################################### # 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 53480 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 '3D HNCA' . . . 53480 1 2 '3D HNCACB' . . . 53480 1 3 '3D HCCH-TOCSY' . . . 53480 1 4 '2D 1H-15N HSQC' . . . 53480 1 5 '2D 1H-13C HSQC' . . . 53480 1 6 '3D HCACO' . . . 53480 1 7 '3D HNCO' . . . 53480 1 8 '3D HN(COCA)CB' . . . 53480 1 9 '3D HN(CO)CA' . . . 53480 1 13 '3D 1H-15N TOCSY' . . . 53480 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 . . 53480 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 5 5 GLY C C 13 173.966 0.018 . 1 . . . . . 5 GLY C . 53480 1 2 . 1 . 1 5 5 GLY CA C 13 45.319 0.039 . 1 . . . . . 5 GLY CA . 53480 1 3 . 1 . 1 6 6 GLU H H 1 8.100 0.004 . 1 . . . . . 6 GLU H . 53480 1 4 . 1 . 1 6 6 GLU HA H 1 4.402 0.005 . 1 . . . . . 6 GLU HA . 53480 1 5 . 1 . 1 6 6 GLU HB2 H 1 2.060 0.021 . 2 . . . . . 6 GLU HB2 . 53480 1 6 . 1 . 1 6 6 GLU HB3 H 1 1.888 0.000 . 2 . . . . . 6 GLU HB3 . 53480 1 7 . 1 . 1 6 6 GLU HG2 H 1 2.200 0.003 . 2 . . . . . 6 GLU HG2 . 53480 1 8 . 1 . 1 6 6 GLU HG3 H 1 2.200 0.003 . 2 . . . . . 6 GLU HG3 . 53480 1 9 . 1 . 1 6 6 GLU C C 13 176.105 0.002 . 1 . . . . . 6 GLU C . 53480 1 10 . 1 . 1 6 6 GLU CA C 13 56.226 0.047 . 1 . . . . . 6 GLU CA . 53480 1 11 . 1 . 1 6 6 GLU CB C 13 30.564 0.095 . 1 . . . . . 6 GLU CB . 53480 1 12 . 1 . 1 6 6 GLU CG C 13 36.404 0.017 . 1 . . . . . 6 GLU CG . 53480 1 13 . 1 . 1 6 6 GLU N N 15 120.089 0.067 . 1 . . . . . 6 GLU N . 53480 1 14 . 1 . 1 7 7 GLN H H 1 8.461 0.005 . 1 . . . . . 7 GLN H . 53480 1 15 . 1 . 1 7 7 GLN HA H 1 4.740 0.006 . 1 . . . . . 7 GLN HA . 53480 1 16 . 1 . 1 7 7 GLN HB2 H 1 2.053 0.017 . 2 . . . . . 7 GLN HB2 . 53480 1 17 . 1 . 1 7 7 GLN HB3 H 1 1.897 0.006 . 2 . . . . . 7 GLN HB3 . 53480 1 18 . 1 . 1 7 7 GLN HG2 H 1 2.351 0.005 . 2 . . . . . 7 GLN HG2 . 53480 1 19 . 1 . 1 7 7 GLN HG3 H 1 2.351 0.005 . 2 . . . . . 7 GLN HG3 . 53480 1 20 . 1 . 1 7 7 GLN C C 13 173.547 0.000 . 1 . . . . . 7 GLN C . 53480 1 21 . 1 . 1 7 7 GLN CA C 13 52.951 0.047 . 1 . . . . . 7 GLN CA . 53480 1 22 . 1 . 1 7 7 GLN CB C 13 29.401 0.032 . 1 . . . . . 7 GLN CB . 53480 1 23 . 1 . 1 7 7 GLN CG C 13 33.317 0.014 . 1 . . . . . 7 GLN CG . 53480 1 24 . 1 . 1 7 7 GLN N N 15 120.815 0.040 . 1 . . . . . 7 GLN N . 53480 1 25 . 1 . 1 8 8 PRO C C 13 177.043 0.004 . 1 . . . . . 8 PRO C . 53480 1 26 . 1 . 1 8 8 PRO CA C 13 62.332 0.079 . 1 . . . . . 8 PRO CA . 53480 1 27 . 1 . 1 8 8 PRO CB C 13 32.075 0.028 . 1 . . . . . 8 PRO CB . 53480 1 28 . 1 . 1 8 8 PRO CG C 13 26.800 0.000 . 1 . . . . . 8 PRO CG . 53480 1 29 . 1 . 1 9 9 ILE H H 1 8.495 0.005 . 1 . . . . . 9 ILE H . 53480 1 30 . 1 . 1 9 9 ILE HA H 1 4.123 0.002 . 1 . . . . . 9 ILE HA . 53480 1 31 . 1 . 1 9 9 ILE HB H 1 1.698 0.008 . 1 . . . . . 9 ILE HB . 53480 1 32 . 1 . 1 9 9 ILE HG21 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1 33 . 1 . 1 9 9 ILE HG22 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1 34 . 1 . 1 9 9 ILE HG23 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1 35 . 1 . 1 9 9 ILE C C 13 176.352 0.044 . 1 . . . . . 9 ILE C . 53480 1 36 . 1 . 1 9 9 ILE CA C 13 61.906 0.071 . 1 . . . . . 9 ILE CA . 53480 1 37 . 1 . 1 9 9 ILE CB C 13 38.964 0.031 . 1 . . . . . 9 ILE CB . 53480 1 38 . 1 . 1 9 9 ILE CG2 C 13 18.179 0.017 . 1 . . . . . 9 ILE CG2 . 53480 1 39 . 1 . 1 9 9 ILE N N 15 119.003 0.047 . 1 . . . . . 9 ILE N . 53480 1 40 . 1 . 1 10 10 PHE H H 1 7.152 0.002 . 1 . . . . . 10 PHE H . 53480 1 41 . 1 . 1 10 10 PHE HA H 1 4.625 0.006 . 1 . . . . . 10 PHE HA . 53480 1 42 . 1 . 1 10 10 PHE C C 13 173.446 0.001 . 1 . . . . . 10 PHE C . 53480 1 43 . 1 . 1 10 10 PHE CA C 13 58.309 0.032 . 1 . . . . . 10 PHE CA . 53480 1 44 . 1 . 1 10 10 PHE CB C 13 41.824 0.064 . 1 . . . . . 10 PHE CB . 53480 1 45 . 1 . 1 10 10 PHE N N 15 118.673 0.081 . 1 . . . . . 10 PHE N . 53480 1 46 . 1 . 1 11 11 SER H H 1 7.837 0.004 . 1 . . . . . 11 SER H . 53480 1 47 . 1 . 1 11 11 SER HB2 H 1 3.563 0.010 . 2 . . . . . 11 SER HB2 . 53480 1 48 . 1 . 1 11 11 SER HB3 H 1 3.311 0.005 . 2 . . . . . 11 SER HB3 . 53480 1 49 . 1 . 1 11 11 SER C C 13 170.542 0.002 . 1 . . . . . 11 SER C . 53480 1 50 . 1 . 1 11 11 SER CA C 13 57.459 0.029 . 1 . . . . . 11 SER CA . 53480 1 51 . 1 . 1 11 11 SER CB C 13 66.528 0.064 . 1 . . . . . 11 SER CB . 53480 1 52 . 1 . 1 11 11 SER N N 15 123.168 0.025 . 1 . . . . . 11 SER N . 53480 1 53 . 1 . 1 12 12 THR H H 1 8.832 0.005 . 1 . . . . . 12 THR H . 53480 1 54 . 1 . 1 12 12 THR HA H 1 4.527 0.006 . 1 . . . . . 12 THR HA . 53480 1 55 . 1 . 1 12 12 THR HB H 1 4.116 0.005 . 1 . . . . . 12 THR HB . 53480 1 56 . 1 . 1 12 12 THR C C 13 171.638 0.000 . 1 . . . . . 12 THR C . 53480 1 57 . 1 . 1 12 12 THR CA C 13 59.468 0.076 . 1 . . . . . 12 THR CA . 53480 1 58 . 1 . 1 12 12 THR CB C 13 70.032 0.063 . 1 . . . . . 12 THR CB . 53480 1 59 . 1 . 1 12 12 THR CG2 C 13 20.402 0.000 . 1 . . . . . 12 THR CG2 . 53480 1 60 . 1 . 1 12 12 THR N N 15 118.257 0.026 . 1 . . . . . 12 THR N . 53480 1 61 . 1 . 1 13 13 ARG H H 1 8.082 0.003 . 1 . . . . . 13 ARG H . 53480 1 62 . 1 . 1 13 13 ARG HA H 1 5.278 0.003 . 1 . . . . . 13 ARG HA . 53480 1 63 . 1 . 1 13 13 ARG HB2 H 1 1.558 0.008 . 2 . . . . . 13 ARG HB2 . 53480 1 64 . 1 . 1 13 13 ARG HB3 H 1 1.388 0.002 . 2 . . . . . 13 ARG HB3 . 53480 1 65 . 1 . 1 13 13 ARG C C 13 174.983 0.005 . 1 . . . . . 13 ARG C . 53480 1 66 . 1 . 