################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15825 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 15825 1 2 '2D 1H-13C HSQC (aliph)' . . . 15825 1 8 '3D 1H-13C-15N SIM NOESY' . . . 15825 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 5 $SPARKY . . 15825 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 2 2 ALA HA H 1 4.111 0.03 . 1 . . . . 2 Ala HA . 15825 1 2 . 1 1 2 2 ALA HB1 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1 3 . 1 1 2 2 ALA HB2 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1 4 . 1 1 2 2 ALA HB3 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1 5 . 1 1 2 2 ALA C C 13 173.776 0.3 . 1 . . . . 2 Ala C . 15825 1 6 . 1 1 2 2 ALA CA C 13 52.108 0.3 . 1 . . . . 2 Ala CA . 15825 1 7 . 1 1 2 2 ALA CB C 13 19.522 0.3 . 1 . . . . 2 Ala CB . 15825 1 8 . 1 1 3 3 SER H H 1 8.883 0.03 . 1 . . . . 3 Ser H . 15825 1 9 . 1 1 3 3 SER HA H 1 4.977 0.03 . 1 . . . . 3 Ser HA . 15825 1 10 . 1 1 3 3 SER HB2 H 1 3.938 0.03 . 2 . . . . 3 Ser HB2 . 15825 1 11 . 1 1 3 3 SER HB3 H 1 3.802 0.03 . 2 . . . . 3 Ser HB3 . 15825 1 12 . 1 1 3 3 SER C C 13 170.843 0.3 . 1 . . . . 3 Ser C . 15825 1 13 . 1 1 3 3 SER CA C 13 55.075 0.3 . 1 . . . . 3 Ser CA . 15825 1 14 . 1 1 3 3 SER CB C 13 63.708 0.3 . 1 . . . . 3 Ser CB . 15825 1 15 . 1 1 3 3 SER N N 15 117.319 0.3 . 1 . . . . 3 Ser N . 15825 1 16 . 1 1 4 4 PRO HA H 1 4.300 0.03 . 1 . . . . 4 Pro HA . 15825 1 17 . 1 1 4 4 PRO HB2 H 1 2.355 0.03 . 2 . . . . 4 Pro HB2 . 15825 1 18 . 1 1 4 4 PRO HB3 H 1 1.923 0.03 . 2 . . . . 4 Pro HB3 . 15825 1 19 . 1 1 4 4 PRO HD2 H 1 3.825 0.03 . 2 . . . . 4 Pro HD2 . 15825 1 20 . 1 1 4 4 PRO HD3 H 1 3.683 0.03 . 2 . . . . 4 Pro HD3 . 15825 1 21 . 1 1 4 4 PRO HG2 H 1 2.079 0.03 . 2 . . . . 4 Pro HG2 . 15825 1 22 . 1 1 4 4 PRO HG3 H 1 2.024 0.03 . 2 . . . . 4 Pro HG3 . 15825 1 23 . 1 1 4 4 PRO C C 13 176.787 0.3 . 1 . . . . 4 Pro C . 15825 1 24 . 1 1 4 4 PRO CA C 13 63.678 0.3 . 1 . . . . 4 Pro CA . 15825 1 25 . 1 1 4 4 PRO CB C 13 32.119 0.3 . 1 . . . . 4 Pro CB . 15825 1 26 . 1 1 4 4 PRO CD C 13 50.940 0.3 . 1 . . . . 4 Pro CD . 15825 1 27 . 1 1 4 4 PRO CG C 13 27.606 0.3 . 1 . . . . 4 Pro CG . 15825 1 28 . 1 1 5 5 THR H H 1 8.235 0.03 . 1 . . . . 5 Thr H . 15825 1 29 . 1 1 5 5 THR HA H 1 4.781 0.03 . 1 . . . . 5 Thr HA . 15825 1 30 . 1 1 5 5 THR HB H 1 3.545 0.03 . 1 . . . . 5 Thr HB . 15825 1 31 . 1 1 5 5 THR HG21 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1 32 . 1 1 5 5 THR HG22 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1 33 . 1 1 5 5 THR HG23 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1 34 . 1 1 5 5 THR C C 13 171.502 0.3 . 1 . . . . 5 Thr C . 15825 1 35 . 1 1 5 5 THR CA C 13 62.285 0.3 . 1 . . . . 5 Thr CA . 15825 1 36 . 1 1 5 5 THR CB C 13 73.666 0.3 . 1 . . . . 5 Thr CB . 15825 1 37 . 1 1 5 5 THR CG2 C 13 21.828 0.3 . 1 . . . . 5 Thr CG2 . 15825 1 38 . 1 1 5 5 THR N N 15 118.985 0.3 . 1 . . . . 5 Thr N . 15825 1 39 . 1 1 6 6 VAL H H 1 9.186 0.03 . 1 . . . . 6 Val H . 15825 1 40 . 1 1 6 6 VAL HA H 1 4.541 0.03 . 1 . . . . 6 Val HA . 15825 1 41 . 1 1 6 6 VAL HB H 1 1.719 0.03 . 1 . . . . 6 Val HB . 15825 1 42 . 1 1 6 6 VAL HG11 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1 43 . 1 1 6 6 VAL HG12 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1 44 . 1 1 6 6 VAL HG13 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1 45 . 1 1 6 6 VAL HG21 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1 46 . 1 1 6 6 VAL HG22 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1 47 . 1 1 6 6 VAL HG23 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1 48 . 1 1 6 6 VAL C C 13 174.996 0.3 . 1 . . . . 6 Val C . 15825 1 49 . 1 1 6 6 VAL CA C 13 61.194 0.3 . 1 . . . . 6 Val CA . 15825 1 50 . 1 1 6 6 VAL CB C 13 33.925 0.3 . 1 . . . . 6 Val CB . 15825 1 51 . 1 1 6 6 VAL CG1 C 13 21.616 0.3 . 1 . . . . 6 Val CG1 . 15825 1 52 . 1 1 6 6 VAL CG2 C 13 20.680 0.3 . 1 . . . . 6 Val CG2 . 15825 1 53 . 1 1 6 6 VAL N N 15 124.483 0.3 . 1 . . . . 6 Val N . 15825 1 54 . 1 1 7 7 ILE H H 1 9.302 0.03 . 1 . . . . 7 Ile H . 15825 1 55 . 1 1 7 7 ILE HA H 1 4.384 0.03 . 1 . . . . 7 Ile HA . 15825 1 56 . 1 1 7 7 ILE HB H 1 1.519 0.03 . 1 . . . . 7 Ile HB . 15825 1 57 . 1 1 7 7 ILE HD11 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1 58 . 1 1 7 7 ILE HD12 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1 59 . 1 1 7 7 ILE HD13 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1 60 . 1 1 7 7 ILE HG12 H 1 0.980 0.03 . 2 . . . . 7 Ile HG12 . 15825 1 61 . 1 1 7 7 ILE HG13 H 1 0.434 0.03 . 2 . . . . 7 Ile HG13 . 15825 1 62 . 1 1 7 7 ILE HG21 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1 63 . 1 1 7 7 ILE HG22 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1 64 . 1 1 7 7 ILE HG23 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1 65 . 1 1 7 7 ILE C C 13 174.639 0.3 . 1 . . . . 7 Ile C . 15825 1 66 . 1 1 7 7 ILE CA C 13 60.614 0.3 . 1 . . . . 7 Ile CA . 15825 1 67 . 1 1 7 7 ILE CB C 13 39.512 0.3 . 1 . . . . 7 Ile CB . 15825 1 68 . 1 1 7 7 ILE CD1 C 13 13.933 0.3 . 1 . . . . 7 Ile CD1 . 15825 1 69 . 1 1 7 7 ILE CG1 C 13 28.622 0.3 . 1 . . . . 7 Ile CG1 . 15825 1 70 . 1 1 7 7 ILE CG2 C 13 18.850 0.3 . 1 . . . . 7 Ile CG2 . 15825 1 71 . 1 1 7 7 ILE N N 15 132.744 0.3 . 1 . . . . 7 Ile N . 15825 1 72 . 1 1 8 8 THR H H 1 8.986 0.03 . 1 . . . . 8 Thr H . 15825 1 73 . 1 1 8 8 THR HA H 1 4.998 0.03 . 1 . . . . 8 Thr HA . 15825 1 74 . 1 1 8 8 THR HB H 1 3.982 0.03 . 1 . . . . 8 Thr HB . 15825 1 75 . 1 1 8 8 THR HG21 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1 76 . 1 1 8 8 THR HG22 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1 77 . 1 1 8 8 THR HG23 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1 78 . 1 1 8 8 THR C C 13 174.741 0.3 . 1 . . . . 8 Thr C . 15825 1 79 . 1 1 8 8 THR CA C 13 61.881 0.3 . 1 . . . . 8 Thr CA . 15825 1 80 . 1 1 8 8 THR CB C 13 69.006 0.3 . 1 . . . . 8 Thr CB . 15825 1 81 . 1 1 8 8 THR CG2 C 13 20.831 0.3 . 1 . . . . 8 Thr CG2 . 15825 1 82 . 1 1 8 8 THR N N 15 124.033 0.3 . 1 . . . . 8 Thr N . 15825 1 83 . 1 1 9 9 LEU H H 1 9.386 0.03 . 1 . . . . 9 Leu H . 15825 1 84 . 1 1 9 9 LEU HA H 1 4.928 0.03 . 1 . . . . 9 Leu HA . 15825 1 85 . 1 1 9 9 LEU HB2 H 1 2.239 0.03 . 2 . . . . 9 Leu HB2 . 15825 1 86 . 1 1 9 9 LEU HB3 H 1 1.883 0.03 . 