################################### # 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_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 19989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19989 1 2 '2D 1H-13C HSQC' . . . 19989 1 3 '2D 1H-13C HSQC aliphatic' . . . 19989 1 4 '2D 1H-13C HSQC aromatic' . . . 19989 1 5 '2D 1H-1H TOCSY' . . . 19989 1 6 '2D 1H-1H NOESY' . . . 19989 1 7 '3D CBCA(CO)NH' . . . 19989 1 8 '3D C(CO)NH' . . . 19989 1 9 '3D HNCACB' . . . 19989 1 10 '3D HBHA(CO)NH' . . . 19989 1 11 '3D HNCA' . . . 19989 1 12 '3D H(CCO)NH' . . . 19989 1 13 '3D HCCH-TOCSY' . . . 19989 1 14 '3D 1H-15N NOESY' . . . 19989 1 15 '3D 1H-15N TOCSY' . . . 19989 1 16 '3D 1H-13C NOESY' . . . 19989 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 $SPARKY . . 19989 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.949 0.005 . . . . . A 1 GLY HA2 . 19989 1 2 . 1 1 1 1 GLY HA3 H 1 3.949 0.005 . . . . . A 1 GLY HA3 . 19989 1 3 . 1 1 1 1 GLY CA C 13 43.492 0.127 . . . . . A 1 GLY CA . 19989 1 4 . 1 1 2 2 PRO HA H 1 4.469 0.01 . . . . . A 2 PRO HA . 19989 1 5 . 1 1 2 2 PRO HB2 H 1 1.921 0.005 . . . . . A 2 PRO HB2 . 19989 1 6 . 1 1 2 2 PRO HB3 H 1 2.278 0.006 . . . . . A 2 PRO HB3 . 19989 1 7 . 1 1 2 2 PRO HG2 H 1 2.007 0.006 . . . . . A 2 PRO HG2 . 19989 1 8 . 1 1 2 2 PRO HG3 H 1 2.007 0.006 . . . . . A 2 PRO HG3 . 19989 1 9 . 1 1 2 2 PRO HD2 H 1 3.767 0.007 . . . . . A 2 PRO HD2 . 19989 1 10 . 1 1 2 2 PRO HD3 H 1 3.767 0.007 . . . . . A 2 PRO HD3 . 19989 1 11 . 1 1 2 2 PRO CA C 13 63.292 0.1 . . . . . A 2 PRO CA . 19989 1 12 . 1 1 2 2 PRO CB C 13 32.371 0.025 . . . . . A 2 PRO CB . 19989 1 13 . 1 1 2 2 PRO CG C 13 27.557 0.024 . . . . . A 2 PRO CG . 19989 1 14 . 1 1 2 2 PRO CD C 13 51.101 0.022 . . . . . A 2 PRO CD . 19989 1 15 . 1 1 2 2 PRO N N 15 134.478 0.03 . . . . . A 2 PRO N . 19989 1 16 . 1 1 3 3 ALA HA H 1 4.367 0.004 . . . . . A 3 ALA HA . 19989 1 17 . 1 1 3 3 ALA HB1 H 1 1.4 0.012 . . . . . A 3 ALA HB1 . 19989 1 18 . 1 1 3 3 ALA HB2 H 1 1.4 0.012 . . . . . A 3 ALA HB2 . 19989 1 19 . 1 1 3 3 ALA HB3 H 1 1.4 0.012 . . . . . A 3 ALA HB3 . 19989 1 20 . 1 1 3 3 ALA CA C 13 52.532 0.124 . . . . . A 3 ALA CA . 19989 1 21 . 1 1 3 3 ALA CB C 13 19.384 0.038 . . . . . A 3 ALA CB . 19989 1 22 . 1 1 3 3 ALA N N 15 124.06 0.046 . . . . . A 3 ALA N . 19989 1 23 . 1 1 4 4 SER HA H 1 4.465 0.001 . . . . . A 4 SER HA . 19989 1 24 . 1 1 4 4 SER HB2 H 1 3.842 0 . . . . . A 4 SER HB2 . 19989 1 25 . 1 1 4 4 SER HB3 H 1 3.842 0 . . . . . A 4 SER HB3 . 19989 1 26 . 1 1 4 4 SER CA C 13 58.115 0.021 . . . . . A 4 SER CA . 19989 1 27 . 1 1 4 4 SER CB C 13 63.932 0.085 . . . . . A 4 SER CB . 19989 1 28 . 1 1 4 4 SER N N 15 115.075 0.016 . . . . . A 4 SER N . 19989 1 29 . 1 1 5 5 VAL HA H 1 4.472 0.002 . . . . . A 5 VAL HA . 19989 1 30 . 1 1 5 5 VAL HB H 1 2.087 0.001 . . . . . A 5 VAL HB . 19989 1 31 . 1 1 5 5 VAL HG11 H 1 0.981 0 . . . . . A 5 VAL HG11 . 19989 1 32 . 1 1 5 5 VAL HG12 H 1 0.981 0 . . . . . A 5 VAL HG12 . 19989 1 33 . 1 1 5 5 VAL HG13 H 1 0.981 0 . . . . . A 5 VAL HG13 . 19989 1 34 . 1 1 5 5 VAL HG21 H 1 0.981 0 . . . . . A 5 VAL HG21 . 19989 1 35 . 1 1 5 5 VAL HG22 H 1 0.981 0 . . . . . A 5 VAL HG22 . 19989 1 36 . 1 1 5 5 VAL HG23 H 1 0.981 0 . . . . . A 5 VAL HG23 . 19989 1 37 . 1 1 5 5 VAL CA C 13 59.918 0.035 . . . . . A 5 VAL CA . 19989 1 38 . 1 1 5 5 VAL CB C 13 32.948 0.103 . . . . . A 5 VAL CB . 19989 1 39 . 1 1 5 5 VAL CG1 C 13 21.04 0.093 . . . . . A 5 VAL CG1 . 19989 1 40 . 1 1 5 5 VAL N N 15 122.575 0.022 . . . . . A 5 VAL N . 19989 1 41 . 1 1 6 6 PRO HA H 1 4.498 0.003 . . . . . A 6 PRO HA . 19989 1 42 . 1 1 6 6 PRO CA C 13 63.349 0.003 . . . . . A 6 PRO CA . 19989 1 43 . 1 1 6 6 PRO N N 15 139.629 0.04 . . . . . A 6 PRO N . 19989 1 44 . 1 1 11 11 PHE HA H 1 4.529 0.001 . . . . . A 11 PHE HA . 19989 1 45 . 1 1 11 11 PHE HB2 H 1 3.227 0.004 . . . . . A 11 PHE HB2 . 19989 1 46 . 1 1 11 11 PHE HB3 H 1 2.899 0.002 . . . . . A 11 PHE HB3 . 19989 1 47 . 1 1 11 11 PHE HD1 H 1 7.271 0.017 . . . . . A 11 PHE HD1 . 19989 1 48 . 1 1 11 11 PHE HD2 H 1 7.271 0.017 . . . . . A 11 PHE HD2 . 19989 1 49 . 1 1 11 11 PHE HE1 H 1 7.338 0.009 . . . . . A 11 PHE HE1 . 19989 1 50 . 1 1 11 11 PHE HE2 H 1 7.338 0.009 . . . . . A 11 PHE HE2 . 19989 1 51 . 1 1 11 11 PHE CA C 13 58.651 0 . . . . . A 11 PHE CA . 19989 1 52 . 1 1 11 11 PHE CB C 13 40.025 0.035 . . . . . A 11 PHE CB . 19989 1 53 . 1 1 12 12 ASN HA H 1 4.839 0.011 . . . . . A 12 ASN HA . 19989 1 54 . 1 1 12 12 ASN HB2 H 1 2.739 0.018 . . . . . A 12 ASN HB2 . 19989 1 55 . 1 1 12 12 ASN HB3 H 1 2.56 0.024 . . . . . A 12 ASN HB3 . 19989 1 56 . 1 1 12 12 ASN CA C 13 52.546 0.039 . . . . . A 12 ASN CA . 19989 1 57 . 1 1 12 12 ASN CB C 13 41.659 0.062 . . . . . A 12 ASN CB . 19989 1 58 . 1 1 12 12 ASN N N 15 114.142 0 . . . . . A 12 ASN N . 19989 1 59 . 1 1 13 13 LEU HA H 1 4.409 0.004 . . . . . A 13 LEU HA . 19989 1 60 . 1 1 13 13 LEU HB2 H 1 1.772 0.004 . . . . . A 13 LEU HB2 . 19989 1 61 . 1 1 13 13 LEU HB3 H 1 1.398 0.007 . . . . . A 13 LEU HB3 . 19989 1 62 . 1 1 13 13 LEU HG H 1 1.516 0.006 . . . . . A 13 LEU HG . 19989 1 63 . 1 1 13 13 LEU HD11 H 1 0.823 0.004 . . . . . A 13 LEU HD11 . 19989 1 64 . 1 1 13 13 LEU HD12 H 1 0.823 0.004 . . . . . A 13 LEU HD12 . 19989 1 65 . 1 1 13 13 LEU HD13 H 1 0.823 0.004 . . . . . A 13 LEU HD13 . 19989 1 66 . 1 1 13 13 LEU HD21 H 1 0.65 0.002 . . . . . A 13 LEU HD21 . 19989 1 67 . 1 1 13 13 LEU HD22 H 1 0.65 0.002 . . . . . A 13 LEU HD22 . 19989 1 68 . 1 1 13 13 LEU HD23 H 1 0.65 0.002 . . . . . A 13 LEU HD23 . 19989 1 69 . 1 1 13 13 LEU CA C 13 54.193 0.258 . . . . . A 13 LEU CA . 19989 1 70 . 1 1 13 13 LEU CB C 13 43.034 0.153 . . . . . A 13 LEU CB . 19989 1 71 . 1 1 13 13 LEU CG C 13 27.135 0.105 . . . . . A 13 LEU CG . 19989 1 72 . 1 1 13 13 LEU CD1 C 13 25.595 0.121 . . . . . A 13 LEU CD1 . 19989 1 73 . 1 1 13 13 LEU CD2 C 13 23.952 0.026 . . . . . A 13 LEU CD2 . 19989 1 74 . 1 1 13 13 LEU N N 15 121.265 0.018 . . . . . A 13 LEU N . 19989 1 75 . 1 1 14 14 ALA H H 1 8.801 0.003 . . . . . A 14 ALA H . 19989 1 76 . 1 1 14 14 ALA HA H 1 4.354 0.01 . . . . . A 14 ALA HA . 19989 1 77 . 1 1 14 14 ALA HB1 H 1 1.623 0.001 . . . . . A 14 ALA HB1 . 19989 1 78 . 1 1 14 14 ALA HB2 H 1 1.623 0.001 . . . . . A 14 ALA HB2 . 19989 1 79 . 1 1 14 14 ALA HB3 H 1 1.623 0.001 . . . . . A 14 ALA HB3 . 19989 1 80 . 1 1 14 14 ALA CA C 13 53.126 0.195 . . . . . A 14 ALA CA . 19989 1 81 . 1 1 14 14 ALA CB C 13 19.295 0.077 . . . . . A 14 ALA CB . 19989 1 82 . 1 1 14 14 ALA N N 15 125.366 0.117 . . . . . A 14 ALA N . 19989 1 83 . 1 1 15 15 ASN HA H 1 5.002 0.008 . . . . . A 15 ASN HA . 19989 1 84 . 1 1 15 15 ASN HB2 H 1 2.908 0.005 . . . . . A 15 ASN HB2 . 19989 1 85 . 1 1 15 15 ASN HB3 H 1 2.908 0.005 . . . . . A 15 ASN HB3 . 19989 1 86 . 1 1 15 15 ASN HD21 H 1 7.541 0 . . . . . A 15 ASN HD21 . 19989 1 87 . 1 1 15 15 ASN HD22 H 1 6.901 0 . . . . . A 15 ASN HD22 . 19989 1 88 . 1 1 15 15 ASN CA C 13 53.62 0.092 . . . . . A 15 ASN CA . 19989 1 89 . 1 1 15 15 ASN CB C 13 39.984 0.052 . . . . . A 15 ASN CB . 19989 1 90 . 1 1 15 15 ASN N N 15 120.002 0.097 . . . . . A 15 ASN N . 19989 1 91 . 1 1 15 15 ASN ND2 N 15 112.941 0.01 . . . . . A 15 ASN ND2 . 19989 1 92 . 1 1 16 16 ARG H H 1 7.702 0.003 . . . . . A 16 ARG H . 19989 1 93 . 1 1 16 16 ARG HA H 1 4.242 0.007 . . . . . A 16 ARG HA . 19989 1 94 . 1 1 16 16 ARG HB2 H 1 1.631 0.004 . . . . . A 16 ARG HB2 . 19989 1 95 . 1 1 16 16 ARG HB3 H 1 1.557 0.007 . . . . . A 16 ARG HB3 . 19989 1 96 . 1 1 16 16 ARG HG2 H 1 1.486 0.012 . . . . . A 16 ARG HG2 . 19989 1 97 . 1 1 16 16 ARG HG3 H 1 1.376 0.005 . . . . . A 16 ARG HG3 . 19989 1 98 . 1 1 16 16 ARG HD2 H 1 3.017 0.004 . . . . . A 16 ARG HD2 . 19989 1 99 . 1 1 16 16 ARG HD3 H 1 2.801 0.003 . . . . . A 16 ARG HD3 . 19989 1 100 . 1 1 16 16 ARG CA C 13 55.011 0.057 . . . . . A 16 ARG CA . 19989 1 101 . 1 1 16 16 ARG CB C 13 32.211 0.073 . . . . . A 16 ARG CB . 19989 1 102 . 1 1 16 16 ARG CG C 13 26.588 0.46 . . . . . A 16 ARG CG . 19989 1 103 . 