1 13 13 ARG CA C 13 54.204 0.030 . 1 . . . . . 13 ARG CA . 53480 1 67 . 1 . 1 13 13 ARG CB C 13 32.535 0.056 . 1 . . . . . 13 ARG CB . 53480 1 68 . 1 . 1 13 13 ARG CG C 13 27.002 0.000 . 1 . . . . . 13 ARG CG . 53480 1 69 . 1 . 1 13 13 ARG CD C 13 43.114 0.000 . 1 . . . . . 13 ARG CD . 53480 1 70 . 1 . 1 13 13 ARG N N 15 123.070 0.044 . 1 . . . . . 13 ARG N . 53480 1 71 . 1 . 1 14 14 ALA H H 1 8.984 0.003 . 1 . . . . . 14 ALA H . 53480 1 72 . 1 . 1 14 14 ALA HA H 1 4.451 0.005 . 1 . . . . . 14 ALA HA . 53480 1 73 . 1 . 1 14 14 ALA HB1 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1 74 . 1 . 1 14 14 ALA HB2 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1 75 . 1 . 1 14 14 ALA HB3 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1 76 . 1 . 1 14 14 ALA C C 13 175.887 0.007 . 1 . . . . . 14 ALA C . 53480 1 77 . 1 . 1 14 14 ALA CA C 13 51.467 0.067 . 1 . . . . . 14 ALA CA . 53480 1 78 . 1 . 1 14 14 ALA CB C 13 22.330 0.011 . 1 . . . . . 14 ALA CB . 53480 1 79 . 1 . 1 14 14 ALA N N 15 123.539 0.025 . 1 . . . . . 14 ALA N . 53480 1 80 . 1 . 1 15 15 HIS H H 1 8.577 0.003 . 1 . . . . . 15 HIS H . 53480 1 81 . 1 . 1 15 15 HIS HA H 1 4.084 0.002 . 1 . . . . . 15 HIS HA . 53480 1 82 . 1 . 1 15 15 HIS HB2 H 1 3.014 0.003 . 2 . . . . . 15 HIS HB2 . 53480 1 83 . 1 . 1 15 15 HIS HB3 H 1 2.738 0.002 . 2 . . . . . 15 HIS HB3 . 53480 1 84 . 1 . 1 15 15 HIS C C 13 174.615 0.010 . 1 . . . . . 15 HIS C . 53480 1 85 . 1 . 1 15 15 HIS CA C 13 58.092 0.093 . 1 . . . . . 15 HIS CA . 53480 1 86 . 1 . 1 15 15 HIS CB C 13 31.560 0.043 . 1 . . . . . 15 HIS CB . 53480 1 87 . 1 . 1 15 15 HIS N N 15 120.066 0.034 . 1 . . . . . 15 HIS N . 53480 1 88 . 1 . 1 16 16 VAL H H 1 7.771 0.004 . 1 . . . . . 16 VAL H . 53480 1 89 . 1 . 1 16 16 VAL HA H 1 4.500 0.003 . 1 . . . . . 16 VAL HA . 53480 1 90 . 1 . 1 16 16 VAL HB H 1 1.497 0.004 . 1 . . . . . 16 VAL HB . 53480 1 91 . 1 . 1 16 16 VAL HG11 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1 92 . 1 . 1 16 16 VAL HG12 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1 93 . 1 . 1 16 16 VAL HG13 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1 94 . 1 . 1 16 16 VAL HG21 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1 95 . 1 . 1 16 16 VAL HG22 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1 96 . 1 . 1 16 16 VAL HG23 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1 97 . 1 . 1 16 16 VAL C C 13 175.072 0.010 . 1 . . . . . 16 VAL C . 53480 1 98 . 1 . 1 16 16 VAL CA C 13 62.213 0.045 . 1 . . . . . 16 VAL CA . 53480 1 99 . 1 . 1 16 16 VAL CB C 13 33.147 0.062 . 1 . . . . . 16 VAL CB . 53480 1 100 . 1 . 1 16 16 VAL CG1 C 13 21.791 0.050 . 2 . . . . . 16 VAL CG1 . 53480 1 101 . 1 . 1 16 16 VAL CG2 C 13 21.791 0.050 . 2 . . . . . 16 VAL CG2 . 53480 1 102 . 1 . 1 16 16 VAL N N 15 122.444 0.053 . 1 . . . . . 16 VAL N . 53480 1 103 . 1 . 1 17 17 PHE H H 1 9.496 0.005 . 1 . . . . . 17 PHE H . 53480 1 104 . 1 . 1 17 17 PHE HA H 1 5.446 0.005 . 1 . . . . . 17 PHE HA . 53480 1 105 . 1 . 1 17 17 PHE HB2 H 1 3.174 0.013 . 2 . . . . . 17 PHE HB2 . 53480 1 106 . 1 . 1 17 17 PHE HB3 H 1 2.507 0.008 . 2 . . . . . 17 PHE HB3 . 53480 1 107 . 1 . 1 17 17 PHE C C 13 174.900 0.012 . 1 . . . . . 17 PHE C . 53480 1 108 . 1 . 1 17 17 PHE CA C 13 56.107 0.037 . 1 . . . . . 17 PHE CA . 53480 1 109 . 1 . 1 17 17 PHE CB C 13 45.265 0.057 . 1 . . . . . 17 PHE CB . 53480 1 110 . 1 . 1 17 17 PHE N N 15 127.266 0.063 . 1 . . . . . 17 PHE N . 53480 1 111 . 1 . 1 18 18 GLN H H 1 9.082 0.004 . 1 . . . . . 18 GLN H . 53480 1 112 . 1 . 1 18 18 GLN HA H 1 5.606 0.003 . 1 . . . . . 18 GLN HA . 53480 1 113 . 1 . 1 18 18 GLN HB2 H 1 2.008 0.004 . 2 . . . . . 18 GLN HB2 . 53480 1 114 . 1 . 1 18 18 GLN HB3 H 1 1.872 0.001 . 2 . . . . . 18 GLN HB3 . 53480 1 115 . 1 . 1 18 18 GLN HG2 H 1 2.265 0.012 . 2 . . . . . 18 GLN HG2 . 53480 1 116 . 1 . 1 18 18 GLN HG3 H 1 2.265 0.012 . 2 . . . . . 18 GLN HG3 . 53480 1 117 . 1 . 1 18 18 GLN C C 13 175.632 0.002 . 1 . . . . . 18 GLN C . 53480 1 118 . 1 . 1 18 18 GLN CA C 13 54.632 0.054 . 1 . . . . . 18 GLN CA . 53480 1 119 . 1 . 1 18 18 GLN CB C 13 34.420 0.053 . 1 . . . . . 18 GLN CB . 53480 1 120 . 1 . 1 18 18 GLN CG C 13 35.392 0.000 . 1 . . . . . 18 GLN CG . 53480 1 121 . 1 . 1 18 18 GLN N N 15 117.219 0.053 . 1 . . . . . 18 GLN N . 53480 1 122 . 1 . 1 19 19 ILE H H 1 7.751 0.003 . 1 . . . . . 19 ILE H . 53480 1 123 . 1 . 1 19 19 ILE HA H 1 3.757 0.004 . 1 . . . . . 19 ILE HA . 53480 1 124 . 1 . 1 19 19 ILE HB H 1 0.905 0.001 . 1 . . . . . 19 ILE HB . 53480 1 125 . 1 . 1 19 19 ILE C C 13 174.989 0.008 . 1 . . . . . 19 ILE C . 53480 1 126 . 1 . 1 19 19 ILE CA C 13 59.637 0.049 . 1 . . . . . 19 ILE CA . 53480 1 127 . 1 . 1 19 19 ILE CB C 13 38.967 0.069 . 1 . . . . . 19 ILE CB . 53480 1 128 . 1 . 1 19 19 ILE CG1 C 13 28.276 0.000 . 1 . . . . . 19 ILE CG1 . 53480 1 129 . 1 . 1 19 19 ILE CD1 C 13 17.806 0.000 . 1 . . . . . 19 ILE CD1 . 53480 1 130 . 1 . 1 19 19 ILE N N 15 124.159 0.028 . 1 . . . . . 19 ILE N . 53480 1 131 . 1 . 1 20 20 ASP H H 1 8.234 0.003 . 1 . . . . . 20 ASP H . 53480 1 132 . 1 . 1 20 20 ASP HA H 1 4.504 0.001 . 1 . . . . . 20 ASP HA . 53480 1 133 . 1 . 1 20 20 ASP HB2 H 1 2.749 0.005 . 2 . . . . . 20 ASP HB2 . 53480 1 134 . 1 . 1 20 20 ASP HB3 H 1 2.460 0.000 . 2 . . . . . 20 ASP HB3 . 53480 1 135 . 1 . 1 20 20 ASP C C 13 175.395 0.000 . 1 . . . . . 20 ASP C . 53480 1 136 . 1 . 