2 . . . . 9 Leu HB3 . 15825 1 87 . 1 1 9 9 LEU HD11 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1 88 . 1 1 9 9 LEU HD12 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1 89 . 1 1 9 9 LEU HD13 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1 90 . 1 1 9 9 LEU HD21 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1 91 . 1 1 9 9 LEU HD22 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1 92 . 1 1 9 9 LEU HD23 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1 93 . 1 1 9 9 LEU HG H 1 1.659 0.03 . 1 . . . . 9 Leu HG . 15825 1 94 . 1 1 9 9 LEU C C 13 179.269 0.3 . 1 . . . . 9 Leu C . 15825 1 95 . 1 1 9 9 LEU CA C 13 54.369 0.3 . 1 . . . . 9 Leu CA . 15825 1 96 . 1 1 9 9 LEU CB C 13 41.835 0.3 . 1 . . . . 9 Leu CB . 15825 1 97 . 1 1 9 9 LEU CD1 C 13 25.058 0.3 . 1 . . . . 9 Leu CD1 . 15825 1 98 . 1 1 9 9 LEU CD2 C 13 23.537 0.3 . 1 . . . . 9 Leu CD2 . 15825 1 99 . 1 1 9 9 LEU CG C 13 27.672 0.3 . 1 . . . . 9 Leu CG . 15825 1 100 . 1 1 9 9 LEU N N 15 127.176 0.3 . 1 . . . . 9 Leu N . 15825 1 101 . 1 1 10 10 ASN H H 1 8.496 0.03 . 1 . . . . 10 Asn H . 15825 1 102 . 1 1 10 10 ASN HA H 1 4.387 0.03 . 1 . . . . 10 Asn HA . 15825 1 103 . 1 1 10 10 ASN HB2 H 1 2.778 0.03 . 2 . . . . 10 Asn HB2 . 15825 1 104 . 1 1 10 10 ASN HB3 H 1 2.778 0.03 . 2 . . . . 10 Asn HB3 . 15825 1 105 . 1 1 10 10 ASN C C 13 176.053 0.3 . 1 . . . . 10 Asn C . 15825 1 106 . 1 1 10 10 ASN CA C 13 56.005 0.3 . 1 . . . . 10 Asn CA . 15825 1 107 . 1 1 10 10 ASN CB C 13 37.777 0.3 . 1 . . . . 10 Asn CB . 15825 1 108 . 1 1 10 10 ASN N N 15 119.252 0.3 . 1 . . . . 10 Asn N . 15825 1 109 . 1 1 11 11 ASP H H 1 7.755 0.03 . 1 . . . . 11 Asp H . 15825 1 110 . 1 1 11 11 ASP HA H 1 4.532 0.03 . 1 . . . . 11 Asp HA . 15825 1 111 . 1 1 11 11 ASP HB2 H 1 3.114 0.03 . 2 . . . . 11 Asp HB2 . 15825 1 112 . 1 1 11 11 ASP HB3 H 1 2.584 0.03 . 2 . . . . 11 Asp HB3 . 15825 1 113 . 1 1 11 11 ASP C C 13 177.308 0.3 . 1 . . . . 11 Asp C . 15825 1 114 . 1 1 11 11 ASP CA C 13 53.443 0.3 . 1 . . . . 11 Asp CA . 15825 1 115 . 1 1 11 11 ASP CB C 13 40.107 0.3 . 1 . . . . 11 Asp CB . 15825 1 116 . 1 1 11 11 ASP N N 15 116.530 0.3 . 1 . . . . 11 Asp N . 15825 1 117 . 1 1 12 12 GLY H H 1 8.141 0.03 . 1 . . . . 12 Gly H . 15825 1 118 . 1 1 12 12 GLY HA2 H 1 4.380 0.03 . 2 . . . . 12 Gly HA2 . 15825 1 119 . 1 1 12 12 GLY HA3 H 1 3.475 0.03 . 2 . . . . 12 Gly HA3 . 15825 1 120 . 1 1 12 12 GLY C C 13 174.776 0.3 . 1 . . . . 12 Gly C . 15825 1 121 . 1 1 12 12 GLY CA C 13 44.832 0.3 . 1 . . . . 12 Gly CA . 15825 1 122 . 1 1 12 12 GLY N N 15 108.655 0.3 . 1 . . . . 12 Gly N . 15825 1 123 . 1 1 13 13 ARG H H 1 8.091 0.03 . 1 . . . . 13 Arg H . 15825 1 124 . 1 1 13 13 ARG HA H 1 4.153 0.03 . 1 . . . . 13 Arg HA . 15825 1 125 . 1 1 13 13 ARG HB2 H 1 2.033 0.03 . 2 . . . . 13 Arg HB2 . 15825 1 126 . 1 1 13 13 ARG HB3 H 1 1.699 0.03 . 2 . . . . 13 Arg HB3 . 15825 1 127 . 1 1 13 13 ARG HD2 H 1 3.284 0.03 . 2 . . . . 13 Arg HD2 . 15825 1 128 . 1 1 13 13 ARG HD3 H 1 3.200 0.03 . 2 . . . . 13 Arg HD3 . 15825 1 129 . 1 1 13 13 ARG HE H 1 8.117 0.03 . 1 . . . . 13 Arg HE . 15825 1 130 . 1 1 13 13 ARG HG2 H 1 1.698 0.03 . 2 . . . . 13 Arg HG2 . 15825 1 131 . 1 1 13 13 ARG HG3 H 1 1.628 0.03 . 2 . . . . 13 Arg HG3 . 15825 1 132 . 1 1 13 13 ARG C C 13 174.920 0.3 . 1 . . . . 13 Arg C . 15825 1 133 . 1 1 13 13 ARG CA C 13 57.830 0.3 . 1 . . . . 13 Arg CA . 15825 1 134 . 1 1 13 13 ARG CB C 13 31.559 0.3 . 1 . . . . 13 Arg CB . 15825 1 135 . 1 1 13 13 ARG CD C 13 43.919 0.3 . 1 . . . . 13 Arg CD . 15825 1 136 . 1 1 13 13 ARG CG C 13 28.061 0.3 . 1 . . . . 13 Arg CG . 15825 1 137 . 1 1 13 13 ARG N N 15 121.874 0.3 . 1 . . . . 13 Arg N . 15825 1 138 . 1 1 13 13 ARG NE N 15 85.893 0.3 . 1 . . . . 13 Arg NE . 15825 1 139 . 1 1 14 14 GLU H H 1 8.326 0.03 . 1 . . . . 14 Glu H . 15825 1 140 . 1 1 14 14 GLU HA H 1 5.127 0.03 . 1 . . . . 14 Glu HA . 15825 1 141 . 1 1 14 14 GLU HB2 H 1 1.860 0.03 . 2 . . . . 14 Glu HB2 . 15825 1 142 . 1 1 14 14 GLU HB3 H 1 1.627 0.03 . 2 . . . . 14 Glu HB3 . 15825 1 143 . 1 1 14 14 GLU HG2 H 1 2.289 0.03 . 2 . . . . 14 Glu HG2 . 15825 1 144 . 1 1 14 14 GLU HG3 H 1 2.123 0.03 . 2 . . . . 14 Glu HG3 . 15825 1 145 . 1 1 14 14 GLU C C 13 176.421 0.3 . 1 . . . . 14 Glu C . 15825 1 146 . 1 1 14 14 GLU CA C 13 54.727 0.3 . 1 . . . . 14 Glu CA . 15825 1 147 . 1 1 14 14 GLU CB C 13 32.258 0.3 . 1 . . . . 14 Glu CB . 15825 1 148 . 1 1 14 14 GLU CG C 13 36.452 0.3 . 1 . . . . 14 Glu CG . 15825 1 149 . 1 1 14 14 GLU N N 15 120.103 0.3 . 1 . . . . 14 Glu N . 15825 1 150 . 1 1 15 15 ILE H H 1 9.354 0.03 . 1 . . . . 15 Ile H . 15825 1 151 . 1 1 15 15 ILE HA H 1 4.319 0.03 . 1 . . . . 15 Ile HA . 15825 1 152 . 1 1 15 15 ILE HB H 1 1.611 0.03 . 1 . . . . 15 Ile HB . 15825 1 153 . 1 1 15 15 ILE HD11 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1 154 . 1 1 15 15 ILE HD12 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1 155 . 1 1 15 15 ILE HD13 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1 156 . 1 1 15 15 ILE HG12 H 1 1.411 0.03 . 2 . . . . 15 Ile HG12 . 15825 1 157 . 1 1 15 15 ILE HG13 H 1 1.127 0.03 . 2 . . . . 15 Ile HG13 . 15825 1 158 . 1 1 15 15 ILE HG21 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1 159 . 1 1 15 15 ILE HG22 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1 160 . 1 1 15 15 ILE HG23 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1 161 . 1 1 15 15 ILE C C 13 174.628 0.3 . 1 . . . . 15 Ile C . 15825 1 162 . 1 1 15 15 ILE CA C 13 60.110 0.3 . 1 . . . . 15 Ile CA . 15825 1 163 . 1 1 15 15 ILE CB C 13 41.251 0.3 . 1 . . . . 15 Ile CB . 15825 1 164 . 1 1 15 15 ILE CD1 C 13 13.773 0.3 . 1 . . . . 15 Ile CD1 . 15825 1 165 . 1 1 15 15 ILE CG1 C 13 27.315 0.3 . 1 . . . . 15 Ile CG1 . 15825 1 166 . 1 1 15 15 ILE CG2 C 13 18.070 0.3 . 1 . . . . 15 Ile CG2 . 15825 1 167 . 1 1 15 15 ILE N N 15 124.932 0.3 . 1 . . . . 15 Ile N . 15825 1 168 . 1 1 16 16 GLN H H 1 8.729 0.03 . 1 . . . . 16 Gln H . 15825 1 169 . 1 1 16 16 GLN HA H 1 4.737 0.03 . 1 . . . . 16 Gln HA . 15825 1 170 . 1 1 16 16 GLN HB2 H 1 2.007 0.03 . 2 . . . . 16 Gln HB2 . 15825 1 171 . 1 1 16 16 GLN HB3 H 1 2.007 0.03 . 2 . . . . 16 Gln HB3 . 15825 1 172 . 1 1 16 16 GLN HE21 H 1 7.428 0.03 . 1 . . . . 16 Gln HE21 . 15825 1 173 . 1 1 16 16 GLN HE22 H 1 6.637 0.03 . 1 . . . . 16 Gln HE22 . 15825 1 174 . 