################################### # 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 53489 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 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 $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' . . . 53489 1 2 '3D HA(CA)NCO' . . . 53489 1 3 '3D HA(CA)CON' . . . 53489 1 4 '3D (H)CBCANCO' . . . 53489 1 5 '3D (H)CBCACON' . . . 53489 1 6 '3D (H)CCCON' . . . 53489 1 7 '2D (HACA)CON' . . . 53489 1 8 '2D (HACA)CON' . . . 53489 1 9 '3D (HA)CACON' . . . 53489 1 10 '3D (HA)CANCO' . . . 53489 1 11 '1D 1H' . . . 53489 1 12 '1D 1H' . . . 53489 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53489 1 2 $software_2 . . 53489 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 GLY HA2 H 1 3.696 0.00 . . . . . . . 90 GLY HA . 53489 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.696 0.00 . . . . . . . 90 GLY HA . 53489 1 3 . 1 . 1 1 1 GLY C C 13 171.761 0.14 . . . . . . . 90 GLY C . 53489 1 4 . 1 . 1 1 1 GLY CA C 13 44.116 0.09 . . . . . . . 90 GLY CA . 53489 1 5 . 1 . 1 2 2 ASP HA H 1 4.927 0.00 . . . . . . . 91 ASP HA . 53489 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.789 0.00 . . . . . . . 91 ASP HB2 . 53489 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.591 0.00 . . . . . . . 91 ASP HB3 . 53489 1 8 . 1 . 1 2 2 ASP C C 13 175.571 0.04 . . . . . . . 91 ASP C . 53489 1 9 . 1 . 1 2 2 ASP CA C 13 51.952 0.07 . . . . . . . 91 ASP CA . 53489 1 10 . 1 . 1 2 2 ASP CB C 13 41.646 0.02 . . . . . . . 91 ASP CB . 53489 1 11 . 1 . 1 2 2 ASP N N 15 121.785 0.02 . . . . . . . 91 ASP N . 53489 1 12 . 1 . 1 3 3 PRO HA H 1 4.434 0.00 . . . . . . . 92 PRO HA . 53489 1 13 . 1 . 1 3 3 PRO HB2 H 1 2.327 0.00 . . . . . . . 92 PRO HB2 . 53489 1 14 . 1 . 1 3 3 PRO HB3 H 1 2.070 0.00 . . . . . . . 92 PRO HB3 . 53489 1 15 . 1 . 1 3 3 PRO HG2 H 1 1.981 0.00 . . . . . . . 92 PRO HG2 . 53489 1 16 . 1 . 1 3 3 PRO HD2 H 1 3.907 0.00 . . . . . . . 92 PRO HD2 . 53489 1 17 . 1 . 1 3 3 PRO C C 13 176.968 0.04 . . . . . . . 92 PRO C . 53489 1 18 . 1 . 1 3 3 PRO CA C 13 63.935 0.01 . . . . . . . 92 PRO CA . 53489 1 19 . 1 . 1 3 3 PRO CB C 13 32.023 0.04 . . . . . . . 92 PRO CB . 53489 1 20 . 1 . 1 3 3 PRO CG C 13 26.880 0.00 . . . . . . . 92 PRO CG . 53489 1 21 . 1 . 1 3 3 PRO CD C 13 51.118 0.19 . . . . . . . 92 PRO CD . 53489 1 22 . 1 . 1 3 3 PRO N N 15 138.176 0.02 . . . . . . . 92 PRO N . 53489 1 23 . 1 . 1 4 4 ASN HA H 1 4.726 0.00 . . . . . . . 93 ASN HA . 53489 1 24 . 1 . 1 4 4 ASN HB2 H 1 2.856 0.00 . . . . . . . 93 ASN HB2 . 53489 1 25 . 1 . 1 4 4 ASN HB3 H 1 2.724 0.00 . . . . . . . 93 ASN HB3 . 53489 1 26 . 1 . 1 4 4 ASN C C 13 174.623 0.05 . . . . . . . 93 ASN C . 53489 1 27 . 1 . 1 4 4 ASN CA C 13 53.067 0.08 . . . . . . . 93 ASN CA . 53489 1 28 . 1 . 1 4 4 ASN CB C 13 38.935 0.03 . . . . . . . 93 ASN CB . 53489 1 29 . 1 . 1 4 4 ASN N N 15 116.979 0.01 . . . . . . . 93 ASN N . 53489 1 30 . 1 . 1 5 5 ALA HA H 1 4.545 0.01 . . . . . . . 94 ALA HA . 53489 1 31 . 1 . 1 5 5 ALA HB1 H 1 1.380 0.00 . . . . . . . 94 ALA HB . 53489 1 32 . 1 . 1 5 5 ALA HB2 H 1 1.380 0.00 . . . . . . . 94 ALA HB . 53489 1 33 . 1 . 1 5 5 ALA HB3 H 1 1.380 0.00 . . . . . . . 94 ALA HB . 53489 1 34 . 1 . 1 5 5 ALA C C 13 175.275 0.04 . . . . . . . 94 ALA C . 53489 1 35 . 1 . 1 5 5 ALA CA C 13 50.876 0.12 . . . . . . . 94 ALA CA . 53489 1 36 . 1 . 1 5 5 ALA CB C 13 18.114 0.06 . . . . . . . 94 ALA CB . 53489 1 37 . 1 . 1 5 5 ALA N N 15 124.849 0.03 . . . . . . . 94 ALA N . 53489 1 38 . 1 . 1 6 6 PRO HA H 1 4.419 0.00 . . . . . . . 95 PRO HA . 53489 1 39 . 1 . 1 6 6 PRO HB2 H 1 2.298 0.00 . . . . . . . 95 PRO HB2 . 53489 1 40 . 1 . 1 6 6 PRO HB3 H 1 2.021 0.00 . . . . . . . 95 PRO HB3 . 53489 1 41 . 1 . 1 6 6 PRO HG3 H 1 1.864 0.00 . . . . . . . 95 PRO HG3 . 53489 1 42 . 1 . 1 6 6 PRO HD2 H 1 3.775 0.00 . . . . . . . 95 PRO HD2 . 53489 1 43 . 1 . 1 6 6 PRO HD3 H 1 3.615 0.01 . . . . . . . 95 PRO HD3 . 53489 1 44 . 1 . 1 6 6 PRO C C 13 176.925 0.05 . . . . . . . 95 PRO C . 53489 1 45 . 1 . 1 6 6 PRO CA C 13 63.076 0.03 . . . . . . . 95 PRO CA . 53489 1 46 . 1 . 1 6 6 PRO CB C 13 32.063 0.07 . . . . . . . 95 PRO CB . 53489 1 47 . 1 . 1 6 6 PRO CG C 13 27.368 0.00 . . . . . . . 95 PRO CG . 53489 1 48 . 1 . 1 6 6 PRO CD C 13 50.637 0.00 . . . . . . . 95 PRO CD . 53489 1 49 . 1 . 1 6 6 PRO N N 15 135.711 0.02 . . . . . . . 95 PRO N . 53489 1 50 . 1 . 1 7 7 LYS HA H 1 4.292 0.00 . . . . . . . 96 LYS HA . 53489 1 51 . 1 . 1 7 7 LYS HB2 H 1 1.709 0.00 . . . . . . . 96 LYS HB2 . 53489 1 52 . 1 . 1 7 7 LYS HG3 H 1 1.458 0.00 . . . . . . . 96 LYS HG3 . 53489 1 53 . 1 . 1 7 7 LYS HE2 H 1 3.018 0.00 . . . . . . . 96 LYS HE2 . 53489 1 54 . 1 . 1 7 7 LYS C C 13 176.423 0.05 . . . . . . . 96 LYS C . 53489 1 55 . 1 . 1 7 7 LYS CA C 13 56.106 0.05 . . . . . . . 96 LYS CA . 53489 1 56 . 1 . 1 7 7 LYS CB C 13 32.844 0.06 . . . . . . . 96 LYS CB . 53489 1 57 . 1 . 1 7 7 LYS N N 15 121.716 0.02 . . . . . . . 96 LYS N . 53489 1 58 . 1 . 1 8 8 ARG HA H 1 4.615 0.00 . . . . . . . 97 ARG HA . 53489 1 59 . 1 . 1 8 8 ARG HB3 H 1 1.783 0.00 . . . . . . . 97 ARG HB3 . 53489 1 60 . 1 . 1 8 8 ARG HG2 H 1 1.663 0.00 . . . . . . . 97 ARG HG2 . 53489 1 61 . 1 . 1 8 8 ARG HD2 H 1 3.151 0.00 . . . . . . . 97 ARG HD2 . 53489 1 62 . 1 . 1 8 8 ARG C C 13 173.689 0.04 . . . . . . . 97 ARG C . 53489 1 63 . 1 . 1 8 8 ARG CA C 13 53.739 0.06 . . . . . . . 97 ARG CA . 53489 1 64 . 1 . 1 8 8 ARG CB C 13 30.320 0.02 . . . . . . . 97 ARG CB . 53489 1 65 . 1 . 1 8 8 ARG N N 15 123.203 0.02 . . . . . . . 97 ARG N . 53489 1 66 . 1 . 1 9 9 PRO HA H 1 4.691 0.01 . . . . . . . 98 PRO HA . 53489 1 67 . 1 . 1 9 9 PRO HB2 H 1 2.328 0.00 . . . . . . . 98 PRO HB2 . 53489 1 68 . 1 . 1 9 9 PRO HB3 H 1 2.008 0.00 . . . . . . . 98 PRO HB3 . 53489 1 69 . 1 . 1 9 9 PRO HG2 H 1 1.936 0.00 . . . . . . . 98 PRO HG2 . 53489 1 70 . 1 . 1 9 9 PRO HD2 H 1 3.808 0.00 . . . . . . . 98 PRO HD2 . 53489 1 71 . 1 . 1 9 9 PRO HD3 H 1 3.583 0.00 . . . . . . . 98 PRO HD3 . 53489 1 72 . 1 . 1 9 9 PRO C C 13 174.821 0.04 . . . . . . . 