1 20 20 ASP CA C 13 51.796 0.084 . 1 . . . . . 20 ASP CA . 53480 1 137 . 1 . 1 20 20 ASP CB C 13 42.316 0.054 . 1 . . . . . 20 ASP CB . 53480 1 138 . 1 . 1 20 20 ASP N N 15 127.640 0.042 . 1 . . . . . 20 ASP N . 53480 1 139 . 1 . 1 21 21 PRO C C 13 177.247 0.011 . 1 . . . . . 21 PRO C . 53480 1 140 . 1 . 1 21 21 PRO CA C 13 64.039 0.062 . 1 . . . . . 21 PRO CA . 53480 1 141 . 1 . 1 21 21 PRO CB C 13 31.985 0.012 . 1 . . . . . 21 PRO CB . 53480 1 142 . 1 . 1 21 21 PRO CG C 13 26.836 0.000 . 1 . . . . . 21 PRO CG . 53480 1 143 . 1 . 1 22 22 ASN H H 1 8.351 0.003 . 1 . . . . . 22 ASN H . 53480 1 144 . 1 . 1 22 22 ASN HA H 1 4.576 0.003 . 1 . . . . . 22 ASN HA . 53480 1 145 . 1 . 1 22 22 ASN HB2 H 1 2.865 0.002 . 2 . . . . . 22 ASN HB2 . 53480 1 146 . 1 . 1 22 22 ASN HB3 H 1 2.771 0.008 . 2 . . . . . 22 ASN HB3 . 53480 1 147 . 1 . 1 22 22 ASN C C 13 175.966 0.005 . 1 . . . . . 22 ASN C . 53480 1 148 . 1 . 1 22 22 ASN CA C 13 54.917 0.088 . 1 . . . . . 22 ASN CA . 53480 1 149 . 1 . 1 22 22 ASN CB C 13 39.052 0.026 . 1 . . . . . 22 ASN CB . 53480 1 150 . 1 . 1 22 22 ASN N N 15 115.837 0.019 . 1 . . . . . 22 ASN N . 53480 1 151 . 1 . 1 23 23 THR H H 1 7.863 0.005 . 1 . . . . . 23 THR H . 53480 1 152 . 1 . 1 23 23 THR HA H 1 4.264 0.002 . 1 . . . . . 23 THR HA . 53480 1 153 . 1 . 1 23 23 THR HB H 1 4.112 0.003 . 1 . . . . . 23 THR HB . 53480 1 154 . 1 . 1 23 23 THR C C 13 174.754 0.013 . 1 . . . . . 23 THR C . 53480 1 155 . 1 . 1 23 23 THR CA C 13 61.698 0.050 . 1 . . . . . 23 THR CA . 53480 1 156 . 1 . 1 23 23 THR CB C 13 70.545 0.038 . 1 . . . . . 23 THR CB . 53480 1 157 . 1 . 1 23 23 THR CG2 C 13 21.343 0.000 . 1 . . . . . 23 THR CG2 . 53480 1 158 . 1 . 1 23 23 THR N N 15 109.442 0.034 . 1 . . . . . 23 THR N . 53480 1 159 . 1 . 1 24 24 LYS H H 1 8.122 0.015 . 1 . . . . . 24 LYS H . 53480 1 160 . 1 . 1 24 24 LYS HB2 H 1 2.254 0.002 . 2 . . . . . 24 LYS HB2 . 53480 1 161 . 1 . 1 24 24 LYS HB3 H 1 2.162 0.008 . 2 . . . . . 24 LYS HB3 . 53480 1 162 . 1 . 1 24 24 LYS C C 13 175.916 0.018 . 1 . . . . . 24 LYS C . 53480 1 163 . 1 . 1 24 24 LYS CA C 13 57.576 0.025 . 1 . . . . . 24 LYS CA . 53480 1 164 . 1 . 1 24 24 LYS CB C 13 30.247 0.073 . 1 . . . . . 24 LYS CB . 53480 1 165 . 1 . 1 24 24 LYS CG C 13 25.005 0.000 . 1 . . . . . 24 LYS CG . 53480 1 166 . 1 . 1 24 24 LYS CD C 13 28.912 0.000 . 1 . . . . . 24 LYS CD . 53480 1 167 . 1 . 1 24 24 LYS N N 15 117.530 0.049 . 1 . . . . . 24 LYS N . 53480 1 168 . 1 . 1 25 25 LYS H H 1 7.757 0.006 . 1 . . . . . 25 LYS H . 53480 1 169 . 1 . 1 25 25 LYS HA H 1 4.144 0.004 . 1 . . . . . 25 LYS HA . 53480 1 170 . 1 . 1 25 25 LYS HB2 H 1 1.627 0.006 . 2 . . . . . 25 LYS HB2 . 53480 1 171 . 1 . 1 25 25 LYS HB3 H 1 1.470 0.008 . 2 . . . . . 25 LYS HB3 . 53480 1 172 . 1 . 1 25 25 LYS C C 13 174.917 0.005 . 1 . . . . . 25 LYS C . 53480 1 173 . 1 . 1 25 25 LYS CA C 13 56.431 0.059 . 1 . . . . . 25 LYS CA . 53480 1 174 . 1 . 1 25 25 LYS CB C 13 34.375 0.070 . 1 . . . . . 25 LYS CB . 53480 1 175 . 1 . 1 25 25 LYS CG C 13 24.402 0.000 . 1 . . . . . 25 LYS CG . 53480 1 176 . 1 . 1 25 25 LYS CD C 13 28.978 0.000 . 1 . . . . . 25 LYS CD . 53480 1 177 . 1 . 1 25 25 LYS CE C 13 42.104 0.000 . 1 . . . . . 25 LYS CE . 53480 1 178 . 1 . 1 25 25 LYS N N 15 115.675 0.033 . 1 . . . . . 25 LYS N . 53480 1 179 . 1 . 1 26 26 ASN H H 1 7.339 0.006 . 1 . . . . . 26 ASN H . 53480 1 180 . 1 . 1 26 26 ASN HA H 1 4.607 0.004 . 1 . . . . . 26 ASN HA . 53480 1 181 . 1 . 1 26 26 ASN HB2 H 1 2.664 0.003 . 2 . . . . . 26 ASN HB2 . 53480 1 182 . 1 . 1 26 26 ASN HB3 H 1 2.533 0.002 . 2 . . . . . 26 ASN HB3 . 53480 1 183 . 1 . 1 26 26 ASN C C 13 173.152 0.008 . 1 . . . . . 26 ASN C . 53480 1 184 . 1 . 1 26 26 ASN CA C 13 52.311 0.064 . 1 . . . . . 26 ASN CA . 53480 1 185 . 1 . 1 26 26 ASN CB C 13 40.404 0.022 . 1 . . . . . 26 ASN CB . 53480 1 186 . 1 . 1 26 26 ASN N N 15 115.603 0.027 . 1 . . . . . 26 ASN N . 53480 1 187 . 1 . 1 27 27 TRP H H 1 8.428 0.010 . 1 . . . . . 27 TRP H . 53480 1 188 . 1 . 1 27 27 TRP HA H 1 4.730 0.012 . 1 . . . . . 27 TRP HA . 53480 1 189 . 1 . 1 27 27 TRP C C 13 176.408 0.011 . 1 . . . . . 27 TRP C . 53480 1 190 . 1 . 1 27 27 TRP CA C 13 56.853 0.037 . 1 . . . . . 27 TRP CA . 53480 1 191 . 1 . 1 27 27 TRP CB C 13 31.046 0.018 . 1 . . . . . 27 TRP CB . 53480 1 192 . 1 . 1 27 27 TRP N N 15 121.437 0.037 . 1 . . . . . 27 TRP N . 53480 1 193 . 1 . 1 28 28 VAL H H 1 9.508 0.003 . 1 . . . . . 28 VAL H . 53480 1 194 . 1 . 1 28 28 VAL HA H 1 4.757 0.009 . 1 . . . . . 28 VAL HA . 53480 1 195 . 1 . 1 28 28 VAL HB H 1 2.222 0.007 . 1 . . . . . 28 VAL HB . 53480 1 196 . 1 . 1 28 28 VAL HG11 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1 197 . 1 . 1 28 28 VAL HG12 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1 198 . 1 . 1 28 28 VAL HG13 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1 199 . 1 . 1 28 28 VAL HG21 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1 200 . 1 . 1 28 28 VAL HG22 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1 201 . 1 . 1 28 28 VAL HG23 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1 202 . 1 . 1 28 28 VAL C C 13 174.445 0.000 . 1 . . . . . 28 VAL C . 53480 1 203 . 1 . 1 28 28 VAL CA C 13 59.082 0.051 . 1 . . . . . 28 VAL CA . 53480 1 204 . 1 . 1 28 28 VAL CB C 13 33.990 0.028 . 1 . . . . . 28 VAL CB . 53480 1 205 . 1 . 1 28 28 VAL CG1 C 13 20.469 0.001 . 1 . . . . . 28 VAL CG1 . 