . . . 49 ILE QD1 . 52871 1 255 . 1 . 1 22 22 ILE HD13 H 1 0.575 0.004 . 1 . . . . . 49 ILE QD1 . 52871 1 256 . 1 . 1 22 22 ILE C C 13 177.313 0.014 . 1 . . . . . 49 ILE C . 52871 1 257 . 1 . 1 22 22 ILE CA C 13 64.964 0.025 . 1 . . . . . 49 ILE CA . 52871 1 258 . 1 . 1 22 22 ILE CB C 13 38.195 0.036 . 1 . . . . . 49 ILE CB . 52871 1 259 . 1 . 1 22 22 ILE CG1 C 13 28.724 0.039 . 1 . . . . . 49 ILE CG1 . 52871 1 260 . 1 . 1 22 22 ILE CG2 C 13 17.224 0.014 . 1 . . . . . 49 ILE CG2 . 52871 1 261 . 1 . 1 22 22 ILE CD1 C 13 15.638 0.000 . 1 . . . . . 49 ILE CD1 . 52871 1 262 . 1 . 1 22 22 ILE N N 15 119.671 0.030 . 1 . . . . . 49 ILE N . 52871 1 263 . 1 . 1 23 23 ALA H H 1 7.902 0.003 . 1 . . . . . 50 ALA H . 52871 1 264 . 1 . 1 23 23 ALA HA H 1 3.802 0.005 . 1 . . . . . 50 ALA HA . 52871 1 265 . 1 . 1 23 23 ALA HB1 H 1 1.579 0.006 . 1 . . . . . 50 ALA HB# . 52871 1 266 . 1 . 1 23 23 ALA HB2 H 1 1.579 0.006 . 1 . . . . . 50 ALA HB# . 52871 1 267 . 1 . 1 23 23 ALA HB3 H 1 1.579 0.006 . 1 . . . . . 50 ALA HB# . 52871 1 268 . 1 . 1 23 23 ALA C C 13 179.498 0.004 . 1 . . . . . 50 ALA C . 52871 1 269 . 1 . 1 23 23 ALA CA C 13 56.084 0.056 . 1 . . . . . 50 ALA CA . 52871 1 270 . 1 . 1 23 23 ALA CB C 13 17.747 0.015 . 1 . . . . . 50 ALA CB . 52871 1 271 . 1 . 1 23 23 ALA N N 15 120.504 0.028 . 1 . . . . . 50 ALA N . 52871 1 272 . 1 . 1 24 24 GLU H H 1 7.863 0.002 . 1 . . . . . 51 GLU H . 52871 1 273 . 1 . 1 24 24 GLU HA H 1 4.072 0.002 . 1 . . . . . 51 GLU HA . 52871 1 274 . 1 . 1 24 24 GLU HB2 H 1 2.175 0.003 . 2 . . . . . 51 GLU HB2 . 52871 1 275 . 1 . 1 24 24 GLU HB3 H 1 2.101 0.008 . 2 . . . . . 51 GLU HB3 . 52871 1 276 . 1 . 1 24 24 GLU HG2 H 1 2.322 0.003 . 1 . . . . . 51 GLU QG . 52871 1 277 . 1 . 1 24 24 GLU HG3 H 1 2.322 0.003 . 1 . . . . . 51 GLU QG . 52871 1 278 . 1 . 1 24 24 GLU C C 13 179.285 0.013 . 1 . . . . . 51 GLU C . 52871 1 279 . 1 . 1 24 24 GLU CA C 13 58.951 0.074 . 1 . . . . . 51 GLU CA . 52871 1 280 . 1 . 1 24 24 GLU CB C 13 29.830 0.046 . 1 . . . . . 51 GLU CB . 52871 1 281 . 1 . 1 24 24 GLU CG C 13 36.014 0.032 . 1 . . . . . 51 GLU CG . 52871 1 282 . 1 . 1 24 24 GLU N N 15 116.608 0.033 . 1 . . . . . 51 GLU N . 52871 1 283 . 1 . 1 25 25 GLU H H 1 8.378 0.002 . 1 . . . . . 52 GLU H . 52871 1 284 . 1 . 1 25 25 GLU HA H 1 3.958 0.004 . 1 . . . . . 52 GLU HA . 52871 1 285 . 1 . 1 25 25 GLU HB2 H 1 1.935 0.010 . 2 . . . . . 52 GLU HB2 . 52871 1 286 . 1 . 1 25 25 GLU HB3 H 1 2.042 0.002 . 2 . . . . . 52 GLU HB3 . 52871 1 287 . 1 . 1 25 25 GLU HG2 H 1 2.463 0.006 . 2 . . . . . 52 GLU HG2 . 52871 1 288 . 1 . 1 25 25 GLU HG3 H 1 2.158 0.013 . 2 . . . . . 52 GLU HG3 . 52871 1 289 . 1 . 1 25 25 GLU C C 13 178.960 0.002 . 1 . . . . . 52 GLU C . 52871 1 290 . 1 . 1 25 25 GLU CA C 13 59.038 0.103 . 1 . . . . . 52 GLU CA . 52871 1 291 . 1 . 1 25 25 GLU CB C 13 30.309 0.120 . 1 . . . . . 52 GLU CB . 52871 1 292 . 1 . 1 25 25 GLU CG C 13 36.283 0.087 . 1 . . . . . 52 GLU CG . 52871 1 293 . 1 . 1 25 25 GLU N N 15 118.926 0.044 . 1 . . . . . 52 GLU N . 52871 1 294 . 1 . 1 26 26 LEU H H 1 8.320 0.002 . 1 . . . . . 53 LEU H . 52871 1 295 . 1 . 1 26 26 LEU HA H 1 4.253 0.004 . 1 . . . . . 53 LEU HA . 52871 1 296 . 1 . 1 26 26 LEU HB2 H 1 1.467 0.005 . 2 . . . . . 53 LEU HB2 . 52871 1 297 . 1 . 1 26 26 LEU HB3 H 1 1.294 0.003 . 2 . . . . . 53 LEU HB3 . 52871 1 298 . 1 . 1 26 26 LEU HG H 1 1.576 0.002 . 1 . . . . . 53 LEU HG . 52871 1 299 . 1 . 1 26 26 LEU HD11 H 1 0.674 0.003 . 2 . . . . . 53 LEU QD1 . 52871 1 300 . 1 . 1 26 26 LEU HD12 H 1 0.674 0.003 . 2 . . . . . 53 LEU QD1 . 52871 1 301 . 1 . 1 26 26 LEU HD13 H 1 0.674 0.003 . 2 . . . . . 53 LEU QD1 . 52871 1 302 . 1 . 1 26 26 LEU HD21 H 1 0.656 0.006 . 2 . . . . . 53 LEU QD2 . 52871 1 303 . 1 . 1 26 26 LEU HD22 H 1 0.656 0.006 . 2 . . . . . 53 LEU QD2 . 52871 1 304 . 1 . 1 26 26 LEU HD23 H 1 0.656 0.006 . 2 . . . . . 53 LEU QD2 . 52871 1 305 . 1 . 1 26 26 LEU C C 13 176.923 0.002 . 1 . . . . . 53 LEU C . 52871 1 306 . 1 . 1 26 26 LEU CA C 13 55.367 0.061 . 1 . . . . . 53 LEU CA . 52871 1 307 . 1 . 1 26 26 LEU CB C 13 41.634 0.054 . 1 . . . . . 53 LEU CB . 52871 1 308 . 1 . 1 26 26 LEU CG C 13 27.704 0.026 . 1 . . . . . 53 LEU CG . 52871 1 309 . 1 . 1 26 26 LEU CD1 C 13 22.674 0.028 . 2 . . . . . 53 LEU CD1 . 52871 1 310 . 1 . 1 26 26 LEU CD2 C 13 25.364 0.010 . 2 . . . . . 53 LEU CD2 . 52871 1 311 . 1 . 1 26 26 LEU N N 15 115.416 0.041 . 1 . . . . . 53 LEU N . 52871 1 312 . 1 . 1 27 27 GLY H H 1 7.522 0.002 . 1 . . . . . 54 GLY H . 52871 1 313 . 1 . 1 27 27 GLY HA2 H 1 3.843 0.005 . 2 . . . . . 54 GLY HA2 . 52871 1 314 . 1 . 1 27 27 GLY HA3 H 1 3.760 0.008 . 2 . . . . . 54 GLY HA3 . 52871 1 315 . 1 . 1 27 27 GLY C C 13 173.665 0.001 . 1 . . . . . 54 GLY C . 52871 1 316 . 1 . 1 27 27 GLY CA C 13 46.444 0.019 . 1 . . . . . 54 GLY CA . 52871 1 317 . 1 . 1 27 27 GLY N N 15 107.330 0.031 . 1 . . . . . 54 GLY N . 52871 1 318 . 1 . 1 28 28 TYR H H 1 8.515 0.002 . 1 . . . . . 55 TYR H . 52871 1 319 . 1 . 1 28 28 TYR HA H 1 5.020 0.002 . 1 . . . . . 55 TYR HA . 52871 1 320 . 1 . 1 28 28 TYR HB2 H 1 3.040 0.008 . 2 . . . . . 55 TYR HB2 . 52871 1 321 . 1 . 1 28 28 TYR HB3 H 1 2.367 0.003 . 2 . . . . . 55 TYR HB3 . 52871 1 322 . 1 . 1 28 28 TYR HD1 H 1 6.458 0.003 . 1 . . . . . 55 TYR QD . 52871 1 323 . 1 . 1 28 28 TYR HD2 H 1 6.458 0.003 . 1 . . . . . 55 TYR QD . 52871 1 324 . 1 . 1 28 28 TYR HE1 H 1 6.008 0.003 . 1 . . . . . 55 TYR QE . 52871 1 325 . 1 . 1 28 28 TYR HE2 H 1 6.008 0.003 . 1 . . . . . 55 TYR QE . 52871 1 326 . 1 . 1 28 28 TYR C C 13 175.260 0.006 . 1 . . . . . 55 TYR C . 52871 1 327 . 1 . 1 28 28 TYR CA C 13 55.674 0.067 . 1 . . . . . 55 TYR CA . 52871 1 328 . 1 . 1 28 28 TYR CB C 13 42.137 0.033 . 1 . . . . . 55 TYR CB . 52871 1 329 . 1 . 1 28 28 TYR CD1 C 13 131.736 0.065 . 1 . . . . . 55 TYR CD . 52871 1 330 . 1 . 1 28 28 TYR CD2 C 13 131.736 0.065 . 1 . . . . . 55 TYR CD . 52871 1 331 . 1 . 1 28 28 TYR CE1 C 13 117.768 0.043 . 1 . . . . . 55 TYR CE . 52871 1 332 . 1 . 1 28 28 TYR CE2 C 13 117.768 0.043 . 1 . . . . . 55 TYR CE . 52871 1 333 . 1 . 1 28 28 TYR N N 15 118.035 0.043 . 1 . . . . . 55 TYR N . 52871 1 334 . 1 . 1 29 29 ASP H H 1 9.251 0.005 . 1 . . . . . 56 ASP H . 52871 1 335 . 1 . 1 29 29 ASP HA H 1 4.980 0.004 . 1 . . . . . 56 ASP HA . 52871 1 336 . 1 . 1 29 29 ASP HB2 H 1 2.588 0.008 . 2 . . . . . 56 ASP HB2 . 52871 1 337 . 1 . 1 29 29 ASP HB3 H 1 2.520 0.008 . 2 . . . . . 56 ASP HB3 . 52871 1 338 . 1 . 1 29 29 ASP C C 13 176.023 0.014 . 1 . . . . . 56 ASP C . 52871 1 339 . 1 . 1 29 29 ASP CA C 13 53.888 0.116 . 1 . . . . . 56 ASP CA . 52871 1 340 . 1 . 1 29 29 ASP CB C 13 42.609 0.059 . 1 . . . . . 56 ASP CB . 52871 1 341 . 1 . 1 29 29 ASP N N 15 118.966 0.045 . 1 . . . . . 56 ASP N . 52871 1 342 . 1 . 1 30 30 LEU H H 1 9.081 0.003 . 1 . . . . . 57 LEU H . 52871 1 343 . 1 . 1 30 30 LEU HA H 1 4.399 0.004 . 1 . . . . . 57 LEU HA . 52871 1 344 . 1 . 1 30 30 LEU HB2 H 1 1.972 0.007 . 2 . . . . . 57 LEU HB2 . 52871 1 345 . 1 . 1 30 30 LEU HB3 H 1 1.032 0.010 . 2 . . . . . 57 LEU HB3 . 52871 1 346 . 1 . 1 30 30 LEU HG H 1 1.243 0.006 . 1 . . . . . 57 LEU HG . 52871 1 347 . 1 . 1 30 30 LEU HD11 H 1 0.683 0.005 . 2 . . . . . 57 LEU QD1 . 52871 1 348 . 1 . 1 30 30 LEU HD12 H 1 0.683 0.005 . 2 . . . . . 57 LEU QD1 . 52871 1 349 . 1 . 1 30 30 LEU HD13 H 1 0.683 0.005 . 2 . . . . . 57 LEU QD1 . 52871 1 350 . 1 . 1 30 30 LEU HD21 H 1 0.457 0.001 . 