98 PRO C . 53489 1 73 . 1 . 1 9 9 PRO CA C 13 61.470 0.06 . . . . . . . 98 PRO CA . 53489 1 74 . 1 . 1 9 9 PRO CB C 13 30.675 0.06 . . . . . . . 98 PRO CB . 53489 1 75 . 1 . 1 9 9 PRO CG C 13 27.081 0.01 . . . . . . . 98 PRO CG . 53489 1 76 . 1 . 1 9 9 PRO CD C 13 50.636 0.04 . . . . . . . 98 PRO CD . 53489 1 77 . 1 . 1 9 9 PRO N N 15 138.090 0.02 . . . . . . . 98 PRO N . 53489 1 78 . 1 . 1 10 10 PRO HA H 1 4.420 0.00 . . . . . . . 99 PRO HA . 53489 1 79 . 1 . 1 10 10 PRO HB2 H 1 2.308 0.00 . . . . . . . 99 PRO HB2 . 53489 1 80 . 1 . 1 10 10 PRO HB3 H 1 2.019 0.00 . . . . . . . 99 PRO HB3 . 53489 1 81 . 1 . 1 10 10 PRO HG2 H 1 1.964 0.00 . . . . . . . 99 PRO HG2 . 53489 1 82 . 1 . 1 10 10 PRO HD2 H 1 3.801 0.00 . . . . . . . 99 PRO HD2 . 53489 1 83 . 1 . 1 10 10 PRO HD3 H 1 3.629 0.00 . . . . . . . 99 PRO HD3 . 53489 1 84 . 1 . 1 10 10 PRO C C 13 177.047 0.05 . . . . . . . 99 PRO C . 53489 1 85 . 1 . 1 10 10 PRO CA C 13 63.358 0.04 . . . . . . . 99 PRO CA . 53489 1 86 . 1 . 1 10 10 PRO CB C 13 31.798 0.01 . . . . . . . 99 PRO CB . 53489 1 87 . 1 . 1 10 10 PRO CD C 13 50.391 0.02 . . . . . . . 99 PRO CD . 53489 1 88 . 1 . 1 10 10 PRO N N 15 135.030 0.02 . . . . . . . 99 PRO N . 53489 1 89 . 1 . 1 11 11 SER HA H 1 4.324 0.00 . . . . . . . 100 SER HA . 53489 1 90 . 1 . 1 11 11 SER HB3 H 1 3.848 0.00 . . . . . . . 100 SER HB3 . 53489 1 91 . 1 . 1 11 11 SER C C 13 174.512 0.05 . . . . . . . 100 SER C . 53489 1 92 . 1 . 1 11 11 SER CA C 13 58.441 0.04 . . . . . . . 100 SER CA . 53489 1 93 . 1 . 1 11 11 SER CB C 13 63.988 0.05 . . . . . . . 100 SER CB . 53489 1 94 . 1 . 1 11 11 SER N N 15 114.641 0.03 . . . . . . . 100 SER N . 53489 1 95 . 1 . 1 12 12 ALA HA H 1 4.230 0.00 . . . . . . . 101 ALA HA . 53489 1 96 . 1 . 1 12 12 ALA HB1 H 1 1.244 0.00 . . . . . . . 101 ALA HB . 53489 1 97 . 1 . 1 12 12 ALA HB2 H 1 1.244 0.00 . . . . . . . 101 ALA HB . 53489 1 98 . 1 . 1 12 12 ALA HB3 H 1 1.244 0.00 . . . . . . . 101 ALA HB . 53489 1 99 . 1 . 1 12 12 ALA C C 13 177.186 0.05 . . . . . . . 101 ALA C . 53489 1 100 . 1 . 1 12 12 ALA CA C 13 52.688 0.06 . . . . . . . 101 ALA CA . 53489 1 101 . 1 . 1 12 12 ALA CB C 13 19.137 0.03 . . . . . . . 101 ALA CB . 53489 1 102 . 1 . 1 12 12 ALA N N 15 125.114 0.02 . . . . . . . 101 ALA N . 53489 1 103 . 1 . 1 13 13 PHE HA H 1 4.473 0.00 . . . . . . . 102 PHE HA . 53489 1 104 . 1 . 1 13 13 PHE HB3 H 1 2.936 0.00 . . . . . . . 102 PHE HB3 . 53489 1 105 . 1 . 1 13 13 PHE C C 13 175.312 0.05 . . . . . . . 102 PHE C . 53489 1 106 . 1 . 1 13 13 PHE CA C 13 57.842 0.03 . . . . . . . 102 PHE CA . 53489 1 107 . 1 . 1 13 13 PHE CB C 13 39.576 0.02 . . . . . . . 102 PHE CB . 53489 1 108 . 1 . 1 13 13 PHE N N 15 118.087 0.03 . . . . . . . 102 PHE N . 53489 1 109 . 1 . 1 14 14 PHE HA H 1 4.516 0.01 . . . . . . . 103 PHE HA . 53489 1 110 . 1 . 1 14 14 PHE HB2 H 1 3.003 0.00 . . . . . . . 103 PHE HB2 . 53489 1 111 . 1 . 1 14 14 PHE HB3 H 1 2.925 0.00 . . . . . . . 103 PHE HB3 . 53489 1 112 . 1 . 1 14 14 PHE C C 13 175.032 0.05 . . . . . . . 103 PHE C . 53489 1 113 . 1 . 1 14 14 PHE CA C 13 57.586 0.03 . . . . . . . 103 PHE CA . 53489 1 114 . 1 . 1 14 14 PHE CB C 13 39.585 0.01 . . . . . . . 103 PHE CB . 53489 1 115 . 1 . 1 14 14 PHE N N 15 120.377 0.03 . . . . . . . 103 PHE N . 53489 1 116 . 1 . 1 15 15 LEU HA H 1 4.222 0.01 . . . . . . . 104 LEU HA . 53489 1 117 . 1 . 1 15 15 LEU HB3 H 1 1.397 0.00 . . . . . . . 104 LEU HB3 . 53489 1 118 . 1 . 1 15 15 LEU HD21 H 1 0.827 0.00 . . . . . . . 104 LEU HD2 . 53489 1 119 . 1 . 1 15 15 LEU HD22 H 1 0.827 0.00 . . . . . . . 104 LEU HD2 . 53489 1 120 . 1 . 1 15 15 LEU HD23 H 1 0.827 0.00 . . . . . . . 104 LEU HD2 . 53489 1 121 . 1 . 1 15 15 LEU C C 13 176.751 0.05 . . . . . . . 104 LEU C . 53489 1 122 . 1 . 1 15 15 LEU CA C 13 55.068 0.04 . . . . . . . 104 LEU CA . 53489 1 123 . 1 . 1 15 15 LEU CB C 13 42.370 0.00 . . . . . . . 104 LEU CB . 53489 1 124 . 1 . 1 15 15 LEU N N 15 122.708 0.03 . . . . . . . 104 LEU N . 53489 1 125 . 1 . 1 16 16 PHE HA H 1 4.691 0.00 . . . . . . . 105 PHE HA . 53489 1 126 . 1 . 1 16 16 PHE C C 13 174.870 0.06 . . . . . . . 105 PHE C . 53489 1 127 . 1 . 1 16 16 PHE CA C 13 57.633 0.15 . . . . . . . 105 PHE CA . 53489 1 128 . 1 . 1 16 16 PHE CB C 13 39.432 0.11 . . . . . . . 105 PHE CB . 53489 1 129 . 1 . 1 16 16 PHE N N 15 119.655 0.03 . . . . . . . 105 PHE N . 53489 1 130 . 1 . 1 17 17 OCS HA H 1 4.621 0.02 . . . . . . . 106 CYS HA . 53489 1 131 . 1 . 1 17 17 OCS HB2 H 1 2.673 0.00 . . . . . . . 106 CYS HB2 . 53489 1 132 . 1 . 1 17 17 OCS C C 13 176.987 0.02 . . . . . . . 106 CYS C . 53489 1 133 . 1 . 1 17 17 OCS CA C 13 53.578 0.00 . . . . . . . 106 CYS CA . 53489 1 134 . 1 . 1 17 17 OCS N N 15 122.311 0.05 . . . . . . . 106 CYS N . 53489 1 135 . 1 . 1 18 18 SER HA H 1 4.334 0.00 . . . . . . . 107 SER HA . 53489 1 136 . 1 . 1 18 18 SER HB2 H 1 3.963 0.01 . . . . . . . 107 SER HB2 . 53489 1 137 . 1 . 1 18 18 SER HB3 H 1 3.850 0.00 . . . . . . . 107 SER HB3 . 53489 1 138 . 1 . 1 18 18 SER C C 13 174.636 0.05 . . . . . . . 107 SER C . 53489 1 139 . 1 . 1 18 18 SER CA C 13 59.430 0.06 . . . . . . . 107 SER CA . 53489 1 140 . 1 . 1 18 18 SER CB C 13 63.832 0.00 . . . . . . . 107 SER CB . 53489 1 141 . 1 . 1 18 18 SER N N 15 120.054 0.02 . . . . . . . 107 SER N . 53489 1 142 . 1 . 1 19 19 GLU HA H 1 4.219 0.00 . . . . . . . 108 GLU HA . 53489 1 143 . 1 . 1 19 19 GLU HG3 H 1 2.142 0.00 . . . . . . . 108 GLU HG3 . 53489 1 144 . 1 . 1 19 19 GLU C C 13 176.232 0.05 . . . . . . . 108 GLU C . 53489 1 145 . 1 . 1 19 19 GLU CA C 13 56.859 0.08 . . . . . . . 108 GLU CA . 53489 1 146 . 1 . 1 19 19 GLU CB C 13 29.911 0.06 . . . . . . . 108 GLU CB . 53489 1 147 . 1 . 1 19 19 GLU N N 15 121.646 0.03 . . . . . . . 108 GLU N . 53489 1 148 . 1 . 1 20 20 TYR HA H 1 4.507 0.01 . . . . . . . 109 TYR HA . 53489 1 149 . 1 . 1 20 20 TYR HB3 H 1 2.922 0.00 . . . . . . . 109 TYR HB3 . 53489 1 150 . 1 . 1 20 20 TYR C C 13 175.111 0.06 . . . . . . . 109 TYR C . 53489 1 151 . 1 . 