53480 1 206 . 1 . 1 28 28 VAL CG2 C 13 20.469 0.001 . 1 . . . . . 28 VAL CG2 . 53480 1 207 . 1 . 1 28 28 VAL N N 15 125.111 0.068 . 1 . . . . . 28 VAL N . 53480 1 208 . 1 . 1 29 29 PRO C C 13 177.558 0.041 . 1 . . . . . 29 PRO C . 53480 1 209 . 1 . 1 29 29 PRO CA C 13 63.063 0.074 . 1 . . . . . 29 PRO CA . 53480 1 210 . 1 . 1 29 29 PRO CB C 13 32.041 0.021 . 1 . . . . . 29 PRO CB . 53480 1 211 . 1 . 1 30 30 THR H H 1 8.904 0.003 . 1 . . . . . 30 THR H . 53480 1 212 . 1 . 1 30 30 THR HA H 1 4.288 0.001 . 1 . . . . . 30 THR HA . 53480 1 213 . 1 . 1 30 30 THR HB H 1 3.931 0.006 . 1 . . . . . 30 THR HB . 53480 1 214 . 1 . 1 30 30 THR HG21 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1 215 . 1 . 1 30 30 THR HG22 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1 216 . 1 . 1 30 30 THR HG23 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1 217 . 1 . 1 30 30 THR C C 13 174.743 0.024 . 1 . . . . . 30 THR C . 53480 1 218 . 1 . 1 30 30 THR CA C 13 62.588 0.062 . 1 . . . . . 30 THR CA . 53480 1 219 . 1 . 1 30 30 THR CB C 13 68.736 0.047 . 1 . . . . . 30 THR CB . 53480 1 220 . 1 . 1 30 30 THR CG2 C 13 23.191 0.020 . 1 . . . . . 30 THR CG2 . 53480 1 221 . 1 . 1 30 30 THR N N 15 118.644 0.020 . 1 . . . . . 30 THR N . 53480 1 222 . 1 . 1 31 31 SER H H 1 7.330 0.005 . 1 . . . . . 31 SER H . 53480 1 223 . 1 . 1 31 31 SER HA H 1 4.581 0.017 . 1 . . . . . 31 SER HA . 53480 1 224 . 1 . 1 31 31 SER HB2 H 1 4.029 0.006 . 2 . . . . . 31 SER HB2 . 53480 1 225 . 1 . 1 31 31 SER HB3 H 1 3.407 0.001 . 2 . . . . . 31 SER HB3 . 53480 1 226 . 1 . 1 31 31 SER C C 13 173.798 0.000 . 1 . . . . . 31 SER C . 53480 1 227 . 1 . 1 31 31 SER CA C 13 56.775 0.071 . 1 . . . . . 31 SER CA . 53480 1 228 . 1 . 1 31 31 SER CB C 13 65.923 0.061 . 1 . . . . . 31 SER CB . 53480 1 229 . 1 . 1 31 31 SER N N 15 114.112 0.030 . 1 . . . . . 31 SER N . 53480 1 230 . 1 . 1 32 32 LYS C C 13 175.808 0.025 . 1 . . . . . 32 LYS C . 53480 1 231 . 1 . 1 32 32 LYS CA C 13 57.705 0.025 . 1 . . . . . 32 LYS CA . 53480 1 232 . 1 . 1 32 32 LYS CB C 13 32.390 0.072 . 1 . . . . . 32 LYS CB . 53480 1 233 . 1 . 1 32 32 LYS CG C 13 24.924 0.000 . 1 . . . . . 32 LYS CG . 53480 1 234 . 1 . 1 32 32 LYS CD C 13 28.859 0.000 . 1 . . . . . 32 LYS CD . 53480 1 235 . 1 . 1 33 33 HIS H H 1 7.441 0.005 . 1 . . . . . 33 HIS H . 53480 1 236 . 1 . 1 33 33 HIS HA H 1 4.633 0.004 . 1 . . . . . 33 HIS HA . 53480 1 237 . 1 . 1 33 33 HIS HB2 H 1 3.151 0.004 . 2 . . . . . 33 HIS HB2 . 53480 1 238 . 1 . 1 33 33 HIS HB3 H 1 2.861 0.005 . 2 . . . . . 33 HIS HB3 . 53480 1 239 . 1 . 1 33 33 HIS C C 13 173.984 0.003 . 1 . . . . . 33 HIS C . 53480 1 240 . 1 . 1 33 33 HIS CA C 13 53.288 0.067 . 1 . . . . . 33 HIS CA . 53480 1 241 . 1 . 1 33 33 HIS CB C 13 32.298 0.066 . 1 . . . . . 33 HIS CB . 53480 1 242 . 1 . 1 33 33 HIS N N 15 115.206 0.023 . 1 . . . . . 33 HIS N . 53480 1 243 . 1 . 1 34 34 ALA H H 1 8.210 0.005 . 1 . . . . . 34 ALA H . 53480 1 244 . 1 . 1 34 34 ALA HA H 1 3.414 0.002 . 1 . . . . . 34 ALA HA . 53480 1 245 . 1 . 1 34 34 ALA HB1 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1 246 . 1 . 1 34 34 ALA HB2 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1 247 . 1 . 1 34 34 ALA HB3 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1 248 . 1 . 1 34 34 ALA C C 13 176.889 0.010 . 1 . . . . . 34 ALA C . 53480 1 249 . 1 . 1 34 34 ALA CA C 13 52.664 0.055 . 1 . . . . . 34 ALA CA . 53480 1 250 . 1 . 1 34 34 ALA CB C 13 17.747 0.065 . 1 . . . . . 34 ALA CB . 53480 1 251 . 1 . 1 34 34 ALA N N 15 123.346 0.057 . 1 . . . . . 34 ALA N . 53480 1 252 . 1 . 1 35 35 VAL H H 1 8.297 0.008 . 1 . . . . . 35 VAL H . 53480 1 253 . 1 . 1 35 35 VAL HA H 1 4.538 0.002 . 1 . . . . . 35 VAL HA . 53480 1 254 . 1 . 1 35 35 VAL HB H 1 2.164 0.024 . 1 . . . . . 35 VAL HB . 53480 1 255 . 1 . 1 35 35 VAL C C 13 175.162 0.001 . 1 . . . . . 35 VAL C . 53480 1 256 . 1 . 1 35 35 VAL CA C 13 59.049 0.087 . 1 . . . . . 35 VAL CA . 53480 1 257 . 1 . 1 35 35 VAL CB C 13 35.525 0.071 . 1 . . . . . 35 VAL CB . 53480 1 258 . 1 . 1 35 35 VAL CG1 C 13 22.438 0.000 . 2 . . . . . 35 VAL CG1 . 53480 1 259 . 1 . 1 35 35 VAL CG2 C 13 19.023 0.000 . 2 . . . . . 35 VAL CG2 . 53480 1 260 . 1 . 1 35 35 VAL N N 15 116.502 0.036 . 1 . . . . . 35 VAL N . 53480 1 261 . 1 . 1 36 36 THR H H 1 8.653 0.003 . 1 . . . . . 36 THR H . 53480 1 262 . 1 . 1 36 36 THR HA H 1 4.636 0.006 . 1 . . . . . 36 THR HA . 53480 1 263 . 1 . 1 36 36 THR HB H 1 4.038 0.014 . 1 . . . . . 36 THR HB . 53480 1 264 . 1 . 1 36 36 THR HG21 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1 265 . 1 . 1 36 36 THR HG22 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1 266 . 1 . 1 36 36 THR HG23 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1 267 . 1 . 1 36 36 THR C C 13 175.335 0.000 . 1 . . . . . 36 THR C . 53480 1 268 . 1 . 1 36 36 THR CA C 13 63.840 0.055 . 1 . . . . . 36 THR CA . 53480 1 269 . 1 . 1 36 36 THR CB C 13 68.851 0.063 . 1 . . . . . 36 THR CB . 53480 1 270 . 1 . 1 36 36 THR CG2 C 13 22.302 0.023 . 1 . . . . . 36 THR CG2 . 53480 1 271 . 1 . 1 36 36 THR N N 15 117.179 0.025 . 1 . . . . . 36 THR N . 53480 1 272 . 1 . 1 37 37 VAL H H 1 9.142 0.005 . 1 . . . . . 37 VAL H . 53480 1 273 . 1 . 1 37 37 VAL HA H 1 4.263 0.019 . 1 . . . . . 37 VAL HA . 53480 1 274 . 1 . 1 37 37 VAL HB H 1 1.699 0.010 . 1 . . . . . 37 VAL HB . 53480 1 275 . 1 . 