2 . . . . . 57 LEU QD2 . 52871 1 351 . 1 . 1 30 30 LEU HD22 H 1 0.457 0.001 . 2 . . . . . 57 LEU QD2 . 52871 1 352 . 1 . 1 30 30 LEU HD23 H 1 0.457 0.001 . 2 . . . . . 57 LEU QD2 . 52871 1 353 . 1 . 1 30 30 LEU C C 13 176.053 0.002 . 1 . . . . . 57 LEU C . 52871 1 354 . 1 . 1 30 30 LEU CA C 13 54.840 0.095 . 1 . . . . . 57 LEU CA . 52871 1 355 . 1 . 1 30 30 LEU CB C 13 41.836 0.038 . 1 . . . . . 57 LEU CB . 52871 1 356 . 1 . 1 30 30 LEU CG C 13 27.502 0.055 . 1 . . . . . 57 LEU CG . 52871 1 357 . 1 . 1 30 30 LEU CD1 C 13 26.366 0.035 . 2 . . . . . 57 LEU CD1 . 52871 1 358 . 1 . 1 30 30 LEU CD2 C 13 23.110 0.023 . 2 . . . . . 57 LEU CD2 . 52871 1 359 . 1 . 1 30 30 LEU N N 15 125.962 0.037 . 1 . . . . . 57 LEU N . 52871 1 360 . 1 . 1 31 31 LEU H H 1 9.172 0.002 . 1 . . . . . 58 LEU H . 52871 1 361 . 1 . 1 31 31 LEU HA H 1 4.436 0.007 . 1 . . . . . 58 LEU HA . 52871 1 362 . 1 . 1 31 31 LEU HB2 H 1 1.586 0.006 . 1 . . . . . 58 LEU QB . 52871 1 363 . 1 . 1 31 31 LEU HB3 H 1 1.586 0.006 . 1 . . . . . 58 LEU QB . 52871 1 364 . 1 . 1 31 31 LEU HG H 1 1.593 0.002 . 1 . . . . . 58 LEU HG . 52871 1 365 . 1 . 1 31 31 LEU HD11 H 1 0.822 0.006 . 2 . . . . . 58 LEU QD1 . 52871 1 366 . 1 . 1 31 31 LEU HD12 H 1 0.822 0.006 . 2 . . . . . 58 LEU QD1 . 52871 1 367 . 1 . 1 31 31 LEU HD13 H 1 0.822 0.006 . 2 . . . . . 58 LEU QD1 . 52871 1 368 . 1 . 1 31 31 LEU HD21 H 1 0.862 0.003 . 2 . . . . . 58 LEU QD2 . 52871 1 369 . 1 . 1 31 31 LEU HD22 H 1 0.862 0.003 . 2 . . . . . 58 LEU QD2 . 52871 1 370 . 1 . 1 31 31 LEU HD23 H 1 0.862 0.003 . 2 . . . . . 58 LEU QD2 . 52871 1 371 . 1 . 1 31 31 LEU C C 13 177.699 0.010 . 1 . . . . . 58 LEU C . 52871 1 372 . 1 . 1 31 31 LEU CA C 13 55.729 0.043 . 1 . . . . . 58 LEU CA . 52871 1 373 . 1 . 1 31 31 LEU CB C 13 41.177 0.100 . 1 . . . . . 58 LEU CB . 52871 1 374 . 1 . 1 31 31 LEU CG C 13 27.348 0.114 . 1 . . . . . 58 LEU CG . 52871 1 375 . 1 . 1 31 31 LEU CD1 C 13 22.465 0.053 . 2 . . . . . 58 LEU CD1 . 52871 1 376 . 1 . 1 31 31 LEU CD2 C 13 25.565 0.150 . 2 . . . . . 58 LEU CD2 . 52871 1 377 . 1 . 1 31 31 LEU N N 15 129.556 0.045 . 1 . . . . . 58 LEU N . 52871 1 378 . 1 . 1 32 32 GLY H H 1 6.946 0.003 . 1 . . . . . 59 GLY H . 52871 1 379 . 1 . 1 32 32 GLY HA2 H 1 4.594 0.002 . 2 . . . . . 59 GLY HA2 . 52871 1 380 . 1 . 1 32 32 GLY HA3 H 1 3.830 0.004 . 2 . . . . . 59 GLY HA3 . 52871 1 381 . 1 . 1 32 32 GLY C C 13 171.822 0.007 . 1 . . . . . 59 GLY C . 52871 1 382 . 1 . 1 32 32 GLY CA C 13 44.145 0.051 . 1 . . . . . 59 GLY CA . 52871 1 383 . 1 . 1 32 32 GLY N N 15 102.996 0.065 . 1 . . . . . 59 GLY N . 52871 1 384 . 1 . 1 33 33 GLN H H 1 8.606 0.002 . 1 . . . . . 60 GLN H . 52871 1 385 . 1 . 1 33 33 GLN HA H 1 4.491 0.007 . 1 . . . . . 60 GLN HA . 52871 1 386 . 1 . 1 33 33 GLN HB2 H 1 1.893 0.006 . 1 . . . . . 60 GLN QB . 52871 1 387 . 1 . 1 33 33 GLN HB3 H 1 1.893 0.006 . 1 . . . . . 60 GLN QB . 52871 1 388 . 1 . 1 33 33 GLN HG2 H 1 2.114 0.004 . 1 . . . . . 60 GLN QG . 52871 1 389 . 1 . 1 33 33 GLN HG3 H 1 2.114 0.004 . 1 . . . . . 60 GLN QG . 52871 1 390 . 1 . 1 33 33 GLN HE21 H 1 7.260 0.001 . 2 . . . . . 60 GLN HE21 . 52871 1 391 . 1 . 1 33 33 GLN HE22 H 1 6.789 0.001 . 2 . . . . . 60 GLN HE22 . 52871 1 392 . 1 . 1 33 33 GLN C C 13 176.322 0.003 . 1 . . . . . 60 GLN C . 52871 1 393 . 1 . 1 33 33 GLN CA C 13 55.526 0.067 . 1 . . . . . 60 GLN CA . 52871 1 394 . 1 . 1 33 33 GLN CB C 13 30.156 0.154 . 1 . . . . . 60 GLN CB . 52871 1 395 . 1 . 1 33 33 GLN CG C 13 34.425 0.100 . 1 . . . . . 60 GLN CG . 52871 1 396 . 1 . 1 33 33 GLN N N 15 120.286 0.035 . 1 . . . . . 60 GLN N . 52871 1 397 . 1 . 1 33 33 GLN NE2 N 15 111.501 0.011 . 1 . . . . . 60 GLN NE2 . 52871 1 398 . 1 . 1 34 34 ILE H H 1 7.964 0.003 . 1 . . . . . 61 ILE H . 52871 1 399 . 1 . 1 34 34 ILE HA H 1 4.014 0.004 . 1 . . . . . 61 ILE HA . 52871 1 400 . 1 . 1 34 34 ILE HB H 1 1.603 0.002 . 1 . . . . . 61 ILE HB . 52871 1 401 . 1 . 1 34 34 ILE HG12 H 1 1.400 0.003 . 2 . . . . . 61 ILE HG12 . 52871 1 402 . 1 . 1 34 34 ILE HG13 H 1 0.909 0.000 . 2 . . . . . 61 ILE HG13 . 52871 1 403 . 1 . 1 34 34 ILE HG21 H 1 0.848 0.003 . 1 . . . . . 61 ILE QG2 . 52871 1 404 . 1 . 1 34 34 ILE HG22 H 1 0.848 0.003 . 1 . . . . . 61 ILE QG2 . 52871 1 405 . 1 . 1 34 34 ILE HG23 H 1 0.848 0.003 . 1 . . . . . 61 ILE QG2 . 52871 1 406 . 1 . 1 34 34 ILE HD11 H 1 0.907 0.004 . 1 . . . . . 61 ILE QD1 . 52871 1 407 . 1 . 1 34 34 ILE HD12 H 1 0.907 0.004 . 1 . . . . . 61 ILE QD1 . 52871 1 408 . 1 . 1 34 34 ILE HD13 H 1 0.907 0.004 . 1 . . . . . 61 ILE QD1 . 52871 1 409 . 1 . 1 34 34 ILE C C 13 175.238 0.005 . 1 . . . . . 61 ILE C . 52871 1 410 . 1 . 1 34 34 ILE CA C 13 61.255 0.063 . 1 . . . . . 61 ILE CA . 52871 1 411 . 1 . 1 34 34 ILE CB C 13 38.292 0.029 . 1 . . . . . 61 ILE CB . 52871 1 412 . 1 . 1 34 34 ILE CG1 C 13 28.049 0.164 . 1 . . . . . 61 ILE CG1 . 52871 1 413 . 1 . 1 34 34 ILE CG2 C 13 17.140 0.087 . 1 . . . . . 61 ILE CG2 . 52871 1 414 . 1 . 1 34 34 ILE CD1 C 13 14.174 0.036 . 1 . . . . . 61 ILE CD1 . 52871 1 415 . 1 . 1 34 34 ILE N N 15 125.778 0.040 . 1 . . . . . 61 ILE N . 52871 1 416 . 1 . 1 35 35 GLY H H 1 8.421 0.001 . 1 . . . . . 62 GLY H . 52871 1 417 . 1 . 1 35 35 GLY HA2 H 1 3.857 0.004 . 2 . . . . . 62 GLY HA2 . 52871 1 418 . 1 . 1 35 35 GLY HA3 H 1 3.745 0.001 . 2 . . . . . 62 GLY HA3 . 52871 1 419 . 1 . 1 35 35 GLY C C 13 174.457 0.000 . 1 . . . . . 62 GLY C . 52871 1 420 . 1 . 1 35 35 GLY CA C 13 46.785 0.136 . 1 . . . . . 62 GLY CA . 52871 1 421 . 1 . 1 35 35 GLY N N 15 114.638 0.033 . 1 . . . . . 62 GLY N . 52871 1 422 . 1 . 1 36 36 SER HA H 1 4.384 0.004 . 1 . . . . . 63 SER HA . 52871 1 423 . 1 . 1 36 36 SER HB2 H 1 3.924 0.002 . 2 . . . . . 63 SER HB2 . 52871 1 424 . 1 . 1 36 36 SER HB3 H 1 3.835 0.010 . 2 . . . . . 63 SER HB3 . 52871 1 425 . 1 . 1 36 36 SER C C 13 174.291 0.015 . 1 . . . . . 63 SER C . 52871 1 426 . 1 . 1 36 36 SER CA C 13 57.957 0.083 . 1 . . . . . 63 SER CA . 52871 1 427 . 1 . 1 36 36 SER CB C 13 63.552 0.197 . 1 . . . . . 63 SER CB . 52871 1 428 . 1 . 1 37 37 LEU H H 1 7.911 0.004 . 1 . . . . . 64 LEU H . 52871 1 429 . 1 . 1 37 37 LEU HA H 1 4.276 0.004 . 1 . . . . . 64 LEU HA . 52871 1 430 . 1 . 1 37 37 LEU HB2 H 1 1.491 0.006 . 2 . . . . . 64 LEU HB2 . 52871 1 431 . 1 . 1 37 37 LEU HB3 H 1 0.735 0.007 . 2 . . . . . 64 LEU HB3 . 52871 1 432 . 1 . 1 37 37 LEU HG H 1 1.367 0.007 . 1 . . . . . 64 LEU HG . 52871 1 433 . 1 . 1 37 37 LEU HD11 H 1 0.568 0.005 . 2 . . . . . 64 LEU QD1 . 52871 1 434 . 1 . 1 37 37 LEU HD12 H 1 0.568 0.005 . 2 . . . . . 64 LEU QD1 . 52871 1 435 . 1 . 1 37 37 LEU HD13 H 1 0.568 0.005 . 2 . . . . . 64 LEU QD1 . 52871 1 436 . 1 . 1 37 37 LEU HD21 H 1 0.525 0.004 . 2 . . . . . 64 LEU QD2 . 52871 1 437 . 1 . 1 37 37 LEU HD22 H 1 0.525 0.004 . 2 . . . . . 64 LEU QD2 . 52871 1 438 . 1 . 1 37 37 LEU HD23 H 1 0.525 0.004 . 2 . . . . . 64 LEU QD2 . 52871 1 439 . 1 . 1 37 37 LEU C C 13 176.183 0.001 . 1 . . . . . 64 LEU C . 52871 1 440 . 1 . 1 37 37 LEU CA C 13 54.185 0.075 . 1 . . . . . 64 LEU CA . 52871 1 441 . 1 . 1 37 37 LEU CB C 13 41.603 0.043 . 1 . . . . . 64 LEU CB . 52871 1 442 . 1 . 1 37 37 LEU CG C 13 26.180 0.096 . 1 . . . . . 64 LEU CG . 52871 1 443 . 1 . 1 37 37 LEU CD1 C 13 22.882 0.025 . 2 . . . . . 64 LEU CD1 . 52871 1 444 . 1 . 1 37 37 LEU CD2 C 13 25.018 0.069 . 2 . . . . . 64 LEU CD2 . 52871 1 445 . 1 . 1 37 37 LEU N N 15 123.800 0.037 . 1 . . . . . 64 LEU N . 