1 20 20 TYR CA C 13 58.174 0.05 . . . . . . . 109 TYR CA . 53489 1 152 . 1 . 1 20 20 TYR CB C 13 38.660 0.03 . . . . . . . 109 TYR CB . 53489 1 153 . 1 . 1 20 20 TYR N N 15 120.614 0.03 . . . . . . . 109 TYR N . 53489 1 154 . 1 . 1 21 21 ARG HA H 1 4.518 0.00 . . . . . . . 110 ARG HA . 53489 1 155 . 1 . 1 21 21 ARG HB3 H 1 1.718 0.00 . . . . . . . 110 ARG HB3 . 53489 1 156 . 1 . 1 21 21 ARG HG3 H 1 1.575 0.00 . . . . . . . 110 ARG HG3 . 53489 1 157 . 1 . 1 21 21 ARG HD2 H 1 3.149 0.00 . . . . . . . 110 ARG HD2 . 53489 1 158 . 1 . 1 21 21 ARG C C 13 173.303 0.05 . . . . . . . 110 ARG C . 53489 1 159 . 1 . 1 21 21 ARG CA C 13 53.407 0.08 . . . . . . . 110 ARG CA . 53489 1 160 . 1 . 1 21 21 ARG CB C 13 30.439 0.00 . . . . . . . 110 ARG CB . 53489 1 161 . 1 . 1 21 21 ARG N N 15 124.395 0.04 . . . . . . . 110 ARG N . 53489 1 162 . 1 . 1 22 22 PRO HA H 1 4.299 0.01 . . . . . . . 111 PRO HA . 53489 1 163 . 1 . 1 22 22 PRO HB2 H 1 2.250 0.00 . . . . . . . 111 PRO HB2 . 53489 1 164 . 1 . 1 22 22 PRO HB3 H 1 1.936 0.00 . . . . . . . 111 PRO HB3 . 53489 1 165 . 1 . 1 22 22 PRO HG2 H 1 1.860 0.00 . . . . . . . 111 PRO HG2 . 53489 1 166 . 1 . 1 22 22 PRO HD3 H 1 3.490 0.00 . . . . . . . 111 PRO HD3 . 53489 1 167 . 1 . 1 22 22 PRO C C 13 176.728 0.05 . . . . . . . 111 PRO C . 53489 1 168 . 1 . 1 22 22 PRO CA C 13 63.018 0.04 . . . . . . . 111 PRO CA . 53489 1 169 . 1 . 1 22 22 PRO CB C 13 32.437 0.26 . . . . . . . 111 PRO CB . 53489 1 170 . 1 . 1 22 22 PRO CG C 13 26.925 0.00 . . . . . . . 111 PRO CG . 53489 1 171 . 1 . 1 22 22 PRO CD C 13 50.438 0.04 . . . . . . . 111 PRO CD . 53489 1 172 . 1 . 1 22 22 PRO N N 15 136.115 0.02 . . . . . . . 111 PRO N . 53489 1 173 . 1 . 1 23 23 LYS HA H 1 4.279 0.00 . . . . . . . 112 LYS HA . 53489 1 174 . 1 . 1 23 23 LYS C C 13 176.593 0.05 . . . . . . . 112 LYS C . 53489 1 175 . 1 . 1 23 23 LYS CA C 13 56.346 0.05 . . . . . . . 112 LYS CA . 53489 1 176 . 1 . 1 23 23 LYS CB C 13 32.947 0.07 . . . . . . . 112 LYS CB . 53489 1 177 . 1 . 1 23 23 LYS N N 15 121.438 0.04 . . . . . . . 112 LYS N . 53489 1 178 . 1 . 1 24 24 ILE HA H 1 4.171 0.00 . . . . . . . 113 ILE HA . 53489 1 179 . 1 . 1 24 24 ILE HG21 H 1 0.872 0.00 . . . . . . . 113 ILE HG2 . 53489 1 180 . 1 . 1 24 24 ILE HG22 H 1 0.872 0.00 . . . . . . . 113 ILE HG2 . 53489 1 181 . 1 . 1 24 24 ILE HG23 H 1 0.872 0.00 . . . . . . . 113 ILE HG2 . 53489 1 182 . 1 . 1 24 24 ILE C C 13 176.053 0.05 . . . . . . . 113 ILE C . 53489 1 183 . 1 . 1 24 24 ILE CA C 13 60.819 0.01 . . . . . . . 113 ILE CA . 53489 1 184 . 1 . 1 24 24 ILE CB C 13 38.852 0.11 . . . . . . . 113 ILE CB . 53489 1 185 . 1 . 1 24 24 ILE N N 15 121.941 0.03 . . . . . . . 113 ILE N . 53489 1 186 . 1 . 1 25 25 LYS HA H 1 4.291 0.01 . . . . . . . 114 LYS HA . 53489 1 187 . 1 . 1 25 25 LYS HE2 H 1 2.992 0.00 . . . . . . . 114 LYS HE2 . 53489 1 188 . 1 . 1 25 25 LYS C C 13 176.813 0.05 . . . . . . . 114 LYS C . 53489 1 189 . 1 . 1 25 25 LYS CA C 13 56.689 0.06 . . . . . . . 114 LYS CA . 53489 1 190 . 1 . 1 25 25 LYS CB C 13 32.901 0.05 . . . . . . . 114 LYS CB . 53489 1 191 . 1 . 1 25 25 LYS N N 15 125.674 0.03 . . . . . . . 114 LYS N . 53489 1 192 . 1 . 1 26 26 GLY HA2 H 1 3.949 0.00 . . . . . . . 115 GLY HA2 . 53489 1 193 . 1 . 1 26 26 GLY C C 13 173.789 0.18 . . . . . . . 115 GLY C . 53489 1 194 . 1 . 1 26 26 GLY CA C 13 45.148 0.06 . . . . . . . 115 GLY CA . 53489 1 195 . 1 . 1 26 26 GLY N N 15 110.526 0.04 . . . . . . . 115 GLY N . 53489 1 196 . 1 . 1 27 27 GLU HA H 1 4.273 0.00 . . . . . . . 116 GLU HA . 53489 1 197 . 1 . 1 27 27 GLU HB2 H 1 1.883 0.00 . . . . . . . 116 GLU HB2 . 53489 1 198 . 1 . 1 27 27 GLU HG3 H 1 2.183 0.00 . . . . . . . 116 GLU HG3 . 53489 1 199 . 1 . 1 27 27 GLU C C 13 175.864 0.05 . . . . . . . 116 GLU C . 53489 1 200 . 1 . 1 27 27 GLU CA C 13 56.306 0.02 . . . . . . . 116 GLU CA . 53489 1 201 . 1 . 1 27 27 GLU CB C 13 30.565 0.01 . . . . . . . 116 GLU CB . 53489 1 202 . 1 . 1 27 27 GLU N N 15 120.181 0.05 . . . . . . . 116 GLU N . 53489 1 203 . 1 . 1 28 28 HIS HA H 1 4.835 0.00 . . . . . . . 117 HIS HA . 53489 1 204 . 1 . 1 28 28 HIS HB3 H 1 3.050 0.00 . . . . . . . 117 HIS HB3 . 53489 1 205 . 1 . 1 28 28 HIS C C 13 174.071 0.04 . . . . . . . 117 HIS C . 53489 1 206 . 1 . 1 28 28 HIS CA C 13 54.508 0.06 . . . . . . . 117 HIS CA . 53489 1 207 . 1 . 1 28 28 HIS CB C 13 30.942 0.04 . . . . . . . 117 HIS CB . 53489 1 208 . 1 . 1 28 28 HIS N N 15 122.170 0.04 . . . . . . . 117 HIS N . 53489 1 209 . 1 . 1 29 29 PRO HA H 1 4.425 0.00 . . . . . . . 118 PRO HA . 53489 1 210 . 1 . 1 29 29 PRO HB2 H 1 2.267 0.00 . . . . . . . 118 PRO HB2 . 53489 1 211 . 1 . 1 29 29 PRO HB3 H 1 1.961 0.00 . . . . . . . 118 PRO HB3 . 53489 1 212 . 1 . 1 29 29 PRO HD2 H 1 3.710 0.00 . . . . . . . 118 PRO HD2 . 53489 1 213 . 1 . 1 29 29 PRO HD3 H 1 3.413 0.00 . . . . . . . 118 PRO HD3 . 53489 1 214 . 1 . 1 29 29 PRO C C 13 177.560 0.05 . . . . . . . 118 PRO C . 53489 1 215 . 1 . 1 29 29 PRO CA C 13 63.801 0.01 . . . . . . . 118 PRO CA . 53489 1 216 . 1 . 1 29 29 PRO CB C 13 31.808 0.05 . . . . . . . 118 PRO CB . 53489 1 217 . 1 . 1 29 29 PRO CG C 13 27.002 0.00 . . . . . . . 118 PRO CG . 53489 1 218 . 1 . 1 29 29 PRO CD C 13 50.731 0.05 . . . . . . . 118 PRO CD . 53489 1 219 . 1 . 1 29 29 PRO N N 15 137.602 0.03 . . . . . . . 118 PRO N . 53489 1 220 . 1 . 1 30 30 GLY HA2 H 1 3.963 0.00 . . . . . . . 119 GLY HA2 . 53489 1 221 . 1 . 1 30 30 GLY C C 13 174.086 0.05 . . . . . . . 119 GLY C . 53489 1 222 . 1 . 1 30 30 GLY CA C 13 45.349 0.03 . . . . . . . 119 GLY CA . 53489 1 223 . 1 . 1 30 30 GLY N N 15 109.543 0.02 . . . . . . . 119 GLY N . 53489 1 224 . 1 . 1 31 31 LEU HA H 1 4.411 0.01 . . . . . . . 120 LEU HA . 53489 1 225 . 1 . 1 31 31 LEU HB3 H 1 1.612 0.00 . . . . . . . 120 LEU HB3 . 53489 1 226 . 1 . 1 31 31 LEU HD21 H 1 0.879 0.00 . . . . . . . 120 LEU HD2 . 53489 1 227 . 1 . 1 31 31 LEU HD22 H 1 0.879 0.00 . . . . . . . 120 LEU HD2 . 53489 1 228 . 1 . 1 31 31 LEU HD23 H 1 0.879 0.00 . . . . . . . 120 LEU HD2 . 53489 1 229 . 1 . 