1 1 16 16 ARG CD C 13 43.62 0 . . . . . A 16 ARG CD . 19989 1 104 . 1 1 16 16 ARG N N 15 120.137 0.028 . . . . . A 16 ARG N . 19989 1 105 . 1 1 17 17 LYS H H 1 7.395 0.002 . . . . . A 17 LYS H . 19989 1 106 . 1 1 17 17 LYS HA H 1 1.457 0.002 . . . . . A 17 LYS HA . 19989 1 107 . 1 1 17 17 LYS HB2 H 1 0.811 0.003 . . . . . A 17 LYS HB2 . 19989 1 108 . 1 1 17 17 LYS HB3 H 1 0.701 0.004 . . . . . A 17 LYS HB3 . 19989 1 109 . 1 1 17 17 LYS HG2 H 1 0.626 0.002 . . . . . A 17 LYS HG2 . 19989 1 110 . 1 1 17 17 LYS HG3 H 1 0.393 0.001 . . . . . A 17 LYS HG3 . 19989 1 111 . 1 1 17 17 LYS HD2 H 1 1.337 0.002 . . . . . A 17 LYS HD2 . 19989 1 112 . 1 1 17 17 LYS HD3 H 1 1.268 0.001 . . . . . A 17 LYS HD3 . 19989 1 113 . 1 1 17 17 LYS HE2 H 1 2.736 0.003 . . . . . A 17 LYS HE2 . 19989 1 114 . 1 1 17 17 LYS HE3 H 1 2.628 0.002 . . . . . A 17 LYS HE3 . 19989 1 115 . 1 1 17 17 LYS CA C 13 55.899 0.057 . . . . . A 17 LYS CA . 19989 1 116 . 1 1 17 17 LYS CB C 13 32.835 0.158 . . . . . A 17 LYS CB . 19989 1 117 . 1 1 17 17 LYS CG C 13 24.147 0.085 . . . . . A 17 LYS CG . 19989 1 118 . 1 1 17 17 LYS CD C 13 29.573 0.016 . . . . . A 17 LYS CD . 19989 1 119 . 1 1 17 17 LYS CE C 13 41.842 0.014 . . . . . A 17 LYS CE . 19989 1 120 . 1 1 17 17 LYS N N 15 119.879 0.171 . . . . . A 17 LYS N . 19989 1 121 . 1 1 18 18 ILE H H 1 5.286 0.006 . . . . . A 18 ILE H . 19989 1 122 . 1 1 18 18 ILE HA H 1 4.102 0.003 . . . . . A 18 ILE HA . 19989 1 123 . 1 1 18 18 ILE HB H 1 1.294 0.001 . . . . . A 18 ILE HB . 19989 1 124 . 1 1 18 18 ILE HG12 H 1 1.433 0.011 . . . . . A 18 ILE HG12 . 19989 1 125 . 1 1 18 18 ILE HG13 H 1 0.787 0.004 . . . . . A 18 ILE HG13 . 19989 1 126 . 1 1 18 18 ILE HG21 H 1 0.699 0.017 . . . . . A 18 ILE HG21 . 19989 1 127 . 1 1 18 18 ILE HG22 H 1 0.699 0.017 . . . . . A 18 ILE HG22 . 19989 1 128 . 1 1 18 18 ILE HG23 H 1 0.699 0.017 . . . . . A 18 ILE HG23 . 19989 1 129 . 1 1 18 18 ILE HD11 H 1 0.709 0.01 . . . . . A 18 ILE HD11 . 19989 1 130 . 1 1 18 18 ILE HD12 H 1 0.709 0.01 . . . . . A 18 ILE HD12 . 19989 1 131 . 1 1 18 18 ILE HD13 H 1 0.709 0.01 . . . . . A 18 ILE HD13 . 19989 1 132 . 1 1 18 18 ILE CA C 13 57.292 0.034 . . . . . A 18 ILE CA . 19989 1 133 . 1 1 18 18 ILE CB C 13 40.746 0.015 . . . . . A 18 ILE CB . 19989 1 134 . 1 1 18 18 ILE CG1 C 13 27.027 0.032 . . . . . A 18 ILE CG1 . 19989 1 135 . 1 1 18 18 ILE CG2 C 13 16.842 0.066 . . . . . A 18 ILE CG2 . 19989 1 136 . 1 1 18 18 ILE CD1 C 13 13.84 0.206 . . . . . A 18 ILE CD1 . 19989 1 137 . 1 1 18 18 ILE N N 15 124.806 0.148 . . . . . A 18 ILE N . 19989 1 138 . 1 1 19 19 PRO HA H 1 4.109 0.005 . . . . . A 19 PRO HA . 19989 1 139 . 1 1 19 19 PRO HB2 H 1 2.291 0.007 . . . . . A 19 PRO HB2 . 19989 1 140 . 1 1 19 19 PRO HB3 H 1 1.627 0.004 . . . . . A 19 PRO HB3 . 19989 1 141 . 1 1 19 19 PRO HG2 H 1 1.893 0.003 . . . . . A 19 PRO HG2 . 19989 1 142 . 1 1 19 19 PRO HG3 H 1 1.82 0.006 . . . . . A 19 PRO HG3 . 19989 1 143 . 1 1 19 19 PRO HD2 H 1 3.732 0.004 . . . . . A 19 PRO HD2 . 19989 1 144 . 1 1 19 19 PRO HD3 H 1 3.24 0.006 . . . . . A 19 PRO HD3 . 19989 1 145 . 1 1 19 19 PRO CA C 13 63.25 0.063 . . . . . A 19 PRO CA . 19989 1 146 . 1 1 19 19 PRO CB C 13 32.322 0.072 . . . . . A 19 PRO CB . 19989 1 147 . 1 1 19 19 PRO CG C 13 27.951 0.191 . . . . . A 19 PRO CG . 19989 1 148 . 1 1 19 19 PRO CD C 13 51.371 0.105 . . . . . A 19 PRO CD . 19989 1 149 . 1 1 19 19 PRO N N 15 139.109 0.038 . . . . . A 19 PRO N . 19989 1 150 . 1 1 20 20 LEU H H 1 8.015 0.001 . . . . . A 20 LEU H . 19989 1 151 . 1 1 20 20 LEU HA H 1 3.646 0.003 . . . . . A 20 LEU HA . 19989 1 152 . 1 1 20 20 LEU HB2 H 1 1.353 0.006 . . . . . A 20 LEU HB2 . 19989 1 153 . 1 1 20 20 LEU HB3 H 1 0.862 0.003 . . . . . A 20 LEU HB3 . 19989 1 154 . 1 1 20 20 LEU HG H 1 1.462 0.003 . . . . . A 20 LEU HG . 19989 1 155 . 1 1 20 20 LEU HD11 H 1 0.541 0.006 . . . . . A 20 LEU HD11 . 19989 1 156 . 1 1 20 20 LEU HD12 H 1 0.541 0.006 . . . . . A 20 LEU HD12 . 19989 1 157 . 1 1 20 20 LEU HD13 H 1 0.541 0.006 . . . . . A 20 LEU HD13 . 19989 1 158 . 1 1 20 20 LEU HD21 H 1 0.48 0.009 . . . . . A 20 LEU HD21 . 19989 1 159 . 1 1 20 20 LEU HD22 H 1 0.48 0.009 . . . . . A 20 LEU HD22 . 19989 1 160 . 1 1 20 20 LEU HD23 H 1 0.48 0.009 . . . . . A 20 LEU HD23 . 19989 1 161 . 1 1 20 20 LEU CA C 13 58.242 0.057 . . . . . A 20 LEU CA . 19989 1 162 . 1 1 20 20 LEU CB C 13 41.696 0.104 . . . . . A 20 LEU CB . 19989 1 163 . 1 1 20 20 LEU CG C 13 26.69 0 . . . . . A 20 LEU CG . 19989 1 164 . 1 1 20 20 LEU CD1 C 13 24.168 0.208 . . . . . A 20 LEU CD1 . 19989 1 165 . 1 1 20 20 LEU CD2 C 13 23.747 0.237 . . . . . A 20 LEU CD2 . 19989 1 166 . 1 1 20 20 LEU N N 15 124.304 0.065 . . . . . A 20 LEU N . 19989 1 167 . 1 1 21 21 GLN H H 1 8.594 0.001 . . . . . A 21 GLN H . 19989 1 168 . 1 1 21 21 GLN HA H 1 4.179 0.005 . . . . . A 21 GLN HA . 19989 1 169 . 1 1 21 21 GLN HB2 H 1 2.114 0.002 . . . . . A 21 GLN HB2 . 19989 1 170 . 1 1 21 21 GLN HB3 H 1 2.045 0.005 . . . . . A 21 GLN HB3 . 19989 1 171 . 1 1 21 21 GLN HG2 H 1 2.404 0.002 . . . . . A 21 GLN HG2 . 19989 1 172 . 1 1 21 21 GLN HG3 H 1 2.404 0.002 . . . . . A 21 GLN HG3 . 19989 1 173 . 1 1 21 21 GLN HE21 H 1 7.341 0 . . . . . A 21 GLN HE21 . 19989 1 174 . 1 1 21 21 GLN HE22 H 1 6.798 0.037 . . . . . A 21 GLN HE22 . 19989 1 175 . 1 1 21 21 GLN CA C 13 58.062 0.02 . . . . . A 21 GLN CA . 19989 1 176 . 1 1 21 21 GLN CB C 13 27.706 0.023 . . . . . A 21 GLN CB . 19989 1 177 . 1 1 21 21 GLN CG C 13 34.002 0.048 . . . . . A 21 GLN CG . 19989 1 178 . 1 1 21 21 GLN N N 15 113.324 0.085 . . . . . A 21 GLN N . 19989 1 179 . 1 1 21 21 GLN NE2 N 15 110.978 0.326 . . . . . A 21 GLN NE2 . 19989 1 180 . 1 1 22 22 ARG H H 1 7.843 0.002 . . . . . A 22 ARG H . 19989 1 181 . 1 1 22 22 ARG HA H 1 4.34 0.006 . . . . . A 22 ARG HA . 19989 1 182 . 1 1 22 22 ARG HB2 H 1 2.192 0.009 . . . . . A 22 ARG HB2 . 19989 1 183 . 1 1 22 22 ARG HB3 H 1 1.715 0.004 . . . . . A 22 ARG HB3 . 19989 1 184 . 1 1 22 22 ARG HG2 H 1 1.589 0.003 . . . . . A 22 ARG HG2 . 19989 1 185 . 1 1 22 22 ARG HG3 H 1 1.589 0.003 . . . . . A 22 ARG HG3 . 19989 1 186 . 1 1 22 22 ARG HD2 H 1 3.154 0.005 . . . . . A 22 ARG HD2 . 19989 1 187 . 1 1 22 22 ARG HD3 H 1 3.025 0.004 . . . . . A 22 ARG HD3 . 19989 1 188 . 1 1 22 22 ARG CA C 13 55.518 0.105 . . . . . A 22 ARG CA . 19989 1 189 . 1 1 22 22 ARG CB C 13 30.378 0.043 . . . . . A 22 ARG CB . 19989 1 190 . 1 1 22 22 ARG CG C 13 27.323 0.069 . . . . . A 22 ARG CG . 19989 1 191 . 1 1 22 22 ARG CD C 13 42.987 0.103 . . . . . A 22 ARG CD . 19989 1 192 . 1 1 22 22 ARG N N 15 115.277 0.048 . . . . . A 22 ARG N . 19989 1 193 . 1 1 23 23 LEU H H 1 7.645 0.002 . . . . . A 23 LEU H . 19989 1 194 . 1 1 23 23 LEU HA H 1 4.353 0.004 . . . . . A 23 LEU HA . 19989 1 195 . 1 1 23 23 LEU HB2 H 1 2.237 0.004 . . . . . A 23 LEU HB2 . 19989 1 196 . 1 1 23 23 LEU HB3 H 1 1.346 0.003 . . . . . A 23 LEU HB3 . 19989 1 197 . 1 1 23 23 LEU HG H 1 1.71 0.005 . . . . . A 23 LEU HG . 19989 1 198 . 1 1 23 23 LEU HD11 H 1 0.628 0.002 . . . . . A 23 LEU HD11 . 19989 1 199 . 1 1 23 23 LEU HD12 H 1 0.628 0.002 . . . . . A 23 LEU HD12 . 19989 1 200 . 1 1 23 23 LEU HD13 H 1 0.628 0.002 . . . . . A 23 LEU HD13 . 19989 1 201 . 1 1 23 23 LEU HD21 H 1 0.516 0.002 . . . . . A 23 LEU HD21 . 19989 1 202 . 1 1 23 23 LEU HD22 H 1 0.516 0.002 . . . . . A 23 LEU HD22 . 19989 1 203 . 1 1 23 23 LEU HD23 H 1 0.516 0.002 . . . . . A 23 LEU HD23 . 19989 1 204 . 1 1 23 23 LEU CA C 13 55.567 0.073 . . . . . A 23 LEU CA . 19989 1 205 . 1 1 23 23 LEU CB C 13 44.537 0.039 . . . . . A 23 LEU CB . 19989 1 206 . 1 1 23 23 LEU CG C 13 25.707 0.006 . . . . . A 23 LEU CG . 19989 1 207 . 1 1 23 23 LEU CD1 C 13 23.65 0 . . . . . A 23 LEU CD1 . 19989 1 208 . 1 1 23 23 LEU CD2 C 13 25.817 0.004 . . . . . A 23 LEU CD2 . 19989 1 209 . 1 1 23 23 LEU N N 15 119.2 0.016 . . . . . A 23 LEU N . 19989 1 210 . 1 1 24 24 GLU H H 1 9.173 0.006 . . . . . A 24 GLU H . 19989 1 211 . 1 1 24 24 GLU HA H 1 4.657 0.004 . . . . . A 24 GLU HA . 19989 1 212 . 1 1 24 24 GLU HB2 H 1 1.898 0.006 . . . . . A 24 GLU HB2 . 19989 1 213 . 