52871 1 446 . 1 . 1 38 38 GLU H H 1 8.398 0.002 . 1 . . . . . 65 GLU H . 52871 1 447 . 1 . 1 38 38 GLU HA H 1 3.966 0.004 . 1 . . . . . 65 GLU HA . 52871 1 448 . 1 . 1 38 38 GLU HB2 H 1 1.906 0.006 . 1 . . . . . 65 GLU QB . 52871 1 449 . 1 . 1 38 38 GLU HB3 H 1 1.906 0.006 . 1 . . . . . 65 GLU QB . 52871 1 450 . 1 . 1 38 38 GLU HG2 H 1 2.260 0.004 . 1 . . . . . 65 GLU QG . 52871 1 451 . 1 . 1 38 38 GLU HG3 H 1 2.260 0.004 . 1 . . . . . 65 GLU QG . 52871 1 452 . 1 . 1 38 38 GLU C C 13 177.983 0.008 . 1 . . . . . 65 GLU C . 52871 1 453 . 1 . 1 38 38 GLU CA C 13 57.687 0.058 . 1 . . . . . 65 GLU CA . 52871 1 454 . 1 . 1 38 38 GLU CB C 13 30.114 0.141 . 1 . . . . . 65 GLU CB . 52871 1 455 . 1 . 1 38 38 GLU CG C 13 36.361 0.000 . 1 . . . . . 65 GLU CG . 52871 1 456 . 1 . 1 38 38 GLU N N 15 123.658 0.036 . 1 . . . . . 65 GLU N . 52871 1 457 . 1 . 1 39 39 ASN H H 1 9.090 0.005 . 1 . . . . . 66 ASN H . 52871 1 458 . 1 . 1 39 39 ASN HA H 1 4.451 0.002 . 1 . . . . . 66 ASN HA . 52871 1 459 . 1 . 1 39 39 ASN HB2 H 1 3.348 0.003 . 2 . . . . . 66 ASN HB2 . 52871 1 460 . 1 . 1 39 39 ASN HB3 H 1 3.079 0.003 . 2 . . . . . 66 ASN HB3 . 52871 1 461 . 1 . 1 39 39 ASN HD21 H 1 8.061 0.002 . 2 . . . . . 66 ASN HD21 . 52871 1 462 . 1 . 1 39 39 ASN HD22 H 1 7.074 0.003 . 2 . . . . . 66 ASN HD22 . 52871 1 463 . 1 . 1 39 39 ASN C C 13 172.765 0.011 . 1 . . . . . 66 ASN C . 52871 1 464 . 1 . 1 39 39 ASN CA C 13 54.731 0.049 . 1 . . . . . 66 ASN CA . 52871 1 465 . 1 . 1 39 39 ASN CB C 13 37.096 0.038 . 1 . . . . . 66 ASN CB . 52871 1 466 . 1 . 1 39 39 ASN N N 15 118.063 0.034 . 1 . . . . . 66 ASN N . 52871 1 467 . 1 . 1 39 39 ASN ND2 N 15 114.852 0.028 . 1 . . . . . 66 ASN ND2 . 52871 1 468 . 1 . 1 40 40 HIS H H 1 7.591 0.004 . 1 . . . . . 67 HIS H . 52871 1 469 . 1 . 1 40 40 HIS HA H 1 5.401 0.004 . 1 . . . . . 67 HIS HA . 52871 1 470 . 1 . 1 40 40 HIS HB2 H 1 3.064 0.005 . 2 . . . . . 67 HIS HB2 . 52871 1 471 . 1 . 1 40 40 HIS HB3 H 1 2.723 0.005 . 2 . . . . . 67 HIS HB3 . 52871 1 472 . 1 . 1 40 40 HIS HD2 H 1 6.830 0.023 . 1 . . . . . 67 HIS HD2 . 52871 1 473 . 1 . 1 40 40 HIS HE1 H 1 7.629 0.002 . 1 . . . . . 67 HIS HE1 . 52871 1 474 . 1 . 1 40 40 HIS C C 13 174.419 0.003 . 1 . . . . . 67 HIS C . 52871 1 475 . 1 . 1 40 40 HIS CA C 13 55.511 0.064 . 1 . . . . . 67 HIS CA . 52871 1 476 . 1 . 1 40 40 HIS CB C 13 32.095 0.071 . 1 . . . . . 67 HIS CB . 52871 1 477 . 1 . 1 40 40 HIS CD2 C 13 121.887 0.000 . 1 . . . . . 67 HIS CD2 . 52871 1 478 . 1 . 1 40 40 HIS CE1 C 13 138.383 0.000 . 1 . . . . . 67 HIS CE1 . 52871 1 479 . 1 . 1 40 40 HIS N N 15 117.620 0.052 . 1 . . . . . 67 HIS N . 52871 1 480 . 1 . 1 41 41 TYR H H 1 9.111 0.005 . 1 . . . . . 68 TYR H . 52871 1 481 . 1 . 1 41 41 TYR HA H 1 4.874 0.004 . 1 . . . . . 68 TYR HA . 52871 1 482 . 1 . 1 41 41 TYR HB2 H 1 2.429 0.004 . 2 . . . . . 68 TYR HB2 . 52871 1 483 . 1 . 1 41 41 TYR HB3 H 1 2.321 0.005 . 2 . . . . . 68 TYR HB3 . 52871 1 484 . 1 . 1 41 41 TYR HD1 H 1 6.785 0.005 . 1 . . . . . 68 TYR QD . 52871 1 485 . 1 . 1 41 41 TYR HD2 H 1 6.785 0.005 . 1 . . . . . 68 TYR QD . 52871 1 486 . 1 . 1 41 41 TYR HE1 H 1 6.787 0.001 . 1 . . . . . 68 TYR QE . 52871 1 487 . 1 . 1 41 41 TYR HE2 H 1 6.787 0.001 . 1 . . . . . 68 TYR QE . 52871 1 488 . 1 . 1 41 41 TYR C C 13 172.526 0.002 . 1 . . . . . 68 TYR C . 52871 1 489 . 1 . 1 41 41 TYR CA C 13 57.211 0.088 . 1 . . . . . 68 TYR CA . 52871 1 490 . 1 . 1 41 41 TYR CB C 13 42.984 0.031 . 1 . . . . . 68 TYR CB . 52871 1 491 . 1 . 1 41 41 TYR CD1 C 13 133.355 0.074 . 1 . . . . . 68 TYR CD . 52871 1 492 . 1 . 1 41 41 TYR CD2 C 13 133.355 0.074 . 1 . . . . . 68 TYR CD . 52871 1 493 . 1 . 1 41 41 TYR CE1 C 13 117.925 0.000 . 1 . . . . . 68 TYR CE . 52871 1 494 . 1 . 1 41 41 TYR CE2 C 13 117.925 0.000 . 1 . . . . . 68 TYR CE . 52871 1 495 . 1 . 1 41 41 TYR N N 15 120.717 0.041 . 1 . . . . . 68 TYR N . 52871 1 496 . 1 . 1 42 42 LEU H H 1 8.358 0.004 . 1 . . . . . 69 LEU H . 52871 1 497 . 1 . 1 42 42 LEU HA H 1 5.322 0.004 . 1 . . . . . 69 LEU HA . 52871 1 498 . 1 . 1 42 42 LEU HB2 H 1 1.688 0.001 . 2 . . . . . 69 LEU HB2 . 52871 1 499 . 1 . 1 42 42 LEU HB3 H 1 1.190 0.002 . 2 . . . . . 69 LEU HB3 . 52871 1 500 . 1 . 1 42 42 LEU HG H 1 1.398 0.097 . 1 . . . . . 69 LEU HG . 52871 1 501 . 1 . 1 42 42 LEU HD11 H 1 0.918 0.004 . 2 . . . . . 69 LEU QD1 . 52871 1 502 . 1 . 1 42 42 LEU HD12 H 1 0.918 0.004 . 2 . . . . . 69 LEU QD1 . 52871 1 503 . 1 . 1 42 42 LEU HD13 H 1 0.918 0.004 . 2 . . . . . 69 LEU QD1 . 52871 1 504 . 1 . 1 42 42 LEU HD21 H 1 0.863 0.004 . 2 . . . . . 69 LEU QD2 . 52871 1 505 . 1 . 1 42 42 LEU HD22 H 1 0.863 0.004 . 2 . . . . . 69 LEU QD2 . 52871 1 506 . 1 . 1 42 42 LEU HD23 H 1 0.863 0.004 . 2 . . . . . 69 LEU QD2 . 52871 1 507 . 1 . 1 42 42 LEU C C 13 174.778 0.002 . 1 . . . . . 69 LEU C . 52871 1 508 . 1 . 1 42 42 LEU CA C 13 53.054 0.044 . 1 . . . . . 69 LEU CA . 52871 1 509 . 1 . 1 42 42 LEU CB C 13 45.762 0.027 . 1 . . . . . 69 LEU CB . 52871 1 510 . 1 . 1 42 42 LEU CG C 13 27.143 0.043 . 1 . . . . . 69 LEU CG . 52871 1 511 . 1 . 1 42 42 LEU CD1 C 13 23.305 0.008 . 2 . . . . . 69 LEU CD1 . 52871 1 512 . 1 . 1 42 42 LEU CD2 C 13 25.665 0.098 . 2 . . . . . 69 LEU CD2 . 52871 1 513 . 1 . 1 42 42 LEU N N 15 121.459 0.038 . 1 . . . . . 69 LEU N . 52871 1 514 . 1 . 1 43 43 PHE H H 1 9.666 0.004 . 1 . . . . . 70 PHE H . 52871 1 515 . 1 . 1 43 43 PHE HA H 1 5.399 0.005 . 1 . . . . . 70 PHE HA . 52871 1 516 . 1 . 1 43 43 PHE HB2 H 1 2.863 0.008 . 2 . . . . . 70 PHE HB2 . 52871 1 517 . 1 . 1 43 43 PHE HB3 H 1 2.734 0.005 . 2 . . . . . 70 PHE HB3 . 52871 1 518 . 1 . 1 43 43 PHE HD1 H 1 6.816 0.005 . 1 . . . . . 70 PHE QD . 52871 1 519 . 1 . 1 43 43 PHE HD2 H 1 6.816 0.005 . 1 . . . . . 70 PHE QD . 52871 1 520 . 1 . 1 43 43 PHE HE1 H 1 7.084 0.005 . 1 . . . . . 70 PHE QE . 52871 1 521 . 1 . 1 43 43 PHE HE2 H 1 7.084 0.005 . 1 . . . . . 70 PHE QE . 52871 1 522 . 1 . 1 43 43 PHE HZ H 1 6.782 0.004 . 1 . . . . . 70 PHE HZ . 52871 1 523 . 1 . 1 43 43 PHE C C 13 175.218 0.000 . 1 . . . . . 70 PHE C . 52871 1 524 . 1 . 1 43 43 PHE CA C 13 56.040 0.049 . 1 . . . . . 70 PHE CA . 52871 1 525 . 1 . 1 43 43 PHE CB C 13 43.306 0.037 . 1 . . . . . 70 PHE CB . 52871 1 526 . 1 . 1 43 43 PHE CD1 C 13 130.673 0.022 . 1 . . . . . 70 PHE CD . 52871 1 527 . 1 . 1 43 43 PHE CD2 C 13 130.673 0.022 . 1 . . . . . 70 PHE CD . 52871 1 528 . 1 . 1 43 43 PHE CE1 C 13 130.712 0.050 . 1 . . . . . 70 PHE CE . 52871 1 529 . 1 . 1 43 43 PHE CE2 C 13 130.712 0.050 . 1 . . . . . 70 PHE CE . 52871 1 530 . 1 . 1 43 43 PHE CZ C 13 128.305 0.030 . 1 . . . . . 70 PHE CZ . 52871 1 531 . 1 . 1 43 43 PHE N N 15 124.201 0.032 . 1 . . . . . 70 PHE N . 52871 1 532 . 1 . 1 44 44 LYS H H 1 9.648 0.004 . 1 . . . . . 71 LYS H . 52871 1 533 . 1 . 1 44 44 LYS HA H 1 5.617 0.010 . 1 . . . . . 71 LYS HA . 52871 1 534 . 1 . 1 44 44 LYS HB2 H 1 2.045 0.004 . 2 . . . . . 71 LYS HB2 . 52871 1 535 . 1 . 1 44 44 LYS HB3 H 1 1.765 0.005 . 2 . . . . . 71 LYS HB3 . 52871 1 536 . 1 . 1 44 44 LYS HG2 H 1 1.676 0.005 . 2 . . . . . 71 LYS HG2 . 52871 1 537 . 1 . 1 44 44 LYS HG3 H 1 1.462 0.002 . 2 . . . . . 71 LYS HG3 . 52871 1 538 . 1 . 1 44 44 LYS HE2 H 1 3.089 0.005 . 1 . . . . . 71 LYS QE . 52871 1 539 . 1 . 1 44 44 LYS HE3 H 1 3.089 0.005 . 1 . . . . . 71 LYS QE . 52871 1 540 . 1 . 1 44 44 LYS C C 13 175.765 0.009 . 1 . . . . . 71 LYS C . 52871 1 541 . 1 . 1 44 44 LYS CA C 13 54.734 0.076 . 