1 1 16 16 GLN HG2 H 1 2.342 0.03 . 2 . . . . 16 Gln HG2 . 15825 1 175 . 1 1 16 16 GLN HG3 H 1 2.169 0.03 . 2 . . . . 16 Gln HG3 . 15825 1 176 . 1 1 16 16 GLN C C 13 174.166 0.3 . 1 . . . . 16 Gln C . 15825 1 177 . 1 1 16 16 GLN CA C 13 55.571 0.3 . 1 . . . . 16 Gln CA . 15825 1 178 . 1 1 16 16 GLN CB C 13 29.610 0.3 . 1 . . . . 16 Gln CB . 15825 1 179 . 1 1 16 16 GLN CG C 13 34.263 0.3 . 1 . . . . 16 Gln CG . 15825 1 180 . 1 1 16 16 GLN N N 15 125.751 0.3 . 1 . . . . 16 Gln N . 15825 1 181 . 1 1 16 16 GLN NE2 N 15 110.980 0.3 . 1 . . . . 16 Gln NE2 . 15825 1 182 . 1 1 17 17 ALA H H 1 9.064 0.03 . 1 . . . . 17 Ala H . 15825 1 183 . 1 1 17 17 ALA HA H 1 5.251 0.03 . 1 . . . . 17 Ala HA . 15825 1 184 . 1 1 17 17 ALA HB1 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1 185 . 1 1 17 17 ALA HB2 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1 186 . 1 1 17 17 ALA HB3 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1 187 . 1 1 17 17 ALA C C 13 178.445 0.3 . 1 . . . . 17 Ala C . 15825 1 188 . 1 1 17 17 ALA CA C 13 49.625 0.3 . 1 . . . . 17 Ala CA . 15825 1 189 . 1 1 17 17 ALA CB C 13 22.445 0.3 . 1 . . . . 17 Ala CB . 15825 1 190 . 1 1 17 17 ALA N N 15 126.101 0.3 . 1 . . . . 17 Ala N . 15825 1 191 . 1 1 18 18 VAL H H 1 8.502 0.03 . 1 . . . . 18 Val H . 15825 1 192 . 1 1 18 18 VAL HA H 1 3.849 0.03 . 1 . . . . 18 Val HA . 15825 1 193 . 1 1 18 18 VAL HB H 1 2.115 0.03 . 1 . . . . 18 Val HB . 15825 1 194 . 1 1 18 18 VAL HG11 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1 195 . 1 1 18 18 VAL HG12 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1 196 . 1 1 18 18 VAL HG13 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1 197 . 1 1 18 18 VAL HG21 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1 198 . 1 1 18 18 VAL HG22 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1 199 . 1 1 18 18 VAL HG23 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1 200 . 1 1 18 18 VAL C C 13 173.813 0.3 . 1 . . . . 18 Val C . 15825 1 201 . 1 1 18 18 VAL CA C 13 63.651 0.3 . 1 . . . . 18 Val CA . 15825 1 202 . 1 1 18 18 VAL CB C 13 32.334 0.3 . 1 . . . . 18 Val CB . 15825 1 203 . 1 1 18 18 VAL CG1 C 13 21.778 0.3 . 1 . . . . 18 Val CG1 . 15825 1 204 . 1 1 18 18 VAL CG2 C 13 20.715 0.3 . 1 . . . . 18 Val CG2 . 15825 1 205 . 1 1 18 18 VAL N N 15 117.021 0.3 . 1 . . . . 18 Val N . 15825 1 206 . 1 1 19 19 ASP H H 1 7.582 0.03 . 1 . . . . 19 Asp H . 15825 1 207 . 1 1 19 19 ASP HA H 1 4.915 0.03 . 1 . . . . 19 Asp HA . 15825 1 208 . 1 1 19 19 ASP HB2 H 1 2.603 0.03 . 2 . . . . 19 Asp HB2 . 15825 1 209 . 1 1 19 19 ASP HB3 H 1 2.602 0.03 . 2 . . . . 19 Asp HB3 . 15825 1 210 . 1 1 19 19 ASP C C 13 175.063 0.3 . 1 . . . . 19 Asp C . 15825 1 211 . 1 1 19 19 ASP CA C 13 51.322 0.3 . 1 . . . . 19 Asp CA . 15825 1 212 . 1 1 19 19 ASP CB C 13 44.315 0.3 . 1 . . . . 19 Asp CB . 15825 1 213 . 1 1 19 19 ASP N N 15 115.232 0.3 . 1 . . . . 19 Asp N . 15825 1 214 . 1 1 20 20 THR H H 1 8.179 0.03 . 1 . . . . 20 Thr H . 15825 1 215 . 1 1 20 20 THR HA H 1 4.136 0.03 . 1 . . . . 20 Thr HA . 15825 1 216 . 1 1 20 20 THR HB H 1 3.838 0.03 . 1 . . . . 20 Thr HB . 15825 1 217 . 1 1 20 20 THR HG21 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1 218 . 1 1 20 20 THR HG22 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1 219 . 1 1 20 20 THR HG23 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1 220 . 1 1 20 20 THR C C 13 173.362 0.3 . 1 . . . . 20 Thr C . 15825 1 221 . 1 1 20 20 THR CA C 13 61.581 0.3 . 1 . . . . 20 Thr CA . 15825 1 222 . 1 1 20 20 THR CB C 13 70.435 0.3 . 1 . . . . 20 Thr CB . 15825 1 223 . 1 1 20 20 THR CG2 C 13 21.528 0.3 . 1 . . . . 20 Thr CG2 . 15825 1 224 . 1 1 20 20 THR N N 15 117.799 0.3 . 1 . . . . 20 Thr N . 15825 1 225 . 1 1 21 21 PRO HA H 1 4.673 0.03 . 1 . . . . 21 Pro HA . 15825 1 226 . 1 1 21 21 PRO HB2 H 1 2.156 0.03 . 2 . . . . 21 Pro HB2 . 15825 1 227 . 1 1 21 21 PRO HB3 H 1 2.039 0.03 . 2 . . . . 21 Pro HB3 . 15825 1 228 . 1 1 21 21 PRO HD2 H 1 3.861 0.03 . 2 . . . . 21 Pro HD2 . 15825 1 229 . 1 1 21 21 PRO HD3 H 1 3.614 0.03 . 2 . . . . 21 Pro HD3 . 15825 1 230 . 1 1 21 21 PRO HG2 H 1 1.701 0.03 . 2 . . . . 21 Pro HG2 . 15825 1 231 . 1 1 21 21 PRO HG3 H 1 1.374 0.03 . 2 . . . . 21 Pro HG3 . 15825 1 232 . 1 1 21 21 PRO C C 13 175.646 0.3 . 1 . . . . 21 Pro C . 15825 1 233 . 1 1 21 21 PRO CA C 13 63.083 0.3 . 1 . . . . 21 Pro CA . 15825 1 234 . 1 1 21 21 PRO CB C 13 33.147 0.3 . 1 . . . . 21 Pro CB . 15825 1 235 . 1 1 21 21 PRO CD C 13 51.233 0.3 . 1 . . . . 21 Pro CD . 15825 1 236 . 1 1 21 21 PRO CG C 13 27.484 0.3 . 1 . . . . 21 Pro CG . 15825 1 237 . 1 1 22 22 LYS H H 1 8.884 0.03 . 1 . . . . 22 Lys H . 15825 1 238 . 1 1 22 22 LYS HA H 1 4.635 0.03 . 1 . . . . 22 Lys HA . 15825 1 239 . 1 1 22 22 LYS HB2 H 1 1.947 0.03 . 2 . . . . 22 Lys HB2 . 15825 1 240 . 1 1 22 22 LYS HB3 H 1 1.947 0.03 . 2 . . . . 22 Lys HB3 . 15825 1 241 . 1 1 22 22 LYS HD2 H 1 1.736 0.03 . 2 . . . . 22 Lys HD2 . 15825 1 242 . 1 1 22 22 LYS HD3 H 1 1.739 0.03 . 2 . . . . 22 Lys HD3 . 15825 1 243 . 1 1 22 22 LYS HE2 H 1 3.017 0.03 . 2 . . . . 22 Lys HE2 . 15825 1 244 . 1 1 22 22 LYS HE3 H 1 3.010 0.03 . 2 . . . . 22 Lys HE3 . 15825 1 245 . 1 1 22 22 LYS HG2 H 1 1.581 0.03 . 2 . . . . 22 Lys HG2 . 15825 1 246 . 1 1 22 22 LYS HG3 H 1 1.422 0.03 . 2 . . . . 22 Lys HG3 . 15825 1 247 . 1 1 22 22 LYS C C 13 175.708 0.3 . 1 . . . . 22 Lys C . 15825 1 248 . 1 1 22 22 LYS CA C 13 55.350 0.3 . 1 . . . . 22 Lys CA . 15825 1 249 . 1 1 22 22 LYS CB C 13 34.013 0.3 . 1 . . . . 22 Lys CB . 15825 1 250 . 1 1 22 22 LYS CD C 13 29.065 0.3 . 1 . . . . 22 Lys CD . 15825 1 251 . 1 1 22 22 LYS CE C 13 42.229 0.3 . 1 . . . . 22 Lys CE . 15825 1 252 . 1 1 22 22 LYS CG C 13 25.052 0.3 . 1 . . . . 22 Lys CG . 15825 1 253 . 1 1 22 22 LYS N N 15 123.676 0.3 . 1 . . . . 22 Lys N . 15825 1 254 . 1 1 23 23 TYR H H 1 9.050 0.03 . 1 . . . . 23 Tyr H . 15825 1 255 . 1 1 23 23 TYR HA H 1 4.838 0.03 . 1 . . . . 23 Tyr HA . 15825 1 256 . 1 1 23 23 TYR HB2 H 1 2.766 0.03 . 2 . . . . 23 Tyr HB2 . 15825 1 257 . 1 1 23 23 TYR HB3 H 1 2.768 0.03 . 2 . . . . 23 Tyr HB3 . 15825 1 258 . 1 1 23 23 TYR HD1 H 1 6.194 0.03 . 3 . . . . 23 Tyr QD . 15825 1 259 . 1 1 23 23 TYR HD2 H 1 6.194 0.03 . 3 . . . . 23 Tyr QD . 15825 1 260 . 1 1 23 23 TYR HE1 H 1 6.333 0.03 . 3 . . . . 23 Tyr QE . 