1 1 24 24 GLU HB3 H 1 1.668 0.002 . . . . . A 24 GLU HB3 . 19989 1 214 . 1 1 24 24 GLU HG2 H 1 2.149 0.002 . . . . . A 24 GLU HG2 . 19989 1 215 . 1 1 24 24 GLU HG3 H 1 2.149 0.002 . . . . . A 24 GLU HG3 . 19989 1 216 . 1 1 24 24 GLU CA C 13 57.712 0.151 . . . . . A 24 GLU CA . 19989 1 217 . 1 1 24 24 GLU CB C 13 33.147 0.08 . . . . . A 24 GLU CB . 19989 1 218 . 1 1 24 24 GLU CG C 13 36.47 0 . . . . . A 24 GLU CG . 19989 1 219 . 1 1 24 24 GLU N N 15 120.73 0.075 . . . . . A 24 GLU N . 19989 1 220 . 1 1 25 25 SER H H 1 8.156 0.004 . . . . . A 25 SER H . 19989 1 221 . 1 1 25 25 SER HA H 1 4.773 0.003 . . . . . A 25 SER HA . 19989 1 222 . 1 1 25 25 SER HB2 H 1 3.966 0.001 . . . . . A 25 SER HB2 . 19989 1 223 . 1 1 25 25 SER HB3 H 1 4.071 0.002 . . . . . A 25 SER HB3 . 19989 1 224 . 1 1 25 25 SER CA C 13 58.339 0.044 . . . . . A 25 SER CA . 19989 1 225 . 1 1 25 25 SER CB C 13 64.465 0.066 . . . . . A 25 SER CB . 19989 1 226 . 1 1 25 25 SER N N 15 109.289 0.067 . . . . . A 25 SER N . 19989 1 227 . 1 1 26 26 TYR H H 1 8.574 0.003 . . . . . A 26 TYR H . 19989 1 228 . 1 1 26 26 TYR HA H 1 5.746 0.002 . . . . . A 26 TYR HA . 19989 1 229 . 1 1 26 26 TYR HB2 H 1 2.319 0.002 . . . . . A 26 TYR HB2 . 19989 1 230 . 1 1 26 26 TYR HB3 H 1 2.841 0.001 . . . . . A 26 TYR HB3 . 19989 1 231 . 1 1 26 26 TYR HD1 H 1 6.731 0.011 . . . . . A 26 TYR HD1 . 19989 1 232 . 1 1 26 26 TYR HD2 H 1 6.731 0.011 . . . . . A 26 TYR HD2 . 19989 1 233 . 1 1 26 26 TYR HE1 H 1 6.819 0 . . . . . A 26 TYR HE1 . 19989 1 234 . 1 1 26 26 TYR HE2 H 1 6.819 0 . . . . . A 26 TYR HE2 . 19989 1 235 . 1 1 26 26 TYR CA C 13 56.771 0.082 . . . . . A 26 TYR CA . 19989 1 236 . 1 1 26 26 TYR CB C 13 42.593 0.117 . . . . . A 26 TYR CB . 19989 1 237 . 1 1 26 26 TYR N N 15 115.677 0.056 . . . . . A 26 TYR N . 19989 1 238 . 1 1 27 27 ARG H H 1 8.666 0.002 . . . . . A 27 ARG H . 19989 1 239 . 1 1 27 27 ARG HA H 1 4.521 0.011 . . . . . A 27 ARG HA . 19989 1 240 . 1 1 27 27 ARG HB2 H 1 1.732 0.005 . . . . . A 27 ARG HB2 . 19989 1 241 . 1 1 27 27 ARG HB3 H 1 1.732 0.005 . . . . . A 27 ARG HB3 . 19989 1 242 . 1 1 27 27 ARG HG2 H 1 1.645 0.004 . . . . . A 27 ARG HG2 . 19989 1 243 . 1 1 27 27 ARG HG3 H 1 1.422 0.006 . . . . . A 27 ARG HG3 . 19989 1 244 . 1 1 27 27 ARG HD2 H 1 3.111 0.003 . . . . . A 27 ARG HD2 . 19989 1 245 . 1 1 27 27 ARG HD3 H 1 3.111 0.003 . . . . . A 27 ARG HD3 . 19989 1 246 . 1 1 27 27 ARG CA C 13 54.427 0.087 . . . . . A 27 ARG CA . 19989 1 247 . 1 1 27 27 ARG CB C 13 33.458 0.051 . . . . . A 27 ARG CB . 19989 1 248 . 1 1 27 27 ARG CG C 13 26.54 0 . . . . . A 27 ARG CG . 19989 1 249 . 1 1 27 27 ARG CD C 13 43.77 0 . . . . . A 27 ARG CD . 19989 1 250 . 1 1 27 27 ARG N N 15 117.676 0.053 . . . . . A 27 ARG N . 19989 1 251 . 1 1 28 28 ARG H H 1 8.845 0.003 . . . . . A 28 ARG H . 19989 1 252 . 1 1 28 28 ARG HA H 1 4.718 0.006 . . . . . A 28 ARG HA . 19989 1 253 . 1 1 28 28 ARG HB2 H 1 1.828 0.005 . . . . . A 28 ARG HB2 . 19989 1 254 . 1 1 28 28 ARG HB3 H 1 1.708 0.003 . . . . . A 28 ARG HB3 . 19989 1 255 . 1 1 28 28 ARG HG2 H 1 1.79 0.006 . . . . . A 28 ARG HG2 . 19989 1 256 . 1 1 28 28 ARG HG3 H 1 1.543 0.002 . . . . . A 28 ARG HG3 . 19989 1 257 . 1 1 28 28 ARG HD2 H 1 3.207 0.004 . . . . . A 28 ARG HD2 . 19989 1 258 . 1 1 28 28 ARG HD3 H 1 3.207 0.004 . . . . . A 28 ARG HD3 . 19989 1 259 . 1 1 28 28 ARG CA C 13 56.041 0.1 . . . . . A 28 ARG CA . 19989 1 260 . 1 1 28 28 ARG CB C 13 31.867 0.034 . . . . . A 28 ARG CB . 19989 1 261 . 1 1 28 28 ARG CG C 13 28.67 0 . . . . . A 28 ARG CG . 19989 1 262 . 1 1 28 28 ARG CD C 13 43.65 0 . . . . . A 28 ARG CD . 19989 1 263 . 1 1 28 28 ARG N N 15 121.136 0.092 . . . . . A 28 ARG N . 19989 1 264 . 1 1 29 29 ILE H H 1 8.345 0.003 . . . . . A 29 ILE H . 19989 1 265 . 1 1 29 29 ILE HA H 1 4.351 0.003 . . . . . A 29 ILE HA . 19989 1 266 . 1 1 29 29 ILE HB H 1 1.936 0.003 . . . . . A 29 ILE HB . 19989 1 267 . 1 1 29 29 ILE HG12 H 1 1.424 0.002 . . . . . A 29 ILE HG12 . 19989 1 268 . 1 1 29 29 ILE HG13 H 1 1.212 0.005 . . . . . A 29 ILE HG13 . 19989 1 269 . 1 1 29 29 ILE HG21 H 1 1.024 0.005 . . . . . A 29 ILE HG21 . 19989 1 270 . 1 1 29 29 ILE HG22 H 1 1.024 0.005 . . . . . A 29 ILE HG22 . 19989 1 271 . 1 1 29 29 ILE HG23 H 1 1.024 0.005 . . . . . A 29 ILE HG23 . 19989 1 272 . 1 1 29 29 ILE HD11 H 1 0.859 0.001 . . . . . A 29 ILE HD11 . 19989 1 273 . 1 1 29 29 ILE HD12 H 1 0.859 0.001 . . . . . A 29 ILE HD12 . 19989 1 274 . 1 1 29 29 ILE HD13 H 1 0.859 0.001 . . . . . A 29 ILE HD13 . 19989 1 275 . 1 1 29 29 ILE CA C 13 60.628 0.035 . . . . . A 29 ILE CA . 19989 1 276 . 1 1 29 29 ILE CB C 13 38.377 0.085 . . . . . A 29 ILE CB . 19989 1 277 . 1 1 29 29 ILE CG1 C 13 27.401 0.007 . . . . . A 29 ILE CG1 . 19989 1 278 . 1 1 29 29 ILE CG2 C 13 18.306 0.002 . . . . . A 29 ILE CG2 . 19989 1 279 . 1 1 29 29 ILE CD1 C 13 13.096 0.013 . . . . . A 29 ILE CD1 . 19989 1 280 . 1 1 29 29 ILE N N 15 122.817 0.111 . . . . . A 29 ILE N . 19989 1 281 . 1 1 30 30 THR HA H 1 4.471 0.005 . . . . . A 30 THR HA . 19989 1 282 . 1 1 30 30 THR HB H 1 4.345 0.004 . . . . . A 30 THR HB . 19989 1 283 . 1 1 30 30 THR HG21 H 1 1.118 0.003 . . . . . A 30 THR HG21 . 19989 1 284 . 1 1 30 30 THR HG22 H 1 1.118 0.003 . . . . . A 30 THR HG22 . 19989 1 285 . 1 1 30 30 THR HG23 H 1 1.118 0.003 . . . . . A 30 THR HG23 . 19989 1 286 . 1 1 30 30 THR CA C 13 61.32 0.231 . . . . . A 30 THR CA . 19989 1 287 . 1 1 30 30 THR CB C 13 70.259 0.166 . . . . . A 30 THR CB . 19989 1 288 . 1 1 30 30 THR CG2 C 13 21.551 0.11 . . . . . A 30 THR CG2 . 19989 1 289 . 1 1 30 30 THR N N 15 117.029 0.024 . . . . . A 30 THR N . 19989 1 290 . 1 1 31 31 SER HA H 1 4.481 0.007 . . . . . A 31 SER HA . 19989 1 291 . 1 1 31 31 SER CA C 13 58.398 0.086 . . . . . A 31 SER CA . 19989 1 292 . 1 1 31 31 SER CB C 13 63.974 0 . . . . . A 31 SER CB . 19989 1 293 . 1 1 31 31 SER N N 15 116.826 0.01 . . . . . A 31 SER N . 19989 1 294 . 1 1 32 32 GLY HA2 H 1 3.98 0.003 . . . . . A 32 GLY HA2 . 19989 1 295 . 1 1 32 32 GLY HA3 H 1 3.98 0.003 . . . . . A 32 GLY HA3 . 19989 1 296 . 1 1 32 32 GLY CA C 13 45.477 0.042 . . . . . A 32 GLY CA . 19989 1 297 . 1 1 32 32 GLY N N 15 110.589 0.033 . . . . . A 32 GLY N . 19989 1 298 . 1 1 33 33 LYS N N 15 119.924 0.021 . . . . . A 33 LYS N . 19989 1 299 . 1 1 34 34 CYS H H 1 7.494 0 . . . . . A 34 CYS H . 19989 1 300 . 1 1 34 34 CYS HA H 1 5.158 0.003 . . . . . A 34 CYS HA . 19989 1 301 . 1 1 34 34 CYS HB2 H 1 3.427 0.005 . . . . . A 34 CYS HB2 . 19989 1 302 . 1 1 34 34 CYS HB3 H 1 2.628 0.005 . . . . . A 34 CYS HB3 . 19989 1 303 . 1 1 34 34 CYS CA C 13 51.057 0.107 . . . . . A 34 CYS CA . 19989 1 304 . 1 1 34 34 CYS CB C 13 37.22 0.124 . . . . . A 34 CYS CB . 19989 1 305 . 1 1 34 34 CYS N N 15 116.935 0.015 . . . . . A 34 CYS N . 19989 1 306 . 1 1 35 35 PRO HA H 1 4.36 0.004 . . . . . A 35 PRO HA . 19989 1 307 . 1 1 35 35 PRO HB2 H 1 2.361 0.004 . . . . . A 35 PRO HB2 . 19989 1 308 . 1 1 35 35 PRO HB3 H 1 2.361 0.004 . . . . . A 35 PRO HB3 . 19989 1 309 . 1 1 35 35 PRO HG2 H 1 2.074 0.042 . . . . . A 35 PRO HG2 . 19989 1 310 . 1 1 35 35 PRO HG3 H 1 2.008 0.01 . . . . . A 35 PRO HG3 . 19989 1 311 . 1 1 35 35 PRO HD2 H 1 3.566 0.003 . . . . . A 35 PRO HD2 . 19989 1 312 . 1 1 35 35 PRO HD3 H 1 3.566 0.003 . . . . . A 35 PRO HD3 . 19989 1 313 . 1 1 35 35 PRO CA C 13 64.795 0.08 . . . . . A 35 PRO CA . 19989 1 314 . 1 1 35 35 PRO CB C 13 31.994 0.009 . . . . . A 35 PRO CB . 19989 1 315 . 1 1 35 35 PRO CG C 13 27.147 0 . . . . . A 35 PRO CG . 19989 1 316 . 1 1 35 35 PRO CD C 13 50.35 0 . . . . . A 35 PRO CD . 19989 1 317 . 1 1 35 35 PRO N N 15 134.735 0.002 . . . . . A 35 PRO N . 19989 1 318 . 1 1 36 36 GLN H H 1 7.123 0.003 . . . . . A 36 GLN H . 19989 1 319 . 1 1 36 36 GLN HA H 1 4.574 0.004 . . . . . A 36 GLN HA . 19989 1 320 . 1 1 36 36 GLN HB2 H 1 2.039 0.006 . . . . . A 36 GLN HB2 . 19989 1 321 . 1 1 36 36 GLN HB3 H 1 1.913 0.001 . . . . . A 36 GLN HB3 . 19989 1 322 . 1 1 36 36 GLN HG2 H 1 2.155 0.001 . . . . . A 36 GLN HG2 . 19989 1 323 . 1 1 36 36 GLN HG3 H 1 2.155 0.001 . . . . . A 36 GLN HG3 . 