1 . . . . . 71 LYS CA . 52871 1 542 . 1 . 1 44 44 LYS CB C 13 36.631 0.057 . 1 . . . . . 71 LYS CB . 52871 1 543 . 1 . 1 44 44 LYS CG C 13 24.520 0.107 . 1 . . . . . 71 LYS CG . 52871 1 544 . 1 . 1 44 44 LYS CD C 13 30.011 0.025 . 1 . . . . . 71 LYS CD . 52871 1 545 . 1 . 1 44 44 LYS CE C 13 41.897 0.048 . 1 . . . . . 71 LYS CE . 52871 1 546 . 1 . 1 44 44 LYS N N 15 122.567 0.047 . 1 . . . . . 71 LYS N . 52871 1 547 . 1 . 1 45 45 HIS H H 1 9.096 0.004 . 1 . . . . . 72 HIS H . 52871 1 548 . 1 . 1 45 45 HIS HA H 1 4.384 0.006 . 1 . . . . . 72 HIS HA . 52871 1 549 . 1 . 1 45 45 HIS HB2 H 1 3.125 0.006 . 2 . . . . . 72 HIS HB2 . 52871 1 550 . 1 . 1 45 45 HIS HB3 H 1 2.749 0.005 . 2 . . . . . 72 HIS HB3 . 52871 1 551 . 1 . 1 45 45 HIS HD2 H 1 5.940 0.006 . 1 . . . . . 72 HIS HD2 . 52871 1 552 . 1 . 1 45 45 HIS HE1 H 1 7.661 0.005 . 1 . . . . . 72 HIS HE1 . 52871 1 553 . 1 . 1 45 45 HIS C C 13 176.323 0.007 . 1 . . . . . 72 HIS C . 52871 1 554 . 1 . 1 45 45 HIS CA C 13 57.809 0.090 . 1 . . . . . 72 HIS CA . 52871 1 555 . 1 . 1 45 45 HIS CB C 13 32.899 0.017 . 1 . . . . . 72 HIS CB . 52871 1 556 . 1 . 1 45 45 HIS CD2 C 13 117.536 0.009 . 1 . . . . . 72 HIS CD2 . 52871 1 557 . 1 . 1 45 45 HIS CE1 C 13 138.582 0.020 . 1 . . . . . 72 HIS CE1 . 52871 1 558 . 1 . 1 45 45 HIS N N 15 130.326 0.058 . 1 . . . . . 72 HIS N . 52871 1 559 . 1 . 1 46 46 LYS H H 1 8.062 0.005 . 1 . . . . . 73 LYS H . 52871 1 560 . 1 . 1 46 46 LYS HA H 1 4.112 0.002 . 1 . . . . . 73 LYS HA . 52871 1 561 . 1 . 1 46 46 LYS HB2 H 1 1.840 0.006 . 2 . . . . . 73 LYS HB2 . 52871 1 562 . 1 . 1 46 46 LYS HB3 H 1 1.568 0.010 . 2 . . . . . 73 LYS HB3 . 52871 1 563 . 1 . 1 46 46 LYS HG2 H 1 1.411 0.006 . 2 . . . . . 73 LYS HG2 . 52871 1 564 . 1 . 1 46 46 LYS HG3 H 1 1.264 0.003 . 2 . . . . . 73 LYS HG3 . 52871 1 565 . 1 . 1 46 46 LYS HD2 H 1 1.560 0.000 . 2 . . . . . 73 LYS HD2 . 52871 1 566 . 1 . 1 46 46 LYS HD3 H 1 1.514 0.009 . 2 . . . . . 73 LYS HD3 . 52871 1 567 . 1 . 1 46 46 LYS HE2 H 1 2.853 0.005 . 1 . . . . . 73 LYS QE . 52871 1 568 . 1 . 1 46 46 LYS HE3 H 1 2.853 0.005 . 1 . . . . . 73 LYS QE . 52871 1 569 . 1 . 1 46 46 LYS C C 13 177.123 0.003 . 1 . . . . . 73 LYS C . 52871 1 570 . 1 . 1 46 46 LYS CA C 13 59.087 0.066 . 1 . . . . . 73 LYS CA . 52871 1 571 . 1 . 1 46 46 LYS CB C 13 32.961 0.057 . 1 . . . . . 73 LYS CB . 52871 1 572 . 1 . 1 46 46 LYS CG C 13 25.774 0.077 . 1 . . . . . 73 LYS CG . 52871 1 573 . 1 . 1 46 46 LYS CD C 13 29.326 0.104 . 1 . . . . . 73 LYS CD . 52871 1 574 . 1 . 1 46 46 LYS CE C 13 41.718 0.060 . 1 . . . . . 73 LYS CE . 52871 1 575 . 1 . 1 46 46 LYS N N 15 123.944 0.043 . 1 . . . . . 73 LYS N . 52871 1 576 . 1 . 1 47 47 ASN H H 1 9.602 0.005 . 1 . . . . . 74 ASN H . 52871 1 577 . 1 . 1 47 47 ASN HA H 1 5.031 0.007 . 1 . . . . . 74 ASN HA . 52871 1 578 . 1 . 1 47 47 ASN HB2 H 1 2.949 0.007 . 2 . . . . . 74 ASN HB2 . 52871 1 579 . 1 . 1 47 47 ASN HB3 H 1 2.614 0.004 . 2 . . . . . 74 ASN HB3 . 52871 1 580 . 1 . 1 47 47 ASN HD21 H 1 7.691 0.002 . 2 . . . . . 74 ASN HD21 . 52871 1 581 . 1 . 1 47 47 ASN HD22 H 1 6.916 0.000 . 2 . . . . . 74 ASN HD22 . 52871 1 582 . 1 . 1 47 47 ASN C C 13 173.504 0.008 . 1 . . . . . 74 ASN C . 52871 1 583 . 1 . 1 47 47 ASN CA C 13 53.110 0.062 . 1 . . . . . 74 ASN CA . 52871 1 584 . 1 . 1 47 47 ASN CB C 13 40.197 0.046 . 1 . . . . . 74 ASN CB . 52871 1 585 . 1 . 1 47 47 ASN N N 15 119.271 0.037 . 1 . . . . . 74 ASN N . 52871 1 586 . 1 . 1 47 47 ASN ND2 N 15 112.984 0.001 . 1 . . . . . 74 ASN ND2 . 52871 1 587 . 1 . 1 48 48 HIS H H 1 8.302 0.002 . 1 . . . . . 75 HIS H . 52871 1 588 . 1 . 1 48 48 HIS HA H 1 4.691 0.007 . 1 . . . . . 75 HIS HA . 52871 1 589 . 1 . 1 48 48 HIS HB2 H 1 2.765 0.007 . 2 . . . . . 75 HIS HB2 . 52871 1 590 . 1 . 1 48 48 HIS HB3 H 1 2.422 0.006 . 2 . . . . . 75 HIS HB3 . 52871 1 591 . 1 . 1 48 48 HIS HD2 H 1 6.792 0.005 . 1 . . . . . 75 HIS HD2 . 52871 1 592 . 1 . 1 48 48 HIS HE1 H 1 7.765 0.010 . 1 . . . . . 75 HIS HE1 . 52871 1 593 . 1 . 1 48 48 HIS C C 13 172.661 0.000 . 1 . . . . . 75 HIS C . 52871 1 594 . 1 . 1 48 48 HIS CA C 13 55.444 0.060 . 1 . . . . . 75 HIS CA . 52871 1 595 . 1 . 1 48 48 HIS CB C 13 33.177 0.120 . 1 . . . . . 75 HIS CB . 52871 1 596 . 1 . 1 48 48 HIS CD2 C 13 118.391 0.535 . 1 . . . . . 75 HIS CD2 . 52871 1 597 . 1 . 1 48 48 HIS CE1 C 13 138.600 . . 1 . . . . . 75 HIS CE1 . 52871 1 598 . 1 . 1 48 48 HIS N N 15 124.330 0.051 . 1 . . . . . 75 HIS N . 52871 1 599 . 1 . 1 49 49 PRO HA H 1 4.178 0.005 . 1 . . . . . 76 PRO HA . 52871 1 600 . 1 . 1 49 49 PRO HB2 H 1 2.232 0.004 . 2 . . . . . 76 PRO HB2 . 52871 1 601 . 1 . 1 49 49 PRO HB3 H 1 1.550 0.004 . 2 . . . . . 76 PRO HB3 . 52871 1 602 . 1 . 1 49 49 PRO HG2 H 1 1.781 0.008 . 2 . . . . . 76 PRO HG2 . 52871 1 603 . 1 . 1 49 49 PRO HG3 H 1 1.611 0.002 . 2 . . . . . 76 PRO HG3 . 52871 1 604 . 1 . 1 49 49 PRO HD2 H 1 3.280 0.004 . 2 . . . . . 76 PRO HD2 . 52871 1 605 . 1 . 1 49 49 PRO HD3 H 1 1.712 0.008 . 2 . . . . . 76 PRO HD3 . 52871 1 606 . 1 . 1 49 49 PRO C C 13 176.491 0.009 . 1 . . . . . 76 PRO C . 52871 1 607 . 1 . 1 49 49 PRO CA C 13 63.379 0.024 . 1 . . . . . 76 PRO CA . 52871 1 608 . 1 . 1 49 49 PRO CB C 13 32.351 0.038 . 1 . . . . . 76 PRO CB . 52871 1 609 . 1 . 1 49 49 PRO CG C 13 27.613 0.065 . 1 . . . . . 76 PRO CG . 52871 1 610 . 1 . 1 49 49 PRO CD C 13 50.102 0.052 . 1 . . . . . 76 PRO CD . 52871 1 611 . 1 . 1 50 50 ARG H H 1 8.452 0.002 . 1 . . . . . 77 ARG H . 52871 1 612 . 1 . 1 50 50 ARG HA H 1 3.931 0.003 . 1 . . . . . 77 ARG HA . 52871 1 613 . 1 . 1 50 50 ARG HB2 H 1 1.924 0.005 . 1 . . . . . 77 ARG QB . 52871 1 614 . 1 . 1 50 50 ARG HB3 H 1 1.924 0.005 . 1 . . . . . 77 ARG QB . 52871 1 615 . 1 . 1 50 50 ARG HG2 H 1 1.844 0.003 . 1 . . . . . 77 ARG QG . 52871 1 616 . 1 . 1 50 50 ARG HG3 H 1 1.844 0.003 . 1 . . . . . 77 ARG QG . 52871 1 617 . 1 . 1 50 50 ARG HD2 H 1 3.472 0.005 . 2 . . . . . 77 ARG HD2 . 52871 1 618 . 1 . 1 50 50 ARG HD3 H 1 3.209 0.002 . 2 . . . . . 77 ARG HD3 . 52871 1 619 . 1 . 1 50 50 ARG C C 13 175.636 0.001 . 1 . . . . . 77 ARG C . 52871 1 620 . 1 . 1 50 50 ARG CA C 13 58.548 0.050 . 1 . . . . . 77 ARG CA . 52871 1 621 . 1 . 1 50 50 ARG CB C 13 30.181 0.084 . 1 . . . . . 77 ARG CB . 52871 1 622 . 1 . 1 50 50 ARG CG C 13 27.066 0.093 . 1 . . . . . 77 ARG CG . 52871 1 623 . 1 . 1 50 50 ARG CD C 13 43.215 0.041 . 1 . . . . . 77 ARG CD . 52871 1 624 . 1 . 1 50 50 ARG N N 15 123.146 0.030 . 1 . . . . . 77 ARG N . 52871 1 625 . 1 . 1 51 51 ARG H H 1 7.532 0.005 . 1 . . . . . 78 ARG H . 52871 1 626 . 1 . 1 51 51 ARG HA H 1 5.244 0.002 . 1 . . . . . 78 ARG HA . 52871 1 627 . 1 . 1 51 51 ARG HB2 H 1 1.669 0.004 . 2 . . . . . 78 ARG HB2 . 52871 1 628 . 1 . 1 51 51 ARG HB3 H 1 1.577 0.003 . 2 . . . . . 78 ARG HB3 . 52871 1 629 . 1 . 1 51 51 ARG HG2 H 1 1.514 0.000 . 2 . . . . . 78 ARG HG2 . 52871 1 630 . 1 . 1 51 51 ARG HG3 H 1 1.452 0.000 . 2 . . . . . 78 ARG HG3 . 52871 1 631 . 1 . 1 51 51 ARG HD2 H 1 3.152 0.007 . 2 . . . . . 78 ARG HD2 . 52871 1 632 . 1 . 1 51 51 ARG HD3 H 1 3.020 0.004 . 2 . . . . . 78 ARG HD3 . 52871 1 633 . 1 . 1 51 51 ARG C C 13 175.483 0.017 . 1 . . . . . 78 ARG C . 52871 1 634 . 1 . 1 51 51 ARG CA C 13 54.376 0.053 . 1 . . . . . 78 ARG CA . 52871 1 635 . 1 . 1 51 51 ARG CB C 13 34.167 0.043 . 1 . . . . . 78 ARG CB . 52871 1 636 . 1 . 1 51 51 ARG CG C 13 27.990 0.043 . 1 . . . . . 78 ARG CG . 52871 1 637 . 1 . 1 51 51 ARG CD C 13 43.382 0.051 . 