1 31 31 LEU C C 13 177.377 0.05 . . . . . . . 120 LEU C . 53489 1 230 . 1 . 1 31 31 LEU CA C 13 55.175 0.05 . . . . . . . 120 LEU CA . 53489 1 231 . 1 . 1 31 31 LEU CB C 13 42.834 0.04 . . . . . . . 120 LEU CB . 53489 1 232 . 1 . 1 31 31 LEU N N 15 121.375 0.02 . . . . . . . 120 LEU N . 53489 1 233 . 1 . 1 32 32 SER HA H 1 4.530 0.01 . . . . . . . 121 SER HA . 53489 1 234 . 1 . 1 32 32 SER HB2 H 1 3.887 0.00 . . . . . . . 121 SER HB2 . 53489 1 235 . 1 . 1 32 32 SER C C 13 174.691 0.05 . . . . . . . 121 SER C . 53489 1 236 . 1 . 1 32 32 SER CA C 13 57.965 0.03 . . . . . . . 121 SER CA . 53489 1 237 . 1 . 1 32 32 SER CB C 13 64.010 0.04 . . . . . . . 121 SER CB . 53489 1 238 . 1 . 1 32 32 SER N N 15 117.167 0.02 . . . . . . . 121 SER N . 53489 1 239 . 1 . 1 33 33 ILE HA H 1 4.159 0.01 . . . . . . . 122 ILE HA . 53489 1 240 . 1 . 1 33 33 ILE HB H 1 1.891 0.00 . . . . . . . 122 ILE HB . 53489 1 241 . 1 . 1 33 33 ILE HG12 H 1 1.460 0.00 . . . . . . . 122 ILE HG12 . 53489 1 242 . 1 . 1 33 33 ILE HG13 H 1 1.186 0.00 . . . . . . . 122 ILE HG13 . 53489 1 243 . 1 . 1 33 33 ILE HG21 H 1 0.911 0.00 . . . . . . . 122 ILE HG2 . 53489 1 244 . 1 . 1 33 33 ILE HG22 H 1 0.911 0.00 . . . . . . . 122 ILE HG2 . 53489 1 245 . 1 . 1 33 33 ILE HG23 H 1 0.911 0.00 . . . . . . . 122 ILE HG2 . 53489 1 246 . 1 . 1 33 33 ILE C C 13 176.797 0.04 . . . . . . . 122 ILE C . 53489 1 247 . 1 . 1 33 33 ILE CA C 13 61.805 0.04 . . . . . . . 122 ILE CA . 53489 1 248 . 1 . 1 33 33 ILE CB C 13 38.563 0.01 . . . . . . . 122 ILE CB . 53489 1 249 . 1 . 1 33 33 ILE N N 15 122.043 0.06 . . . . . . . 122 ILE N . 53489 1 250 . 1 . 1 34 34 GLY HA2 H 1 3.931 0.00 . . . . . . . 123 GLY HA2 . 53489 1 251 . 1 . 1 34 34 GLY HA3 H 1 3.926 0.00 . . . . . . . 123 GLY HA3 . 53489 1 252 . 1 . 1 34 34 GLY C C 13 174.166 0.05 . . . . . . . 123 GLY C . 53489 1 253 . 1 . 1 34 34 GLY CA C 13 45.474 0.05 . . . . . . . 123 GLY CA . 53489 1 254 . 1 . 1 34 34 GLY N N 15 111.465 0.04 . . . . . . . 123 GLY N . 53489 1 255 . 1 . 1 35 35 ASP HA H 1 4.603 0.00 . . . . . . . 124 ASP HA . 53489 1 256 . 1 . 1 35 35 ASP C C 13 176.967 0.05 . . . . . . . 124 ASP C . 53489 1 257 . 1 . 1 35 35 ASP CA C 13 54.826 0.05 . . . . . . . 124 ASP CA . 53489 1 258 . 1 . 1 35 35 ASP CB C 13 41.207 0.01 . . . . . . . 124 ASP CB . 53489 1 259 . 1 . 1 35 35 ASP N N 15 120.871 0.02 . . . . . . . 124 ASP N . 53489 1 260 . 1 . 1 36 36 VAL HA H 1 3.970 0.00 . . . . . . . 125 VAL HA . 53489 1 261 . 1 . 1 36 36 VAL HB H 1 2.122 0.00 . . . . . . . 125 VAL HB . 53489 1 262 . 1 . 1 36 36 VAL HG11 H 1 0.941 0.00 . . . . . . . 125 VAL HG1 . 53489 1 263 . 1 . 1 36 36 VAL HG12 H 1 0.941 0.00 . . . . . . . 125 VAL HG1 . 53489 1 264 . 1 . 1 36 36 VAL HG13 H 1 0.941 0.00 . . . . . . . 125 VAL HG1 . 53489 1 265 . 1 . 1 36 36 VAL C C 13 176.405 0.05 . . . . . . . 125 VAL C . 53489 1 266 . 1 . 1 36 36 VAL CA C 13 63.286 0.06 . . . . . . . 125 VAL CA . 53489 1 267 . 1 . 1 36 36 VAL CB C 13 32.277 0.15 . . . . . . . 125 VAL CB . 53489 1 268 . 1 . 1 36 36 VAL N N 15 120.078 0.03 . . . . . . . 125 VAL N . 53489 1 269 . 1 . 1 37 37 ALA HA H 1 4.240 0.01 . . . . . . . 126 ALA HA . 53489 1 270 . 1 . 1 37 37 ALA HB1 H 1 1.386 0.00 . . . . . . . 126 ALA HB . 53489 1 271 . 1 . 1 37 37 ALA HB2 H 1 1.386 0.00 . . . . . . . 126 ALA HB . 53489 1 272 . 1 . 1 37 37 ALA HB3 H 1 1.386 0.00 . . . . . . . 126 ALA HB . 53489 1 273 . 1 . 1 37 37 ALA C C 13 178.192 0.05 . . . . . . . 126 ALA C . 53489 1 274 . 1 . 1 37 37 ALA CA C 13 53.074 0.15 . . . . . . . 126 ALA CA . 53489 1 275 . 1 . 1 37 37 ALA CB C 13 18.913 0.07 . . . . . . . 126 ALA CB . 53489 1 276 . 1 . 1 37 37 ALA N N 15 125.341 0.06 . . . . . . . 126 ALA N . 53489 1 277 . 1 . 1 38 38 LYS HA H 1 4.201 0.03 . . . . . . . 127 LYS HA . 53489 1 278 . 1 . 1 38 38 LYS C C 13 176.601 0.05 . . . . . . . 127 LYS C . 53489 1 279 . 1 . 1 38 38 LYS CA C 13 56.595 0.09 . . . . . . . 127 LYS CA . 53489 1 280 . 1 . 1 38 38 LYS CB C 13 32.880 0.00 . . . . . . . 127 LYS CB . 53489 1 281 . 1 . 1 38 38 LYS N N 15 119.797 0.04 . . . . . . . 127 LYS N . 53489 1 282 . 1 . 1 39 39 LYS HA H 1 4.245 0.02 . . . . . . . 128 LYS HA . 53489 1 283 . 1 . 1 39 39 LYS HB2 H 1 1.832 0.00 . . . . . . . 128 LYS HB2 . 53489 1 284 . 1 . 1 39 39 LYS HG2 H 1 1.445 0.00 . . . . . . . 128 LYS HG2 . 53489 1 285 . 1 . 1 39 39 LYS HD2 H 1 1.681 0.00 . . . . . . . 128 LYS HD2 . 53489 1 286 . 1 . 1 39 39 LYS HE2 H 1 2.990 0.00 . . . . . . . 128 LYS HE2 . 53489 1 287 . 1 . 1 39 39 LYS C C 13 177.227 0.05 . . . . . . . 128 LYS C . 53489 1 288 . 1 . 1 39 39 LYS CA C 13 56.783 0.05 . . . . . . . 128 LYS CA . 53489 1 289 . 1 . 1 39 39 LYS CB C 13 32.609 0.00 . . . . . . . 128 LYS CB . 53489 1 290 . 1 . 1 39 39 LYS N N 15 122.059 0.06 . . . . . . . 128 LYS N . 53489 1 291 . 1 . 1 40 40 LEU HA H 1 4.289 0.01 . . . . . . . 129 LEU HA . 53489 1 292 . 1 . 1 40 40 LEU C C 13 178.040 0.05 . . . . . . . 129 LEU C . 53489 1 293 . 1 . 1 40 40 LEU CA C 13 55.766 0.08 . . . . . . . 129 LEU CA . 53489 1 294 . 1 . 1 40 40 LEU CB C 13 42.144 0.05 . . . . . . . 129 LEU CB . 53489 1 295 . 1 . 1 40 40 LEU N N 15 122.519 0.05 . . . . . . . 129 LEU N . 53489 1 296 . 1 . 1 41 41 GLY HA2 H 1 3.952 0.00 . . . . . . . 130 GLY HA . 53489 1 297 . 1 . 1 41 41 GLY HA3 H 1 3.952 0.00 . . . . . . . 130 GLY HA . 53489 1 298 . 1 . 1 41 41 GLY C C 13 174.385 0.06 . . . . . . . 130 GLY C . 53489 1 299 . 1 . 1 41 41 GLY CA C 13 45.485 0.04 . . . . . . . 130 GLY CA . 53489 1 300 . 1 . 1 41 41 GLY N N 15 108.792 0.04 . . . . . . . 130 GLY N . 53489 1 301 . 1 . 1 42 42 GLU HA H 1 4.232 0.00 . . . . . . . 131 GLU HA . 53489 1 302 . 1 . 1 42 42 GLU HG3 H 1 2.231 0.00 . . . . . . . 131 GLU HG3 . 53489 1 303 . 1 . 1 42 42 GLU C C 13 176.848 0.05 . . . . . . . 131 GLU C . 53489 1 304 . 1 . 1 42 42 GLU CA C 13 56.839 0.02 . . . . . . . 131 GLU CA . 53489 1 305 . 1 . 1 42 42 GLU CB C 13 30.197 0.04 . . . . . . . 131 GLU CB . 53489 1 306 . 1 . 1 42 42 GLU N N 15 120.107 0.03 . . . . . . . 131 GLU N . 53489 1 307 . 1 . 