15825 1 261 . 1 1 23 23 TYR HE2 H 1 6.333 0.03 . 3 . . . . 23 Tyr QE . 15825 1 262 . 1 1 23 23 TYR C C 13 173.727 0.3 . 1 . . . . 23 Tyr C . 15825 1 263 . 1 1 23 23 TYR CA C 13 56.847 0.3 . 1 . . . . 23 Tyr CA . 15825 1 264 . 1 1 23 23 TYR CB C 13 39.859 0.3 . 1 . . . . 23 Tyr CB . 15825 1 265 . 1 1 23 23 TYR CD1 C 13 132.504 0.3 . 3 . . . . 23 Tyr CD1 . 15825 1 266 . 1 1 23 23 TYR CD2 C 13 132.504 0.3 . 3 . . . . 23 Tyr CD2 . 15825 1 267 . 1 1 23 23 TYR CE1 C 13 117.718 0.3 . 3 . . . . 23 Tyr CE1 . 15825 1 268 . 1 1 23 23 TYR CE2 C 13 117.718 0.3 . 3 . . . . 23 Tyr CE2 . 15825 1 269 . 1 1 23 23 TYR N N 15 126.691 0.3 . 1 . . . . 23 Tyr N . 15825 1 270 . 1 1 24 24 ASP H H 1 7.902 0.03 . 1 . . . . 24 Asp H . 15825 1 271 . 1 1 24 24 ASP HA H 1 4.575 0.03 . 1 . . . . 24 Asp HA . 15825 1 272 . 1 1 24 24 ASP HB2 H 1 2.686 0.03 . 2 . . . . 24 Asp HB2 . 15825 1 273 . 1 1 24 24 ASP HB3 H 1 2.345 0.03 . 2 . . . . 24 Asp HB3 . 15825 1 274 . 1 1 24 24 ASP C C 13 174.406 0.3 . 1 . . . . 24 Asp C . 15825 1 275 . 1 1 24 24 ASP CA C 13 52.207 0.3 . 1 . . . . 24 Asp CA . 15825 1 276 . 1 1 24 24 ASP CB C 13 41.893 0.3 . 1 . . . . 24 Asp CB . 15825 1 277 . 1 1 24 24 ASP N N 15 129.213 0.3 . 1 . . . . 24 Asp N . 15825 1 278 . 1 1 25 25 GLU H H 1 8.482 0.03 . 1 . . . . 25 Glu H . 15825 1 279 . 1 1 25 25 GLU HA H 1 3.583 0.03 . 1 . . . . 25 Glu HA . 15825 1 280 . 1 1 25 25 GLU HB2 H 1 1.979 0.03 . 2 . . . . 25 Glu HB2 . 15825 1 281 . 1 1 25 25 GLU HB3 H 1 1.980 0.03 . 2 . . . . 25 Glu HB3 . 15825 1 282 . 1 1 25 25 GLU HG2 H 1 2.295 0.03 . 2 . . . . 25 Glu HG2 . 15825 1 283 . 1 1 25 25 GLU HG3 H 1 2.294 0.03 . 2 . . . . 25 Glu HG3 . 15825 1 284 . 1 1 25 25 GLU C C 13 177.944 0.3 . 1 . . . . 25 Glu C . 15825 1 285 . 1 1 25 25 GLU CA C 13 58.374 0.3 . 1 . . . . 25 Glu CA . 15825 1 286 . 1 1 25 25 GLU CB C 13 29.627 0.3 . 1 . . . . 25 Glu CB . 15825 1 287 . 1 1 25 25 GLU CG C 13 35.866 0.3 . 1 . . . . 25 Glu CG . 15825 1 288 . 1 1 25 25 GLU N N 15 125.379 0.3 . 1 . . . . 25 Glu N . 15825 1 289 . 1 1 26 26 GLU H H 1 8.151 0.03 . 1 . . . . 26 Glu H . 15825 1 290 . 1 1 26 26 GLU HA H 1 4.027 0.03 . 1 . . . . 26 Glu HA . 15825 1 291 . 1 1 26 26 GLU HB2 H 1 2.057 0.03 . 2 . . . . 26 Glu HB2 . 15825 1 292 . 1 1 26 26 GLU HB3 H 1 2.055 0.03 . 2 . . . . 26 Glu HB3 . 15825 1 293 . 1 1 26 26 GLU HG2 H 1 2.276 0.03 . 2 . . . . 26 Glu HG2 . 15825 1 294 . 1 1 26 26 GLU HG3 H 1 2.204 0.03 . 2 . . . . 26 Glu HG3 . 15825 1 295 . 1 1 26 26 GLU C C 13 177.719 0.3 . 1 . . . . 26 Glu C . 15825 1 296 . 1 1 26 26 GLU CA C 13 58.921 0.3 . 1 . . . . 26 Glu CA . 15825 1 297 . 1 1 26 26 GLU CB C 13 29.514 0.3 . 1 . . . . 26 Glu CB . 15825 1 298 . 1 1 26 26 GLU CG C 13 36.383 0.3 . 1 . . . . 26 Glu CG . 15825 1 299 . 1 1 26 26 GLU N N 15 117.871 0.3 . 1 . . . . 26 Glu N . 15825 1 300 . 1 1 27 27 SER H H 1 7.649 0.03 . 1 . . . . 27 Ser H . 15825 1 301 . 1 1 27 27 SER HA H 1 4.489 0.03 . 1 . . . . 27 Ser HA . 15825 1 302 . 1 1 27 27 SER HB2 H 1 3.922 0.03 . 2 . . . . 27 Ser HB2 . 15825 1 303 . 1 1 27 27 SER HB3 H 1 3.834 0.03 . 2 . . . . 27 Ser HB3 . 15825 1 304 . 1 1 27 27 SER C C 13 175.829 0.3 . 1 . . . . 27 Ser C . 15825 1 305 . 1 1 27 27 SER CA C 13 58.799 0.3 . 1 . . . . 27 Ser CA . 15825 1 306 . 1 1 27 27 SER CB C 13 64.652 0.3 . 1 . . . . 27 Ser CB . 15825 1 307 . 1 1 27 27 SER N N 15 111.517 0.3 . 1 . . . . 27 Ser N . 15825 1 308 . 1 1 28 28 GLY H H 1 8.267 0.03 . 1 . . . . 28 Gly H . 15825 1 309 . 1 1 28 28 GLY HA2 H 1 4.068 0.03 . 2 . . . . 28 Gly HA2 . 15825 1 310 . 1 1 28 28 GLY HA3 H 1 3.836 0.03 . 2 . . . . 28 Gly HA3 . 15825 1 311 . 1 1 28 28 GLY C C 13 173.436 0.3 . 1 . . . . 28 Gly C . 15825 1 312 . 1 1 28 28 GLY CA C 13 46.072 0.3 . 1 . . . . 28 Gly CA . 15825 1 313 . 1 1 28 28 GLY N N 15 111.550 0.3 . 1 . . . . 28 Gly N . 15825 1 314 . 1 1 29 29 PHE H H 1 7.348 0.03 . 1 . . . . 29 Phe H . 15825 1 315 . 1 1 29 29 PHE HA H 1 5.032 0.03 . 1 . . . . 29 Phe HA . 15825 1 316 . 1 1 29 29 PHE HB2 H 1 2.915 0.03 . 2 . . . . 29 Phe HB2 . 15825 1 317 . 1 1 29 29 PHE HB3 H 1 2.760 0.03 . 2 . . . . 29 Phe HB3 . 15825 1 318 . 1 1 29 29 PHE HD1 H 1 7.006 0.03 . 3 . . . . 29 Phe QD . 15825 1 319 . 1 1 29 29 PHE HD2 H 1 7.006 0.03 . 3 . . . . 29 Phe QD . 15825 1 320 . 1 1 29 29 PHE HE1 H 1 7.387 0.03 . 3 . . . . 29 Phe QE . 15825 1 321 . 1 1 29 29 PHE HE2 H 1 7.387 0.03 . 3 . . . . 29 Phe QE . 15825 1 322 . 1 1 29 29 PHE HZ H 1 7.406 0.03 . 1 . . . . 29 Phe HZ . 15825 1 323 . 1 1 29 29 PHE C C 13 175.722 0.3 . 1 . . . . 29 Phe C . 15825 1 324 . 1 1 29 29 PHE CA C 13 57.530 0.3 . 1 . . . . 29 Phe CA . 15825 1 325 . 1 1 29 29 PHE CB C 13 41.490 0.3 . 1 . . . . 29 Phe CB . 15825 1 326 . 1 1 29 29 PHE CD1 C 13 131.658 0.3 . 3 . . . . 29 Phe CD1 . 15825 1 327 . 1 1 29 29 PHE CD2 C 13 131.658 0.3 . 3 . . . . 29 Phe CD2 . 15825 1 328 . 1 1 29 29 PHE CE1 C 13 131.658 0.3 . 3 . . . . 29 Phe CE1 . 15825 1 329 . 1 1 29 29 PHE CE2 C 13 131.658 0.3 . 3 . . . . 29 Phe CE2 . 15825 1 330 . 1 1 29 29 PHE CZ C 13 130.159 0.3 . 1 . . . . 29 Phe CZ . 15825 1 331 . 1 1 29 29 PHE N N 15 116.258 0.3 . 1 . . . . 29 Phe N . 15825 1 332 . 1 1 30 30 TYR H H 1 9.291 0.03 . 1 . . . . 30 Tyr H . 15825 1 333 . 1 1 30 30 TYR HA H 1 5.521 0.03 . 1 . . . . 30 Tyr HA . 15825 1 334 . 1 1 30 30 TYR HB2 H 1 3.085 0.03 . 2 . . . . 30 Tyr HB2 . 15825 1 335 . 1 1 30 30 TYR HB3 H 1 2.882 0.03 . 2 . . . . 30 Tyr HB3 . 15825 1 336 . 1 1 30 30 TYR HD1 H 1 6.963 0.03 . 3 . . . . 30 Tyr QD . 15825 1 337 . 1 1 30 30 TYR HD2 H 1 6.963 0.03 . 3 . . . . 30 Tyr QD . 15825 1 338 . 1 1 30 30 TYR HE1 H 1 6.617 0.03 . 3 . . . . 30 Tyr QE . 15825 1 339 . 1 1 30 30 TYR HE2 H 1 6.617 0.03 . 3 . . . . 30 Tyr QE . 15825 1 340 . 1 1 30 30 TYR C C 13 175.986 0.3 . 1 . . . . 30 Tyr C . 15825 1 341 . 1 1 30 30 TYR CA C 13 57.938 0.3 . 1 . . . . 30 Tyr CA . 15825 1 342 . 1 1 30 30 TYR CB C 13 41.180 0.3 . 1 . . . . 30 Tyr CB . 15825 1 343 . 1 1 30 30 TYR CD1 C 13 132.326 0.3 . 3 . . . . 30 Tyr CD1 . 15825 1 344 . 1 1 30 30 TYR CD2 C 13 132.326 0.3 . 3 . . . . 30 Tyr CD2 . 15825 1 345 . 1 1 30 30 TYR CE1 C 13 118.021 0.3 . 3 . . . . 30 Tyr CE1 . 15825 1 346 . 1 1 30 30 TYR CE2 C 13 118.021 0.3 . 3 . . . . 30 Tyr CE2 . 15825 1 347 . 1 1 30 30 TYR N N 15 118.874 0.3 . 1 . . . . 30 Tyr N . 15825 1 348 . 1 1 31 31 GLU H H 1 9.262 0.03 . 1 . . . . 31 Glu H . 