1 37 37 VAL HG11 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1 276 . 1 . 1 37 37 VAL HG12 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1 277 . 1 . 1 37 37 VAL HG13 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1 278 . 1 . 1 37 37 VAL HG21 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1 279 . 1 . 1 37 37 VAL HG22 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1 280 . 1 . 1 37 37 VAL HG23 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1 281 . 1 . 1 37 37 VAL C C 13 174.553 0.016 . 1 . . . . . 37 VAL C . 53480 1 282 . 1 . 1 37 37 VAL CA C 13 62.243 0.063 . 1 . . . . . 37 VAL CA . 53480 1 283 . 1 . 1 37 37 VAL CB C 13 33.603 0.042 . 1 . . . . . 37 VAL CB . 53480 1 284 . 1 . 1 37 37 VAL CG1 C 13 21.875 0.000 . 2 . . . . . 37 VAL CG1 . 53480 1 285 . 1 . 1 37 37 VAL CG2 C 13 20.243 0.000 . 2 . . . . . 37 VAL CG2 . 53480 1 286 . 1 . 1 37 37 VAL N N 15 132.487 0.029 . 1 . . . . . 37 VAL N . 53480 1 287 . 1 . 1 38 38 SER H H 1 8.528 0.006 . 1 . . . . . 38 SER H . 53480 1 288 . 1 . 1 38 38 SER HA H 1 5.660 0.003 . 1 . . . . . 38 SER HA . 53480 1 289 . 1 . 1 38 38 SER HB2 H 1 3.587 0.015 . 2 . . . . . 38 SER HB2 . 53480 1 290 . 1 . 1 38 38 SER HB3 H 1 3.501 0.012 . 2 . . . . . 38 SER HB3 . 53480 1 291 . 1 . 1 38 38 SER C C 13 172.242 0.004 . 1 . . . . . 38 SER C . 53480 1 292 . 1 . 1 38 38 SER CA C 13 57.200 0.040 . 1 . . . . . 38 SER CA . 53480 1 293 . 1 . 1 38 38 SER CB C 13 67.482 0.049 . 1 . . . . . 38 SER CB . 53480 1 294 . 1 . 1 38 38 SER N N 15 120.639 0.047 . 1 . . . . . 38 SER N . 53480 1 295 . 1 . 1 39 39 TYR H H 1 8.604 0.003 . 1 . . . . . 39 TYR H . 53480 1 296 . 1 . 1 39 39 TYR HA H 1 5.535 0.001 . 1 . . . . . 39 TYR HA . 53480 1 297 . 1 . 1 39 39 TYR HB2 H 1 2.640 0.005 . 2 . . . . . 39 TYR HB2 . 53480 1 298 . 1 . 1 39 39 TYR HB3 H 1 2.417 0.003 . 2 . . . . . 39 TYR HB3 . 53480 1 299 . 1 . 1 39 39 TYR C C 13 175.461 0.000 . 1 . . . . . 39 TYR C . 53480 1 300 . 1 . 1 39 39 TYR CA C 13 56.832 0.050 . 1 . . . . . 39 TYR CA . 53480 1 301 . 1 . 1 39 39 TYR CB C 13 41.565 0.051 . 1 . . . . . 39 TYR CB . 53480 1 302 . 1 . 1 39 39 TYR N N 15 118.759 0.035 . 1 . . . . . 39 TYR N . 53480 1 303 . 1 . 1 40 40 PHE H H 1 9.497 0.007 . 1 . . . . . 40 PHE H . 53480 1 304 . 1 . 1 40 40 PHE HA H 1 4.774 0.001 . 1 . . . . . 40 PHE HA . 53480 1 305 . 1 . 1 40 40 PHE HB2 H 1 2.919 0.000 . 2 . . . . . 40 PHE HB2 . 53480 1 306 . 1 . 1 40 40 PHE HB3 H 1 2.436 0.004 . 2 . . . . . 40 PHE HB3 . 53480 1 307 . 1 . 1 40 40 PHE C C 13 174.050 0.013 . 1 . . . . . 40 PHE C . 53480 1 308 . 1 . 1 40 40 PHE CA C 13 56.880 0.070 . 1 . . . . . 40 PHE CA . 53480 1 309 . 1 . 1 40 40 PHE CB C 13 43.632 0.011 . 1 . . . . . 40 PHE CB . 53480 1 310 . 1 . 1 40 40 PHE N N 15 120.219 0.075 . 1 . . . . . 40 PHE N . 53480 1 311 . 1 . 1 41 41 TYR H H 1 8.960 0.004 . 1 . . . . . 41 TYR H . 53480 1 312 . 1 . 1 41 41 TYR HA H 1 4.598 0.004 . 1 . . . . . 41 TYR HA . 53480 1 313 . 1 . 1 41 41 TYR HB2 H 1 2.585 0.005 . 2 . . . . . 41 TYR HB2 . 53480 1 314 . 1 . 1 41 41 TYR HB3 H 1 2.536 0.022 . 2 . . . . . 41 TYR HB3 . 53480 1 315 . 1 . 1 41 41 TYR C C 13 173.674 0.021 . 1 . . . . . 41 TYR C . 53480 1 316 . 1 . 1 41 41 TYR CA C 13 55.908 0.032 . 1 . . . . . 41 TYR CA . 53480 1 317 . 1 . 1 41 41 TYR CB C 13 40.168 0.078 . 1 . . . . . 41 TYR CB . 53480 1 318 . 1 . 1 41 41 TYR N N 15 121.213 0.040 . 1 . . . . . 41 TYR N . 53480 1 319 . 1 . 1 42 42 ASP H H 1 8.245 0.006 . 1 . . . . . 42 ASP H . 53480 1 320 . 1 . 1 42 42 ASP HA H 1 4.507 0.007 . 1 . . . . . 42 ASP HA . 53480 1 321 . 1 . 1 42 42 ASP HB2 H 1 2.642 0.007 . 2 . . . . . 42 ASP HB2 . 53480 1 322 . 1 . 1 42 42 ASP HB3 H 1 2.119 0.003 . 2 . . . . . 42 ASP HB3 . 53480 1 323 . 1 . 1 42 42 ASP C C 13 175.772 0.010 . 1 . . . . . 42 ASP C . 53480 1 324 . 1 . 1 42 42 ASP CA C 13 51.521 0.083 . 1 . . . . . 42 ASP CA . 53480 1 325 . 1 . 1 42 42 ASP CB C 13 41.533 0.043 . 1 . . . . . 42 ASP CB . 53480 1 326 . 1 . 1 42 42 ASP N N 15 128.449 0.052 . 1 . . . . . 42 ASP N . 53480 1 327 . 1 . 1 43 43 SER H H 1 8.398 0.006 . 1 . . . . . 43 SER H . 53480 1 328 . 1 . 1 43 43 SER HA H 1 4.156 0.002 . 1 . . . . . 43 SER HA . 53480 1 329 . 1 . 1 43 43 SER HB2 H 1 3.971 0.005 . 2 . . . . . 43 SER HB2 . 53480 1 330 . 1 . 1 43 43 SER HB3 H 1 3.948 0.002 . 2 . . . . . 43 SER HB3 . 53480 1 331 . 1 . 1 43 43 SER C C 13 175.571 0.000 . 1 . . . . . 43 SER C . 53480 1 332 . 1 . 1 43 43 SER CA C 13 59.884 0.045 . 1 . . . . . 43 SER CA . 53480 1 333 . 1 . 1 43 43 SER CB C 13 63.044 0.048 . 1 . . . . . 43 SER CB . 53480 1 334 . 1 . 1 43 43 SER N N 15 120.290 0.065 . 1 . . . . . 43 SER N . 53480 1 335 . 1 . 1 44 44 THR H H 1 8.146 0.003 . 1 . . . . . 44 THR H . 53480 1 336 . 1 . 1 44 44 THR HA H 1 4.036 0.004 . 1 . . . . . 44 THR HA . 53480 1 337 . 1 . 1 44 44 THR HB H 1 4.107 0.003 . 1 . . . . . 44 THR HB . 53480 1 338 . 1 . 1 44 44 THR HG21 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1 339 . 1 . 1 44 44 THR HG22 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1 340 . 1 . 1 44 44 THR HG23 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1 341 . 1 . 1 44 44 THR C C 13 176.323 0.000 . 1 . . . . . 44 THR C . 53480 1 342 . 1 . 1 44 44 THR CA C 13 65.063 0.042 . 1 . . . . . 44 THR CA . 53480 1 343 . 1 . 1 44 44 THR CB C 13 68.301 0.089 . 1 . . . . . 44 THR CB . 53480 1 344 . 1 . 1 44 44 THR CG2 C 13 21.881 0.001 . 1 . . . . . 44 THR CG2 . 53480 1 345 . 