19989 1 324 . 1 1 36 36 GLN HE21 H 1 7.254 0 . . . . . A 36 GLN HE21 . 19989 1 325 . 1 1 36 36 GLN HE22 H 1 6.61 0.01 . . . . . A 36 GLN HE22 . 19989 1 326 . 1 1 36 36 GLN CA C 13 54.242 0.043 . . . . . A 36 GLN CA . 19989 1 327 . 1 1 36 36 GLN CB C 13 30.94 0.121 . . . . . A 36 GLN CB . 19989 1 328 . 1 1 36 36 GLN CG C 13 33.12 0.054 . . . . . A 36 GLN CG . 19989 1 329 . 1 1 36 36 GLN N N 15 112.417 0.088 . . . . . A 36 GLN N . 19989 1 330 . 1 1 36 36 GLN NE2 N 15 110.238 0.027 . . . . . A 36 GLN NE2 . 19989 1 331 . 1 1 37 37 LYS HA H 1 4.25 0.007 . . . . . A 37 LYS HA . 19989 1 332 . 1 1 37 37 LYS HB2 H 1 1.807 0.008 . . . . . A 37 LYS HB2 . 19989 1 333 . 1 1 37 37 LYS HB3 H 1 1.807 0.008 . . . . . A 37 LYS HB3 . 19989 1 334 . 1 1 37 37 LYS HG2 H 1 1.421 0.001 . . . . . A 37 LYS HG2 . 19989 1 335 . 1 1 37 37 LYS HG3 H 1 1.417 0 . . . . . A 37 LYS HG3 . 19989 1 336 . 1 1 37 37 LYS HD2 H 1 1.653 0 . . . . . A 37 LYS HD2 . 19989 1 337 . 1 1 37 37 LYS HD3 H 1 1.653 0 . . . . . A 37 LYS HD3 . 19989 1 338 . 1 1 37 37 LYS HE2 H 1 2.966 0.004 . . . . . A 37 LYS HE2 . 19989 1 339 . 1 1 37 37 LYS HE3 H 1 2.966 0.004 . . . . . A 37 LYS HE3 . 19989 1 340 . 1 1 37 37 LYS CA C 13 56.388 0.077 . . . . . A 37 LYS CA . 19989 1 341 . 1 1 37 37 LYS CB C 13 31.857 0.077 . . . . . A 37 LYS CB . 19989 1 342 . 1 1 37 37 LYS CG C 13 25.52 0 . . . . . A 37 LYS CG . 19989 1 343 . 1 1 37 37 LYS CD C 13 29.22 0 . . . . . A 37 LYS CD . 19989 1 344 . 1 1 37 37 LYS CE C 13 42.38 0 . . . . . A 37 LYS CE . 19989 1 345 . 1 1 37 37 LYS N N 15 124.167 0.02 . . . . . A 37 LYS N . 19989 1 346 . 1 1 38 38 ALA H H 1 7.707 0.001 . . . . . A 38 ALA H . 19989 1 347 . 1 1 38 38 ALA HA H 1 4.729 0.002 . . . . . A 38 ALA HA . 19989 1 348 . 1 1 38 38 ALA HB1 H 1 1.343 0.003 . . . . . A 38 ALA HB1 . 19989 1 349 . 1 1 38 38 ALA HB2 H 1 1.343 0.003 . . . . . A 38 ALA HB2 . 19989 1 350 . 1 1 38 38 ALA HB3 H 1 1.343 0.003 . . . . . A 38 ALA HB3 . 19989 1 351 . 1 1 38 38 ALA CA C 13 51.5 0.084 . . . . . A 38 ALA CA . 19989 1 352 . 1 1 38 38 ALA CB C 13 23.16 0.087 . . . . . A 38 ALA CB . 19989 1 353 . 1 1 38 38 ALA N N 15 121.687 0.077 . . . . . A 38 ALA N . 19989 1 354 . 1 1 39 39 VAL H H 1 8.402 0.003 . . . . . A 39 VAL H . 19989 1 355 . 1 1 39 39 VAL HA H 1 4.49 0.008 . . . . . A 39 VAL HA . 19989 1 356 . 1 1 39 39 VAL HB H 1 1.409 0.002 . . . . . A 39 VAL HB . 19989 1 357 . 1 1 39 39 VAL HG11 H 1 0.512 0.003 . . . . . A 39 VAL HG11 . 19989 1 358 . 1 1 39 39 VAL HG12 H 1 0.512 0.003 . . . . . A 39 VAL HG12 . 19989 1 359 . 1 1 39 39 VAL HG13 H 1 0.512 0.003 . . . . . A 39 VAL HG13 . 19989 1 360 . 1 1 39 39 VAL HG21 H 1 0.235 0.002 . . . . . A 39 VAL HG21 . 19989 1 361 . 1 1 39 39 VAL HG22 H 1 0.235 0.002 . . . . . A 39 VAL HG22 . 19989 1 362 . 1 1 39 39 VAL HG23 H 1 0.235 0.002 . . . . . A 39 VAL HG23 . 19989 1 363 . 1 1 39 39 VAL CA C 13 61.027 0.106 . . . . . A 39 VAL CA . 19989 1 364 . 1 1 39 39 VAL CB C 13 35.01 0.146 . . . . . A 39 VAL CB . 19989 1 365 . 1 1 39 39 VAL CG2 C 13 21.446 0.09 . . . . . A 39 VAL CG2 . 19989 1 366 . 1 1 39 39 VAL N N 15 118.743 0.038 . . . . . A 39 VAL N . 19989 1 367 . 1 1 40 40 ILE H H 1 8.778 0.001 . . . . . A 40 ILE H . 19989 1 368 . 1 1 40 40 ILE HA H 1 4.821 0.005 . . . . . A 40 ILE HA . 19989 1 369 . 1 1 40 40 ILE HB H 1 1.556 0.003 . . . . . A 40 ILE HB . 19989 1 370 . 1 1 40 40 ILE HG12 H 1 1.448 0.008 . . . . . A 40 ILE HG12 . 19989 1 371 . 1 1 40 40 ILE HG13 H 1 0.935 0.004 . . . . . A 40 ILE HG13 . 19989 1 372 . 1 1 40 40 ILE HG21 H 1 0.754 0.007 . . . . . A 40 ILE HG21 . 19989 1 373 . 1 1 40 40 ILE HG22 H 1 0.754 0.007 . . . . . A 40 ILE HG22 . 19989 1 374 . 1 1 40 40 ILE HG23 H 1 0.754 0.007 . . . . . A 40 ILE HG23 . 19989 1 375 . 1 1 40 40 ILE HD11 H 1 0.714 0.006 . . . . . A 40 ILE HD11 . 19989 1 376 . 1 1 40 40 ILE HD12 H 1 0.714 0.006 . . . . . A 40 ILE HD12 . 19989 1 377 . 1 1 40 40 ILE HD13 H 1 0.714 0.006 . . . . . A 40 ILE HD13 . 19989 1 378 . 1 1 40 40 ILE CA C 13 59.913 0.02 . . . . . A 40 ILE CA . 19989 1 379 . 1 1 40 40 ILE CB C 13 40.08 0.05 . . . . . A 40 ILE CB . 19989 1 380 . 1 1 40 40 ILE CG1 C 13 28.026 0.045 . . . . . A 40 ILE CG1 . 19989 1 381 . 1 1 40 40 ILE CG2 C 13 18.302 0.01 . . . . . A 40 ILE CG2 . 19989 1 382 . 1 1 40 40 ILE CD1 C 13 14.115 0.032 . . . . . A 40 ILE CD1 . 19989 1 383 . 1 1 40 40 ILE N N 15 123.186 0.059 . . . . . A 40 ILE N . 19989 1 384 . 1 1 41 41 PHE H H 1 9.441 0.003 . . . . . A 41 PHE H . 19989 1 385 . 1 1 41 41 PHE HA H 1 5.229 0.005 . . . . . A 41 PHE HA . 19989 1 386 . 1 1 41 41 PHE HB2 H 1 3.022 0.003 . . . . . A 41 PHE HB2 . 19989 1 387 . 1 1 41 41 PHE HB3 H 1 2.88 0.003 . . . . . A 41 PHE HB3 . 19989 1 388 . 1 1 41 41 PHE HD1 H 1 7.215 0.017 . . . . . A 41 PHE HD1 . 19989 1 389 . 1 1 41 41 PHE HD2 H 1 7.215 0.017 . . . . . A 41 PHE HD2 . 19989 1 390 . 1 1 41 41 PHE HE1 H 1 6.779 0.008 . . . . . A 41 PHE HE1 . 19989 1 391 . 1 1 41 41 PHE HE2 H 1 6.779 0.008 . . . . . A 41 PHE HE2 . 19989 1 392 . 1 1 41 41 PHE CA C 13 58.06 0.074 . . . . . A 41 PHE CA . 19989 1 393 . 1 1 41 41 PHE CB C 13 41.769 0.109 . . . . . A 41 PHE CB . 19989 1 394 . 1 1 41 41 PHE N N 15 126.82 0.044 . . . . . A 41 PHE N . 19989 1 395 . 1 1 42 42 LYS H H 1 8.881 0.003 . . . . . A 42 LYS H . 19989 1 396 . 1 1 42 42 LYS HA H 1 5.492 0.002 . . . . . A 42 LYS HA . 19989 1 397 . 1 1 42 42 LYS HB2 H 1 1.716 0.003 . . . . . A 42 LYS HB2 . 19989 1 398 . 1 1 42 42 LYS HB3 H 1 1.95 0.001 . . . . . A 42 LYS HB3 . 19989 1 399 . 1 1 42 42 LYS HG2 H 1 1.542 0.003 . . . . . A 42 LYS HG2 . 19989 1 400 . 1 1 42 42 LYS HG3 H 1 1.447 0.001 . . . . . A 42 LYS HG3 . 19989 1 401 . 1 1 42 42 LYS HD2 H 1 1.613 0.005 . . . . . A 42 LYS HD2 . 19989 1 402 . 1 1 42 42 LYS HD3 H 1 1.613 0.005 . . . . . A 42 LYS HD3 . 19989 1 403 . 1 1 42 42 LYS HE2 H 1 2.917 0.002 . . . . . A 42 LYS HE2 . 19989 1 404 . 1 1 42 42 LYS HE3 H 1 2.917 0.002 . . . . . A 42 LYS HE3 . 19989 1 405 . 1 1 42 42 LYS CA C 13 54.754 0.043 . . . . . A 42 LYS CA . 19989 1 406 . 1 1 42 42 LYS CB C 13 33.722 0.063 . . . . . A 42 LYS CB . 19989 1 407 . 1 1 42 42 LYS CG C 13 24.35 0 . . . . . A 42 LYS CG . 19989 1 408 . 1 1 42 42 LYS CD C 13 28.87 0 . . . . . A 42 LYS CD . 19989 1 409 . 1 1 42 42 LYS CE C 13 41.82 0 . . . . . A 42 LYS CE . 19989 1 410 . 1 1 42 42 LYS N N 15 123.088 0.035 . . . . . A 42 LYS N . 19989 1 411 . 1 1 43 43 THR H H 1 9.149 0.002 . . . . . A 43 THR H . 19989 1 412 . 1 1 43 43 THR HA H 1 5.326 0.003 . . . . . A 43 THR HA . 19989 1 413 . 1 1 43 43 THR HB H 1 4.934 0.003 . . . . . A 43 THR HB . 19989 1 414 . 1 1 43 43 THR HG21 H 1 1.28 0.009 . . . . . A 43 THR HG21 . 19989 1 415 . 1 1 43 43 THR HG22 H 1 1.28 0.009 . . . . . A 43 THR HG22 . 19989 1 416 . 1 1 43 43 THR HG23 H 1 1.28 0.009 . . . . . A 43 THR HG23 . 19989 1 417 . 1 1 43 43 THR CA C 13 60.39 0.05 . . . . . A 43 THR CA . 19989 1 418 . 1 1 43 43 THR CB C 13 72.412 0.145 . . . . . A 43 THR CB . 19989 1 419 . 1 1 43 43 THR CG2 C 13 21.62 0.117 . . . . . A 43 THR CG2 . 19989 1 420 . 1 1 43 43 THR N N 15 116.776 0.054 . . . . . A 43 THR N . 19989 1 421 . 1 1 44 44 LYS H H 1 8.729 0.001 . . . . . A 44 LYS H . 19989 1 422 . 1 1 44 44 LYS HA H 1 5.229 0 . . . . . A 44 LYS HA . 19989 1 423 . 1 1 44 44 LYS HB2 H 1 2.038 0 . . . . . A 44 LYS HB2 . 19989 1 424 . 1 1 44 44 LYS HB3 H 1 1.714 0 . . . . . A 44 LYS HB3 . 19989 1 425 . 1 1 44 44 LYS HE2 H 1 3.024 0.001 . . . . . A 44 LYS HE2 . 19989 1 426 . 1 1 44 44 LYS HE3 H 1 2.87 0.001 . . . . . A 44 LYS HE3 . 19989 1 427 . 1 1 44 44 LYS CA C 13 58.519 0.002 . . . . . A 44 LYS CA . 19989 1 428 . 1 1 44 44 LYS CB C 13 32.745 0 . . . . . A 44 LYS CB . 19989 1 429 . 1 1 44 44 LYS CE C 13 41.603 0 . . . . . A 44 LYS CE . 19989 1 430 . 1 1 44 44 LYS N N 15 119.85 0.038 . . . . . A 44 LYS N . 19989 1 431 . 1 1 45 45 LEU H H 1 7.741 0 . . . . . A 45 LEU H . 19989 1 432 . 1 1 45 45 LEU HA H 1 4.511 0.003 . . . . . A 45 LEU HA . 19989 1 433 . 1 1 45 45 LEU HB2 H 1 1.82 0.002 . . . . . A 45 LEU HB2 . 19989 1 434 . 