1 . . . . . 78 ARG CD . 52871 1 638 . 1 . 1 51 51 ARG N N 15 112.781 0.054 . 1 . . . . . 78 ARG N . 52871 1 639 . 1 . 1 52 52 SER H H 1 8.588 0.002 . 1 . . . . . 79 SER H . 52871 1 640 . 1 . 1 52 52 SER HA H 1 4.772 0.008 . 1 . . . . . 79 SER HA . 52871 1 641 . 1 . 1 52 52 SER HB2 H 1 3.900 0.008 . 2 . . . . . 79 SER HB2 . 52871 1 642 . 1 . 1 52 52 SER HB3 H 1 3.649 0.004 . 2 . . . . . 79 SER HB3 . 52871 1 643 . 1 . 1 52 52 SER C C 13 173.942 0.000 . 1 . . . . . 79 SER C . 52871 1 644 . 1 . 1 52 52 SER CA C 13 57.445 0.000 . 1 . . . . . 79 SER CA . 52871 1 645 . 1 . 1 52 52 SER CB C 13 65.156 0.038 . 1 . . . . . 79 SER CB . 52871 1 646 . 1 . 1 52 52 SER N N 15 115.742 0.051 . 1 . . . . . 79 SER N . 52871 1 647 . 1 . 1 53 53 ARG HA H 1 4.632 0.055 . 1 . . . . . 80 ARG HA . 52871 1 648 . 1 . 1 53 53 ARG HB2 H 1 2.075 0.003 . 2 . . . . . 80 ARG HB2 . 52871 1 649 . 1 . 1 53 53 ARG HB3 H 1 1.963 0.002 . 2 . . . . . 80 ARG HB3 . 52871 1 650 . 1 . 1 53 53 ARG HG2 H 1 1.796 0.002 . 1 . . . . . 80 ARG QG . 52871 1 651 . 1 . 1 53 53 ARG HG3 H 1 1.796 0.002 . 1 . . . . . 80 ARG QG . 52871 1 652 . 1 . 1 53 53 ARG HD2 H 1 3.244 0.003 . 1 . . . . . 80 ARG QD . 52871 1 653 . 1 . 1 53 53 ARG HD3 H 1 3.244 0.003 . 1 . . . . . 80 ARG QD . 52871 1 654 . 1 . 1 53 53 ARG C C 13 176.586 0.000 . 1 . . . . . 80 ARG C . 52871 1 655 . 1 . 1 53 53 ARG CA C 13 57.614 0.039 . 1 . . . . . 80 ARG CA . 52871 1 656 . 1 . 1 53 53 ARG CB C 13 30.589 0.056 . 1 . . . . . 80 ARG CB . 52871 1 657 . 1 . 1 53 53 ARG CG C 13 27.546 0.107 . 1 . . . . . 80 ARG CG . 52871 1 658 . 1 . 1 53 53 ARG CD C 13 43.286 0.036 . 1 . . . . . 80 ARG CD . 52871 1 659 . 1 . 1 54 54 ARG H H 1 8.460 0.004 . 1 . . . . . 81 ARG H . 52871 1 660 . 1 . 1 54 54 ARG HA H 1 4.660 0.005 . 1 . . . . . 81 ARG HA . 52871 1 661 . 1 . 1 54 54 ARG HB2 H 1 1.864 0.007 . 2 . . . . . 81 ARG HB2 . 52871 1 662 . 1 . 1 54 54 ARG HB3 H 1 1.768 0.003 . 2 . . . . . 81 ARG HB3 . 52871 1 663 . 1 . 1 54 54 ARG HG2 H 1 1.685 0.002 . 1 . . . . . 81 ARG QG . 52871 1 664 . 1 . 1 54 54 ARG HG3 H 1 1.685 0.002 . 1 . . . . . 81 ARG QG . 52871 1 665 . 1 . 1 54 54 ARG HD2 H 1 3.265 0.002 . 1 . . . . . 81 ARG QD . 52871 1 666 . 1 . 1 54 54 ARG HD3 H 1 3.265 0.002 . 1 . . . . . 81 ARG QD . 52871 1 667 . 1 . 1 54 54 ARG C C 13 175.069 0.012 . 1 . . . . . 81 ARG C . 52871 1 668 . 1 . 1 54 54 ARG CA C 13 54.471 0.090 . 1 . . . . . 81 ARG CA . 52871 1 669 . 1 . 1 54 54 ARG CB C 13 32.093 0.060 . 1 . . . . . 81 ARG CB . 52871 1 670 . 1 . 1 54 54 ARG CG C 13 27.081 0.181 . 1 . . . . . 81 ARG CG . 52871 1 671 . 1 . 1 54 54 ARG CD C 13 43.296 0.027 . 1 . . . . . 81 ARG CD . 52871 1 672 . 1 . 1 54 54 ARG N N 15 119.120 0.034 . 1 . . . . . 81 ARG N . 52871 1 673 . 1 . 1 55 55 SER H H 1 8.264 0.004 . 1 . . . . . 82 SER H . 52871 1 674 . 1 . 1 55 55 SER HA H 1 3.128 0.004 . 1 . . . . . 82 SER HA . 52871 1 675 . 1 . 1 55 55 SER HB2 H 1 2.732 0.009 . 2 . . . . . 82 SER HB2 . 52871 1 676 . 1 . 1 55 55 SER HB3 H 1 2.591 0.004 . 2 . . . . . 82 SER HB3 . 52871 1 677 . 1 . 1 55 55 SER C C 13 174.420 0.008 . 1 . . . . . 82 SER C . 52871 1 678 . 1 . 1 55 55 SER CA C 13 56.977 0.129 . 1 . . . . . 82 SER CA . 52871 1 679 . 1 . 1 55 55 SER CB C 13 63.186 0.024 . 1 . . . . . 82 SER CB . 52871 1 680 . 1 . 1 55 55 SER N N 15 119.139 0.041 . 1 . . . . . 82 SER N . 52871 1 681 . 1 . 1 56 56 ALA H H 1 8.965 0.004 . 1 . . . . . 83 ALA H . 52871 1 682 . 1 . 1 56 56 ALA HA H 1 4.893 0.007 . 1 . . . . . 83 ALA HA . 52871 1 683 . 1 . 1 56 56 ALA HB1 H 1 1.173 0.004 . 1 . . . . . 83 ALA HB# . 52871 1 684 . 1 . 1 56 56 ALA HB2 H 1 1.173 0.004 . 1 . . . . . 83 ALA HB# . 52871 1 685 . 1 . 1 56 56 ALA HB3 H 1 1.173 0.004 . 1 . . . . . 83 ALA HB# . 52871 1 686 . 1 . 1 56 56 ALA C C 13 176.921 0.010 . 1 . . . . . 83 ALA C . 52871 1 687 . 1 . 1 56 56 ALA CA C 13 49.730 0.089 . 1 . . . . . 83 ALA CA . 52871 1 688 . 1 . 1 56 56 ALA CB C 13 17.834 0.045 . 1 . . . . . 83 ALA CB . 52871 1 689 . 1 . 1 56 56 ALA N N 15 130.876 0.051 . 1 . . . . . 83 ALA N . 52871 1 690 . 1 . 1 57 57 PHE H H 1 7.843 0.005 . 1 . . . . . 84 PHE H . 52871 1 691 . 1 . 1 57 57 PHE HA H 1 4.272 0.005 . 1 . . . . . 84 PHE HA . 52871 1 692 . 1 . 1 57 57 PHE HB2 H 1 3.178 0.001 . 2 . . . . . 84 PHE HB2 . 52871 1 693 . 1 . 1 57 57 PHE HB3 H 1 3.117 0.025 . 2 . . . . . 84 PHE HB3 . 52871 1 694 . 1 . 1 57 57 PHE HD1 H 1 7.264 0.002 . 1 . . . . . 84 PHE QD . 52871 1 695 . 1 . 1 57 57 PHE HD2 H 1 7.264 0.002 . 1 . . . . . 84 PHE QD . 52871 1 696 . 1 . 1 57 57 PHE HE1 H 1 7.397 0.002 . 1 . . . . . 84 PHE QE . 52871 1 697 . 1 . 1 57 57 PHE HE2 H 1 7.397 0.002 . 1 . . . . . 84 PHE QE . 52871 1 698 . 1 . 1 57 57 PHE HZ H 1 7.353 0.000 . 1 . . . . . 84 PHE HZ . 52871 1 699 . 1 . 1 57 57 PHE CA C 13 61.056 0.079 . 1 . . . . . 84 PHE CA . 52871 1 700 . 1 . 1 57 57 PHE CB C 13 39.151 0.005 . 1 . . . . . 84 PHE CB . 52871 1 701 . 1 . 1 57 57 PHE CD1 C 13 131.738 0.000 . 1 . . . . . 84 PHE CD . 52871 1 702 . 1 . 1 57 57 PHE CD2 C 13 131.738 0.000 . 1 . . . . . 84 PHE CD . 52871 1 703 . 1 . 1 57 57 PHE CE1 C 13 131.708 0.000 . 1 . . . . . 84 PHE CE . 52871 1 704 . 1 . 1 57 57 PHE CE2 C 13 131.708 0.000 . 1 . . . . . 84 PHE CE . 52871 1 705 . 1 . 1 57 57 PHE CZ C 13 130.168 0.000 . 1 . . . . . 84 PHE CZ . 52871 1 706 . 1 . 1 57 57 PHE N N 15 122.227 0.038 . 1 . . . . . 84 PHE N . 52871 1 707 . 1 . 1 58 58 HIS HA H 1 4.285 0.007 . 1 . . . . . 85 HIS HA . 52871 1 708 . 1 . 1 58 58 HIS HB2 H 1 3.021 0.006 . 1 . . . . . 85 HIS QB . 52871 1 709 . 1 . 1 58 58 HIS HB3 H 1 3.021 0.006 . 1 . . . . . 85 HIS QB . 52871 1 710 . 1 . 1 58 58 HIS HD2 H 1 6.978 0.012 . 1 . . . . . 85 HIS HD2 . 52871 1 711 . 1 . 1 58 58 HIS HE1 H 1 7.816 0.006 . 1 . . . . . 85 HIS HE1 . 52871 1 712 . 1 . 1 58 58 HIS C C 13 178.014 0.000 . 1 . . . . . 85 HIS C . 52871 1 713 . 1 . 1 58 58 HIS CA C 13 58.789 0.065 . 1 . . . . . 85 HIS CA . 52871 1 714 . 1 . 1 58 58 HIS CB C 13 29.197 0.049 . 1 . . . . . 85 HIS CB . 52871 1 715 . 1 . 1 58 58 HIS CD2 C 13 118.874 0.000 . 1 . . . . . 85 HIS CD2 . 52871 1 716 . 1 . 1 58 58 HIS CE1 C 13 139.047 0.223 . 1 . . . . . 85 HIS CE1 . 52871 1 717 . 1 . 1 59 59 ILE H H 1 6.637 0.003 . 1 . . . . . 86 ILE H . 52871 1 718 . 1 . 1 59 59 ILE HA H 1 3.318 0.004 . 1 . . . . . 86 ILE HA . 52871 1 719 . 1 . 1 59 59 ILE HB H 1 1.410 0.007 . 1 . . . . . 86 ILE HB . 52871 1 720 . 1 . 1 59 59 ILE HG12 H 1 0.440 0.003 . 2 . . . . . 86 ILE HG12 . 52871 1 721 . 1 . 1 59 59 ILE HG13 H 1 0.297 0.005 . 2 . . . . . 86 ILE HG13 . 52871 1 722 . 1 . 1 59 59 ILE HG21 H 1 -0.525 0.005 . 1 . . . . . 86 ILE QG2 . 52871 1 723 . 1 . 1 59 59 ILE HG22 H 1 -0.525 0.005 . 1 . . . . . 86 ILE QG2 . 52871 1 724 . 1 . 1 59 59 ILE HG23 H 1 -0.525 0.005 . 1 . . . . . 86 ILE QG2 . 52871 1 725 . 1 . 1 59 59 ILE HD11 H 1 0.086 0.005 . 1 . . . . . 86 ILE QD1 . 52871 1 726 . 1 . 1 59 59 ILE HD12 H 1 0.086 0.005 . 1 . . . . . 86 ILE QD1 . 52871 1 727 . 1 . 1 59 59 ILE HD13 H 1 0.086 0.005 . 1 . . . . . 86 ILE QD1 . 52871 1 728 . 1 . 1 59 59 ILE C C 13 177.529 0.007 . 1 . . . . . 86 ILE C . 52871 1 729 . 1 . 1 59 59 ILE CA C 13 64.150 0.072 . 1 . . . . . 86 ILE CA . 52871 1 730 . 1 . 1 59 59 ILE CB C 13 36.483 0.051 . 1 . . . . . 86 ILE CB . 52871 1 731 . 1 . 1 59 59 ILE CG1 C 13 27.851 0.004 . 1 . . . . . 86 ILE CG1 . 52871 1 732 . 1 . 1 59 59 ILE CG2 C 13 16.794 0.000 . 1 . . . . . 86 ILE CG2 . 52871 1 733 . 1 . 