1 . 1 44 44 THR N N 15 117.941 0.029 . 1 . . . . . 44 THR N . 53480 1 346 . 1 . 1 45 45 ARG H H 1 7.150 0.004 . 1 . . . . . 45 ARG H . 53480 1 347 . 1 . 1 45 45 ARG HA H 1 4.171 0.004 . 1 . . . . . 45 ARG HA . 53480 1 348 . 1 . 1 45 45 ARG HB2 H 1 1.766 0.000 . 2 . . . . . 45 ARG HB2 . 53480 1 349 . 1 . 1 45 45 ARG HB3 H 1 1.110 0.008 . 2 . . . . . 45 ARG HB3 . 53480 1 350 . 1 . 1 45 45 ARG C C 13 175.249 0.005 . 1 . . . . . 45 ARG C . 53480 1 351 . 1 . 1 45 45 ARG CA C 13 55.442 0.065 . 1 . . . . . 45 ARG CA . 53480 1 352 . 1 . 1 45 45 ARG CB C 13 31.881 0.045 . 1 . . . . . 45 ARG CB . 53480 1 353 . 1 . 1 45 45 ARG CG C 13 27.836 0.000 . 1 . . . . . 45 ARG CG . 53480 1 354 . 1 . 1 45 45 ARG CD C 13 42.932 0.000 . 1 . . . . . 45 ARG CD . 53480 1 355 . 1 . 1 45 45 ARG N N 15 118.675 0.073 . 1 . . . . . 45 ARG N . 53480 1 356 . 1 . 1 46 46 ASN H H 1 7.880 0.007 . 1 . . . . . 46 ASN H . 53480 1 357 . 1 . 1 46 46 ASN HA H 1 3.998 0.001 . 1 . . . . . 46 ASN HA . 53480 1 358 . 1 . 1 46 46 ASN HB2 H 1 3.221 0.003 . 2 . . . . . 46 ASN HB2 . 53480 1 359 . 1 . 1 46 46 ASN HB3 H 1 2.525 0.002 . 2 . . . . . 46 ASN HB3 . 53480 1 360 . 1 . 1 46 46 ASN C C 13 173.669 0.010 . 1 . . . . . 46 ASN C . 53480 1 361 . 1 . 1 46 46 ASN CA C 13 53.756 0.089 . 1 . . . . . 46 ASN CA . 53480 1 362 . 1 . 1 46 46 ASN CB C 13 36.516 0.035 . 1 . . . . . 46 ASN CB . 53480 1 363 . 1 . 1 46 46 ASN N N 15 118.036 0.051 . 1 . . . . . 46 ASN N . 53480 1 364 . 1 . 1 47 47 VAL H H 1 6.868 0.002 . 1 . . . . . 47 VAL H . 53480 1 365 . 1 . 1 47 47 VAL HA H 1 4.608 0.003 . 1 . . . . . 47 VAL HA . 53480 1 366 . 1 . 1 47 47 VAL HB H 1 2.025 0.021 . 1 . . . . . 47 VAL HB . 53480 1 367 . 1 . 1 47 47 VAL HG11 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1 368 . 1 . 1 47 47 VAL HG12 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1 369 . 1 . 1 47 47 VAL HG13 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1 370 . 1 . 1 47 47 VAL HG21 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1 371 . 1 . 1 47 47 VAL HG22 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1 372 . 1 . 1 47 47 VAL HG23 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1 373 . 1 . 1 47 47 VAL C C 13 173.080 0.011 . 1 . . . . . 47 VAL C . 53480 1 374 . 1 . 1 47 47 VAL CA C 13 58.934 0.032 . 1 . . . . . 47 VAL CA . 53480 1 375 . 1 . 1 47 47 VAL CB C 13 36.156 0.065 . 1 . . . . . 47 VAL CB . 53480 1 376 . 1 . 1 47 47 VAL CG1 C 13 21.601 0.022 . 2 . . . . . 47 VAL CG1 . 53480 1 377 . 1 . 1 47 47 VAL CG2 C 13 21.601 0.022 . 2 . . . . . 47 VAL CG2 . 53480 1 378 . 1 . 1 47 47 VAL N N 15 109.507 0.030 . 1 . . . . . 47 VAL N . 53480 1 379 . 1 . 1 48 48 TYR H H 1 9.494 0.005 . 1 . . . . . 48 TYR H . 53480 1 380 . 1 . 1 48 48 TYR HA H 1 5.114 0.002 . 1 . . . . . 48 TYR HA . 53480 1 381 . 1 . 1 48 48 TYR HB2 H 1 2.649 0.007 . 2 . . . . . 48 TYR HB2 . 53480 1 382 . 1 . 1 48 48 TYR HB3 H 1 2.350 0.006 . 2 . . . . . 48 TYR HB3 . 53480 1 383 . 1 . 1 48 48 TYR C C 13 175.026 0.007 . 1 . . . . . 48 TYR C . 53480 1 384 . 1 . 1 48 48 TYR CA C 13 57.496 0.067 . 1 . . . . . 48 TYR CA . 53480 1 385 . 1 . 1 48 48 TYR CB C 13 41.007 0.075 . 1 . . . . . 48 TYR CB . 53480 1 386 . 1 . 1 48 48 TYR N N 15 122.175 0.045 . 1 . . . . . 48 TYR N . 53480 1 387 . 1 . 1 49 49 ARG H H 1 9.074 0.007 . 1 . . . . . 49 ARG H . 53480 1 388 . 1 . 1 49 49 ARG HA H 1 5.348 0.004 . 1 . . . . . 49 ARG HA . 53480 1 389 . 1 . 1 49 49 ARG HB2 H 1 1.598 0.011 . 2 . . . . . 49 ARG HB2 . 53480 1 390 . 1 . 1 49 49 ARG HB3 H 1 1.332 0.004 . 2 . . . . . 49 ARG HB3 . 53480 1 391 . 1 . 1 49 49 ARG C C 13 174.778 0.009 . 1 . . . . . 49 ARG C . 53480 1 392 . 1 . 1 49 49 ARG CA C 13 53.965 0.039 . 1 . . . . . 49 ARG CA . 53480 1 393 . 1 . 1 49 49 ARG CB C 13 35.052 0.043 . 1 . . . . . 49 ARG CB . 53480 1 394 . 1 . 1 49 49 ARG CG C 13 27.502 0.000 . 1 . . . . . 49 ARG CG . 53480 1 395 . 1 . 1 49 49 ARG N N 15 118.579 0.042 . 1 . . . . . 49 ARG N . 53480 1 396 . 1 . 1 50 50 ILE H H 1 9.086 0.005 . 1 . . . . . 50 ILE H . 53480 1 397 . 1 . 1 50 50 ILE HA H 1 4.648 0.007 . 1 . . . . . 50 ILE HA . 53480 1 398 . 1 . 1 50 50 ILE HB H 1 1.479 0.005 . 1 . . . . . 50 ILE HB . 53480 1 399 . 1 . 1 50 50 ILE HG21 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1 400 . 1 . 1 50 50 ILE HG22 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1 401 . 1 . 1 50 50 ILE HG23 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1 402 . 1 . 1 50 50 ILE C C 13 174.964 0.000 . 1 . . . . . 50 ILE C . 53480 1 403 . 1 . 1 50 50 ILE CA C 13 60.486 0.065 . 1 . . . . . 50 ILE CA . 53480 1 404 . 1 . 1 50 50 ILE CB C 13 39.408 0.026 . 1 . . . . . 50 ILE CB . 53480 1 405 . 1 . 1 50 50 ILE CG2 C 13 18.294 0.012 . 1 . . . . . 50 ILE CG2 . 53480 1 406 . 1 . 1 50 50 ILE N N 15 122.434 0.039 . 1 . . . . . 50 ILE N . 53480 1 407 . 1 . 1 51 51 ILE H H 1 9.012 0.003 . 1 . . . . . 51 ILE H . 53480 1 408 . 1 . 1 51 51 ILE HA H 1 4.877 0.003 . 1 . . . . . 51 ILE HA . 53480 1 409 . 1 . 1 51 51 ILE HB H 1 1.643 0.002 . 1 . . . . . 51 ILE HB . 53480 1 410 . 1 . 1 51 51 ILE HG21 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1 411 . 1 . 1 51 51 ILE HG22 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1 412 . 1 . 1 51 51 ILE HG23 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1 413 . 1 . 1 51 51 ILE C C 13 175.817 0.005 . 1 . . . . . 51 ILE C . 53480 1 414 . 1 . 1 51 51 ILE CA C 13 58.368 0.054 . 