1 1 45 45 LEU HB3 H 1 1.629 0.006 . . . . . A 45 LEU HB3 . 19989 1 435 . 1 1 45 45 LEU HG H 1 1.621 0.006 . . . . . A 45 LEU HG . 19989 1 436 . 1 1 45 45 LEU HD11 H 1 0.942 0.004 . . . . . A 45 LEU HD11 . 19989 1 437 . 1 1 45 45 LEU HD12 H 1 0.942 0.004 . . . . . A 45 LEU HD12 . 19989 1 438 . 1 1 45 45 LEU HD13 H 1 0.942 0.004 . . . . . A 45 LEU HD13 . 19989 1 439 . 1 1 45 45 LEU HD21 H 1 0.871 0.003 . . . . . A 45 LEU HD21 . 19989 1 440 . 1 1 45 45 LEU HD22 H 1 0.871 0.003 . . . . . A 45 LEU HD22 . 19989 1 441 . 1 1 45 45 LEU HD23 H 1 0.871 0.003 . . . . . A 45 LEU HD23 . 19989 1 442 . 1 1 45 45 LEU CA C 13 54.645 0.064 . . . . . A 45 LEU CA . 19989 1 443 . 1 1 45 45 LEU CB C 13 40.727 0.032 . . . . . A 45 LEU CB . 19989 1 444 . 1 1 45 45 LEU CG C 13 27.75 0.014 . . . . . A 45 LEU CG . 19989 1 445 . 1 1 45 45 LEU CD1 C 13 25.063 0.154 . . . . . A 45 LEU CD1 . 19989 1 446 . 1 1 45 45 LEU CD2 C 13 23.266 0 . . . . . A 45 LEU CD2 . 19989 1 447 . 1 1 45 45 LEU N N 15 117.279 0 . . . . . A 45 LEU N . 19989 1 448 . 1 1 46 46 ALA H H 1 8.064 0.006 . . . . . A 46 ALA H . 19989 1 449 . 1 1 46 46 ALA HA H 1 3.896 0.003 . . . . . A 46 ALA HA . 19989 1 450 . 1 1 46 46 ALA HB1 H 1 1.474 0.003 . . . . . A 46 ALA HB1 . 19989 1 451 . 1 1 46 46 ALA HB2 H 1 1.474 0.003 . . . . . A 46 ALA HB2 . 19989 1 452 . 1 1 46 46 ALA HB3 H 1 1.474 0.003 . . . . . A 46 ALA HB3 . 19989 1 453 . 1 1 46 46 ALA CA C 13 53.25 0.073 . . . . . A 46 ALA CA . 19989 1 454 . 1 1 46 46 ALA CB C 13 16.362 0.118 . . . . . A 46 ALA CB . 19989 1 455 . 1 1 46 46 ALA N N 15 118.639 0.128 . . . . . A 46 ALA N . 19989 1 456 . 1 1 47 47 LYS H H 1 7.228 0.005 . . . . . A 47 LYS H . 19989 1 457 . 1 1 47 47 LYS HA H 1 4.556 0.004 . . . . . A 47 LYS HA . 19989 1 458 . 1 1 47 47 LYS HB2 H 1 1.727 0.005 . . . . . A 47 LYS HB2 . 19989 1 459 . 1 1 47 47 LYS HB3 H 1 1.727 0.005 . . . . . A 47 LYS HB3 . 19989 1 460 . 1 1 47 47 LYS HG2 H 1 1.321 0.002 . . . . . A 47 LYS HG2 . 19989 1 461 . 1 1 47 47 LYS HG3 H 1 1.321 0.002 . . . . . A 47 LYS HG3 . 19989 1 462 . 1 1 47 47 LYS HD2 H 1 1.63 0.015 . . . . . A 47 LYS HD2 . 19989 1 463 . 1 1 47 47 LYS HD3 H 1 1.63 0.015 . . . . . A 47 LYS HD3 . 19989 1 464 . 1 1 47 47 LYS HE2 H 1 2.95 0.009 . . . . . A 47 LYS HE2 . 19989 1 465 . 1 1 47 47 LYS HE3 H 1 2.95 0.009 . . . . . A 47 LYS HE3 . 19989 1 466 . 1 1 47 47 LYS CA C 13 55.063 0.027 . . . . . A 47 LYS CA . 19989 1 467 . 1 1 47 47 LYS CB C 13 33.836 0.06 . . . . . A 47 LYS CB . 19989 1 468 . 1 1 47 47 LYS CG C 13 24.93 0 . . . . . A 47 LYS CG . 19989 1 469 . 1 1 47 47 LYS CD C 13 28.799 0.155 . . . . . A 47 LYS CD . 19989 1 470 . 1 1 47 47 LYS CE C 13 42.37 0 . . . . . A 47 LYS CE . 19989 1 471 . 1 1 47 47 LYS N N 15 117.5 0.12 . . . . . A 47 LYS N . 19989 1 472 . 1 1 48 48 ASP H H 1 8.257 0.001 . . . . . A 48 ASP H . 19989 1 473 . 1 1 48 48 ASP HA H 1 5.685 0.002 . . . . . A 48 ASP HA . 19989 1 474 . 1 1 48 48 ASP HB2 H 1 2.361 0.001 . . . . . A 48 ASP HB2 . 19989 1 475 . 1 1 48 48 ASP HB3 H 1 2.59 0.003 . . . . . A 48 ASP HB3 . 19989 1 476 . 1 1 48 48 ASP CA C 13 53.547 0.139 . . . . . A 48 ASP CA . 19989 1 477 . 1 1 48 48 ASP CB C 13 42.58 0.15 . . . . . A 48 ASP CB . 19989 1 478 . 1 1 48 48 ASP N N 15 122.773 0.059 . . . . . A 48 ASP N . 19989 1 479 . 1 1 49 49 ILE H H 1 9.37 0.002 . . . . . A 49 ILE H . 19989 1 480 . 1 1 49 49 ILE HA H 1 4.543 0.018 . . . . . A 49 ILE HA . 19989 1 481 . 1 1 49 49 ILE HB H 1 1.879 0.009 . . . . . A 49 ILE HB . 19989 1 482 . 1 1 49 49 ILE HG12 H 1 1.411 0.01 . . . . . A 49 ILE HG12 . 19989 1 483 . 1 1 49 49 ILE HG13 H 1 1.193 0.009 . . . . . A 49 ILE HG13 . 19989 1 484 . 1 1 49 49 ILE HG21 H 1 1.041 0.004 . . . . . A 49 ILE HG21 . 19989 1 485 . 1 1 49 49 ILE HG22 H 1 1.041 0.004 . . . . . A 49 ILE HG22 . 19989 1 486 . 1 1 49 49 ILE HG23 H 1 1.041 0.004 . . . . . A 49 ILE HG23 . 19989 1 487 . 1 1 49 49 ILE HD11 H 1 0.672 0.004 . . . . . A 49 ILE HD11 . 19989 1 488 . 1 1 49 49 ILE HD12 H 1 0.672 0.004 . . . . . A 49 ILE HD12 . 19989 1 489 . 1 1 49 49 ILE HD13 H 1 0.672 0.004 . . . . . A 49 ILE HD13 . 19989 1 490 . 1 1 49 49 ILE CA C 13 59.999 0.044 . . . . . A 49 ILE CA . 19989 1 491 . 1 1 49 49 ILE CB C 13 41.624 0.109 . . . . . A 49 ILE CB . 19989 1 492 . 1 1 49 49 ILE CG1 C 13 27.38 0 . . . . . A 49 ILE CG1 . 19989 1 493 . 1 1 49 49 ILE CG2 C 13 17.604 0.182 . . . . . A 49 ILE CG2 . 19989 1 494 . 1 1 49 49 ILE CD1 C 13 12.98 0.089 . . . . . A 49 ILE CD1 . 19989 1 495 . 1 1 49 49 ILE N N 15 122.97 0.116 . . . . . A 49 ILE N . 19989 1 496 . 1 1 50 50 CYS H H 1 8.837 0.002 . . . . . A 50 CYS H . 19989 1 497 . 1 1 50 50 CYS HA H 1 5.263 0.006 . . . . . A 50 CYS HA . 19989 1 498 . 1 1 50 50 CYS HB2 H 1 3.729 0.007 . . . . . A 50 CYS HB2 . 19989 1 499 . 1 1 50 50 CYS HB3 H 1 2.874 0.003 . . . . . A 50 CYS HB3 . 19989 1 500 . 1 1 50 50 CYS CA C 13 57.733 0.125 . . . . . A 50 CYS CA . 19989 1 501 . 1 1 50 50 CYS CB C 13 46.567 0.12 . . . . . A 50 CYS CB . 19989 1 502 . 1 1 50 50 CYS N N 15 126.779 0.035 . . . . . A 50 CYS N . 19989 1 503 . 1 1 51 51 ALA H H 1 9.632 0.005 . . . . . A 51 ALA H . 19989 1 504 . 1 1 51 51 ALA HA H 1 4.86 0.004 . . . . . A 51 ALA HA . 19989 1 505 . 1 1 51 51 ALA HB1 H 1 1.363 0.002 . . . . . A 51 ALA HB1 . 19989 1 506 . 1 1 51 51 ALA HB2 H 1 1.363 0.002 . . . . . A 51 ALA HB2 . 19989 1 507 . 1 1 51 51 ALA HB3 H 1 1.363 0.002 . . . . . A 51 ALA HB3 . 19989 1 508 . 1 1 51 51 ALA CA C 13 51.597 0.083 . . . . . A 51 ALA CA . 19989 1 509 . 1 1 51 51 ALA CB C 13 24.402 0.147 . . . . . A 51 ALA CB . 19989 1 510 . 1 1 51 51 ALA N N 15 125.049 0.075 . . . . . A 51 ALA N . 19989 1 511 . 1 1 52 52 ASP H H 1 8.591 0.001 . . . . . A 52 ASP H . 19989 1 512 . 1 1 52 52 ASP HA H 1 4.765 0.004 . . . . . A 52 ASP HA . 19989 1 513 . 1 1 52 52 ASP HB2 H 1 2.941 0.004 . . . . . A 52 ASP HB2 . 19989 1 514 . 1 1 52 52 ASP HB3 H 1 2.53 0.004 . . . . . A 52 ASP HB3 . 19989 1 515 . 1 1 52 52 ASP CA C 13 51.173 0.16 . . . . . A 52 ASP CA . 19989 1 516 . 1 1 52 52 ASP CB C 13 43.341 0.029 . . . . . A 52 ASP CB . 19989 1 517 . 1 1 52 52 ASP N N 15 120.582 0.026 . . . . . A 52 ASP N . 19989 1 518 . 1 1 53 53 PRO HA H 1 4.051 0.002 . . . . . A 53 PRO HA . 19989 1 519 . 1 1 53 53 PRO HB2 H 1 1.938 0.008 . . . . . A 53 PRO HB2 . 19989 1 520 . 1 1 53 53 PRO HB3 H 1 1.938 0.008 . . . . . A 53 PRO HB3 . 19989 1 521 . 1 1 53 53 PRO HG2 H 1 1.827 0.003 . . . . . A 53 PRO HG2 . 19989 1 522 . 1 1 53 53 PRO HG3 H 1 1.779 0.024 . . . . . A 53 PRO HG3 . 19989 1 523 . 1 1 53 53 PRO HD2 H 1 4.063 0.047 . . . . . A 53 PRO HD2 . 19989 1 524 . 1 1 53 53 PRO HD3 H 1 4.063 0.047 . . . . . A 53 PRO HD3 . 19989 1 525 . 1 1 53 53 PRO CA C 13 63.863 0.086 . . . . . A 53 PRO CA . 19989 1 526 . 1 1 53 53 PRO CB C 13 31.872 0.06 . . . . . A 53 PRO CB . 19989 1 527 . 1 1 53 53 PRO CG C 13 26.68 0 . . . . . A 53 PRO CG . 19989 1 528 . 1 1 53 53 PRO CD C 13 51.047 0.009 . . . . . A 53 PRO CD . 19989 1 529 . 1 1 53 53 PRO N N 15 134.852 0.067 . . . . . A 53 PRO N . 19989 1 530 . 1 1 54 54 LYS H H 1 8.291 0.005 . . . . . A 54 LYS H . 19989 1 531 . 1 1 54 54 LYS HA H 1 4.003 0.003 . . . . . A 54 LYS HA . 19989 1 532 . 1 1 54 54 LYS HB2 H 1 1.789 0.01 . . . . . A 54 LYS HB2 . 19989 1 533 . 1 1 54 54 LYS HB3 H 1 1.789 0.01 . . . . . A 54 LYS HB3 . 19989 1 534 . 1 1 54 54 LYS HG2 H 1 1.407 0.002 . . . . . A 54 LYS HG2 . 19989 1 535 . 1 1 54 54 LYS HG3 H 1 1.407 0.002 . . . . . A 54 LYS HG3 . 19989 1 536 . 1 1 54 54 LYS HD2 H 1 1.696 0.003 . . . . . A 54 LYS HD2 . 19989 1 537 . 1 1 54 54 LYS HD3 H 1 1.696 0.003 . . . . . A 54 LYS HD3 . 19989 1 538 . 1 1 54 54 LYS HE2 H 1 3.005 0.002 . . . . . A 54 LYS HE2 . 19989 1 539 . 1 1 54 54 LYS HE3 H 1 3.005 0.002 . . . . . A 54 LYS HE3 . 19989 1 540 . 1 1 54 54 LYS CA C 13 57.619 0.044 . . . . . A 54 LYS CA . 19989 1 541 . 1 1 54 54 LYS CB C 13 32.148 0.104 . . . . . A 54 LYS CB . 19989 1 542 . 1 1 54 54 LYS CG C 13 25.27 0 . . . . . A 54 LYS CG . 19989 1 543 . 1 1 54 54 LYS CD C 13 29.02 0 . . . . . A 54 LYS CD . 19989 1 544 . 1 1 54 54 LYS CE C 13 41.86 0 . . . . . A 54 LYS CE . 