15825 1 349 . 1 1 31 31 GLU HA H 1 5.433 0.03 . 1 . . . . 31 Glu HA . 15825 1 350 . 1 1 31 31 GLU HB2 H 1 2.035 0.03 . 2 . . . . 31 Glu HB2 . 15825 1 351 . 1 1 31 31 GLU HB3 H 1 2.029 0.03 . 2 . . . . 31 Glu HB3 . 15825 1 352 . 1 1 31 31 GLU HG2 H 1 2.207 0.03 . 2 . . . . 31 Glu HG2 . 15825 1 353 . 1 1 31 31 GLU HG3 H 1 2.094 0.03 . 2 . . . . 31 Glu HG3 . 15825 1 354 . 1 1 31 31 GLU C C 13 175.710 0.3 . 1 . . . . 31 Glu C . 15825 1 355 . 1 1 31 31 GLU CA C 13 55.198 0.3 . 1 . . . . 31 Glu CA . 15825 1 356 . 1 1 31 31 GLU CB C 13 33.296 0.3 . 1 . . . . 31 Glu CB . 15825 1 357 . 1 1 31 31 GLU CG C 13 36.846 0.3 . 1 . . . . 31 Glu CG . 15825 1 358 . 1 1 31 31 GLU N N 15 121.240 0.3 . 1 . . . . 31 Glu N . 15825 1 359 . 1 1 32 32 PHE H H 1 8.490 0.03 . 1 . . . . 32 Phe H . 15825 1 360 . 1 1 32 32 PHE HA H 1 5.114 0.03 . 1 . . . . 32 Phe HA . 15825 1 361 . 1 1 32 32 PHE HB2 H 1 3.132 0.03 . 2 . . . . 32 Phe HB2 . 15825 1 362 . 1 1 32 32 PHE HB3 H 1 3.056 0.03 . 2 . . . . 32 Phe HB3 . 15825 1 363 . 1 1 32 32 PHE HD1 H 1 6.789 0.03 . 3 . . . . 32 Phe QD . 15825 1 364 . 1 1 32 32 PHE HD2 H 1 6.789 0.03 . 3 . . . . 32 Phe QD . 15825 1 365 . 1 1 32 32 PHE HE1 H 1 6.996 0.03 . 3 . . . . 32 Phe QE . 15825 1 366 . 1 1 32 32 PHE HE2 H 1 6.996 0.03 . 3 . . . . 32 Phe QE . 15825 1 367 . 1 1 32 32 PHE HZ H 1 7.030 0.03 . 1 . . . . 32 Phe HZ . 15825 1 368 . 1 1 32 32 PHE C C 13 171.353 0.3 . 1 . . . . 32 Phe C . 15825 1 369 . 1 1 32 32 PHE CA C 13 55.938 0.3 . 1 . . . . 32 Phe CA . 15825 1 370 . 1 1 32 32 PHE CB C 13 40.003 0.3 . 1 . . . . 32 Phe CB . 15825 1 371 . 1 1 32 32 PHE CD1 C 13 132.332 0.3 . 3 . . . . 32 Phe CD1 . 15825 1 372 . 1 1 32 32 PHE CD2 C 13 132.332 0.3 . 3 . . . . 32 Phe CD2 . 15825 1 373 . 1 1 32 32 PHE CE1 C 13 130.384 0.3 . 3 . . . . 32 Phe CE1 . 15825 1 374 . 1 1 32 32 PHE CE2 C 13 130.384 0.3 . 3 . . . . 32 Phe CE2 . 15825 1 375 . 1 1 32 32 PHE CZ C 13 129.365 0.3 . 1 . . . . 32 Phe CZ . 15825 1 376 . 1 1 32 32 PHE N N 15 120.828 0.3 . 1 . . . . 32 Phe N . 15825 1 377 . 1 1 33 33 LYS H H 1 9.212 0.03 . 1 . . . . 33 Lys H . 15825 1 378 . 1 1 33 33 LYS HA H 1 4.929 0.03 . 1 . . . . 33 Lys HA . 15825 1 379 . 1 1 33 33 LYS HB2 H 1 1.734 0.03 . 2 . . . . 33 Lys HB2 . 15825 1 380 . 1 1 33 33 LYS HB3 H 1 1.692 0.03 . 2 . . . . 33 Lys HB3 . 15825 1 381 . 1 1 33 33 LYS HD2 H 1 1.660 0.03 . 2 . . . . 33 Lys HD2 . 15825 1 382 . 1 1 33 33 LYS HD3 H 1 1.660 0.03 . 2 . . . . 33 Lys HD3 . 15825 1 383 . 1 1 33 33 LYS HE2 H 1 2.993 0.03 . 2 . . . . 33 Lys HE2 . 15825 1 384 . 1 1 33 33 LYS HE3 H 1 2.988 0.03 . 2 . . . . 33 Lys HE3 . 15825 1 385 . 1 1 33 33 LYS HG2 H 1 1.423 0.03 . 2 . . . . 33 Lys HG2 . 15825 1 386 . 1 1 33 33 LYS HG3 H 1 1.287 0.03 . 2 . . . . 33 Lys HG3 . 15825 1 387 . 1 1 33 33 LYS C C 13 176.283 0.3 . 1 . . . . 33 Lys C . 15825 1 388 . 1 1 33 33 LYS CA C 13 55.075 0.3 . 1 . . . . 33 Lys CA . 15825 1 389 . 1 1 33 33 LYS CB C 13 34.656 0.3 . 1 . . . . 33 Lys CB . 15825 1 390 . 1 1 33 33 LYS CD C 13 29.685 0.3 . 1 . . . . 33 Lys CD . 15825 1 391 . 1 1 33 33 LYS CE C 13 42.129 0.3 . 1 . . . . 33 Lys CE . 15825 1 392 . 1 1 33 33 LYS CG C 13 24.917 0.3 . 1 . . . . 33 Lys CG . 15825 1 393 . 1 1 33 33 LYS N N 15 120.896 0.3 . 1 . . . . 33 Lys N . 15825 1 394 . 1 1 34 34 GLN H H 1 8.363 0.03 . 1 . . . . 34 Gln H . 15825 1 395 . 1 1 34 34 GLN HA H 1 4.937 0.03 . 1 . . . . 34 Gln HA . 15825 1 396 . 1 1 34 34 GLN HB2 H 1 2.597 0.03 . 2 . . . . 34 Gln HB2 . 15825 1 397 . 1 1 34 34 GLN HB3 H 1 2.370 0.03 . 2 . . . . 34 Gln HB3 . 15825 1 398 . 1 1 34 34 GLN HE21 H 1 8.031 0.03 . 1 . . . . 34 Gln HE21 . 15825 1 399 . 1 1 34 34 GLN HE22 H 1 6.989 0.03 . 1 . . . . 34 Gln HE22 . 15825 1 400 . 1 1 34 34 GLN HG2 H 1 2.608 0.03 . 2 . . . . 34 Gln HG2 . 15825 1 401 . 1 1 34 34 GLN HG3 H 1 2.483 0.03 . 2 . . . . 34 Gln HG3 . 15825 1 402 . 1 1 34 34 GLN C C 13 177.661 0.3 . 1 . . . . 34 Gln C . 15825 1 403 . 1 1 34 34 GLN CA C 13 55.865 0.3 . 1 . . . . 34 Gln CA . 15825 1 404 . 1 1 34 34 GLN CB C 13 31.163 0.3 . 1 . . . . 34 Gln CB . 15825 1 405 . 1 1 34 34 GLN CG C 13 36.083 0.3 . 1 . . . . 34 Gln CG . 15825 1 406 . 1 1 34 34 GLN N N 15 122.546 0.3 . 1 . . . . 34 Gln N . 15825 1 407 . 1 1 34 34 GLN NE2 N 15 113.434 0.3 . 1 . . . . 34 Gln NE2 . 15825 1 408 . 1 1 35 35 LEU H H 1 8.633 0.03 . 1 . . . . 35 Leu H . 15825 1 409 . 1 1 35 35 LEU HA H 1 3.927 0.03 . 1 . . . . 35 Leu HA . 15825 1 410 . 1 1 35 35 LEU HB2 H 1 1.636 0.03 . 2 . . . . 35 Leu HB2 . 15825 1 411 . 1 1 35 35 LEU HB3 H 1 1.641 0.03 . 2 . . . . 35 Leu HB3 . 15825 1 412 . 1 1 35 35 LEU HD11 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1 413 . 1 1 35 35 LEU HD12 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1 414 . 1 1 35 35 LEU HD13 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1 415 . 1 1 35 35 LEU HD21 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1 416 . 1 1 35 35 LEU HD22 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1 417 . 1 1 35 35 LEU HD23 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1 418 . 1 1 35 35 LEU HG H 1 1.658 0.03 . 1 . . . . 35 Leu HG . 15825 1 419 . 1 1 35 35 LEU C C 13 177.698 0.3 . 1 . . . . 35 Leu C . 15825 1 420 . 1 1 35 35 LEU CA C 13 58.170 0.3 . 1 . . . . 35 Leu CA . 15825 1 421 . 1 1 35 35 LEU CB C 13 41.611 0.3 . 1 . . . . 35 Leu CB . 15825 1 422 . 1 1 35 35 LEU CD1 C 13 24.714 0.3 . 1 . . . . 35 Leu CD1 . 15825 1 423 . 1 1 35 35 LEU CD2 C 13 23.349 0.3 . 1 . . . . 35 Leu CD2 . 15825 1 424 . 1 1 35 35 LEU CG C 13 27.393 0.3 . 1 . . . . 35 Leu CG . 15825 1 425 . 1 1 35 35 LEU N N 15 121.448 0.3 . 1 . . . . 35 Leu N . 15825 1 426 . 1 1 36 36 ASP H H 1 7.933 0.03 . 1 . . . . 36 Asp H . 15825 1 427 . 1 1 36 36 ASP HA H 1 4.453 0.03 . 1 . . . . 36 Asp HA . 15825 1 428 . 1 1 36 36 ASP HB2 H 1 3.030 0.03 . 2 . . . . 36 Asp HB2 . 15825 1 429 . 1 1 36 36 ASP HB3 H 1 2.618 0.03 . 2 . . . . 36 Asp HB3 . 15825 1 430 . 1 1 36 36 ASP C C 13 177.078 0.3 . 1 . . . . 36 Asp C . 15825 1 431 . 1 1 36 36 ASP CA C 13 53.656 0.3 . 1 . . . . 36 Asp CA . 15825 1 432 . 1 1 36 36 ASP CB C 13 39.787 0.3 . 1 . . . . 36 Asp CB . 15825 1 433 . 1 1 36 36 ASP N N 15 115.628 0.3 . 1 . . . . 36 Asp N . 15825 1 434 . 1 1 37 37 GLY H H 1 8.206 0.03 . 1 . . . . 37 Gly H . 15825 1 435 . 1 1 37 37 GLY HA2 H 1 4.304 0.03 . 2 . . . . 37 Gly HA2 . 15825 1 436 . 