1 . . . . . 51 ILE CA . 53480 1 415 . 1 . 1 51 51 ILE CB C 13 41.786 0.030 . 1 . . . . . 51 ILE CB . 53480 1 416 . 1 . 1 51 51 ILE CG1 C 13 27.151 0.000 . 1 . . . . . 51 ILE CG1 . 53480 1 417 . 1 . 1 51 51 ILE CG2 C 13 16.826 0.018 . 1 . . . . . 51 ILE CG2 . 53480 1 418 . 1 . 1 51 51 ILE CD1 C 13 16.811 0.000 . 1 . . . . . 51 ILE CD1 . 53480 1 419 . 1 . 1 51 51 ILE N N 15 125.383 0.023 . 1 . . . . . 51 ILE N . 53480 1 420 . 1 . 1 52 52 SER H H 1 8.364 0.006 . 1 . . . . . 52 SER H . 53480 1 421 . 1 . 1 52 52 SER HA H 1 4.789 0.001 . 1 . . . . . 52 SER HA . 53480 1 422 . 1 . 1 52 52 SER HB2 H 1 3.607 0.020 . 2 . . . . . 52 SER HB2 . 53480 1 423 . 1 . 1 52 52 SER HB3 H 1 3.335 0.025 . 2 . . . . . 52 SER HB3 . 53480 1 424 . 1 . 1 52 52 SER C C 13 173.296 0.000 . 1 . . . . . 52 SER C . 53480 1 425 . 1 . 1 52 52 SER CA C 13 57.652 0.058 . 1 . . . . . 52 SER CA . 53480 1 426 . 1 . 1 52 52 SER CB C 13 66.207 0.097 . 1 . . . . . 52 SER CB . 53480 1 427 . 1 . 1 52 52 SER N N 15 121.475 0.041 . 1 . . . . . 52 SER N . 53480 1 428 . 1 . 1 53 53 LEU H H 1 9.023 0.003 . 1 . . . . . 53 LEU H . 53480 1 429 . 1 . 1 53 53 LEU HA H 1 5.073 0.002 . 1 . . . . . 53 LEU HA . 53480 1 430 . 1 . 1 53 53 LEU HB2 H 1 1.587 0.003 . 2 . . . . . 53 LEU HB2 . 53480 1 431 . 1 . 1 53 53 LEU HB3 H 1 1.414 0.005 . 2 . . . . . 53 LEU HB3 . 53480 1 432 . 1 . 1 53 53 LEU C C 13 175.541 0.024 . 1 . . . . . 53 LEU C . 53480 1 433 . 1 . 1 53 53 LEU CA C 13 54.174 0.036 . 1 . . . . . 53 LEU CA . 53480 1 434 . 1 . 1 53 53 LEU CB C 13 44.485 0.044 . 1 . . . . . 53 LEU CB . 53480 1 435 . 1 . 1 53 53 LEU N N 15 130.401 0.027 . 1 . . . . . 53 LEU N . 53480 1 436 . 1 . 1 54 54 ASP H H 1 8.731 0.004 . 1 . . . . . 54 ASP H . 53480 1 437 . 1 . 1 54 54 ASP HA H 1 4.796 0.003 . 1 . . . . . 54 ASP HA . 53480 1 438 . 1 . 1 54 54 ASP HB2 H 1 2.766 0.003 . 2 . . . . . 54 ASP HB2 . 53480 1 439 . 1 . 1 54 54 ASP HB3 H 1 2.330 0.005 . 2 . . . . . 54 ASP HB3 . 53480 1 440 . 1 . 1 54 54 ASP C C 13 176.985 0.004 . 1 . . . . . 54 ASP C . 53480 1 441 . 1 . 1 54 54 ASP CA C 13 52.571 0.052 . 1 . . . . . 54 ASP CA . 53480 1 442 . 1 . 1 54 54 ASP CB C 13 42.126 0.041 . 1 . . . . . 54 ASP CB . 53480 1 443 . 1 . 1 54 54 ASP N N 15 120.789 0.048 . 1 . . . . . 54 ASP N . 53480 1 444 . 1 . 1 55 55 GLY H H 1 8.595 0.005 . 1 . . . . . 55 GLY H . 53480 1 445 . 1 . 1 55 55 GLY HA2 H 1 4.037 0.005 . 2 . . . . . 55 GLY HA2 . 53480 1 446 . 1 . 1 55 55 GLY HA3 H 1 3.578 0.007 . 2 . . . . . 55 GLY HA3 . 53480 1 447 . 1 . 1 55 55 GLY CA C 13 46.929 0.053 . 1 . . . . . 55 GLY CA . 53480 1 448 . 1 . 1 55 55 GLY N N 15 115.253 0.037 . 1 . . . . . 55 GLY N . 53480 1 449 . 1 . 1 56 56 SER C C 13 173.603 0.004 . 1 . . . . . 56 SER C . 53480 1 450 . 1 . 1 56 56 SER CA C 13 58.420 0.057 . 1 . . . . . 56 SER CA . 53480 1 451 . 1 . 1 56 56 SER CB C 13 63.701 0.039 . 1 . . . . . 56 SER CB . 53480 1 452 . 1 . 1 57 57 LYS H H 1 7.717 0.004 . 1 . . . . . 57 LYS H . 53480 1 453 . 1 . 1 57 57 LYS HA H 1 4.347 0.002 . 1 . . . . . 57 LYS HA . 53480 1 454 . 1 . 1 57 57 LYS HB2 H 1 1.861 0.005 . 2 . . . . . 57 LYS HB2 . 53480 1 455 . 1 . 1 57 57 LYS HB3 H 1 1.756 0.005 . 2 . . . . . 57 LYS HB3 . 53480 1 456 . 1 . 1 57 57 LYS HG2 H 1 1.344 0.007 . 2 . . . . . 57 LYS HG2 . 53480 1 457 . 1 . 1 57 57 LYS HG3 H 1 1.224 0.005 . 2 . . . . . 57 LYS HG3 . 53480 1 458 . 1 . 1 57 57 LYS HD2 H 1 1.621 0.006 . 2 . . . . . 57 LYS HD2 . 53480 1 459 . 1 . 1 57 57 LYS HD3 H 1 1.621 0.006 . 2 . . . . . 57 LYS HD3 . 53480 1 460 . 1 . 1 57 57 LYS HE2 H 1 2.914 0.004 . 2 . . . . . 57 LYS HE2 . 53480 1 461 . 1 . 1 57 57 LYS HE3 H 1 2.914 0.004 . 2 . . . . . 57 LYS HE3 . 53480 1 462 . 1 . 1 57 57 LYS C C 13 174.935 0.053 . 1 . . . . . 57 LYS C . 53480 1 463 . 1 . 1 57 57 LYS CA C 13 55.230 0.050 . 1 . . . . . 57 LYS CA . 53480 1 464 . 1 . 1 57 57 LYS CB C 13 34.198 0.048 . 1 . . . . . 57 LYS CB . 53480 1 465 . 1 . 1 57 57 LYS CG C 13 24.438 0.064 . 1 . . . . . 57 LYS CG . 53480 1 466 . 1 . 1 57 57 LYS CD C 13 29.139 0.038 . 1 . . . . . 57 LYS CD . 53480 1 467 . 1 . 1 57 57 LYS CE C 13 42.037 0.052 . 1 . . . . . 57 LYS CE . 53480 1 468 . 1 . 1 57 57 LYS N N 15 122.926 0.031 . 1 . . . . . 57 LYS N . 53480 1 469 . 1 . 1 58 58 ALA H H 1 8.718 0.009 . 1 . . . . . 58 ALA H . 53480 1 470 . 1 . 1 58 58 ALA HB1 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1 471 . 1 . 1 58 58 ALA HB2 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1 472 . 1 . 1 58 58 ALA HB3 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1 473 . 1 . 1 58 58 ALA C C 13 177.318 0.011 . 1 . . . . . 58 ALA C . 53480 1 474 . 1 . 1 58 58 ALA CA C 13 52.111 0.054 . 1 . . . . . 58 ALA CA . 53480 1 475 . 1 . 1 58 58 ALA CB C 13 17.194 0.011 . 1 . . . . . 58 ALA CB . 53480 1 476 . 1 . 1 58 58 ALA N N 15 128.175 0.090 . 1 . . . . . 58 ALA N . 53480 1 477 . 1 . 1 59 59 ILE H H 1 8.579 0.002 . 1 . . . . . 59 ILE H . 53480 1 478 . 1 . 1 59 59 ILE HA H 1 4.085 0.000 . 1 . . . . . 59 ILE HA . 53480 1 479 . 1 . 1 59 59 ILE C C 13 176.431 0.017 . 1 . . . . . 59 ILE C . 53480 1 480 . 1 . 1 59 59 ILE CA C 13 62.568 0.060 . 1 . . . . . 59 ILE CA . 53480 1 481 . 1 . 1 59 59 ILE CB C 13 38.595 0.041 . 1 . . . . . 59 ILE CB . 53480 1 482 . 1 . 1 59 59 ILE CG1 C 13 26.691 0.000 . 1 . . . . . 59 ILE CG1 . 53480 1 483 . 1 . 1 59 59 ILE CD1 C 13 18.508 0.000 . 1 . . . . . 59 ILE CD1 . 53480 1 484 . 1 . 