19989 1 545 . 1 1 54 54 LYS N N 15 117.362 0.141 . . . . . A 54 LYS N . 19989 1 546 . 1 1 55 55 LYS H H 1 7.537 0.002 . . . . . A 55 LYS H . 19989 1 547 . 1 1 55 55 LYS HA H 1 4.293 0.003 . . . . . A 55 LYS HA . 19989 1 548 . 1 1 55 55 LYS HB2 H 1 1.581 0.003 . . . . . A 55 LYS HB2 . 19989 1 549 . 1 1 55 55 LYS HB3 H 1 1.825 0.006 . . . . . A 55 LYS HB3 . 19989 1 550 . 1 1 55 55 LYS HG2 H 1 1.653 0.005 . . . . . A 55 LYS HG2 . 19989 1 551 . 1 1 55 55 LYS HG3 H 1 1.469 0.004 . . . . . A 55 LYS HG3 . 19989 1 552 . 1 1 55 55 LYS HD2 H 1 1.836 0 . . . . . A 55 LYS HD2 . 19989 1 553 . 1 1 55 55 LYS HD3 H 1 1.836 0 . . . . . A 55 LYS HD3 . 19989 1 554 . 1 1 55 55 LYS HE2 H 1 3.219 0.004 . . . . . A 55 LYS HE2 . 19989 1 555 . 1 1 55 55 LYS HE3 H 1 3.141 0.031 . . . . . A 55 LYS HE3 . 19989 1 556 . 1 1 55 55 LYS CA C 13 54.859 0.081 . . . . . A 55 LYS CA . 19989 1 557 . 1 1 55 55 LYS CB C 13 32.872 0.037 . . . . . A 55 LYS CB . 19989 1 558 . 1 1 55 55 LYS CG C 13 26.081 0.012 . . . . . A 55 LYS CG . 19989 1 559 . 1 1 55 55 LYS CD C 13 28.607 0 . . . . . A 55 LYS CD . 19989 1 560 . 1 1 55 55 LYS CE C 13 42.347 0 . . . . . A 55 LYS CE . 19989 1 561 . 1 1 55 55 LYS N N 15 118.404 0.02 . . . . . A 55 LYS N . 19989 1 562 . 1 1 56 56 LYS HA H 1 3.847 0.003 . . . . . A 56 LYS HA . 19989 1 563 . 1 1 56 56 LYS HB2 H 1 1.992 0.001 . . . . . A 56 LYS HB2 . 19989 1 564 . 1 1 56 56 LYS HB3 H 1 1.992 0.001 . . . . . A 56 LYS HB3 . 19989 1 565 . 1 1 56 56 LYS HG2 H 1 1.476 0.003 . . . . . A 56 LYS HG2 . 19989 1 566 . 1 1 56 56 LYS HG3 H 1 1.476 0.003 . . . . . A 56 LYS HG3 . 19989 1 567 . 1 1 56 56 LYS HD2 H 1 1.784 0.007 . . . . . A 56 LYS HD2 . 19989 1 568 . 1 1 56 56 LYS HD3 H 1 1.649 0.004 . . . . . A 56 LYS HD3 . 19989 1 569 . 1 1 56 56 LYS HE2 H 1 3.065 0.002 . . . . . A 56 LYS HE2 . 19989 1 570 . 1 1 56 56 LYS HE3 H 1 3.065 0.002 . . . . . A 56 LYS HE3 . 19989 1 571 . 1 1 56 56 LYS CA C 13 59.874 0.098 . . . . . A 56 LYS CA . 19989 1 572 . 1 1 56 56 LYS CB C 13 32.041 0.112 . . . . . A 56 LYS CB . 19989 1 573 . 1 1 56 56 LYS CG C 13 25.11 0 . . . . . A 56 LYS CG . 19989 1 574 . 1 1 56 56 LYS CD C 13 28.99 0 . . . . . A 56 LYS CD . 19989 1 575 . 1 1 56 56 LYS CE C 13 42.79 0 . . . . . A 56 LYS CE . 19989 1 576 . 1 1 56 56 LYS N N 15 126.391 0.064 . . . . . A 56 LYS N . 19989 1 577 . 1 1 57 57 TRP H H 1 8.503 0.001 . . . . . A 57 TRP H . 19989 1 578 . 1 1 57 57 TRP HA H 1 4.551 0.002 . . . . . A 57 TRP HA . 19989 1 579 . 1 1 57 57 TRP HB2 H 1 3.467 0.001 . . . . . A 57 TRP HB2 . 19989 1 580 . 1 1 57 57 TRP HB3 H 1 3.239 0.008 . . . . . A 57 TRP HB3 . 19989 1 581 . 1 1 57 57 TRP HD1 H 1 7.608 0.008 . . . . . A 57 TRP HD1 . 19989 1 582 . 1 1 57 57 TRP HE1 H 1 10.212 0 . . . . . A 57 TRP HE1 . 19989 1 583 . 1 1 57 57 TRP HE3 H 1 7.287 0.001 . . . . . A 57 TRP HE3 . 19989 1 584 . 1 1 57 57 TRP HZ3 H 1 7.104 0.005 . . . . . A 57 TRP HZ3 . 19989 1 585 . 1 1 57 57 TRP CA C 13 59.657 0.077 . . . . . A 57 TRP CA . 19989 1 586 . 1 1 57 57 TRP CB C 13 26.948 0.101 . . . . . A 57 TRP CB . 19989 1 587 . 1 1 57 57 TRP N N 15 114.734 0.1 . . . . . A 57 TRP N . 19989 1 588 . 1 1 57 57 TRP NE1 N 15 129.702 0 . . . . . A 57 TRP NE1 . 19989 1 589 . 1 1 58 58 VAL H H 1 6.237 0.001 . . . . . A 58 VAL H . 19989 1 590 . 1 1 58 58 VAL HA H 1 2.928 0.003 . . . . . A 58 VAL HA . 19989 1 591 . 1 1 58 58 VAL HB H 1 1.969 0.002 . . . . . A 58 VAL HB . 19989 1 592 . 1 1 58 58 VAL HG11 H 1 0.504 0.003 . . . . . A 58 VAL HG11 . 19989 1 593 . 1 1 58 58 VAL HG12 H 1 0.504 0.003 . . . . . A 58 VAL HG12 . 19989 1 594 . 1 1 58 58 VAL HG13 H 1 0.504 0.003 . . . . . A 58 VAL HG13 . 19989 1 595 . 1 1 58 58 VAL HG21 H 1 -0.586 0.002 . . . . . A 58 VAL HG21 . 19989 1 596 . 1 1 58 58 VAL HG22 H 1 -0.586 0.002 . . . . . A 58 VAL HG22 . 19989 1 597 . 1 1 58 58 VAL HG23 H 1 -0.586 0.002 . . . . . A 58 VAL HG23 . 19989 1 598 . 1 1 58 58 VAL CA C 13 66.137 0.04 . . . . . A 58 VAL CA . 19989 1 599 . 1 1 58 58 VAL CB C 13 31.103 0.101 . . . . . A 58 VAL CB . 19989 1 600 . 1 1 58 58 VAL CG1 C 13 21.29 0.057 . . . . . A 58 VAL CG1 . 19989 1 601 . 1 1 58 58 VAL CG2 C 13 21.535 0.173 . . . . . A 58 VAL CG2 . 19989 1 602 . 1 1 58 58 VAL N N 15 126.381 0.041 . . . . . A 58 VAL N . 19989 1 603 . 1 1 59 59 GLN H H 1 7.454 0.012 . . . . . A 59 GLN H . 19989 1 604 . 1 1 59 59 GLN HA H 1 3.928 0.002 . . . . . A 59 GLN HA . 19989 1 605 . 1 1 59 59 GLN HB2 H 1 2.122 0.002 . . . . . A 59 GLN HB2 . 19989 1 606 . 1 1 59 59 GLN HB3 H 1 2.122 0.002 . . . . . A 59 GLN HB3 . 19989 1 607 . 1 1 59 59 GLN HG2 H 1 2.423 0.007 . . . . . A 59 GLN HG2 . 19989 1 608 . 1 1 59 59 GLN HG3 H 1 2.318 0.003 . . . . . A 59 GLN HG3 . 19989 1 609 . 1 1 59 59 GLN HE21 H 1 7.403 0.001 . . . . . A 59 GLN HE21 . 19989 1 610 . 1 1 59 59 GLN HE22 H 1 6.597 0 . . . . . A 59 GLN HE22 . 19989 1 611 . 1 1 59 59 GLN CA C 13 59.258 0.085 . . . . . A 59 GLN CA . 19989 1 612 . 1 1 59 59 GLN CB C 13 27.752 0.054 . . . . . A 59 GLN CB . 19989 1 613 . 1 1 59 59 GLN CG C 13 33.439 0.076 . . . . . A 59 GLN CG . 19989 1 614 . 1 1 59 59 GLN N N 15 120.418 0.136 . . . . . A 59 GLN N . 19989 1 615 . 1 1 59 59 GLN NE2 N 15 110.669 0.161 . . . . . A 59 GLN NE2 . 19989 1 616 . 1 1 60 60 ASP H H 1 8.953 0.005 . . . . . A 60 ASP H . 19989 1 617 . 1 1 60 60 ASP HA H 1 4.374 0.003 . . . . . A 60 ASP HA . 19989 1 618 . 1 1 60 60 ASP HB3 H 1 2.682 0.006 . . . . . A 60 ASP HB3 . 19989 1 619 . 1 1 60 60 ASP CA C 13 57.69 0.223 . . . . . A 60 ASP CA . 19989 1 620 . 1 1 60 60 ASP CB C 13 40.054 0.102 . . . . . A 60 ASP CB . 19989 1 621 . 1 1 60 60 ASP N N 15 120.017 0.031 . . . . . A 60 ASP N . 19989 1 622 . 1 1 61 61 SER H H 1 7.954 0.006 . . . . . A 61 SER H . 19989 1 623 . 1 1 61 61 SER HA H 1 4.218 0.006 . . . . . A 61 SER HA . 19989 1 624 . 1 1 61 61 SER HB2 H 1 3.48 0.001 . . . . . A 61 SER HB2 . 19989 1 625 . 1 1 61 61 SER HB3 H 1 3.48 0.001 . . . . . A 61 SER HB3 . 19989 1 626 . 1 1 61 61 SER CA C 13 63.3 0.123 . . . . . A 61 SER CA . 19989 1 627 . 1 1 61 61 SER CB C 13 63.777 0.162 . . . . . A 61 SER CB . 19989 1 628 . 1 1 61 61 SER N N 15 118.424 0.021 . . . . . A 61 SER N . 19989 1 629 . 1 1 62 62 MET H H 1 8.11 0.004 . . . . . A 62 MET H . 19989 1 630 . 1 1 62 62 MET HA H 1 3.625 0.003 . . . . . A 62 MET HA . 19989 1 631 . 1 1 62 62 MET HB2 H 1 2.015 0.004 . . . . . A 62 MET HB2 . 19989 1 632 . 1 1 62 62 MET HB3 H 1 1.672 0.006 . . . . . A 62 MET HB3 . 19989 1 633 . 1 1 62 62 MET HG2 H 1 2.245 0.002 . . . . . A 62 MET HG2 . 19989 1 634 . 1 1 62 62 MET HG3 H 1 0.514 0.003 . . . . . A 62 MET HG3 . 19989 1 635 . 1 1 62 62 MET HE1 H 1 1.788 0 . . . . . A 62 MET HE1 . 19989 1 636 . 1 1 62 62 MET HE2 H 1 1.788 0 . . . . . A 62 MET HE2 . 19989 1 637 . 1 1 62 62 MET HE3 H 1 1.788 0 . . . . . A 62 MET HE3 . 19989 1 638 . 1 1 62 62 MET CA C 13 60.422 0.021 . . . . . A 62 MET CA . 19989 1 639 . 1 1 62 62 MET CB C 13 34.113 0.062 . . . . . A 62 MET CB . 19989 1 640 . 1 1 62 62 MET CG C 13 30.652 0.028 . . . . . A 62 MET CG . 19989 1 641 . 1 1 62 62 MET CE C 13 16.234 0.113 . . . . . A 62 MET CE . 19989 1 642 . 1 1 62 62 MET N N 15 120.993 0.019 . . . . . A 62 MET N . 19989 1 643 . 1 1 63 63 LYS H H 1 7.6 0.001 . . . . . A 63 LYS H . 19989 1 644 . 1 1 63 63 LYS HA H 1 4.083 0.001 . . . . . A 63 LYS HA . 19989 1 645 . 1 1 63 63 LYS HB2 H 1 1.936 0.002 . . . . . A 63 LYS HB2 . 19989 1 646 . 1 1 63 63 LYS HB3 H 1 1.936 0.002 . . . . . A 63 LYS HB3 . 19989 1 647 . 1 1 63 63 LYS HG2 H 1 1.612 0.003 . . . . . A 63 LYS HG2 . 19989 1 648 . 1 1 63 63 LYS HG3 H 1 1.476 0.003 . . . . . A 63 LYS HG3 . 19989 1 649 . 1 1 63 63 LYS HD2 H 1 1.74 0.002 . . . . . A 63 LYS HD2 . 19989 1 650 . 1 1 63 63 LYS HD3 H 1 1.74 0.002 . . . . . A 63 LYS HD3 . 19989 1 651 . 1 1 63 63 LYS HE2 H 1 2.985 0.011 . . . . . A 63 LYS HE2 . 19989 1 652 . 1 1 63 63 LYS HE3 H 1 2.985 0.011 . . . . . A 63 LYS HE3 . 19989 1 653 . 1 1 63 63 LYS CA C 13 59.723 0.062 . . . . . A 63 LYS CA . 19989 1 654 . 1 1 63 63 LYS CB C 13 32.271 0.03 . . . . . A 63 LYS CB . 19989 1 655 . 