1 1 37 37 GLY HA3 H 1 3.642 0.03 . 2 . . . . 37 Gly HA3 . 15825 1 437 . 1 1 37 37 GLY C C 13 174.294 0.3 . 1 . . . . 37 Gly C . 15825 1 438 . 1 1 37 37 GLY CA C 13 45.024 0.3 . 1 . . . . 37 Gly CA . 15825 1 439 . 1 1 37 37 GLY N N 15 108.414 0.3 . 1 . . . . 37 Gly N . 15825 1 440 . 1 1 38 38 LYS H H 1 7.814 0.03 . 1 . . . . 38 Lys H . 15825 1 441 . 1 1 38 38 LYS HA H 1 4.201 0.03 . 1 . . . . 38 Lys HA . 15825 1 442 . 1 1 38 38 LYS HB2 H 1 1.780 0.03 . 2 . . . . 38 Lys HB2 . 15825 1 443 . 1 1 38 38 LYS HB3 H 1 1.683 0.03 . 2 . . . . 38 Lys HB3 . 15825 1 444 . 1 1 38 38 LYS HD2 H 1 1.627 0.03 . 2 . . . . 38 Lys HD2 . 15825 1 445 . 1 1 38 38 LYS HD3 H 1 1.627 0.03 . 2 . . . . 38 Lys HD3 . 15825 1 446 . 1 1 38 38 LYS HE2 H 1 2.974 0.03 . 2 . . . . 38 Lys HE2 . 15825 1 447 . 1 1 38 38 LYS HE3 H 1 2.974 0.03 . 2 . . . . 38 Lys HE3 . 15825 1 448 . 1 1 38 38 LYS HG2 H 1 1.371 0.03 . 2 . . . . 38 Lys HG2 . 15825 1 449 . 1 1 38 38 LYS HG3 H 1 1.268 0.03 . 2 . . . . 38 Lys HG3 . 15825 1 450 . 1 1 38 38 LYS C C 13 176.748 0.3 . 1 . . . . 38 Lys C . 15825 1 451 . 1 1 38 38 LYS CA C 13 57.080 0.3 . 1 . . . . 38 Lys CA . 15825 1 452 . 1 1 38 38 LYS CB C 13 33.029 0.3 . 1 . . . . 38 Lys CB . 15825 1 453 . 1 1 38 38 LYS CD C 13 29.156 0.3 . 1 . . . . 38 Lys CD . 15825 1 454 . 1 1 38 38 LYS CE C 13 42.089 0.3 . 1 . . . . 38 Lys CE . 15825 1 455 . 1 1 38 38 LYS CG C 13 25.044 0.3 . 1 . . . . 38 Lys CG . 15825 1 456 . 1 1 38 38 LYS N N 15 121.023 0.3 . 1 . . . . 38 Lys N . 15825 1 457 . 1 1 39 39 GLN H H 1 8.744 0.03 . 1 . . . . 39 Gln H . 15825 1 458 . 1 1 39 39 GLN HA H 1 4.591 0.03 . 1 . . . . 39 Gln HA . 15825 1 459 . 1 1 39 39 GLN HB2 H 1 2.001 0.03 . 2 . . . . 39 Gln HB2 . 15825 1 460 . 1 1 39 39 GLN HB3 H 1 1.945 0.03 . 2 . . . . 39 Gln HB3 . 15825 1 461 . 1 1 39 39 GLN HE21 H 1 7.523 0.03 . 1 . . . . 39 Gln HE21 . 15825 1 462 . 1 1 39 39 GLN HE22 H 1 6.743 0.03 . 1 . . . . 39 Gln HE22 . 15825 1 463 . 1 1 39 39 GLN HG2 H 1 2.251 0.03 . 2 . . . . 39 Gln HG2 . 15825 1 464 . 1 1 39 39 GLN HG3 H 1 2.252 0.03 . 2 . . . . 39 Gln HG3 . 15825 1 465 . 1 1 39 39 GLN C C 13 175.617 0.3 . 1 . . . . 39 Gln C . 15825 1 466 . 1 1 39 39 GLN CA C 13 55.952 0.3 . 1 . . . . 39 Gln CA . 15825 1 467 . 1 1 39 39 GLN CB C 13 29.146 0.3 . 1 . . . . 39 Gln CB . 15825 1 468 . 1 1 39 39 GLN CD C 13 179.703 0.3 . 1 . . . . 39 Gln CD . 15825 1 469 . 1 1 39 39 GLN CG C 13 33.642 0.3 . 1 . . . . 39 Gln CG . 15825 1 470 . 1 1 39 39 GLN N N 15 126.544 0.3 . 1 . . . . 39 Gln N . 15825 1 471 . 1 1 39 39 GLN NE2 N 15 111.188 0.3 . 1 . . . . 39 Gln NE2 . 15825 1 472 . 1 1 40 40 THR H H 1 8.890 0.03 . 1 . . . . 40 Thr H . 15825 1 473 . 1 1 40 40 THR HA H 1 4.381 0.03 . 1 . . . . 40 Thr HA . 15825 1 474 . 1 1 40 40 THR HB H 1 2.928 0.03 . 1 . . . . 40 Thr HB . 15825 1 475 . 1 1 40 40 THR HG21 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1 476 . 1 1 40 40 THR HG22 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1 477 . 1 1 40 40 THR HG23 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1 478 . 1 1 40 40 THR C C 13 170.957 0.3 . 1 . . . . 40 Thr C . 15825 1 479 . 1 1 40 40 THR CA C 13 61.370 0.3 . 1 . . . . 40 Thr CA . 15825 1 480 . 1 1 40 40 THR CB C 13 70.837 0.3 . 1 . . . . 40 Thr CB . 15825 1 481 . 1 1 40 40 THR CG2 C 13 21.369 0.3 . 1 . . . . 40 Thr CG2 . 15825 1 482 . 1 1 40 40 THR N N 15 123.710 0.3 . 1 . . . . 40 Thr N . 15825 1 483 . 1 1 41 41 ARG H H 1 8.172 0.03 . 1 . . . . 41 Arg H . 15825 1 484 . 1 1 41 41 ARG HA H 1 5.674 0.03 . 1 . . . . 41 Arg HA . 15825 1 485 . 1 1 41 41 ARG HB2 H 1 1.642 0.03 . 2 . . . . 41 Arg HB2 . 15825 1 486 . 1 1 41 41 ARG HB3 H 1 1.573 0.03 . 2 . . . . 41 Arg HB3 . 15825 1 487 . 1 1 41 41 ARG HD2 H 1 2.775 0.03 . 2 . . . . 41 Arg HD2 . 15825 1 488 . 1 1 41 41 ARG HD3 H 1 2.617 0.03 . 2 . . . . 41 Arg HD3 . 15825 1 489 . 1 1 41 41 ARG HE H 1 7.000 0.03 . 1 . . . . 41 Arg HE . 15825 1 490 . 1 1 41 41 ARG HG2 H 1 1.421 0.03 . 2 . . . . 41 Arg HG2 . 15825 1 491 . 1 1 41 41 ARG HG3 H 1 1.421 0.03 . 2 . . . . 41 Arg HG3 . 15825 1 492 . 1 1 41 41 ARG C C 13 175.662 0.3 . 1 . . . . 41 Arg C . 15825 1 493 . 1 1 41 41 ARG CA C 13 54.324 0.3 . 1 . . . . 41 Arg CA . 15825 1 494 . 1 1 41 41 ARG CB C 13 33.458 0.3 . 1 . . . . 41 Arg CB . 15825 1 495 . 1 1 41 41 ARG CD C 13 43.503 0.3 . 1 . . . . 41 Arg CD . 15825 1 496 . 1 1 41 41 ARG CG C 13 27.229 0.3 . 1 . . . . 41 Arg CG . 15825 1 497 . 1 1 41 41 ARG N N 15 122.900 0.3 . 1 . . . . 41 Arg N . 15825 1 498 . 1 1 41 41 ARG NE N 15 83.823 0.3 . 1 . . . . 41 Arg NE . 15825 1 499 . 1 1 42 42 ILE H H 1 9.139 0.03 . 1 . . . . 42 Ile H . 15825 1 500 . 1 1 42 42 ILE HA H 1 4.732 0.03 . 1 . . . . 42 Ile HA . 15825 1 501 . 1 1 42 42 ILE HB H 1 1.745 0.03 . 1 . . . . 42 Ile HB . 15825 1 502 . 1 1 42 42 ILE HD11 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1 503 . 1 1 42 42 ILE HD12 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1 504 . 1 1 42 42 ILE HD13 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1 505 . 1 1 42 42 ILE HG12 H 1 1.627 0.03 . 2 . . . . 42 Ile HG12 . 15825 1 506 . 1 1 42 42 ILE HG13 H 1 1.342 0.03 . 2 . . . . 42 Ile HG13 . 15825 1 507 . 1 1 42 42 ILE HG21 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1 508 . 1 1 42 42 ILE HG22 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1 509 . 1 1 42 42 ILE HG23 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1 510 . 1 1 42 42 ILE C C 13 173.797 0.3 . 1 . . . . 42 Ile C . 15825 1 511 . 1 1 42 42 ILE CA C 13 59.489 0.3 . 1 . . . . 42 Ile CA . 15825 1 512 . 1 1 42 42 ILE CB C 13 42.786 0.3 . 1 . . . . 42 Ile CB . 15825 1 513 . 1 1 42 42 ILE CD1 C 13 13.976 0.3 . 1 . . . . 42 Ile CD1 . 15825 1 514 . 1 1 42 42 ILE CG1 C 13 28.150 0.3 . 1 . . . . 42 Ile CG1 . 15825 1 515 . 1 1 42 42 ILE CG2 C 13 17.527 0.3 . 1 . . . . 42 Ile CG2 . 15825 1 516 . 1 1 42 42 ILE N N 15 121.974 0.3 . 1 . . . . 42 Ile N . 15825 1 517 . 1 1 43 43 ASN H H 1 9.114 0.03 . 1 . . . . 43 Asn H . 15825 1 518 . 1 1 43 43 ASN HA H 1 3.933 0.03 . 1 . . . . 43 Asn HA . 15825 1 519 . 1 1 43 43 ASN HB2 H 1 2.680 0.03 . 2 . . . . 43 Asn HB2 . 15825 1 520 . 1 1 43 43 ASN HB3 H 1 2.304 0.03 . 2 . . . . 43 Asn HB3 . 15825 1 521 . 1 1 43 43 ASN HD21 H 1 6.880 0.03 . 1 . . . . 43 Asn HD21 . 15825 1 522 . 1 1 43 43 ASN HD22 H 1 6.220 0.03 . 1 . . . . 43 Asn HD22 . 15825 1 523 . 