1 43 43 SME HA H 1 4.406 0.00 . . . . . . . 132 MET HA . 53489 1 308 . 1 . 1 43 43 SME HG2 H 1 2.753 0.00 . . . . . . . 132 MET HG2 . 53489 1 309 . 1 . 1 43 43 SME C C 13 175.132 0.05 . . . . . . . 132 MET C . 53489 1 310 . 1 . 1 43 43 SME CA C 13 55.503 0.00 . . . . . . . 132 MET CA . 53489 1 311 . 1 . 1 43 43 SME CB C 13 26.371 0.03 . . . . . . . 132 MET CB . 53489 1 312 . 1 . 1 43 43 SME N N 15 119.283 0.03 . . . . . . . 132 MET N . 53489 1 313 . 1 . 1 44 44 TRP HA H 1 4.681 0.00 . . . . . . . 133 TRP HA . 53489 1 314 . 1 . 1 44 44 TRP HB2 H 1 3.299 0.00 . . . . . . . 133 TRP HB2 . 53489 1 315 . 1 . 1 44 44 TRP C C 13 175.784 0.05 . . . . . . . 133 TRP C . 53489 1 316 . 1 . 1 44 44 TRP CA C 13 57.261 0.03 . . . . . . . 133 TRP CA . 53489 1 317 . 1 . 1 44 44 TRP CB C 13 29.411 0.04 . . . . . . . 133 TRP CB . 53489 1 318 . 1 . 1 44 44 TRP N N 15 121.376 0.02 . . . . . . . 133 TRP N . 53489 1 319 . 1 . 1 45 45 ASN HA H 1 4.636 0.00 . . . . . . . 134 ASN HA . 53489 1 320 . 1 . 1 45 45 ASN HB3 H 1 2.608 0.00 . . . . . . . 134 ASN HB3 . 53489 1 321 . 1 . 1 45 45 ASN C C 13 174.657 0.05 . . . . . . . 134 ASN C . 53489 1 322 . 1 . 1 45 45 ASN CA C 13 53.102 0.09 . . . . . . . 134 ASN CA . 53489 1 323 . 1 . 1 45 45 ASN CB C 13 38.757 0.00 . . . . . . . 134 ASN CB . 53489 1 324 . 1 . 1 45 45 ASN N N 15 120.063 0.03 . . . . . . . 134 ASN N . 53489 1 325 . 1 . 1 46 46 ASN HA H 1 4.676 0.01 . . . . . . . 135 ASN HA . 53489 1 326 . 1 . 1 46 46 ASN HB2 H 1 2.800 0.00 . . . . . . . 135 ASN HB2 . 53489 1 327 . 1 . 1 46 46 ASN HB3 H 1 2.713 0.00 . . . . . . . 135 ASN HB3 . 53489 1 328 . 1 . 1 46 46 ASN C C 13 175.439 0.05 . . . . . . . 135 ASN C . 53489 1 329 . 1 . 1 46 46 ASN CA C 13 53.277 0.05 . . . . . . . 135 ASN CA . 53489 1 330 . 1 . 1 46 46 ASN CB C 13 38.775 0.02 . . . . . . . 135 ASN CB . 53489 1 331 . 1 . 1 46 46 ASN N N 15 119.309 0.02 . . . . . . . 135 ASN N . 53489 1 332 . 1 . 1 47 47 THR HA H 1 4.311 0.00 . . . . . . . 136 THR HA . 53489 1 333 . 1 . 1 47 47 THR HG21 H 1 1.203 0.00 . . . . . . . 136 THR HG2 . 53489 1 334 . 1 . 1 47 47 THR HG22 H 1 1.203 0.00 . . . . . . . 136 THR HG2 . 53489 1 335 . 1 . 1 47 47 THR HG23 H 1 1.203 0.00 . . . . . . . 136 THR HG2 . 53489 1 336 . 1 . 1 47 47 THR C C 13 174.388 0.05 . . . . . . . 136 THR C . 53489 1 337 . 1 . 1 47 47 THR CA C 13 62.091 0.04 . . . . . . . 136 THR CA . 53489 1 338 . 1 . 1 47 47 THR CB C 13 69.817 0.02 . . . . . . . 136 THR CB . 53489 1 339 . 1 . 1 47 47 THR N N 15 114.284 0.03 . . . . . . . 136 THR N . 53489 1 340 . 1 . 1 48 48 ALA HA H 1 4.323 0.00 . . . . . . . 137 ALA HA . 53489 1 341 . 1 . 1 48 48 ALA HB1 H 1 1.387 0.00 . . . . . . . 137 ALA HB . 53489 1 342 . 1 . 1 48 48 ALA HB2 H 1 1.387 0.00 . . . . . . . 137 ALA HB . 53489 1 343 . 1 . 1 48 48 ALA HB3 H 1 1.387 0.00 . . . . . . . 137 ALA HB . 53489 1 344 . 1 . 1 48 48 ALA C C 13 177.495 0.05 . . . . . . . 137 ALA C . 53489 1 345 . 1 . 1 48 48 ALA CA C 13 52.540 0.05 . . . . . . . 137 ALA CA . 53489 1 346 . 1 . 1 48 48 ALA CB C 13 19.205 0.01 . . . . . . . 137 ALA CB . 53489 1 347 . 1 . 1 48 48 ALA N N 15 126.197 0.02 . . . . . . . 137 ALA N . 53489 1 348 . 1 . 1 49 49 ALA HA H 1 4.277 0.01 . . . . . . . 138 ALA HA . 53489 1 349 . 1 . 1 49 49 ALA HB1 H 1 1.374 0.00 . . . . . . . 138 ALA HB . 53489 1 350 . 1 . 1 49 49 ALA HB2 H 1 1.374 0.00 . . . . . . . 138 ALA HB . 53489 1 351 . 1 . 1 49 49 ALA HB3 H 1 1.374 0.00 . . . . . . . 138 ALA HB . 53489 1 352 . 1 . 1 49 49 ALA C C 13 177.609 0.05 . . . . . . . 138 ALA C . 53489 1 353 . 1 . 1 49 49 ALA CA C 13 52.610 0.07 . . . . . . . 138 ALA CA . 53489 1 354 . 1 . 1 49 49 ALA CB C 13 19.211 0.07 . . . . . . . 138 ALA CB . 53489 1 355 . 1 . 1 49 49 ALA N N 15 123.004 0.01 . . . . . . . 138 ALA N . 53489 1 356 . 1 . 1 50 50 ASP HA H 1 4.577 0.00 . . . . . . . 139 ASP HA . 53489 1 357 . 1 . 1 50 50 ASP HB3 H 1 2.673 0.00 . . . . . . . 139 ASP HB3 . 53489 1 358 . 1 . 1 50 50 ASP C C 13 176.129 0.05 . . . . . . . 139 ASP C . 53489 1 359 . 1 . 1 50 50 ASP CA C 13 54.394 0.01 . . . . . . . 139 ASP CA . 53489 1 360 . 1 . 1 50 50 ASP CB C 13 41.261 0.01 . . . . . . . 139 ASP CB . 53489 1 361 . 1 . 1 50 50 ASP N N 15 119.198 0.02 . . . . . . . 139 ASP N . 53489 1 362 . 1 . 1 51 51 ASP HA H 1 4.573 0.00 . . . . . . . 140 ASP HA . 53489 1 363 . 1 . 1 51 51 ASP HB2 H 1 2.684 0.00 . . . . . . . 140 ASP HB2 . 53489 1 364 . 1 . 1 51 51 ASP C C 13 176.392 0.05 . . . . . . . 140 ASP C . 53489 1 365 . 1 . 1 51 51 ASP CA C 13 54.403 0.03 . . . . . . . 140 ASP CA . 53489 1 366 . 1 . 1 51 51 ASP CB C 13 40.989 0.06 . . . . . . . 140 ASP CB . 53489 1 367 . 1 . 1 51 51 ASP N N 15 120.506 0.03 . . . . . . . 140 ASP N . 53489 1 368 . 1 . 1 52 52 LYS HA H 1 4.314 0.00 . . . . . . . 141 LYS HA . 53489 1 369 . 1 . 1 52 52 LYS HG3 H 1 1.424 0.00 . . . . . . . 141 LYS HG3 . 53489 1 370 . 1 . 1 52 52 LYS HE2 H 1 3.005 0.00 . . . . . . . 141 LYS HE2 . 53489 1 371 . 1 . 1 52 52 LYS C C 13 176.637 0.05 . . . . . . . 141 LYS C . 53489 1 372 . 1 . 1 52 52 LYS CA C 13 56.130 0.00 . . . . . . . 141 LYS CA . 53489 1 373 . 1 . 1 52 52 LYS CB C 13 32.601 0.07 . . . . . . . 141 LYS CB . 53489 1 374 . 1 . 1 52 52 LYS N N 15 120.419 0.02 . . . . . . . 141 LYS N . 53489 1 375 . 1 . 1 53 53 GLN HA H 1 4.542 0.00 . . . . . . . 142 GLN HA . 53489 1 376 . 1 . 1 53 53 GLN HG2 H 1 2.373 0.00 . . . . . . . 142 GLN HG2 . 53489 1 377 . 1 . 1 53 53 GLN C C 13 174.314 0.04 . . . . . . . 142 GLN C . 53489 1 378 . 1 . 1 53 53 GLN CA C 13 54.104 0.03 . . . . . . . 142 GLN CA . 53489 1 379 . 1 . 1 53 53 GLN CB C 13 28.683 0.02 . . . . . . . 142 GLN CB . 53489 1 380 . 1 . 1 53 53 GLN N N 15 121.258 0.03 . . . . . . . 142 GLN N . 53489 1 381 . 1 . 1 54 54 PRO HA H 1 4.382 0.00 . . . . . . . 143 PRO HA . 53489 1 382 . 1 . 1 54 54 PRO HB2 H 1 2.255 0.00 . . . . . . . 143 PRO HB2 . 53489 1 383 . 1 . 1 54 54 PRO HB3 H 1 1.978 0.00 . . . . . . . 143 PRO HB3 . 53489 1 384 . 1 . 1 54 54 PRO HG3 H 1 1.829 0.00 . . . . . . . 143 PRO HG3 . 53489 1 385 . 1 . 1 54 54 PRO HD2 H 1 3.739 0.00 . . . . . . . 