1 1 63 63 LYS CG C 13 25.152 0.004 . . . . . A 63 LYS CG . 19989 1 656 . 1 1 63 63 LYS CD C 13 29.43 0 . . . . . A 63 LYS CD . 19989 1 657 . 1 1 63 63 LYS CE C 13 42.38 0 . . . . . A 63 LYS CE . 19989 1 658 . 1 1 63 63 LYS N N 15 117.208 0.042 . . . . . A 63 LYS N . 19989 1 659 . 1 1 64 64 TYR H H 1 7.782 0.001 . . . . . A 64 TYR H . 19989 1 660 . 1 1 64 64 TYR HA H 1 4.262 0.002 . . . . . A 64 TYR HA . 19989 1 661 . 1 1 64 64 TYR HB2 H 1 3.218 0.002 . . . . . A 64 TYR HB2 . 19989 1 662 . 1 1 64 64 TYR HB3 H 1 3.218 0.002 . . . . . A 64 TYR HB3 . 19989 1 663 . 1 1 64 64 TYR HD1 H 1 7.096 0.01 . . . . . A 64 TYR HD1 . 19989 1 664 . 1 1 64 64 TYR HD2 H 1 7.096 0.01 . . . . . A 64 TYR HD2 . 19989 1 665 . 1 1 64 64 TYR HE1 H 1 6.835 0.004 . . . . . A 64 TYR HE1 . 19989 1 666 . 1 1 64 64 TYR HE2 H 1 6.835 0.004 . . . . . A 64 TYR HE2 . 19989 1 667 . 1 1 64 64 TYR CA C 13 61.209 0.137 . . . . . A 64 TYR CA . 19989 1 668 . 1 1 64 64 TYR CB C 13 38.64 0.032 . . . . . A 64 TYR CB . 19989 1 669 . 1 1 64 64 TYR N N 15 118.896 0.034 . . . . . A 64 TYR N . 19989 1 670 . 1 1 65 65 LEU H H 1 8.103 0.001 . . . . . A 65 LEU H . 19989 1 671 . 1 1 65 65 LEU HA H 1 3.989 0.003 . . . . . A 65 LEU HA . 19989 1 672 . 1 1 65 65 LEU HB2 H 1 2.276 0.005 . . . . . A 65 LEU HB2 . 19989 1 673 . 1 1 65 65 LEU HB3 H 1 1.743 0.005 . . . . . A 65 LEU HB3 . 19989 1 674 . 1 1 65 65 LEU HG H 1 2.215 0.004 . . . . . A 65 LEU HG . 19989 1 675 . 1 1 65 65 LEU HD11 H 1 1.163 0.003 . . . . . A 65 LEU HD11 . 19989 1 676 . 1 1 65 65 LEU HD12 H 1 1.163 0.003 . . . . . A 65 LEU HD12 . 19989 1 677 . 1 1 65 65 LEU HD13 H 1 1.163 0.003 . . . . . A 65 LEU HD13 . 19989 1 678 . 1 1 65 65 LEU HD21 H 1 0.889 0.006 . . . . . A 65 LEU HD21 . 19989 1 679 . 1 1 65 65 LEU HD22 H 1 0.889 0.006 . . . . . A 65 LEU HD22 . 19989 1 680 . 1 1 65 65 LEU HD23 H 1 0.889 0.006 . . . . . A 65 LEU HD23 . 19989 1 681 . 1 1 65 65 LEU CA C 13 57.597 0.052 . . . . . A 65 LEU CA . 19989 1 682 . 1 1 65 65 LEU CB C 13 41.858 0.045 . . . . . A 65 LEU CB . 19989 1 683 . 1 1 65 65 LEU CG C 13 27.22 0 . . . . . A 65 LEU CG . 19989 1 684 . 1 1 65 65 LEU CD1 C 13 27.213 0.036 . . . . . A 65 LEU CD1 . 19989 1 685 . 1 1 65 65 LEU CD2 C 13 21.969 0 . . . . . A 65 LEU CD2 . 19989 1 686 . 1 1 65 65 LEU N N 15 119.92 0.016 . . . . . A 65 LEU N . 19989 1 687 . 1 1 66 66 ASP H H 1 8.736 0 . . . . . A 66 ASP H . 19989 1 688 . 1 1 66 66 ASP HA H 1 4.545 0.001 . . . . . A 66 ASP HA . 19989 1 689 . 1 1 66 66 ASP HB3 H 1 2.748 0.001 . . . . . A 66 ASP HB3 . 19989 1 690 . 1 1 66 66 ASP CA C 13 56.877 0.058 . . . . . A 66 ASP CA . 19989 1 691 . 1 1 66 66 ASP CB C 13 40.435 0.032 . . . . . A 66 ASP CB . 19989 1 692 . 1 1 66 66 ASP N N 15 120.801 0.043 . . . . . A 66 ASP N . 19989 1 693 . 1 1 67 67 GLN H H 1 7.563 0.004 . . . . . A 67 GLN H . 19989 1 694 . 1 1 67 67 GLN HA H 1 4.236 0.002 . . . . . A 67 GLN HA . 19989 1 695 . 1 1 67 67 GLN HB2 H 1 2.126 0.003 . . . . . A 67 GLN HB2 . 19989 1 696 . 1 1 67 67 GLN HB3 H 1 2.126 0.003 . . . . . A 67 GLN HB3 . 19989 1 697 . 1 1 67 67 GLN HG2 H 1 2.58 0.003 . . . . . A 67 GLN HG2 . 19989 1 698 . 1 1 67 67 GLN HG3 H 1 2.399 0.003 . . . . . A 67 GLN HG3 . 19989 1 699 . 1 1 67 67 GLN HE22 H 1 6.799 0.036 . . . . . A 67 GLN HE22 . 19989 1 700 . 1 1 67 67 GLN CA C 13 56.822 0.071 . . . . . A 67 GLN CA . 19989 1 701 . 1 1 67 67 GLN CB C 13 28.988 0.032 . . . . . A 67 GLN CB . 19989 1 702 . 1 1 67 67 GLN CG C 13 34.331 0.053 . . . . . A 67 GLN CG . 19989 1 703 . 1 1 67 67 GLN N N 15 116.93 0.05 . . . . . A 67 GLN N . 19989 1 704 . 1 1 67 67 GLN NE2 N 15 111.179 0.47 . . . . . A 67 GLN NE2 . 19989 1 705 . 1 1 68 68 LYS H H 1 7.541 0.003 . . . . . A 68 LYS H . 19989 1 706 . 1 1 68 68 LYS HA H 1 4.209 0.005 . . . . . A 68 LYS HA . 19989 1 707 . 1 1 68 68 LYS HB2 H 1 1.804 0.002 . . . . . A 68 LYS HB2 . 19989 1 708 . 1 1 68 68 LYS HB3 H 1 1.703 0.003 . . . . . A 68 LYS HB3 . 19989 1 709 . 1 1 68 68 LYS HG2 H 1 1.359 0.002 . . . . . A 68 LYS HG2 . 19989 1 710 . 1 1 68 68 LYS HG3 H 1 1.359 0.002 . . . . . A 68 LYS HG3 . 19989 1 711 . 1 1 68 68 LYS HD2 H 1 1.603 0.002 . . . . . A 68 LYS HD2 . 19989 1 712 . 1 1 68 68 LYS HD3 H 1 1.603 0.002 . . . . . A 68 LYS HD3 . 19989 1 713 . 1 1 68 68 LYS HE2 H 1 2.93 0.007 . . . . . A 68 LYS HE2 . 19989 1 714 . 1 1 68 68 LYS HE3 H 1 2.93 0.007 . . . . . A 68 LYS HE3 . 19989 1 715 . 1 1 68 68 LYS CA C 13 56.616 0.012 . . . . . A 68 LYS CA . 19989 1 716 . 1 1 68 68 LYS CB C 13 32.776 0.064 . . . . . A 68 LYS CB . 19989 1 717 . 1 1 68 68 LYS CG C 13 24.46 0 . . . . . A 68 LYS CG . 19989 1 718 . 1 1 68 68 LYS CD C 13 29.07 0 . . . . . A 68 LYS CD . 19989 1 719 . 1 1 68 68 LYS CE C 13 42.171 0 . . . . . A 68 LYS CE . 19989 1 720 . 1 1 68 68 LYS N N 15 119.459 0.049 . . . . . A 68 LYS N . 19989 1 721 . 1 1 69 69 SER H H 1 7.924 0.001 . . . . . A 69 SER H . 19989 1 722 . 1 1 69 69 SER HA H 1 4.764 0.003 . . . . . A 69 SER HA . 19989 1 723 . 1 1 69 69 SER HB2 H 1 3.868 0.013 . . . . . A 69 SER HB2 . 19989 1 724 . 1 1 69 69 SER HB3 H 1 3.868 0.013 . . . . . A 69 SER HB3 . 19989 1 725 . 1 1 69 69 SER CA C 13 56.466 0.087 . . . . . A 69 SER CA . 19989 1 726 . 1 1 69 69 SER CB C 13 63.625 0.034 . . . . . A 69 SER CB . 19989 1 727 . 1 1 69 69 SER N N 15 116.863 0.093 . . . . . A 69 SER N . 19989 1 728 . 1 1 70 70 PRO HA H 1 4.537 0.004 . . . . . A 70 PRO HA . 19989 1 729 . 1 1 70 70 PRO HB2 H 1 2.294 0.004 . . . . . A 70 PRO HB2 . 19989 1 730 . 1 1 70 70 PRO HB3 H 1 1.937 0.005 . . . . . A 70 PRO HB3 . 19989 1 731 . 1 1 70 70 PRO HG2 H 1 2.03 0.008 . . . . . A 70 PRO HG2 . 19989 1 732 . 1 1 70 70 PRO HG3 H 1 2.03 0.008 . . . . . A 70 PRO HG3 . 19989 1 733 . 1 1 70 70 PRO HD2 H 1 3.776 0.013 . . . . . A 70 PRO HD2 . 19989 1 734 . 1 1 70 70 PRO HD3 H 1 3.727 0.006 . . . . . A 70 PRO HD3 . 19989 1 735 . 1 1 70 70 PRO CA C 13 63.416 0.06 . . . . . A 70 PRO CA . 19989 1 736 . 1 1 70 70 PRO CB C 13 32.16 0.047 . . . . . A 70 PRO CB . 19989 1 737 . 1 1 70 70 PRO CG C 13 27.39 0 . . . . . A 70 PRO CG . 19989 1 738 . 1 1 70 70 PRO CD C 13 50.92 0 . . . . . A 70 PRO CD . 19989 1 739 . 1 1 70 70 PRO N N 15 138.38 0.103 . . . . . A 70 PRO N . 19989 1 740 . 1 1 71 71 THR H H 1 8.129 0.002 . . . . . A 71 THR H . 19989 1 741 . 1 1 71 71 THR HA H 1 4.571 0.003 . . . . . A 71 THR HA . 19989 1 742 . 1 1 71 71 THR HB H 1 4.128 0.002 . . . . . A 71 THR HB . 19989 1 743 . 1 1 71 71 THR HG21 H 1 1.25 0.009 . . . . . A 71 THR HG21 . 19989 1 744 . 1 1 71 71 THR HG22 H 1 1.25 0.009 . . . . . A 71 THR HG22 . 19989 1 745 . 1 1 71 71 THR HG23 H 1 1.25 0.009 . . . . . A 71 THR HG23 . 19989 1 746 . 1 1 71 71 THR CA C 13 59.876 0.09 . . . . . A 71 THR CA . 19989 1 747 . 1 1 71 71 THR CB C 13 69.925 0.064 . . . . . A 71 THR CB . 19989 1 748 . 1 1 71 71 THR CG2 C 13 21.635 0.121 . . . . . A 71 THR CG2 . 19989 1 749 . 1 1 71 71 THR N N 15 116.753 0.036 . . . . . A 71 THR N . 19989 1 750 . 1 1 72 72 PRO HA H 1 4.416 0.002 . . . . . A 72 PRO HA . 19989 1 751 . 1 1 72 72 PRO HB2 H 1 2.281 0.005 . . . . . A 72 PRO HB2 . 19989 1 752 . 1 1 72 72 PRO HB3 H 1 1.876 0.008 . . . . . A 72 PRO HB3 . 19989 1 753 . 1 1 72 72 PRO HG2 H 1 2.028 0 . . . . . A 72 PRO HG2 . 19989 1 754 . 1 1 72 72 PRO HG3 H 1 1.968 0 . . . . . A 72 PRO HG3 . 19989 1 755 . 1 1 72 72 PRO HD2 H 1 3.854 0.002 . . . . . A 72 PRO HD2 . 19989 1 756 . 1 1 72 72 PRO HD3 H 1 3.696 0.002 . . . . . A 72 PRO HD3 . 19989 1 757 . 1 1 72 72 PRO CA C 13 63.357 0.075 . . . . . A 72 PRO CA . 19989 1 758 . 1 1 72 72 PRO CB C 13 32.218 0.044 . . . . . A 72 PRO CB . 19989 1 759 . 1 1 72 72 PRO CG C 13 27.5 0 . . . . . A 72 PRO CG . 19989 1 760 . 1 1 72 72 PRO CD C 13 51.39 0 . . . . . A 72 PRO CD . 19989 1 761 . 1 1 72 72 PRO N N 15 139.756 0.045 . . . . . A 72 PRO N . 19989 1 762 . 1 1 73 73 LYS H H 1 8.235 0.002 . . . . . A 73 LYS H . 19989 1 763 . 1 1 73 73 LYS HA H 1 4.61 0.002 . . . . . A 73 LYS HA . 19989 1 764 . 1 1 73 73 LYS HB2 H 1 1.866 0.009 . . . . . A 73 LYS HB2 . 19989 1 765 . 1 1 73 73 LYS HB3 H 1 1.866 0.009 . . . . . A 73 LYS HB3 . 19989 1 766 . 