1 59 59 ILE CD1 C 13 11.757 0.008 . 1 . . . . . 86 ILE CD . 52871 1 734 . 1 . 1 59 59 ILE N N 15 124.773 0.051 . 1 . . . . . 86 ILE N . 52871 1 735 . 1 . 1 60 60 THR H H 1 7.693 0.002 . 1 . . . . . 87 THR H . 52871 1 736 . 1 . 1 60 60 THR HA H 1 3.444 0.004 . 1 . . . . . 87 THR HA . 52871 1 737 . 1 . 1 60 60 THR HB H 1 4.224 0.008 . 1 . . . . . 87 THR HB . 52871 1 738 . 1 . 1 60 60 THR HG21 H 1 1.242 0.006 . 1 . . . . . 87 THR QG2 . 52871 1 739 . 1 . 1 60 60 THR HG22 H 1 1.242 0.006 . 1 . . . . . 87 THR QG2 . 52871 1 740 . 1 . 1 60 60 THR HG23 H 1 1.242 0.006 . 1 . . . . . 87 THR QG2 . 52871 1 741 . 1 . 1 60 60 THR C C 13 175.606 0.000 . 1 . . . . . 87 THR C . 52871 1 742 . 1 . 1 60 60 THR CA C 13 66.347 0.076 . 1 . . . . . 87 THR CA . 52871 1 743 . 1 . 1 60 60 THR CB C 13 67.999 0.058 . 1 . . . . . 87 THR CB . 52871 1 744 . 1 . 1 60 60 THR CG2 C 13 23.677 0.220 . 1 . . . . . 87 THR CG2 . 52871 1 745 . 1 . 1 60 60 THR N N 15 117.469 0.050 . 1 . . . . . 87 THR N . 52871 1 746 . 1 . 1 61 61 LYS H H 1 8.260 0.003 . 1 . . . . . 88 LYS H . 52871 1 747 . 1 . 1 61 61 LYS HA H 1 3.851 0.004 . 1 . . . . . 88 LYS HA . 52871 1 748 . 1 . 1 61 61 LYS HB2 H 1 1.612 0.000 . 2 . . . . . 88 LYS HB2 . 52871 1 749 . 1 . 1 61 61 LYS HB3 H 1 1.583 0.003 . 2 . . . . . 88 LYS HB3 . 52871 1 750 . 1 . 1 61 61 LYS HG2 H 1 1.325 0.004 . 1 . . . . . 88 LYS QG . 52871 1 751 . 1 . 1 61 61 LYS HG3 H 1 1.325 0.004 . 1 . . . . . 88 LYS QG . 52871 1 752 . 1 . 1 61 61 LYS HD2 H 1 1.699 0.000 . 2 . . . . . 88 LYS HD2 . 52871 1 753 . 1 . 1 61 61 LYS HD3 H 1 1.571 0.001 . 2 . . . . . 88 LYS HD3 . 52871 1 754 . 1 . 1 61 61 LYS HE2 H 1 3.034 0.001 . 1 . . . . . 88 LYS QE . 52871 1 755 . 1 . 1 61 61 LYS HE3 H 1 3.034 0.001 . 1 . . . . . 88 LYS QE . 52871 1 756 . 1 . 1 61 61 LYS C C 13 176.556 0.004 . 1 . . . . . 88 LYS C . 52871 1 757 . 1 . 1 61 61 LYS CA C 13 58.761 0.053 . 1 . . . . . 88 LYS CA . 52871 1 758 . 1 . 1 61 61 LYS CB C 13 32.412 0.078 . 1 . . . . . 88 LYS CB . 52871 1 759 . 1 . 1 61 61 LYS CG C 13 24.739 0.022 . 1 . . . . . 88 LYS CG . 52871 1 760 . 1 . 1 61 61 LYS CD C 13 28.964 0.087 . 1 . . . . . 88 LYS CD . 52871 1 761 . 1 . 1 61 61 LYS CE C 13 42.332 0.018 . 1 . . . . . 88 LYS CE . 52871 1 762 . 1 . 1 61 61 LYS N N 15 120.417 0.047 . 1 . . . . . 88 LYS N . 52871 1 763 . 1 . 1 62 62 ARG H H 1 6.908 0.003 . 1 . . . . . 89 ARG H . 52871 1 764 . 1 . 1 62 62 ARG HA H 1 4.003 0.003 . 1 . . . . . 89 ARG HA . 52871 1 765 . 1 . 1 62 62 ARG HB2 H 1 1.793 0.001 . 1 . . . . . 89 ARG QB . 52871 1 766 . 1 . 1 62 62 ARG HB3 H 1 1.793 0.001 . 1 . . . . . 89 ARG QB . 52871 1 767 . 1 . 1 62 62 ARG HG2 H 1 1.632 0.000 . 1 . . . . . 89 ARG QG . 52871 1 768 . 1 . 1 62 62 ARG HG3 H 1 1.632 0.000 . 1 . . . . . 89 ARG QG . 52871 1 769 . 1 . 1 62 62 ARG HD2 H 1 3.203 0.005 . 2 . . . . . 89 ARG HD2 . 52871 1 770 . 1 . 1 62 62 ARG HD3 H 1 3.110 0.001 . 2 . . . . . 89 ARG HD3 . 52871 1 771 . 1 . 1 62 62 ARG C C 13 178.060 0.014 . 1 . . . . . 89 ARG C . 52871 1 772 . 1 . 1 62 62 ARG CA C 13 58.532 0.066 . 1 . . . . . 89 ARG CA . 52871 1 773 . 1 . 1 62 62 ARG CB C 13 29.525 0.056 . 1 . . . . . 89 ARG CB . 52871 1 774 . 1 . 1 62 62 ARG CG C 13 27.110 0.166 . 1 . . . . . 89 ARG CG . 52871 1 775 . 1 . 1 62 62 ARG CD C 13 43.245 0.057 . 1 . . . . . 89 ARG CD . 52871 1 776 . 1 . 1 62 62 ARG N N 15 117.644 0.035 . 1 . . . . . 89 ARG N . 52871 1 777 . 1 . 1 63 63 LEU H H 1 7.167 0.003 . 1 . . . . . 90 LEU H . 52871 1 778 . 1 . 1 63 63 LEU HA H 1 3.781 0.005 . 1 . . . . . 90 LEU HA . 52871 1 779 . 1 . 1 63 63 LEU HB2 H 1 1.321 0.005 . 2 . . . . . 90 LEU HB2 . 52871 1 780 . 1 . 1 63 63 LEU HB3 H 1 1.179 0.003 . 2 . . . . . 90 LEU HB3 . 52871 1 781 . 1 . 1 63 63 LEU HG H 1 1.050 0.005 . 1 . . . . . 90 LEU HG . 52871 1 782 . 1 . 1 63 63 LEU HD11 H 1 0.112 0.008 . 2 . . . . . 90 LEU QD1 . 52871 1 783 . 1 . 1 63 63 LEU HD12 H 1 0.112 0.008 . 2 . . . . . 90 LEU QD1 . 52871 1 784 . 1 . 1 63 63 LEU HD13 H 1 0.112 0.008 . 2 . . . . . 90 LEU QD1 . 52871 1 785 . 1 . 1 63 63 LEU HD21 H 1 0.084 0.003 . 2 . . . . . 90 LEU QD2 . 52871 1 786 . 1 . 1 63 63 LEU HD22 H 1 0.084 0.003 . 2 . . . . . 90 LEU QD2 . 52871 1 787 . 1 . 1 63 63 LEU HD23 H 1 0.084 0.003 . 2 . . . . . 90 LEU QD2 . 52871 1 788 . 1 . 1 63 63 LEU C C 13 177.120 0.008 . 1 . . . . . 90 LEU C . 52871 1 789 . 1 . 1 63 63 LEU CA C 13 57.600 0.038 . 1 . . . . . 90 LEU CA . 52871 1 790 . 1 . 1 63 63 LEU CB C 13 42.098 0.041 . 1 . . . . . 90 LEU CB . 52871 1 791 . 1 . 1 63 63 LEU CG C 13 26.669 0.082 . 1 . . . . . 90 LEU CG . 52871 1 792 . 1 . 1 63 63 LEU CD1 C 13 24.078 0.041 . 2 . . . . . 90 LEU CD1 . 52871 1 793 . 1 . 1 63 63 LEU CD2 C 13 24.506 0.004 . 2 . . . . . 90 LEU CD2 . 52871 1 794 . 1 . 1 63 63 LEU N N 15 118.104 0.052 . 1 . . . . . 90 LEU N . 52871 1 795 . 1 . 1 64 64 SER H H 1 8.224 0.003 . 1 . . . . . 91 SER H . 52871 1 796 . 1 . 1 64 64 SER HA H 1 3.728 0.006 . 1 . . . . . 91 SER HA . 52871 1 797 . 1 . 1 64 64 SER HB2 H 1 3.922 0.003 . 2 . . . . . 91 SER HB2 . 52871 1 798 . 1 . 1 64 64 SER HB3 H 1 3.750 0.003 . 2 . . . . . 91 SER HB3 . 52871 1 799 . 1 . 1 64 64 SER C C 13 175.681 0.000 . 1 . . . . . 91 SER C . 52871 1 800 . 1 . 1 64 64 SER CA C 13 61.396 0.088 . 1 . . . . . 91 SER CA . 52871 1 801 . 1 . 1 64 64 SER CB C 13 63.231 0.029 . 1 . . . . . 91 SER CB . 52871 1 802 . 1 . 1 64 64 SER N N 15 110.308 0.029 . 1 . . . . . 91 SER N . 52871 1 803 . 1 . 1 65 65 ASP H H 1 8.335 0.003 . 1 . . . . . 92 ASP H . 52871 1 804 . 1 . 1 65 65 ASP HA H 1 4.420 0.005 . 1 . . . . . 92 ASP HA . 52871 1 805 . 1 . 1 65 65 ASP HB2 H 1 2.737 0.009 . 2 . . . . . 92 ASP HB2 . 52871 1 806 . 1 . 1 65 65 ASP HB3 H 1 2.624 0.004 . 2 . . . . . 92 ASP HB3 . 52871 1 807 . 1 . 1 65 65 ASP C C 13 177.304 0.007 . 1 . . . . . 92 ASP C . 52871 1 808 . 1 . 1 65 65 ASP CA C 13 55.213 0.076 . 1 . . . . . 92 ASP CA . 52871 1 809 . 1 . 1 65 65 ASP CB C 13 40.382 0.027 . 1 . . . . . 92 ASP CB . 52871 1 810 . 1 . 1 65 65 ASP N N 15 119.080 0.044 . 1 . . . . . 92 ASP N . 52871 1 811 . 1 . 1 66 66 ASP H H 1 7.329 0.004 . 1 . . . . . 93 ASP H . 52871 1 812 . 1 . 1 66 66 ASP HA H 1 4.385 0.008 . 1 . . . . . 93 ASP HA . 52871 1 813 . 1 . 1 66 66 ASP HB2 H 1 2.839 0.005 . 2 . . . . . 93 ASP HB2 . 52871 1 814 . 1 . 1 66 66 ASP HB3 H 1 2.379 0.004 . 2 . . . . . 93 ASP HB3 . 52871 1 815 . 1 . 1 66 66 ASP C C 13 178.589 0.003 . 1 . . . . . 93 ASP C . 52871 1 816 . 1 . 1 66 66 ASP CA C 13 55.169 0.089 . 1 . . . . . 93 ASP CA . 52871 1 817 . 1 . 1 66 66 ASP CB C 13 43.683 0.024 . 1 . . . . . 93 ASP CB . 52871 1 818 . 1 . 1 66 66 ASP N N 15 123.441 0.046 . 1 . . . . . 93 ASP N . 52871 1 819 . 1 . 1 67 67 ASP H H 1 8.869 0.003 . 1 . . . . . 94 ASP H . 52871 1 820 . 1 . 1 67 67 ASP HA H 1 4.443 0.007 . 1 . . . . . 94 ASP HA . 52871 1 821 . 1 . 1 67 67 ASP HB2 H 1 2.674 0.002 . 1 . . . . . 94 ASP QB . 52871 1 822 . 1 . 1 67 67 ASP HB3 H 1 2.674 0.002 . 1 . . . . . 94 ASP QB . 52871 1 823 . 1 . 1 67 67 ASP C C 13 177.472 0.005 . 1 . . . . . 94 ASP C . 52871 1 824 . 1 . 1 67 67 ASP CA C 13 56.697 0.046 . 1 . . . . . 94 ASP CA . 52871 1 825 . 1 . 1 67 67 ASP CB C 13 40.719 0.053 . 1 . . . . . 94 ASP CB . 52871 1 826 . 1 . 1 67 67 ASP N N 15 128.443 0.034 . 1 . . . . . 94 ASP N . 52871 1 827 . 1 . 1 68 68 ARG H H 1 9.443 0.002 . 1 . . . . . 95 ARG H . 52871 1 828 . 1 . 1 68 68 ARG HA H 1 4.123 0.004 . 1 . . . . . 95 ARG HA . 52871 1 829 . 1 . 