143 PRO HD2 . 53489 1 386 . 1 . 1 54 54 PRO HD3 H 1 3.609 0.00 . . . . . . . 143 PRO HD3 . 53489 1 387 . 1 . 1 54 54 PRO C C 13 177.026 0.05 . . . . . . . 143 PRO C . 53489 1 388 . 1 . 1 54 54 PRO CA C 13 63.610 0.02 . . . . . . . 143 PRO CA . 53489 1 389 . 1 . 1 54 54 PRO CB C 13 31.728 0.03 . . . . . . . 143 PRO CB . 53489 1 390 . 1 . 1 54 54 PRO CG C 13 27.419 0.00 . . . . . . . 143 PRO CG . 53489 1 391 . 1 . 1 54 54 PRO CD C 13 50.534 0.01 . . . . . . . 143 PRO CD . 53489 1 392 . 1 . 1 54 54 PRO N N 15 136.320 0.01 . . . . . . . 143 PRO N . 53489 1 393 . 1 . 1 55 55 TYR HA H 1 4.458 0.01 . . . . . . . 144 TYR HA . 53489 1 394 . 1 . 1 55 55 TYR HB2 H 1 3.043 0.00 . . . . . . . 144 TYR HB2 . 53489 1 395 . 1 . 1 55 55 TYR C C 13 176.100 0.09 . . . . . . . 144 TYR C . 53489 1 396 . 1 . 1 55 55 TYR CA C 13 58.496 0.03 . . . . . . . 144 TYR CA . 53489 1 397 . 1 . 1 55 55 TYR CB C 13 38.364 0.06 . . . . . . . 144 TYR CB . 53489 1 398 . 1 . 1 55 55 TYR N N 15 119.655 0.03 . . . . . . . 144 TYR N . 53489 1 399 . 1 . 1 56 56 GLU HA H 1 4.189 0.01 . . . . . . . 145 GLU HA . 53489 1 400 . 1 . 1 56 56 GLU C C 13 176.952 0.06 . . . . . . . 145 GLU C . 53489 1 401 . 1 . 1 56 56 GLU CA C 13 57.054 0.05 . . . . . . . 145 GLU CA . 53489 1 402 . 1 . 1 56 56 GLU CB C 13 30.201 0.05 . . . . . . . 145 GLU CB . 53489 1 403 . 1 . 1 56 56 GLU N N 15 121.739 0.06 . . . . . . . 145 GLU N . 53489 1 404 . 1 . 1 57 57 LYS HA H 1 4.225 0.00 . . . . . . . 146 LYS HA . 53489 1 405 . 1 . 1 57 57 LYS HE2 H 1 2.997 0.00 . . . . . . . 146 LYS HE2 . 53489 1 406 . 1 . 1 57 57 LYS C C 13 177.002 0.06 . . . . . . . 146 LYS C . 53489 1 407 . 1 . 1 57 57 LYS CA C 13 56.910 0.00 . . . . . . . 146 LYS CA . 53489 1 408 . 1 . 1 57 57 LYS CB C 13 32.536 0.00 . . . . . . . 146 LYS CB . 53489 1 409 . 1 . 1 57 57 LYS N N 15 120.997 0.02 . . . . . . . 146 LYS N . 53489 1 410 . 1 . 1 58 58 LYS HA H 1 4.212 0.00 . . . . . . . 147 LYS HA . 53489 1 411 . 1 . 1 58 58 LYS HB2 H 1 1.786 0.00 . . . . . . . 147 LYS HB2 . 53489 1 412 . 1 . 1 58 58 LYS HG3 H 1 1.416 0.00 . . . . . . . 147 LYS HG3 . 53489 1 413 . 1 . 1 58 58 LYS HD2 H 1 1.681 0.00 . . . . . . . 147 LYS HD2 . 53489 1 414 . 1 . 1 58 58 LYS HE2 H 1 2.979 0.00 . . . . . . . 147 LYS HE2 . 53489 1 415 . 1 . 1 58 58 LYS C C 13 176.844 0.05 . . . . . . . 147 LYS C . 53489 1 416 . 1 . 1 58 58 LYS CA C 13 56.996 0.00 . . . . . . . 147 LYS CA . 53489 1 417 . 1 . 1 58 58 LYS CB C 13 32.826 0.00 . . . . . . . 147 LYS CB . 53489 1 418 . 1 . 1 58 58 LYS N N 15 121.867 0.03 . . . . . . . 147 LYS N . 53489 1 419 . 1 . 1 59 59 ALA HA H 1 4.216 0.01 . . . . . . . 148 ALA HA . 53489 1 420 . 1 . 1 59 59 ALA HB1 H 1 1.371 0.00 . . . . . . . 148 ALA HB . 53489 1 421 . 1 . 1 59 59 ALA HB2 H 1 1.371 0.00 . . . . . . . 148 ALA HB . 53489 1 422 . 1 . 1 59 59 ALA HB3 H 1 1.371 0.00 . . . . . . . 148 ALA HB . 53489 1 423 . 1 . 1 59 59 ALA C C 13 178.067 0.05 . . . . . . . 148 ALA C . 53489 1 424 . 1 . 1 59 59 ALA CA C 13 52.970 0.05 . . . . . . . 148 ALA CA . 53489 1 425 . 1 . 1 59 59 ALA CB C 13 18.905 0.01 . . . . . . . 148 ALA CB . 53489 1 426 . 1 . 1 59 59 ALA N N 15 124.179 0.03 . . . . . . . 148 ALA N . 53489 1 427 . 1 . 1 60 60 ALA HA H 1 4.228 0.00 . . . . . . . 149 ALA HA . 53489 1 428 . 1 . 1 60 60 ALA HB1 H 1 1.408 0.00 . . . . . . . 149 ALA HB . 53489 1 429 . 1 . 1 60 60 ALA HB2 H 1 1.408 0.00 . . . . . . . 149 ALA HB . 53489 1 430 . 1 . 1 60 60 ALA HB3 H 1 1.408 0.00 . . . . . . . 149 ALA HB . 53489 1 431 . 1 . 1 60 60 ALA C C 13 178.366 0.05 . . . . . . . 149 ALA C . 53489 1 432 . 1 . 1 60 60 ALA CA C 13 53.110 0.03 . . . . . . . 149 ALA CA . 53489 1 433 . 1 . 1 60 60 ALA CB C 13 18.981 0.06 . . . . . . . 149 ALA CB . 53489 1 434 . 1 . 1 60 60 ALA N N 15 122.736 0.03 . . . . . . . 149 ALA N . 53489 1 435 . 1 . 1 61 61 LYS HA H 1 4.241 0.02 . . . . . . . 150 LYS HA . 53489 1 436 . 1 . 1 61 61 LYS HE2 H 1 2.958 0.00 . . . . . . . 150 LYS HE2 . 53489 1 437 . 1 . 1 61 61 LYS C C 13 176.919 0.05 . . . . . . . 150 LYS C . 53489 1 438 . 1 . 1 61 61 LYS CA C 13 56.656 0.12 . . . . . . . 150 LYS CA . 53489 1 439 . 1 . 1 61 61 LYS CB C 13 32.708 0.04 . . . . . . . 150 LYS CB . 53489 1 440 . 1 . 1 61 61 LYS N N 15 119.650 0.03 . . . . . . . 150 LYS N . 53489 1 441 . 1 . 1 62 62 LEU HA H 1 4.277 0.00 . . . . . . . 151 LEU HA . 53489 1 442 . 1 . 1 62 62 LEU HB2 H 1 1.696 0.00 . . . . . . . 151 LEU HB2 . 53489 1 443 . 1 . 1 62 62 LEU HB3 H 1 1.583 0.00 . . . . . . . 151 LEU HB3 . 53489 1 444 . 1 . 1 62 62 LEU HD21 H 1 0.912 0.00 . . . . . . . 151 LEU HD2 . 53489 1 445 . 1 . 1 62 62 LEU HD22 H 1 0.912 0.00 . . . . . . . 151 LEU HD2 . 53489 1 446 . 1 . 1 62 62 LEU HD23 H 1 0.912 0.00 . . . . . . . 151 LEU HD2 . 53489 1 447 . 1 . 1 62 62 LEU C C 13 177.706 0.05 . . . . . . . 151 LEU C . 53489 1 448 . 1 . 1 62 62 LEU CA C 13 55.784 0.11 . . . . . . . 151 LEU CA . 53489 1 449 . 1 . 1 62 62 LEU CB C 13 42.267 0.06 . . . . . . . 151 LEU CB . 53489 1 450 . 1 . 1 62 62 LEU N N 15 122.498 0.08 . . . . . . . 151 LEU N . 53489 1 451 . 1 . 1 63 63 LYS HA H 1 4.229 0.00 . . . . . . . 152 LYS HA . 53489 1 452 . 1 . 1 63 63 LYS CA C 13 57.148 0.08 . . . . . . . 152 LYS CA . 53489 1 453 . 1 . 1 63 63 LYS CB C 13 32.853 0.00 . . . . . . . 152 LYS CB . 53489 1 454 . 1 . 1 63 63 LYS N N 15 121.385 0.02 . . . . . . . 152 LYS N . 53489 1 455 . 1 . 1 64 64 GLU HA H 1 4.467 0.00 . . . . . . . 153 GLU HA . 53489 1 456 . 1 . 1 64 64 GLU C C 13 176.120 0.08 . . . . . . . 153 GLU C . 53489 1 457 . 1 . 1 64 64 GLU CA C 13 58.582 0.00 . . . . . . . 153 GLU CA . 53489 1 458 . 1 . 1 65 65 LYS HA H 1 4.172 0.00 . . . . . . . 154 LYS HA . 53489 1 459 . 1 . 1 65 65 LYS HB2 H 1 1.741 0.00 . . . . . . . 154 LYS HB2 . 53489 1 460 . 1 . 1 65 65 LYS HG3 H 1 1.325 0.00 . . . . . . . 154 LYS HG3 . 53489 1 461 . 1 . 1 65 65 LYS HD2 H 1 1.642 0.00 . . . . . . . 154 LYS HD2 . 53489 1 462 . 1 . 1 65 65 LYS HE2 H 1 2.965 0.00 . . . . . . . 154 LYS HE2 . 53489 1 463 . 1 . 1 65 65 LYS C C 13 176.586 0.05 . . . . . . . 