1 1 73 73 LYS HG2 H 1 1.507 0 . . . . . A 73 LYS HG2 . 19989 1 767 . 1 1 73 73 LYS HG3 H 1 1.507 0 . . . . . A 73 LYS HG3 . 19989 1 768 . 1 1 73 73 LYS HD2 H 1 1.709 0.001 . . . . . A 73 LYS HD2 . 19989 1 769 . 1 1 73 73 LYS HD3 H 1 1.709 0.001 . . . . . A 73 LYS HD3 . 19989 1 770 . 1 1 73 73 LYS HE2 H 1 3.014 0.012 . . . . . A 73 LYS HE2 . 19989 1 771 . 1 1 73 73 LYS HE3 H 1 3.014 0.012 . . . . . A 73 LYS HE3 . 19989 1 772 . 1 1 73 73 LYS CA C 13 54.059 0.021 . . . . . A 73 LYS CA . 19989 1 773 . 1 1 73 73 LYS CB C 13 32.471 0.128 . . . . . A 73 LYS CB . 19989 1 774 . 1 1 73 73 LYS CG C 13 26.433 0 . . . . . A 73 LYS CG . 19989 1 775 . 1 1 73 73 LYS CD C 13 29.15 0.004 . . . . . A 73 LYS CD . 19989 1 776 . 1 1 73 73 LYS CE C 13 42.18 0.029 . . . . . A 73 LYS CE . 19989 1 777 . 1 1 73 73 LYS N N 15 123.346 0.042 . . . . . A 73 LYS N . 19989 1 778 . 1 1 74 74 PRO N N 15 142.905 0.004 . . . . . A 74 PRO N . 19989 1 779 . 2 2 1 1 VAL HA H 1 3.77 0.016 . . . . . . 208 VAL HA . 19989 1 780 . 2 2 1 1 VAL HB H 1 2.185 0.001 . . . . . . 208 VAL HB . 19989 1 781 . 2 2 1 1 VAL HG11 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 782 . 2 2 1 1 VAL HG12 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 783 . 2 2 1 1 VAL HG13 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 784 . 2 2 1 1 VAL HG21 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 785 . 2 2 1 1 VAL HG22 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 786 . 2 2 1 1 VAL HG23 H 1 0.99 0.005 . . . . . . 208 VAL QQG . 19989 1 787 . 2 2 2 2 GLU HA H 1 4.409 0.002 . . . . . . 209 GLU HA . 19989 1 788 . 2 2 2 2 GLU HB2 H 1 1.932 0.004 . . . . . . 209 GLU HB2 . 19989 1 789 . 2 2 2 2 GLU HB3 H 1 1.82 0 . . . . . . 209 GLU HB3 . 19989 1 790 . 2 2 2 2 GLU HG2 H 1 2.194 0.007 . . . . . . 209 GLU QG . 19989 1 791 . 2 2 2 2 GLU HG3 H 1 2.194 0.007 . . . . . . 209 GLU QG . 19989 1 792 . 2 2 3 3 THR HA H 1 4.276 0.004 . . . . . . 210 THR HA . 19989 1 793 . 2 2 3 3 THR HB H 1 4.086 0.025 . . . . . . 210 THR HB . 19989 1 794 . 2 2 3 3 THR HG21 H 1 1.092 0.006 . . . . . . 210 THR QG2 . 19989 1 795 . 2 2 3 3 THR HG22 H 1 1.092 0.006 . . . . . . 210 THR QG2 . 19989 1 796 . 2 2 3 3 THR HG23 H 1 1.092 0.006 . . . . . . 210 THR QG2 . 19989 1 797 . 2 2 4 4 PHE HA H 1 4.636 0.018 . . . . . . 211 PHE HA . 19989 1 798 . 2 2 4 4 PHE HB2 H 1 3.169 0.002 . . . . . . 211 PHE HB2 . 19989 1 799 . 2 2 4 4 PHE HB3 H 1 3.009 0.007 . . . . . . 211 PHE HB3 . 19989 1 800 . 2 2 4 4 PHE HD1 H 1 7.226 0.009 . . . . . . 211 PHE QD . 19989 1 801 . 2 2 4 4 PHE HD2 H 1 7.226 0.009 . . . . . . 211 PHE QD . 19989 1 802 . 2 2 4 4 PHE HE1 H 1 7.31 0 . . . . . . 211 PHE QE . 19989 1 803 . 2 2 4 4 PHE HE2 H 1 7.31 0 . . . . . . 211 PHE QE . 19989 1 804 . 2 2 4 4 PHE HZ H 1 7.268 0 . . . . . . 211 PHE HZ . 19989 1 805 . 2 2 5 5 GLY HA2 H 1 3.956 0.003 . . . . . . 212 GLY QA . 19989 1 806 . 2 2 5 5 GLY HA3 H 1 3.956 0.003 . . . . . . 212 GLY QA . 19989 1 807 . 2 2 6 6 THR HA H 1 4.402 0 . . . . . . 213 THR HA . 19989 1 808 . 2 2 6 6 THR HB H 1 4.241 0.005 . . . . . . 213 THR HB . 19989 1 809 . 2 2 6 6 THR HG21 H 1 1.177 0.005 . . . . . . 213 THR QG2 . 19989 1 810 . 2 2 6 6 THR HG22 H 1 1.177 0.005 . . . . . . 213 THR QG2 . 19989 1 811 . 2 2 6 6 THR HG23 H 1 1.177 0.005 . . . . . . 213 THR QG2 . 19989 1 812 . 2 2 7 7 THR H H 1 8.116 0 . . . . . . 214 THR H . 19989 1 813 . 2 2 7 7 THR HA H 1 4.345 0.006 . . . . . . 214 THR HA . 19989 1 814 . 2 2 7 7 THR HB H 1 4.148 0.007 . . . . . . 214 THR HB . 19989 1 815 . 2 2 7 7 THR HG21 H 1 1.12 0.014 . . . . . . 214 THR QG2 . 19989 1 816 . 2 2 7 7 THR HG22 H 1 1.12 0.014 . . . . . . 214 THR QG2 . 19989 1 817 . 2 2 7 7 THR HG23 H 1 1.12 0.014 . . . . . . 214 THR QG2 . 19989 1 818 . 2 2 8 8 SER HA H 1 4.428 0 . . . . . . 215 SER HA . 19989 1 819 . 2 2 8 8 SER HB2 H 1 3.724 0.007 . . . . . . 215 SER QB . 19989 1 820 . 2 2 8 8 SER HB3 H 1 3.724 0.007 . . . . . . 215 SER QB . 19989 1 821 . 2 2 9 9 TYS H H 1 8.037 0.006 . . . . . . 216 TYS H . 19989 1 822 . 2 2 9 9 TYS HA H 1 4.426 0.006 . . . . . . 216 TYS HA . 19989 1 823 . 2 2 9 9 TYS HB2 H 1 2.86 0.012 . . . . . . 216 TYS HB2 . 19989 1 824 . 2 2 9 9 TYS HB3 H 1 2.712 0.009 . . . . . . 216 TYS HB3 . 19989 1 825 . 2 2 9 9 TYS HD1 H 1 7.026 0.007 . . . . . . 216 TYS QD . 19989 1 826 . 2 2 9 9 TYS HD2 H 1 7.026 0.007 . . . . . . 216 TYS QD . 19989 1 827 . 2 2 9 9 TYS HE1 H 1 7.12 0.008 . . . . . . 216 TYS QE . 19989 1 828 . 2 2 9 9 TYS HE2 H 1 7.12 0.008 . . . . . . 216 TYS QE . 19989 1 829 . 2 2 10 10 TYS H H 1 7.747 0.001 . . . . . . 217 TYS H . 19989 1 830 . 2 2 10 10 TYS HA H 1 4.498 0.06 . . . . . . 217 TYS HA . 19989 1 831 . 2 2 10 10 TYS HB2 H 1 3.223 0.015 . . . . . . 217 TYS HB2 . 19989 1 832 . 2 2 10 10 TYS HB3 H 1 2.874 0.026 . . . . . . 217 TYS HB3 . 19989 1 833 . 2 2 10 10 TYS HD1 H 1 7.198 0.008 . . . . . . 217 TYS QR . 19989 1 834 . 2 2 10 10 TYS HD2 H 1 7.198 0.008 . . . . . . 217 TYS QR . 19989 1 835 . 2 2 10 10 TYS HE1 H 1 7.198 0.008 . . . . . . 217 TYS QR . 19989 1 836 . 2 2 10 10 TYS HE2 H 1 7.198 0.008 . . . . . . 217 TYS QR . 19989 1 837 . 2 2 11 11 ASP HA H 1 4.588 0.001 . . . . . . 218 ASP HA . 19989 1 838 . 2 2 11 11 ASP HB2 H 1 2.674 0.009 . . . . . . 218 ASP HB2 . 19989 1 839 . 2 2 11 11 ASP HB3 H 1 2.624 0.013 . . . . . . 218 ASP HB3 . 19989 1 840 . 2 2 12 12 ASP HA H 1 4.603 0.01 . . . . . . 219 ASP HA . 19989 1 841 . 2 2 12 12 ASP HB2 H 1 2.683 0.007 . . . . . . 219 ASP HB2 . 19989 1 842 . 2 2 12 12 ASP HB3 H 1 2.628 0.012 . . . . . . 219 ASP HB3 . 19989 1 843 . 2 2 13 13 VAL H H 1 7.942 0.006 . . . . . . 220 VAL H . 19989 1 844 . 2 2 13 13 VAL HA H 1 4.108 0.007 . . . . . . 220 VAL HA . 19989 1 845 . 2 2 13 13 VAL HB H 1 2.15 0.007 . . . . . . 220 VAL HB . 19989 1 846 . 2 2 13 13 VAL HG11 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 847 . 2 2 13 13 VAL HG12 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 848 . 2 2 13 13 VAL HG13 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 849 . 2 2 13 13 VAL HG21 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 850 . 2 2 13 13 VAL HG22 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 851 . 2 2 13 13 VAL HG23 H 1 0.911 0.01 . . . . . . 220 VAL QQG . 19989 1 852 . 2 2 14 14 GLY H H 1 8.363 0.001 . . . . . . 221 GLY H . 19989 1 853 . 2 2 14 14 GLY HA2 H 1 3.933 0.012 . . . . . . 221 GLY HA2 . 19989 1 854 . 2 2 14 14 GLY HA3 H 1 3.901 0.006 . . . . . . 221 GLY HA3 . 19989 1 855 . 2 2 15 15 LEU H H 1 7.877 0.008 . . . . . . 222 LEU H . 19989 1 856 . 2 2 15 15 LEU HA H 1 4.366 0.006 . . . . . . 222 LEU HA . 19989 1 857 . 2 2 15 15 LEU HB2 H 1 1.597 0.008 . . . . . . 222 LEU QB . 19989 1 858 . 2 2 15 15 LEU HB3 H 1 1.597 0.008 . . . . . . 222 LEU QB . 19989 1 859 . 2 2 15 15 LEU HD11 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 860 . 2 2 15 15 LEU HD12 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 861 . 2 2 15 15 LEU HD13 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 862 . 2 2 15 15 LEU HD21 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 863 . 2 2 15 15 LEU HD22 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 864 . 2 2 15 15 LEU HD23 H 1 0.799 0.005 . . . . . . 222 LEU QQD . 19989 1 865 . 2 2 16 16 LEU H H 1 7.655 0.007 . . . . . . 223 LEU H . 19989 1 866 . 2 2 16 16 LEU HA H 1 4.188 0.008 . . . . . . 223 LEU HA . 19989 1 867 . 2 2 16 16 LEU HB2 H 1 1.584 0.008 . . . . . . 223 LEU QB . 19989 1 868 . 2 2 16 16 LEU HB3 H 1 1.584 0.008 . . . . . . 223 LEU QB . 19989 1 869 . 2 2 16 16 LEU HG H 1 1.555 0 . . . . . . 223 LEU HG . 19989 1 870 . 2 2 16 16 LEU HD11 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 871 . 2 2 16 16 LEU HD12 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 872 . 2 2 16 16 LEU HD13 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 873 . 2 2 16 16 LEU HD21 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 874 . 2 2 16 16 LEU HD22 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 875 . 2 2 16 16 LEU HD23 H 1 0.853 0.01 . . . . . . 223 LEU QQD . 19989 1 stop_ save_