1 68 68 ARG HB2 H 1 1.904 0.014 . 1 . . . . . 95 ARG QB . 52871 1 830 . 1 . 1 68 68 ARG HB3 H 1 1.904 0.014 . 1 . . . . . 95 ARG QB . 52871 1 831 . 1 . 1 68 68 ARG HG2 H 1 1.660 0.006 . 1 . . . . . 95 ARG QG . 52871 1 832 . 1 . 1 68 68 ARG HG3 H 1 1.660 0.006 . 1 . . . . . 95 ARG QG . 52871 1 833 . 1 . 1 68 68 ARG HD2 H 1 3.341 0.005 . 2 . . . . . 95 ARG HD2 . 52871 1 834 . 1 . 1 68 68 ARG HD3 H 1 2.740 0.001 . 2 . . . . . 95 ARG HD3 . 52871 1 835 . 1 . 1 68 68 ARG HE H 1 8.782 0.002 . 1 . . . . . 95 ARG HE . 52871 1 836 . 1 . 1 68 68 ARG C C 13 175.018 0.003 . 1 . . . . . 95 ARG C . 52871 1 837 . 1 . 1 68 68 ARG CA C 13 56.451 0.047 . 1 . . . . . 95 ARG CA . 52871 1 838 . 1 . 1 68 68 ARG CB C 13 31.704 0.021 . 1 . . . . . 95 ARG CB . 52871 1 839 . 1 . 1 68 68 ARG CG C 13 26.263 0.134 . 1 . . . . . 95 ARG CG . 52871 1 840 . 1 . 1 68 68 ARG CD C 13 43.243 0.090 . 1 . . . . . 95 ARG CD . 52871 1 841 . 1 . 1 68 68 ARG N N 15 118.268 0.032 . 1 . . . . . 95 ARG N . 52871 1 842 . 1 . 1 68 68 ARG NE N 15 85.022 0.033 . 1 . . . . . 95 ARG NE . 52871 1 843 . 1 . 1 69 69 VAL H H 1 7.515 0.006 . 1 . . . . . 96 VAL H . 52871 1 844 . 1 . 1 69 69 VAL HA H 1 4.325 0.006 . 1 . . . . . 96 VAL HA . 52871 1 845 . 1 . 1 69 69 VAL HB H 1 2.305 0.005 . 1 . . . . . 96 VAL HB . 52871 1 846 . 1 . 1 69 69 VAL HG11 H 1 0.570 0.004 . 2 . . . . . 96 VAL QG1 . 52871 1 847 . 1 . 1 69 69 VAL HG12 H 1 0.570 0.004 . 2 . . . . . 96 VAL QG1 . 52871 1 848 . 1 . 1 69 69 VAL HG13 H 1 0.570 0.004 . 2 . . . . . 96 VAL QG1 . 52871 1 849 . 1 . 1 69 69 VAL HG21 H 1 0.640 0.004 . 2 . . . . . 96 VAL QG2 . 52871 1 850 . 1 . 1 69 69 VAL HG22 H 1 0.640 0.004 . 2 . . . . . 96 VAL QG2 . 52871 1 851 . 1 . 1 69 69 VAL HG23 H 1 0.640 0.004 . 2 . . . . . 96 VAL QG2 . 52871 1 852 . 1 . 1 69 69 VAL C C 13 175.958 0.010 . 1 . . . . . 96 VAL C . 52871 1 853 . 1 . 1 69 69 VAL CA C 13 60.691 0.057 . 1 . . . . . 96 VAL CA . 52871 1 854 . 1 . 1 69 69 VAL CB C 13 33.753 0.093 . 1 . . . . . 96 VAL CB . 52871 1 855 . 1 . 1 69 69 VAL CG1 C 13 23.038 0.036 . 2 . . . . . 96 VAL CG1 . 52871 1 856 . 1 . 1 69 69 VAL CG2 C 13 21.237 0.027 . 2 . . . . . 96 VAL CG2 . 52871 1 857 . 1 . 1 69 69 VAL N N 15 119.337 0.040 . 1 . . . . . 96 VAL N . 52871 1 858 . 1 . 1 70 70 ILE H H 1 8.553 0.002 . 1 . . . . . 97 ILE H . 52871 1 859 . 1 . 1 70 70 ILE HA H 1 4.331 0.005 . 1 . . . . . 97 ILE HA . 52871 1 860 . 1 . 1 70 70 ILE HB H 1 1.862 0.003 . 1 . . . . . 97 ILE HB . 52871 1 861 . 1 . 1 70 70 ILE HG12 H 1 1.470 0.006 . 2 . . . . . 97 ILE HG12 . 52871 1 862 . 1 . 1 70 70 ILE HG13 H 1 1.142 0.011 . 2 . . . . . 97 ILE HG13 . 52871 1 863 . 1 . 1 70 70 ILE HG21 H 1 1.041 0.003 . 1 . . . . . 97 ILE QG2 . 52871 1 864 . 1 . 1 70 70 ILE HG22 H 1 1.041 0.003 . 1 . . . . . 97 ILE QG2 . 52871 1 865 . 1 . 1 70 70 ILE HG23 H 1 1.041 0.003 . 1 . . . . . 97 ILE QG2 . 52871 1 866 . 1 . 1 70 70 ILE HD11 H 1 0.823 0.000 . 1 . . . . . 97 ILE QD1 . 52871 1 867 . 1 . 1 70 70 ILE HD12 H 1 0.823 0.000 . 1 . . . . . 97 ILE QD1 . 52871 1 868 . 1 . 1 70 70 ILE HD13 H 1 0.823 0.000 . 1 . . . . . 97 ILE QD1 . 52871 1 869 . 1 . 1 70 70 ILE C C 13 176.406 0.015 . 1 . . . . . 97 ILE C . 52871 1 870 . 1 . 1 70 70 ILE CA C 13 62.161 0.096 . 1 . . . . . 97 ILE CA . 52871 1 871 . 1 . 1 70 70 ILE CB C 13 38.427 0.037 . 1 . . . . . 97 ILE CB . 52871 1 872 . 1 . 1 70 70 ILE CG1 C 13 27.540 0.190 . 1 . . . . . 97 ILE CG1 . 52871 1 873 . 1 . 1 70 70 ILE CG2 C 13 17.760 0.007 . 1 . . . . . 97 ILE CG2 . 52871 1 874 . 1 . 1 70 70 ILE CD1 C 13 12.043 0.000 . 1 . . . . . 97 ILE CD1 . 52871 1 875 . 1 . 1 70 70 ILE N N 15 122.781 0.038 . 1 . . . . . 97 ILE N . 52871 1 876 . 1 . 1 71 71 TRP H H 1 7.167 0.002 . 1 . . . . . 98 TRP H . 52871 1 877 . 1 . 1 71 71 TRP HA H 1 4.703 0.007 . 1 . . . . . 98 TRP HA . 52871 1 878 . 1 . 1 71 71 TRP HB2 H 1 3.553 0.002 . 2 . . . . . 98 TRP HB2 . 52871 1 879 . 1 . 1 71 71 TRP HB3 H 1 3.213 0.004 . 2 . . . . . 98 TRP HB3 . 52871 1 880 . 1 . 1 71 71 TRP HD1 H 1 7.241 0.005 . 1 . . . . . 98 TRP HD1 . 52871 1 881 . 1 . 1 71 71 TRP HE1 H 1 10.401 0.005 . 1 . . . . . 98 TRP HE1 . 52871 1 882 . 1 . 1 71 71 TRP HE3 H 1 7.229 0.003 . 1 . . . . . 98 TRP HE3 . 52871 1 883 . 1 . 1 71 71 TRP HZ2 H 1 7.322 0.003 . 1 . . . . . 98 TRP HZ2 . 52871 1 884 . 1 . 1 71 71 TRP HZ3 H 1 6.815 0.004 . 1 . . . . . 98 TRP HZ3 . 52871 1 885 . 1 . 1 71 71 TRP HH2 H 1 7.077 0.006 . 1 . . . . . 98 TRP HH2 . 52871 1 886 . 1 . 1 71 71 TRP C C 13 172.759 0.015 . 1 . . . . . 98 TRP C . 52871 1 887 . 1 . 1 71 71 TRP CA C 13 56.177 0.018 . 1 . . . . . 98 TRP CA . 52871 1 888 . 1 . 1 71 71 TRP CB C 13 31.704 0.024 . 1 . . . . . 98 TRP CB . 52871 1 889 . 1 . 1 71 71 TRP CD1 C 13 127.787 0.046 . 1 . . . . . 98 TRP CD1 . 52871 1 890 . 1 . 1 71 71 TRP CE3 C 13 120.124 0.000 . 1 . . . . . 98 TRP CE3 . 52871 1 891 . 1 . 1 71 71 TRP CZ2 C 13 115.204 0.000 . 1 . . . . . 98 TRP CZ2 . 52871 1 892 . 1 . 1 71 71 TRP CZ3 C 13 121.336 0.000 . 1 . . . . . 98 TRP CZ3 . 52871 1 893 . 1 . 1 71 71 TRP CH2 C 13 123.966 0.049 . 1 . . . . . 98 TRP CH2 . 52871 1 894 . 1 . 1 71 71 TRP N N 15 118.778 0.051 . 1 . . . . . 98 TRP N . 52871 1 895 . 1 . 1 71 71 TRP NE1 N 15 131.093 0.017 . 1 . . . . . 98 TRP NE1 . 52871 1 896 . 1 . 1 72 72 ALA H H 1 7.914 0.002 . 1 . . . . . 99 ALA H . 52871 1 897 . 1 . 1 72 72 ALA HA H 1 5.110 0.005 . 1 . . . . . 99 ALA HA . 52871 1 898 . 1 . 1 72 72 ALA HB1 H 1 1.222 0.005 . 1 . . . . . 99 ALA HB# . 52871 1 899 . 1 . 1 72 72 ALA HB2 H 1 1.222 0.005 . 1 . . . . . 99 ALA HB# . 52871 1 900 . 1 . 1 72 72 ALA HB3 H 1 1.222 0.005 . 1 . . . . . 99 ALA HB# . 52871 1 901 . 1 . 1 72 72 ALA C C 13 175.683 0.000 . 1 . . . . . 99 ALA C . 52871 1 902 . 1 . 1 72 72 ALA CA C 13 51.654 0.055 . 1 . . . . . 99 ALA CA . 52871 1 903 . 1 . 1 72 72 ALA CB C 13 23.757 0.082 . 1 . . . . . 99 ALA CB . 52871 1 904 . 1 . 1 72 72 ALA N N 15 123.721 0.063 . 1 . . . . . 99 ALA N . 52871 1 905 . 1 . 1 73 73 GLU H H 1 8.758 0.005 . 1 . . . . . 100 GLU H . 52871 1 906 . 1 . 1 73 73 GLU HA H 1 4.501 0.004 . 1 . . . . . 100 GLU HA . 52871 1 907 . 1 . 1 73 73 GLU HB2 H 1 2.275 0.003 . 2 . . . . . 100 GLU HB2 . 52871 1 908 . 1 . 1 73 73 GLU HB3 H 1 1.857 0.004 . 2 . . . . . 100 GLU HB3 . 52871 1 909 . 1 . 1 73 73 GLU HG2 H 1 2.285 0.007 . 1 . . . . . 100 GLU QG . 52871 1 910 . 1 . 1 73 73 GLU HG3 H 1 2.285 0.007 . 1 . . . . . 100 GLU QG . 52871 1 911 . 1 . 1 73 73 GLU C C 13 175.542 0.000 . 1 . . . . . 100 GLU C . 52871 1 912 . 1 . 1 73 73 GLU CA C 13 56.099 0.048 . 1 . . . . . 100 GLU CA . 52871 1 913 . 1 . 1 73 73 GLU CB C 13 35.226 0.054 . 1 . . . . . 100 GLU CB . 52871 1 914 . 1 . 1 73 73 GLU CG C 13 36.882 0.045 . 1 . . . . . 100 GLU CG . 52871 1 915 . 1 . 1 73 73 GLU N N 15 117.236 0.029 . 1 . . . . . 100 GLU N . 52871 1 916 . 1 . 1 74 74 GLN H H 1 9.160 0.003 . 1 . . . . . 101 GLN H . 52871 1 917 . 1 . 1 74 74 GLN HA H 1 3.236 0.010 . 1 . . . . . 101 GLN HA . 52871 1 918 . 1 . 1 74 74 GLN HB2 H 1 1.767 0.003 . 1 . . . . . 101 GLN QB . 52871 1 919 . 1 . 1 74 74 GLN HB3 H 1 1.767 0.003 . 1 . . . . . 101 GLN QB . 52871 1 920 . 1 . 1 74 74 GLN HG2 H 1 2.780 0.006 . 2 . . . . . 101 GLN HG2 . 52871 1 921 . 1 . 1 74 74 GLN HG3 H 1 0.826 0.006 . 2 . . . . . 101 GLN HG3 . 52871 1 922 . 1 . 1 74 74 GLN HE21 H 1 7.385 0.006 . 2 . . . . . 101 GLN HE21 . 52871 1 923 . 1 . 1 74 74 GLN HE22 H 1 7.203 0.003 . 2 . . . . . 101 GLN HE22 . 52871 1 924 . 1 . 1 74 74 GLN C C 13 175.411 0.009 . 