154 LYS C . 53489 1 464 . 1 . 1 65 65 LYS CA C 13 57.132 0.08 . . . . . . . 154 LYS CA . 53489 1 465 . 1 . 1 65 65 LYS CB C 13 32.791 0.00 . . . . . . . 154 LYS CB . 53489 1 466 . 1 . 1 65 65 LYS N N 15 121.469 0.09 . . . . . . . 154 LYS N . 53489 1 467 . 1 . 1 66 66 TYR HA H 1 4.552 0.00 . . . . . . . 155 TYR HA . 53489 1 468 . 1 . 1 66 66 TYR HB2 H 1 3.109 0.00 . . . . . . . 155 TYR HB2 . 53489 1 469 . 1 . 1 66 66 TYR HB3 H 1 2.995 0.00 . . . . . . . 155 TYR HB3 . 53489 1 470 . 1 . 1 66 66 TYR C C 13 176.249 0.05 . . . . . . . 155 TYR C . 53489 1 471 . 1 . 1 66 66 TYR CA C 13 58.342 0.04 . . . . . . . 155 TYR CA . 53489 1 472 . 1 . 1 66 66 TYR CB C 13 38.531 0.02 . . . . . . . 155 TYR CB . 53489 1 473 . 1 . 1 66 66 TYR N N 15 120.307 0.04 . . . . . . . 155 TYR N . 53489 1 474 . 1 . 1 67 67 GLU HA H 1 4.245 0.04 . . . . . . . 156 GLU HA . 53489 1 475 . 1 . 1 67 67 GLU HB3 H 1 1.430 0.00 . . . . . . . 156 GLU HB3 . 53489 1 476 . 1 . 1 67 67 GLU HG3 H 1 1.688 0.00 . . . . . . . 156 GLU HG3 . 53489 1 477 . 1 . 1 67 67 GLU C C 13 176.788 0.05 . . . . . . . 156 GLU C . 53489 1 478 . 1 . 1 67 67 GLU CA C 13 56.963 0.19 . . . . . . . 156 GLU CA . 53489 1 479 . 1 . 1 67 67 GLU CB C 13 30.096 0.00 . . . . . . . 156 GLU CB . 53489 1 480 . 1 . 1 67 67 GLU N N 15 121.458 0.03 . . . . . . . 156 GLU N . 53489 1 481 . 1 . 1 68 68 LYS HA H 1 4.215 0.03 . . . . . . . 157 LYS HA . 53489 1 482 . 1 . 1 68 68 LYS HE2 H 1 2.990 0.00 . . . . . . . 157 LYS HE2 . 53489 1 483 . 1 . 1 68 68 LYS C C 13 176.921 0.05 . . . . . . . 157 LYS C . 53489 1 484 . 1 . 1 68 68 LYS CA C 13 57.268 0.00 . . . . . . . 157 LYS CA . 53489 1 485 . 1 . 1 68 68 LYS CB C 13 32.820 0.00 . . . . . . . 157 LYS CB . 53489 1 486 . 1 . 1 68 68 LYS N N 15 122.403 0.08 . . . . . . . 157 LYS N . 53489 1 487 . 1 . 1 69 69 ASP HA H 1 4.592 0.00 . . . . . . . 158 ASP HA . 53489 1 488 . 1 . 1 69 69 ASP HB2 H 1 2.700 0.00 . . . . . . . 158 ASP HB2 . 53489 1 489 . 1 . 1 69 69 ASP C C 13 177.040 0.05 . . . . . . . 158 ASP C . 53489 1 490 . 1 . 1 69 69 ASP CA C 13 54.930 0.02 . . . . . . . 158 ASP CA . 53489 1 491 . 1 . 1 69 69 ASP CB C 13 40.983 0.11 . . . . . . . 158 ASP CB . 53489 1 492 . 1 . 1 69 69 ASP N N 15 121.068 0.03 . . . . . . . 158 ASP N . 53489 1 493 . 1 . 1 70 70 ILE HA H 1 4.061 0.01 . . . . . . . 159 ILE HA . 53489 1 494 . 1 . 1 70 70 ILE HB H 1 1.891 0.00 . . . . . . . 159 ILE HB . 53489 1 495 . 1 . 1 70 70 ILE HG21 H 1 0.885 0.00 . . . . . . . 159 ILE HG2 . 53489 1 496 . 1 . 1 70 70 ILE HG22 H 1 0.885 0.00 . . . . . . . 159 ILE HG2 . 53489 1 497 . 1 . 1 70 70 ILE HG23 H 1 0.885 0.00 . . . . . . . 159 ILE HG2 . 53489 1 498 . 1 . 1 70 70 ILE C C 13 176.851 0.05 . . . . . . . 159 ILE C . 53489 1 499 . 1 . 1 70 70 ILE CA C 13 62.125 0.03 . . . . . . . 159 ILE CA . 53489 1 500 . 1 . 1 70 70 ILE CB C 13 38.215 0.00 . . . . . . . 159 ILE CB . 53489 1 501 . 1 . 1 70 70 ILE N N 15 120.682 0.02 . . . . . . . 159 ILE N . 53489 1 502 . 1 . 1 71 71 ALA HA H 1 4.186 0.00 . . . . . . . 160 ALA HA . 53489 1 503 . 1 . 1 71 71 ALA HB1 H 1 1.400 0.00 . . . . . . . 160 ALA HB . 53489 1 504 . 1 . 1 71 71 ALA HB2 H 1 1.400 0.00 . . . . . . . 160 ALA HB . 53489 1 505 . 1 . 1 71 71 ALA HB3 H 1 1.400 0.00 . . . . . . . 160 ALA HB . 53489 1 506 . 1 . 1 71 71 ALA C C 13 178.534 0.04 . . . . . . . 160 ALA C . 53489 1 507 . 1 . 1 71 71 ALA CA C 13 53.481 0.02 . . . . . . . 160 ALA CA . 53489 1 508 . 1 . 1 71 71 ALA CB C 13 18.592 0.01 . . . . . . . 160 ALA CB . 53489 1 509 . 1 . 1 71 71 ALA N N 15 125.604 0.02 . . . . . . . 160 ALA N . 53489 1 510 . 1 . 1 72 72 ALA HA H 1 4.194 0.00 . . . . . . . 161 ALA HA . 53489 1 511 . 1 . 1 72 72 ALA HB1 H 1 1.346 0.00 . . . . . . . 161 ALA HB . 53489 1 512 . 1 . 1 72 72 ALA HB2 H 1 1.346 0.00 . . . . . . . 161 ALA HB . 53489 1 513 . 1 . 1 72 72 ALA HB3 H 1 1.346 0.00 . . . . . . . 161 ALA HB . 53489 1 514 . 1 . 1 72 72 ALA C C 13 178.289 0.05 . . . . . . . 161 ALA C . 53489 1 515 . 1 . 1 72 72 ALA CA C 13 53.335 0.10 . . . . . . . 161 ALA CA . 53489 1 516 . 1 . 1 72 72 ALA CB C 13 18.680 0.06 . . . . . . . 161 ALA CB . 53489 1 517 . 1 . 1 72 72 ALA N N 15 121.400 0.01 . . . . . . . 161 ALA N . 53489 1 518 . 1 . 1 73 73 TYR HA H 1 4.454 0.00 . . . . . . . 162 TYR HA . 53489 1 519 . 1 . 1 73 73 TYR HB2 H 1 3.066 0.00 . . . . . . . 162 TYR HB2 . 53489 1 520 . 1 . 1 73 73 TYR C C 13 176.411 0.05 . . . . . . . 162 TYR C . 53489 1 521 . 1 . 1 73 73 TYR CA C 13 58.608 0.06 . . . . . . . 162 TYR CA . 53489 1 522 . 1 . 1 73 73 TYR CB C 13 38.271 0.02 . . . . . . . 162 TYR CB . 53489 1 523 . 1 . 1 73 73 TYR N N 15 118.326 0.01 . . . . . . . 162 TYR N . 53489 1 524 . 1 . 1 74 74 ARG HA H 1 4.207 0.00 . . . . . . . 163 ARG HA . 53489 1 525 . 1 . 1 74 74 ARG HB3 H 1 1.770 0.00 . . . . . . . 163 ARG HB3 . 53489 1 526 . 1 . 1 74 74 ARG HG2 H 1 1.604 0.00 . . . . . . . 163 ARG HG2 . 53489 1 527 . 1 . 1 74 74 ARG HD2 H 1 3.178 0.00 . . . . . . . 163 ARG HD2 . 53489 1 528 . 1 . 1 74 74 ARG C C 13 176.066 0.04 . . . . . . . 163 ARG C . 53489 1 529 . 1 . 1 74 74 ARG CA C 13 56.409 0.05 . . . . . . . 163 ARG CA . 53489 1 530 . 1 . 1 74 74 ARG CB C 13 30.686 0.04 . . . . . . . 163 ARG CB . 53489 1 531 . 1 . 1 74 74 ARG N N 15 121.844 0.04 . . . . . . . 163 ARG N . 53489 1 532 . 1 . 1 75 75 ALA HA H 1 4.250 0.01 . . . . . . . 164 ALA HA . 53489 1 533 . 1 . 1 75 75 ALA HB1 H 1 1.410 0.00 . . . . . . . 164 ALA HB . 53489 1 534 . 1 . 1 75 75 ALA HB2 H 1 1.410 0.00 . . . . . . . 164 ALA HB . 53489 1 535 . 1 . 1 75 75 ALA HB3 H 1 1.410 0.00 . . . . . . . 164 ALA HB . 53489 1 536 . 1 . 1 75 75 ALA C C 13 177.802 0.05 . . . . . . . 164 ALA C . 53489 1 537 . 1 . 1 75 75 ALA CA C 13 52.678 0.08 . . . . . . . 164 ALA CA . 53489 1 538 . 1 . 1 75 75 ALA CB C 13 19.102 0.05 . . . . . . . 164 ALA CB . 53489 1 539 . 1 . 1 75 75 ALA N N 15 124.092 0.03 . . . . . . . 164 ALA N . 53489 1 540 . 1 . 1 76 76 LYS HA H 1 4.277 0.01 . . . . . . . 165 LYS HA . 53489 1 541 . 1 . 1 76 76 LYS HE2 H 1 2.998 0.00 . . . . . . . 165 LYS HE2 . 