1 1 43 43 ASN C C 13 176.105 0.3 . 1 . . . . 43 Asn C . 15825 1 524 . 1 1 43 43 ASN CA C 13 54.763 0.3 . 1 . . . . 43 Asn CA . 15825 1 525 . 1 1 43 43 ASN CB C 13 39.516 0.3 . 1 . . . . 43 Asn CB . 15825 1 526 . 1 1 43 43 ASN N N 15 128.781 0.3 . 1 . . . . 43 Asn N . 15825 1 527 . 1 1 43 43 ASN ND2 N 15 112.155 0.3 . 1 . . . . 43 Asn ND2 . 15825 1 528 . 1 1 44 44 LYS H H 1 8.742 0.03 . 1 . . . . 44 Lys H . 15825 1 529 . 1 1 44 44 LYS HA H 1 4.144 0.03 . 1 . . . . 44 Lys HA . 15825 1 530 . 1 1 44 44 LYS HB2 H 1 1.920 0.03 . 2 . . . . 44 Lys HB2 . 15825 1 531 . 1 1 44 44 LYS HB3 H 1 1.919 0.03 . 2 . . . . 44 Lys HB3 . 15825 1 532 . 1 1 44 44 LYS HD2 H 1 1.657 0.03 . 2 . . . . 44 Lys HD2 . 15825 1 533 . 1 1 44 44 LYS HD3 H 1 1.538 0.03 . 2 . . . . 44 Lys HD3 . 15825 1 534 . 1 1 44 44 LYS HE2 H 1 2.945 0.03 . 2 . . . . 44 Lys HE2 . 15825 1 535 . 1 1 44 44 LYS HE3 H 1 2.945 0.03 . 2 . . . . 44 Lys HE3 . 15825 1 536 . 1 1 44 44 LYS HG2 H 1 1.621 0.03 . 2 . . . . 44 Lys HG2 . 15825 1 537 . 1 1 44 44 LYS HG3 H 1 1.381 0.03 . 2 . . . . 44 Lys HG3 . 15825 1 538 . 1 1 44 44 LYS C C 13 177.396 0.3 . 1 . . . . 44 Lys C . 15825 1 539 . 1 1 44 44 LYS CA C 13 59.759 0.3 . 1 . . . . 44 Lys CA . 15825 1 540 . 1 1 44 44 LYS CB C 13 32.120 0.3 . 1 . . . . 44 Lys CB . 15825 1 541 . 1 1 44 44 LYS CD C 13 29.456 0.3 . 1 . . . . 44 Lys CD . 15825 1 542 . 1 1 44 44 LYS CE C 13 42.280 0.3 . 1 . . . . 44 Lys CE . 15825 1 543 . 1 1 44 44 LYS CG C 13 24.085 0.3 . 1 . . . . 44 Lys CG . 15825 1 544 . 1 1 44 44 LYS N N 15 125.110 0.3 . 1 . . . . 44 Lys N . 15825 1 545 . 1 1 45 45 ASP H H 1 8.951 0.03 . 1 . . . . 45 Asp H . 15825 1 546 . 1 1 45 45 ASP HA H 1 4.439 0.03 . 1 . . . . 45 Asp HA . 15825 1 547 . 1 1 45 45 ASP HB2 H 1 2.685 0.03 . 2 . . . . 45 Asp HB2 . 15825 1 548 . 1 1 45 45 ASP HB3 H 1 2.671 0.03 . 2 . . . . 45 Asp HB3 . 15825 1 549 . 1 1 45 45 ASP C C 13 177.091 0.3 . 1 . . . . 45 Asp C . 15825 1 550 . 1 1 45 45 ASP CA C 13 55.927 0.3 . 1 . . . . 45 Asp CA . 15825 1 551 . 1 1 45 45 ASP CB C 13 39.729 0.3 . 1 . . . . 45 Asp CB . 15825 1 552 . 1 1 45 45 ASP N N 15 120.134 0.3 . 1 . . . . 45 Asp N . 15825 1 553 . 1 1 46 46 GLN H H 1 7.965 0.03 . 1 . . . . 46 Gln H . 15825 1 554 . 1 1 46 46 GLN HA H 1 4.489 0.03 . 1 . . . . 46 Gln HA . 15825 1 555 . 1 1 46 46 GLN HB2 H 1 2.466 0.03 . 2 . . . . 46 Gln HB2 . 15825 1 556 . 1 1 46 46 GLN HB3 H 1 2.091 0.03 . 2 . . . . 46 Gln HB3 . 15825 1 557 . 1 1 46 46 GLN HE21 H 1 7.673 0.03 . 1 . . . . 46 Gln HE21 . 15825 1 558 . 1 1 46 46 GLN HE22 H 1 6.886 0.03 . 1 . . . . 46 Gln HE22 . 15825 1 559 . 1 1 46 46 GLN HG2 H 1 2.520 0.03 . 2 . . . . 46 Gln HG2 . 15825 1 560 . 1 1 46 46 GLN HG3 H 1 2.456 0.03 . 2 . . . . 46 Gln HG3 . 15825 1 561 . 1 1 46 46 GLN C C 13 175.868 0.3 . 1 . . . . 46 Gln C . 15825 1 562 . 1 1 46 46 GLN CA C 13 55.725 0.3 . 1 . . . . 46 Gln CA . 15825 1 563 . 1 1 46 46 GLN CB C 13 30.764 0.3 . 1 . . . . 46 Gln CB . 15825 1 564 . 1 1 46 46 GLN CG C 13 34.520 0.3 . 1 . . . . 46 Gln CG . 15825 1 565 . 1 1 46 46 GLN N N 15 115.991 0.3 . 1 . . . . 46 Gln N . 15825 1 566 . 1 1 46 46 GLN NE2 N 15 113.663 0.3 . 1 . . . . 46 Gln NE2 . 15825 1 567 . 1 1 47 47 VAL H H 1 7.604 0.03 . 1 . . . . 47 Val H . 15825 1 568 . 1 1 47 47 VAL HA H 1 3.677 0.03 . 1 . . . . 47 Val HA . 15825 1 569 . 1 1 47 47 VAL HB H 1 2.092 0.03 . 1 . . . . 47 Val HB . 15825 1 570 . 1 1 47 47 VAL HG11 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1 571 . 1 1 47 47 VAL HG12 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1 572 . 1 1 47 47 VAL HG13 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1 573 . 1 1 47 47 VAL HG21 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1 574 . 1 1 47 47 VAL HG22 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1 575 . 1 1 47 47 VAL HG23 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1 576 . 1 1 47 47 VAL C C 13 174.117 0.3 . 1 . . . . 47 Val C . 15825 1 577 . 1 1 47 47 VAL CA C 13 63.921 0.3 . 1 . . . . 47 Val CA . 15825 1 578 . 1 1 47 47 VAL CB C 13 33.690 0.3 . 1 . . . . 47 Val CB . 15825 1 579 . 1 1 47 47 VAL CG1 C 13 22.209 0.3 . 1 . . . . 47 Val CG1 . 15825 1 580 . 1 1 47 47 VAL CG2 C 13 21.762 0.3 . 1 . . . . 47 Val CG2 . 15825 1 581 . 1 1 47 47 VAL N N 15 121.177 0.3 . 1 . . . . 47 Val N . 15825 1 582 . 1 1 48 48 ARG H H 1 9.330 0.03 . 1 . . . . 48 Arg H . 15825 1 583 . 1 1 48 48 ARG HA H 1 4.394 0.03 . 1 . . . . 48 Arg HA . 15825 1 584 . 1 1 48 48 ARG HB2 H 1 1.646 0.03 . 2 . . . . 48 Arg HB2 . 15825 1 585 . 1 1 48 48 ARG HB3 H 1 1.482 0.03 . 2 . . . . 48 Arg HB3 . 15825 1 586 . 1 1 48 48 ARG HD2 H 1 3.250 0.03 . 2 . . . . 48 Arg HD2 . 15825 1 587 . 1 1 48 48 ARG HD3 H 1 3.103 0.03 . 2 . . . . 48 Arg HD3 . 15825 1 588 . 1 1 48 48 ARG HE H 1 7.284 0.03 . 1 . . . . 48 Arg HE . 15825 1 589 . 1 1 48 48 ARG HG2 H 1 1.679 0.03 . 2 . . . . 48 Arg HG2 . 15825 1 590 . 1 1 48 48 ARG HG3 H 1 1.579 0.03 . 2 . . . . 48 Arg HG3 . 15825 1 591 . 1 1 48 48 ARG C C 13 176.782 0.3 . 1 . . . . 48 Arg C . 15825 1 592 . 1 1 48 48 ARG CA C 13 57.758 0.3 . 1 . . . . 48 Arg CA . 15825 1 593 . 1 1 48 48 ARG CB C 13 32.217 0.3 . 1 . . . . 48 Arg CB . 15825 1 594 . 1 1 48 48 ARG CD C 13 43.820 0.3 . 1 . . . . 48 Arg CD . 15825 1 595 . 1 1 48 48 ARG CG C 13 26.786 0.3 . 1 . . . . 48 Arg CG . 15825 1 596 . 1 1 48 48 ARG N N 15 128.971 0.3 . 1 . . . . 48 Arg N . 15825 1 597 . 1 1 48 48 ARG NE N 15 84.120 0.3 . 1 . . . . 48 Arg NE . 15825 1 598 . 1 1 49 49 THR H H 1 7.713 0.03 . 1 . . . . 49 Thr H . 15825 1 599 . 1 1 49 49 THR HA H 1 4.569 0.03 . 1 . . . . 49 Thr HA . 15825 1 600 . 1 1 49 49 THR HB H 1 4.012 0.03 . 1 . . . . 49 Thr HB . 15825 1 601 . 1 1 49 49 THR HG21 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1 602 . 1 1 49 49 THR HG22 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1 603 . 1 1 49 49 THR HG23 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1 604 . 1 1 49 49 THR C C 13 171.665 0.3 . 1 . . . . 49 Thr C . 15825 1 605 . 1 1 49 49 THR CA C 13 60.464 0.3 . 1 . . . . 49 Thr CA . 15825 1 606 . 1 1 49 49 THR CB C 13 72.596 0.3 . 1 . . . . 49 Thr CB . 15825 1 607 . 1 1 49 49 THR CG2 C 13 21.864 0.3 . 1 . . . . 49 Thr CG2 . 15825 1 608 . 1 1 49 49 THR N N 15 108.581 0.3 . 1 . . . . 49 Thr N . 15825 1 609 . 1 1 50 50 VAL H H 1 8.198 0.03 . 1 . . . . 50 Val H . 15825 1 610 . 