1 . . . . . 101 GLN C . 52871 1 925 . 1 . 1 74 74 GLN CA C 13 56.840 0.113 . 1 . . . . . 101 GLN CA . 52871 1 926 . 1 . 1 74 74 GLN CB C 13 27.688 0.051 . 1 . . . . . 101 GLN CB . 52871 1 927 . 1 . 1 74 74 GLN CG C 13 33.001 0.041 . 1 . . . . . 101 GLN CG . 52871 1 928 . 1 . 1 74 74 GLN N N 15 132.057 0.033 . 1 . . . . . 101 GLN N . 52871 1 929 . 1 . 1 74 74 GLN NE2 N 15 111.022 0.057 . 1 . . . . . 101 GLN NE2 . 52871 1 930 . 1 . 1 75 75 GLN H H 1 8.474 0.002 . 1 . . . . . 102 GLN H . 52871 1 931 . 1 . 1 75 75 GLN HA H 1 4.301 0.006 . 1 . . . . . 102 GLN HA . 52871 1 932 . 1 . 1 75 75 GLN HB2 H 1 1.854 0.003 . 1 . . . . . 102 GLN QB . 52871 1 933 . 1 . 1 75 75 GLN HB3 H 1 1.854 0.003 . 1 . . . . . 102 GLN QB . 52871 1 934 . 1 . 1 75 75 GLN HG2 H 1 2.281 0.004 . 2 . . . . . 102 GLN HG2 . 52871 1 935 . 1 . 1 75 75 GLN HG3 H 1 2.037 0.004 . 2 . . . . . 102 GLN HG3 . 52871 1 936 . 1 . 1 75 75 GLN HE21 H 1 7.931 0.005 . 2 . . . . . 102 GLN HE21 . 52871 1 937 . 1 . 1 75 75 GLN HE22 H 1 6.668 0.004 . 2 . . . . . 102 GLN HE22 . 52871 1 938 . 1 . 1 75 75 GLN C C 13 174.523 0.005 . 1 . . . . . 102 GLN C . 52871 1 939 . 1 . 1 75 75 GLN CA C 13 54.326 0.040 . 1 . . . . . 102 GLN CA . 52871 1 940 . 1 . 1 75 75 GLN CB C 13 30.731 0.104 . 1 . . . . . 102 GLN CB . 52871 1 941 . 1 . 1 75 75 GLN CG C 13 34.634 0.101 . 1 . . . . . 102 GLN CG . 52871 1 942 . 1 . 1 75 75 GLN N N 15 124.260 0.034 . 1 . . . . . 102 GLN N . 52871 1 943 . 1 . 1 75 75 GLN NE2 N 15 117.498 0.024 . 1 . . . . . 102 GLN NE2 . 52871 1 944 . 1 . 1 76 76 TYR H H 1 7.931 0.003 . 1 . . . . . 103 TYR H . 52871 1 945 . 1 . 1 76 76 TYR HA H 1 5.003 0.007 . 1 . . . . . 103 TYR HA . 52871 1 946 . 1 . 1 76 76 TYR HB2 H 1 2.630 0.004 . 2 . . . . . 103 TYR HB2 . 52871 1 947 . 1 . 1 76 76 TYR HB3 H 1 2.449 0.005 . 2 . . . . . 103 TYR HB3 . 52871 1 948 . 1 . 1 76 76 TYR HD1 H 1 6.697 0.005 . 1 . . . . . 103 TYR QD . 52871 1 949 . 1 . 1 76 76 TYR HD2 H 1 6.697 0.005 . 1 . . . . . 103 TYR QD . 52871 1 950 . 1 . 1 76 76 TYR HE1 H 1 6.507 0.005 . 1 . . . . . 103 TYR QE . 52871 1 951 . 1 . 1 76 76 TYR HE2 H 1 6.507 0.005 . 1 . . . . . 103 TYR QE . 52871 1 952 . 1 . 1 76 76 TYR C C 13 175.788 0.003 . 1 . . . . . 103 TYR C . 52871 1 953 . 1 . 1 76 76 TYR CA C 13 56.314 0.015 . 1 . . . . . 103 TYR CA . 52871 1 954 . 1 . 1 76 76 TYR CB C 13 40.853 0.031 . 1 . . . . . 103 TYR CB . 52871 1 955 . 1 . 1 76 76 TYR CD1 C 13 133.136 0.033 . 1 . . . . . 103 TYR CD . 52871 1 956 . 1 . 1 76 76 TYR CD2 C 13 133.136 0.033 . 1 . . . . . 103 TYR CD . 52871 1 957 . 1 . 1 76 76 TYR CE1 C 13 118.169 0.000 . 1 . . . . . 103 TYR CE . 52871 1 958 . 1 . 1 76 76 TYR CE2 C 13 118.169 0.000 . 1 . . . . . 103 TYR CE . 52871 1 959 . 1 . 1 76 76 TYR N N 15 115.760 0.039 . 1 . . . . . 103 TYR N . 52871 1 960 . 1 . 1 77 77 GLU H H 1 8.685 0.003 . 1 . . . . . 104 GLU H . 52871 1 961 . 1 . 1 77 77 GLU HA H 1 4.207 0.003 . 1 . . . . . 104 GLU HA . 52871 1 962 . 1 . 1 77 77 GLU HB2 H 1 1.901 0.001 . 1 . . . . . 104 GLU QB . 52871 1 963 . 1 . 1 77 77 GLU HB3 H 1 1.901 0.001 . 1 . . . . . 104 GLU QB . 52871 1 964 . 1 . 1 77 77 GLU HG2 H 1 2.250 0.014 . 2 . . . . . 104 GLU HG2 . 52871 1 965 . 1 . 1 77 77 GLU HG3 H 1 2.447 0.004 . 2 . . . . . 104 GLU HG3 . 52871 1 966 . 1 . 1 77 77 GLU C C 13 175.808 0.002 . 1 . . . . . 104 GLU C . 52871 1 967 . 1 . 1 77 77 GLU CA C 13 56.104 0.198 . 1 . . . . . 104 GLU CA . 52871 1 968 . 1 . 1 77 77 GLU CB C 13 30.975 0.080 . 1 . . . . . 104 GLU CB . 52871 1 969 . 1 . 1 77 77 GLU CG C 13 36.312 0.015 . 1 . . . . . 104 GLU CG . 52871 1 970 . 1 . 1 77 77 GLU N N 15 120.085 0.038 . 1 . . . . . 104 GLU N . 52871 1 971 . 1 . 1 78 78 LYS H H 1 8.592 0.004 . 1 . . . . . 105 LYS H . 52871 1 972 . 1 . 1 78 78 LYS HA H 1 4.290 0.001 . 1 . . . . . 105 LYS HA . 52871 1 973 . 1 . 1 78 78 LYS HB2 H 1 1.826 0.000 . 1 . . . . . 105 LYS QB . 52871 1 974 . 1 . 1 78 78 LYS HB3 H 1 1.826 0.000 . 1 . . . . . 105 LYS QB . 52871 1 975 . 1 . 1 78 78 LYS HG2 H 1 1.430 0.000 . 1 . . . . . 105 LYS QG . 52871 1 976 . 1 . 1 78 78 LYS HG3 H 1 1.430 0.000 . 1 . . . . . 105 LYS QG . 52871 1 977 . 1 . 1 78 78 LYS C C 13 176.481 0.008 . 1 . . . . . 105 LYS C . 52871 1 978 . 1 . 1 78 78 LYS CA C 13 56.405 0.034 . 1 . . . . . 105 LYS CA . 52871 1 979 . 1 . 1 78 78 LYS CB C 13 33.257 0.047 . 1 . . . . . 105 LYS CB . 52871 1 980 . 1 . 1 78 78 LYS CG C 13 24.880 0.045 . 1 . . . . . 105 LYS CG . 52871 1 981 . 1 . 1 78 78 LYS CD C 13 29.139 0.000 . 1 . . . . . 105 LYS CD . 52871 1 982 . 1 . 1 78 78 LYS CE C 13 42.009 0.000 . 1 . . . . . 105 LYS CE . 52871 1 983 . 1 . 1 78 78 LYS N N 15 124.185 0.043 . 1 . . . . . 105 LYS N . 52871 1 984 . 1 . 1 79 79 GLU H H 1 8.524 0.003 . 1 . . . . . 106 GLU H . 52871 1 985 . 1 . 1 79 79 GLU C C 13 176.404 0.011 . 1 . . . . . 106 GLU C . 52871 1 986 . 1 . 1 79 79 GLU CA C 13 56.568 0.016 . 1 . . . . . 106 GLU CA . 52871 1 987 . 1 . 1 79 79 GLU CB C 13 30.398 0.020 . 1 . . . . . 106 GLU CB . 52871 1 988 . 1 . 1 79 79 GLU N N 15 122.971 0.026 . 1 . . . . . 106 GLU N . 52871 1 989 . 1 . 1 80 80 ARG H H 1 8.574 0.008 . 1 . . . . . 107 ARG H . 52871 1 990 . 1 . 1 80 80 ARG CA C 13 56.325 0.022 . 1 . . . . . 107 ARG CA . 52871 1 991 . 1 . 1 80 80 ARG CB C 13 30.996 0.000 . 1 . . . . . 107 ARG CB . 52871 1 992 . 1 . 1 80 80 ARG N N 15 123.505 0.076 . 1 . . . . . 107 ARG N . 52871 1 993 . 1 . 1 81 81 SER HA H 1 4.386 0.006 . 1 . . . . . 108 SER HA . 52871 1 994 . 1 . 1 81 81 SER HB2 H 1 3.849 0.005 . 1 . . . . . 108 SER QB . 52871 1 995 . 1 . 1 81 81 SER HB3 H 1 3.849 0.005 . 1 . . . . . 108 SER QB . 52871 1 996 . 1 . 1 81 81 SER C C 13 174.373 0.000 . 1 . . . . . 108 SER C . 52871 1 997 . 1 . 1 81 81 SER CA C 13 58.581 0.085 . 1 . . . . . 108 SER CA . 52871 1 998 . 1 . 1 81 81 SER CB C 13 63.697 0.017 . 1 . . . . . 108 SER CB . 52871 1 999 . 1 . 1 82 82 LYS H H 1 8.379 0.005 . 1 . . . . . 109 LYS H . 52871 1 1000 . 1 . 1 82 82 LYS HA H 1 4.326 0.007 . 1 . . . . . 109 LYS HA . 52871 1 1001 . 1 . 1 82 82 LYS C C 13 175.592 0.016 . 1 . . . . . 109 LYS C . 52871 1 1002 . 1 . 1 82 82 LYS CA C 13 56.410 0.035 . 1 . . . . . 109 LYS CA . 52871 1 1003 . 1 . 1 82 82 LYS CB C 13 33.071 0.023 . 1 . . . . . 109 LYS CB . 52871 1 1004 . 1 . 1 82 82 LYS N N 15 123.903 0.005 . 1 . . . . . 109 LYS N . 52871 1 1005 . 1 . 1 83 83 ARG H H 1 7.987 0.002 . 1 . . . . . 110 ARG H . 52871 1 1006 . 1 . 1 83 83 ARG HA H 1 4.139 0.008 . 1 . . . . . 110 ARG HA . 52871 1 1007 . 1 . 1 83 83 ARG HB2 H 1 1.825 0.004 . 2 . . . . . 110 ARG HB2 . 52871 1 1008 . 1 . 1 83 83 ARG HB3 H 1 1.692 0.002 . 2 . . . . . 110 ARG HB3 . 52871 1 1009 . 1 . 1 83 83 ARG HG2 H 1 1.574 0.001 . 1 . . . . . 110 ARG QG . 52871 1 1010 . 1 . 1 83 83 ARG HG3 H 1 1.574 0.001 . 1 . . . . . 110 ARG QG . 52871 1 1011 . 1 . 1 83 83 ARG HD2 H 1 3.163 0.000 . 1 . . . . . 110 ARG QD . 52871 1 1012 . 1 . 1 83 83 ARG HD3 H 1 3.163 0.000 . 1 . . . . . 110 ARG QD . 52871 1 1013 . 1 . 1 83 83 ARG C C 13 181.040 0.000 . 1 . . . . . 110 ARG C . 52871 1 1014 . 1 . 1 83 83 ARG CA C 13 57.555 0.056 . 1 . . . . . 110 ARG CA . 52871 1 1015 . 1 . 1 83 83 ARG CB C 13 31.425 0.093 . 1 . . . . . 110 ARG CB . 52871 1 1016 . 1 . 1 83 83 ARG CG C 13 27.168 0.286 . 1 . . . . . 110 ARG CG . 52871 1 1017 . 1 . 1 83 83 ARG CD C 13 43.402 0.041 . 1 . . . . . 110 ARG CD . 52871 1 1018 . 1 . 1 83 83 ARG N N 15 127.631 0.040 . 1 . . . . . 110 ARG N . 52871 1 stop_ save_