53489 1 542 . 1 . 1 76 76 LYS C C 13 177.125 0.05 . . . . . . . 165 LYS C . 53489 1 543 . 1 . 1 76 76 LYS CA C 13 56.458 0.16 . . . . . . . 165 LYS CA . 53489 1 544 . 1 . 1 76 76 LYS CB C 13 32.914 0.13 . . . . . . . 165 LYS CB . 53489 1 545 . 1 . 1 76 76 LYS N N 15 119.962 0.15 . . . . . . . 165 LYS N . 53489 1 546 . 1 . 1 77 77 GLY HA2 H 1 3.937 0.00 . . . . . . . 166 GLY HA . 53489 1 547 . 1 . 1 77 77 GLY HA3 H 1 3.937 0.00 . . . . . . . 166 GLY HA . 53489 1 548 . 1 . 1 77 77 GLY C C 13 173.612 0.05 . . . . . . . 166 GLY C . 53489 1 549 . 1 . 1 77 77 GLY CA C 13 45.097 0.04 . . . . . . . 166 GLY CA . 53489 1 550 . 1 . 1 77 77 GLY N N 15 109.460 0.03 . . . . . . . 166 GLY N . 53489 1 551 . 1 . 1 78 78 LYS HA H 1 4.614 0.00 . . . . . . . 167 LYS HA . 53489 1 552 . 1 . 1 78 78 LYS HE2 H 1 3.018 0.00 . . . . . . . 167 LYS HE2 . 53489 1 553 . 1 . 1 78 78 LYS C C 13 174.806 0.04 . . . . . . . 167 LYS C . 53489 1 554 . 1 . 1 78 78 LYS CA C 13 54.196 0.04 . . . . . . . 167 LYS CA . 53489 1 555 . 1 . 1 78 78 LYS CB C 13 32.345 0.26 . . . . . . . 167 LYS CB . 53489 1 556 . 1 . 1 78 78 LYS N N 15 121.710 0.02 . . . . . . . 167 LYS N . 53489 1 557 . 1 . 1 79 79 PRO HA H 1 4.418 0.00 . . . . . . . 168 PRO HA . 53489 1 558 . 1 . 1 79 79 PRO HB2 H 1 2.291 0.00 . . . . . . . 168 PRO HB2 . 53489 1 559 . 1 . 1 79 79 PRO HB3 H 1 2.013 0.00 . . . . . . . 168 PRO HB3 . 53489 1 560 . 1 . 1 79 79 PRO HG3 H 1 1.944 0.00 . . . . . . . 168 PRO HG3 . 53489 1 561 . 1 . 1 79 79 PRO HD2 H 1 3.812 0.00 . . . . . . . 168 PRO HD2 . 53489 1 562 . 1 . 1 79 79 PRO HD3 H 1 3.655 0.00 . . . . . . . 168 PRO HD3 . 53489 1 563 . 1 . 1 79 79 PRO C C 13 176.799 0.04 . . . . . . . 168 PRO C . 53489 1 564 . 1 . 1 79 79 PRO CA C 13 63.439 0.03 . . . . . . . 168 PRO CA . 53489 1 565 . 1 . 1 79 79 PRO CB C 13 31.938 0.01 . . . . . . . 168 PRO CB . 53489 1 566 . 1 . 1 79 79 PRO CG C 13 27.187 0.00 . . . . . . . 168 PRO CG . 53489 1 567 . 1 . 1 79 79 PRO CD C 13 50.645 0.01 . . . . . . . 168 PRO CD . 53489 1 568 . 1 . 1 79 79 PRO N N 15 137.097 0.01 . . . . . . . 168 PRO N . 53489 1 569 . 1 . 1 80 80 ASP HA H 1 4.540 0.00 . . . . . . . 169 ASP HA . 53489 1 570 . 1 . 1 80 80 ASP HB3 H 1 2.658 0.00 . . . . . . . 169 ASP HB3 . 53489 1 571 . 1 . 1 80 80 ASP C C 13 176.349 0.05 . . . . . . . 169 ASP C . 53489 1 572 . 1 . 1 80 80 ASP CA C 13 54.358 0.05 . . . . . . . 169 ASP CA . 53489 1 573 . 1 . 1 80 80 ASP CB C 13 41.145 0.03 . . . . . . . 169 ASP CB . 53489 1 574 . 1 . 1 80 80 ASP N N 15 120.315 0.03 . . . . . . . 169 ASP N . 53489 1 575 . 1 . 1 81 81 ALA HA H 1 4.252 0.00 . . . . . . . 170 ALA HA . 53489 1 576 . 1 . 1 81 81 ALA HB1 H 1 1.405 0.00 . . . . . . . 170 ALA HB . 53489 1 577 . 1 . 1 81 81 ALA HB2 H 1 1.405 0.00 . . . . . . . 170 ALA HB . 53489 1 578 . 1 . 1 81 81 ALA HB3 H 1 1.405 0.00 . . . . . . . 170 ALA HB . 53489 1 579 . 1 . 1 81 81 ALA C C 13 177.701 0.05 . . . . . . . 170 ALA C . 53489 1 580 . 1 . 1 81 81 ALA CA C 13 52.863 0.07 . . . . . . . 170 ALA CA . 53489 1 581 . 1 . 1 81 81 ALA CB C 13 19.199 0.03 . . . . . . . 170 ALA CB . 53489 1 582 . 1 . 1 81 81 ALA N N 15 124.610 0.02 . . . . . . . 170 ALA N . 53489 1 583 . 1 . 1 82 82 ALA HA H 1 4.278 0.01 . . . . . . . 171 ALA HA . 53489 1 584 . 1 . 1 82 82 ALA HB1 H 1 1.397 0.00 . . . . . . . 171 ALA HB . 53489 1 585 . 1 . 1 82 82 ALA HB2 H 1 1.397 0.00 . . . . . . . 171 ALA HB . 53489 1 586 . 1 . 1 82 82 ALA HB3 H 1 1.397 0.00 . . . . . . . 171 ALA HB . 53489 1 587 . 1 . 1 82 82 ALA C C 13 177.914 0.05 . . . . . . . 171 ALA C . 53489 1 588 . 1 . 1 82 82 ALA CA C 13 52.718 0.07 . . . . . . . 171 ALA CA . 53489 1 589 . 1 . 1 82 82 ALA CB C 13 19.179 0.12 . . . . . . . 171 ALA CB . 53489 1 590 . 1 . 1 82 82 ALA N N 15 122.198 0.01 . . . . . . . 171 ALA N . 53489 1 591 . 1 . 1 83 83 LYS HA H 1 4.302 0.01 . . . . . . . 172 LYS HA . 53489 1 592 . 1 . 1 83 83 LYS HE2 H 1 3.008 0.00 . . . . . . . 172 LYS HE2 . 53489 1 593 . 1 . 1 83 83 LYS C C 13 176.519 0.05 . . . . . . . 172 LYS C . 53489 1 594 . 1 . 1 83 83 LYS CA C 13 56.233 0.09 . . . . . . . 172 LYS CA . 53489 1 595 . 1 . 1 83 83 LYS CB C 13 32.929 0.04 . . . . . . . 172 LYS CB . 53489 1 596 . 1 . 1 83 83 LYS N N 15 120.009 0.14 . . . . . . . 172 LYS N . 53489 1 597 . 1 . 1 84 84 LYS HA H 1 4.309 0.01 . . . . . . . 173 LYS HA . 53489 1 598 . 1 . 1 84 84 LYS HE2 H 1 3.009 0.00 . . . . . . . 173 LYS HE2 . 53489 1 599 . 1 . 1 84 84 LYS C C 13 176.991 0.05 . . . . . . . 173 LYS C . 53489 1 600 . 1 . 1 84 84 LYS CA C 13 56.486 0.09 . . . . . . . 173 LYS CA . 53489 1 601 . 1 . 1 84 84 LYS CB C 13 33.024 0.03 . . . . . . . 173 LYS CB . 53489 1 602 . 1 . 1 84 84 LYS N N 15 122.443 0.02 . . . . . . . 173 LYS N . 53489 1 603 . 1 . 1 85 85 GLY HA2 H 1 3.977 0.00 . . . . . . . 174 GLY HA2 . 53489 1 604 . 1 . 1 85 85 GLY C C 13 173.832 0.05 . . . . . . . 174 GLY C . 53489 1 605 . 1 . 1 85 85 GLY CA C 13 45.280 0.04 . . . . . . . 174 GLY CA . 53489 1 606 . 1 . 1 85 85 GLY N N 15 110.330 0.06 . . . . . . . 174 GLY N . 53489 1 607 . 1 . 1 86 86 VAL HA H 1 4.173 0.00 . . . . . . . 175 VAL HA . 53489 1 608 . 1 . 1 86 86 VAL HB H 1 2.114 0.00 . . . . . . . 175 VAL HB . 53489 1 609 . 1 . 1 86 86 VAL HG11 H 1 0.939 0.00 . . . . . . . 175 VAL HG1 . 53489 1 610 . 1 . 1 86 86 VAL HG12 H 1 0.939 0.00 . . . . . . . 175 VAL HG1 . 53489 1 611 . 1 . 1 86 86 VAL HG13 H 1 0.939 0.00 . . . . . . . 175 VAL HG1 . 53489 1 612 . 1 . 1 86 86 VAL C C 13 175.443 0.05 . . . . . . . 175 VAL C . 53489 1 613 . 1 . 1 86 86 VAL CA C 13 62.525 0.07 . . . . . . . 175 VAL CA . 53489 1 614 . 1 . 1 86 86 VAL CB C 13 32.781 0.21 . . . . . . . 175 VAL CB . 53489 1 615 . 1 . 1 86 86 VAL N N 15 119.496 0.01 . . . . . . . 175 VAL N . 53489 1 616 . 1 . 1 87 87 VAL HA H 1 4.049 0.00 . . . . . . . 176 VAL HA . 53489 1 617 . 1 . 1 87 87 VAL CA C 13 63.663 0.07 . . . . . . . 176 VAL CA . 53489 1 618 . 1 . 1 87 87 VAL CB C 13 33.082 0.00 . . . . . . . 176 VAL CB . 53489 1 619 . 1 . 1 87 87 VAL N N 15 127.223 0.01 . . . . . . . 176 VAL N . 53489 1 stop_ save_