1 1 50 50 VAL HA H 1 4.306 0.03 . 1 . . . . 50 Val HA . 15825 1 611 . 1 1 50 50 VAL HB H 1 1.800 0.03 . 1 . . . . 50 Val HB . 15825 1 612 . 1 1 50 50 VAL HG11 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1 613 . 1 1 50 50 VAL HG12 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1 614 . 1 1 50 50 VAL HG13 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1 615 . 1 1 50 50 VAL HG21 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1 616 . 1 1 50 50 VAL HG22 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1 617 . 1 1 50 50 VAL HG23 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1 618 . 1 1 50 50 VAL C C 13 174.957 0.3 . 1 . . . . 50 Val C . 15825 1 619 . 1 1 50 50 VAL CA C 13 62.302 0.3 . 1 . . . . 50 Val CA . 15825 1 620 . 1 1 50 50 VAL CB C 13 33.732 0.3 . 1 . . . . 50 Val CB . 15825 1 621 . 1 1 50 50 VAL CG1 C 13 21.703 0.3 . 1 . . . . 50 Val CG1 . 15825 1 622 . 1 1 50 50 VAL CG2 C 13 20.633 0.3 . 1 . . . . 50 Val CG2 . 15825 1 623 . 1 1 50 50 VAL N N 15 122.664 0.3 . 1 . . . . 50 Val N . 15825 1 624 . 1 1 51 51 LYS H H 1 8.519 0.03 . 1 . . . . 51 Lys H . 15825 1 625 . 1 1 51 51 LYS HA H 1 4.738 0.03 . 1 . . . . 51 Lys HA . 15825 1 626 . 1 1 51 51 LYS HB2 H 1 1.764 0.03 . 2 . . . . 51 Lys HB2 . 15825 1 627 . 1 1 51 51 LYS HB3 H 1 1.601 0.03 . 2 . . . . 51 Lys HB3 . 15825 1 628 . 1 1 51 51 LYS HD2 H 1 1.608 0.03 . 2 . . . . 51 Lys HD2 . 15825 1 629 . 1 1 51 51 LYS HD3 H 1 1.608 0.03 . 2 . . . . 51 Lys HD3 . 15825 1 630 . 1 1 51 51 LYS HE2 H 1 2.876 0.03 . 2 . . . . 51 Lys HE2 . 15825 1 631 . 1 1 51 51 LYS HE3 H 1 2.876 0.03 . 2 . . . . 51 Lys HE3 . 15825 1 632 . 1 1 51 51 LYS HG2 H 1 1.322 0.03 . 2 . . . . 51 Lys HG2 . 15825 1 633 . 1 1 51 51 LYS HG3 H 1 1.321 0.03 . 2 . . . . 51 Lys HG3 . 15825 1 634 . 1 1 51 51 LYS C C 13 174.641 0.3 . 1 . . . . 51 Lys C . 15825 1 635 . 1 1 51 51 LYS CA C 13 54.703 0.3 . 1 . . . . 51 Lys CA . 15825 1 636 . 1 1 51 51 LYS CB C 13 36.567 0.3 . 1 . . . . 51 Lys CB . 15825 1 637 . 1 1 51 51 LYS CD C 13 29.225 0.3 . 1 . . . . 51 Lys CD . 15825 1 638 . 1 1 51 51 LYS CE C 13 42.054 0.3 . 1 . . . . 51 Lys CE . 15825 1 639 . 1 1 51 51 LYS CG C 13 24.712 0.3 . 1 . . . . 51 Lys CG . 15825 1 640 . 1 1 51 51 LYS N N 15 125.245 0.3 . 1 . . . . 51 Lys N . 15825 1 641 . 1 1 52 52 ASP H H 1 8.616 0.03 . 1 . . . . 52 Asp H . 15825 1 642 . 1 1 52 52 ASP HA H 1 4.531 0.03 . 1 . . . . 52 Asp HA . 15825 1 643 . 1 1 52 52 ASP HB2 H 1 2.693 0.03 . 2 . . . . 52 Asp HB2 . 15825 1 644 . 1 1 52 52 ASP HB3 H 1 2.565 0.03 . 2 . . . . 52 Asp HB3 . 15825 1 645 . 1 1 52 52 ASP C C 13 176.280 0.3 . 1 . . . . 52 Asp C . 15825 1 646 . 1 1 52 52 ASP CA C 13 54.865 0.3 . 1 . . . . 52 Asp CA . 15825 1 647 . 1 1 52 52 ASP CB C 13 41.593 0.3 . 1 . . . . 52 Asp CB . 15825 1 648 . 1 1 52 52 ASP N N 15 123.279 0.3 . 1 . . . . 52 Asp N . 15825 1 649 . 1 1 53 53 LEU H H 1 8.159 0.03 . 1 . . . . 53 Leu H . 15825 1 650 . 1 1 53 53 LEU HA H 1 4.120 0.03 . 1 . . . . 53 Leu HA . 15825 1 651 . 1 1 53 53 LEU HB2 H 1 1.568 0.03 . 2 . . . . 53 Leu HB2 . 15825 1 652 . 1 1 53 53 LEU HB3 H 1 1.263 0.03 . 2 . . . . 53 Leu HB3 . 15825 1 653 . 1 1 53 53 LEU HD11 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1 654 . 1 1 53 53 LEU HD12 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1 655 . 1 1 53 53 LEU HD13 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1 656 . 1 1 53 53 LEU HD21 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1 657 . 1 1 53 53 LEU HD22 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1 658 . 1 1 53 53 LEU HD23 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1 659 . 1 1 53 53 LEU HG H 1 1.442 0.03 . 1 . . . . 53 Leu HG . 15825 1 660 . 1 1 53 53 LEU C C 13 177.033 0.3 . 1 . . . . 53 Leu C . 15825 1 661 . 1 1 53 53 LEU CA C 13 56.583 0.3 . 1 . . . . 53 Leu CA . 15825 1 662 . 1 1 53 53 LEU CB C 13 42.573 0.3 . 1 . . . . 53 Leu CB . 15825 1 663 . 1 1 53 53 LEU CD1 C 13 24.551 0.3 . 1 . . . . 53 Leu CD1 . 15825 1 664 . 1 1 53 53 LEU CD2 C 13 24.417 0.3 . 1 . . . . 53 Leu CD2 . 15825 1 665 . 1 1 53 53 LEU CG C 13 27.195 0.3 . 1 . . . . 53 Leu CG . 15825 1 666 . 1 1 53 53 LEU N N 15 124.013 0.3 . 1 . . . . 53 Leu N . 15825 1 667 . 1 1 54 54 LEU H H 1 8.377 0.03 . 1 . . . . 54 Leu H . 15825 1 668 . 1 1 54 54 LEU HA H 1 4.281 0.03 . 1 . . . . 54 Leu HA . 15825 1 669 . 1 1 54 54 LEU HB2 H 1 1.635 0.03 . 2 . . . . 54 Leu HB2 . 15825 1 670 . 1 1 54 54 LEU HB3 H 1 1.482 0.03 . 2 . . . . 54 Leu HB3 . 15825 1 671 . 1 1 54 54 LEU HD11 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1 672 . 1 1 54 54 LEU HD12 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1 673 . 1 1 54 54 LEU HD13 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1 674 . 1 1 54 54 LEU HD21 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1 675 . 1 1 54 54 LEU HD22 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1 676 . 1 1 54 54 LEU HD23 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1 677 . 1 1 54 54 LEU HG H 1 1.557 0.03 . 1 . . . . 54 Leu HG . 15825 1 678 . 1 1 54 54 LEU C C 13 177.431 0.3 . 1 . . . . 54 Leu C . 15825 1 679 . 1 1 54 54 LEU CA C 13 55.340 0.3 . 1 . . . . 54 Leu CA . 15825 1 680 . 1 1 54 54 LEU CB C 13 41.963 0.3 . 1 . . . . 54 Leu CB . 15825 1 681 . 1 1 54 54 LEU CD1 C 13 24.957 0.3 . 1 . . . . 54 Leu CD1 . 15825 1 682 . 1 1 54 54 LEU CD2 C 13 23.350 0.3 . 1 . . . . 54 Leu CD2 . 15825 1 683 . 1 1 54 54 LEU CG C 13 27.115 0.3 . 1 . . . . 54 Leu CG . 15825 1 684 . 1 1 54 54 LEU N N 15 121.832 0.3 . 1 . . . . 54 Leu N . 15825 1 685 . 1 1 55 55 GLU H H 1 8.097 0.03 . 1 . . . . 55 Glu H . 15825 1 686 . 1 1 55 55 GLU HA H 1 4.130 0.03 . 1 . . . . 55 Glu HA . 15825 1 687 . 1 1 55 55 GLU HB2 H 1 1.925 0.03 . 2 . . . . 55 Glu HB2 . 15825 1 688 . 1 1 55 55 GLU HB3 H 1 1.925 0.03 . 2 . . . . 55 Glu HB3 . 15825 1 689 . 1 1 55 55 GLU HG2 H 1 2.207 0.03 . 2 . . . . 55 Glu HG2 . 15825 1 690 . 1 1 55 55 GLU HG3 H 1 2.128 0.03 . 2 . . . . 55 Glu HG3 . 15825 1 691 . 1 1 55 55 GLU C C 13 176.540 0.3 . 1 . . . . 55 Glu C . 15825 1 692 . 1 1 55 55 GLU CA C 13 56.905 0.3 . 1 . . . . 55 Glu CA . 15825 1 693 . 1 1 55 55 GLU CB C 13 30.265 0.3 . 1 . . . . 55 Glu CB . 15825 1 694 . 1 1 55 55 GLU CG C 13 36.309 0.3 . 1 . . . . 55 Glu CG . 15825 1 695 . 1 1 55 55 GLU N N 15 120.539 0.3 . 1 . . . . 55 Glu N . 15825 1 stop_ save_