1 59 59 ILE N N 15 121.716 0.000 . 1 . . . . . 59 ILE N . 53480 1 485 . 1 . 1 60 60 ILE H H 1 7.601 0.006 . 1 . . . . . 60 ILE H . 53480 1 486 . 1 . 1 60 60 ILE HA H 1 3.822 0.002 . 1 . . . . . 60 ILE HA . 53480 1 487 . 1 . 1 60 60 ILE HB H 1 1.230 0.010 . 1 . . . . . 60 ILE HB . 53480 1 488 . 1 . 1 60 60 ILE HG21 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1 489 . 1 . 1 60 60 ILE HG22 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1 490 . 1 . 1 60 60 ILE HG23 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1 491 . 1 . 1 60 60 ILE C C 13 174.909 0.003 . 1 . . . . . 60 ILE C . 53480 1 492 . 1 . 1 60 60 ILE CA C 13 62.564 0.051 . 1 . . . . . 60 ILE CA . 53480 1 493 . 1 . 1 60 60 ILE CB C 13 42.455 0.043 . 1 . . . . . 60 ILE CB . 53480 1 494 . 1 . 1 60 60 ILE CG2 C 13 16.562 0.008 . 1 . . . . . 60 ILE CG2 . 53480 1 495 . 1 . 1 60 60 ILE N N 15 117.620 0.037 . 1 . . . . . 60 ILE N . 53480 1 496 . 1 . 1 61 61 ASN H H 1 7.636 0.007 . 1 . . . . . 61 ASN H . 53480 1 497 . 1 . 1 61 61 ASN HA H 1 5.052 0.008 . 1 . . . . . 61 ASN HA . 53480 1 498 . 1 . 1 61 61 ASN HB2 H 1 2.862 0.002 . 2 . . . . . 61 ASN HB2 . 53480 1 499 . 1 . 1 61 61 ASN HB3 H 1 2.435 0.003 . 2 . . . . . 61 ASN HB3 . 53480 1 500 . 1 . 1 61 61 ASN C C 13 174.438 0.018 . 1 . . . . . 61 ASN C . 53480 1 501 . 1 . 1 61 61 ASN CA C 13 53.222 0.067 . 1 . . . . . 61 ASN CA . 53480 1 502 . 1 . 1 61 61 ASN CB C 13 37.788 0.032 . 1 . . . . . 61 ASN CB . 53480 1 503 . 1 . 1 61 61 ASN N N 15 124.065 0.072 . 1 . . . . . 61 ASN N . 53480 1 504 . 1 . 1 62 62 SER H H 1 8.998 0.005 . 1 . . . . . 62 SER H . 53480 1 505 . 1 . 1 62 62 SER HA H 1 5.107 0.003 . 1 . . . . . 62 SER HA . 53480 1 506 . 1 . 1 62 62 SER HB2 H 1 4.022 0.005 . 2 . . . . . 62 SER HB2 . 53480 1 507 . 1 . 1 62 62 SER HB3 H 1 3.753 0.001 . 2 . . . . . 62 SER HB3 . 53480 1 508 . 1 . 1 62 62 SER C C 13 174.612 0.021 . 1 . . . . . 62 SER C . 53480 1 509 . 1 . 1 62 62 SER CA C 13 56.863 0.028 . 1 . . . . . 62 SER CA . 53480 1 510 . 1 . 1 62 62 SER CB C 13 66.174 0.029 . 1 . . . . . 62 SER CB . 53480 1 511 . 1 . 1 62 62 SER N N 15 119.034 0.020 . 1 . . . . . 62 SER N . 53480 1 512 . 1 . 1 63 63 THR H H 1 9.017 0.006 . 1 . . . . . 63 THR H . 53480 1 513 . 1 . 1 63 63 THR HA H 1 4.525 0.008 . 1 . . . . . 63 THR HA . 53480 1 514 . 1 . 1 63 63 THR HB H 1 4.046 0.006 . 1 . . . . . 63 THR HB . 53480 1 515 . 1 . 1 63 63 THR C C 13 173.733 0.018 . 1 . . . . . 63 THR C . 53480 1 516 . 1 . 1 63 63 THR CA C 13 63.288 0.046 . 1 . . . . . 63 THR CA . 53480 1 517 . 1 . 1 63 63 THR CB C 13 69.463 0.044 . 1 . . . . . 63 THR CB . 53480 1 518 . 1 . 1 63 63 THR CG2 C 13 21.586 0.000 . 1 . . . . . 63 THR CG2 . 53480 1 519 . 1 . 1 63 63 THR N N 15 126.391 0.056 . 1 . . . . . 63 THR N . 53480 1 520 . 1 . 1 64 64 ILE H H 1 8.613 0.002 . 1 . . . . . 64 ILE H . 53480 1 521 . 1 . 1 64 64 ILE HA H 1 4.318 0.016 . 1 . . . . . 64 ILE HA . 53480 1 522 . 1 . 1 64 64 ILE HB H 1 1.676 0.013 . 1 . . . . . 64 ILE HB . 53480 1 523 . 1 . 1 64 64 ILE C C 13 175.966 0.012 . 1 . . . . . 64 ILE C . 53480 1 524 . 1 . 1 64 64 ILE CA C 13 62.457 0.028 . 1 . . . . . 64 ILE CA . 53480 1 525 . 1 . 1 64 64 ILE CB C 13 37.260 0.065 . 1 . . . . . 64 ILE CB . 53480 1 526 . 1 . 1 64 64 ILE N N 15 127.098 0.050 . 1 . . . . . 64 ILE N . 53480 1 527 . 1 . 1 65 65 THR H H 1 7.921 0.005 . 1 . . . . . 65 THR H . 53480 1 528 . 1 . 1 65 65 THR HA H 1 5.010 0.004 . 1 . . . . . 65 THR HA . 53480 1 529 . 1 . 1 65 65 THR HB H 1 4.134 0.000 . 1 . . . . . 65 THR HB . 53480 1 530 . 1 . 1 65 65 THR C C 13 173.487 0.000 . 1 . . . . . 65 THR C . 53480 1 531 . 1 . 1 65 65 THR CA C 13 58.479 0.015 . 1 . . . . . 65 THR CA . 53480 1 532 . 1 . 1 65 65 THR CB C 13 69.334 0.000 . 1 . . . . . 65 THR CB . 53480 1 533 . 1 . 1 65 65 THR N N 15 120.286 0.027 . 1 . . . . . 65 THR N . 53480 1 534 . 1 . 1 67 67 ASN C C 13 175.388 0.018 . 1 . . . . . 67 ASN C . 53480 1 535 . 1 . 1 67 67 ASN CA C 13 52.769 0.020 . 1 . . . . . 67 ASN CA . 53480 1 536 . 1 . 1 67 67 ASN CB C 13 38.540 0.084 . 1 . . . . . 67 ASN CB . 53480 1 537 . 1 . 1 68 68 MET H H 1 7.519 0.003 . 1 . . . . . 68 MET H . 53480 1 538 . 1 . 1 68 68 MET HA H 1 4.701 0.000 . 1 . . . . . 68 MET HA . 53480 1 539 . 1 . 1 68 68 MET HB2 H 1 2.307 0.033 . 2 . . . . . 68 MET HB2 . 53480 1 540 . 1 . 1 68 68 MET HB3 H 1 2.289 0.003 . 2 . . . . . 68 MET HB3 . 53480 1 541 . 1 . 1 68 68 MET C C 13 175.373 0.000 . 1 . . . . . 68 MET C . 53480 1 542 . 1 . 1 68 68 MET CA C 13 57.138 0.041 . 1 . . . . . 68 MET CA . 53480 1 543 . 1 . 1 68 68 MET CB C 13 36.208 0.029 . 1 . . . . . 68 MET CB . 53480 1 544 . 1 . 1 68 68 MET N N 15 121.531 0.027 . 1 . . . . . 68 MET N . 53480 1 545 . 1 . 1 69 69 THR H H 1 8.724 0.004 . 1 . . . . . 69 THR H . 53480 1 546 . 1 . 1 69 69 THR HA H 1 4.536 0.010 . 1 . . . . . 69 THR HA . 53480 1 547 . 1 . 1 69 69 THR HB H 1 3.898 0.019 . 1 . . . . . 69 THR HB . 53480 1 548 . 1 . 1 69 69 THR HG21 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1 549 . 1 . 1 69 69 THR HG22 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1 550 . 1 . 1 69 69 THR HG23 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1 551 . 1 . 1 69 69 THR C C 13 171.889 0.001 . 1 . . . . . 69 THR C . 53480 1 552 . 1 . 1 69 69 THR CA C 13 61.774 0.054 . 1 . . . . . 69 THR CA . 53480 1 553 . 1 . 1 69 69 THR CB C 13 72.205 0.082 . 1 . . . . . 69 THR CB . 53480 1 554 . 1 . 1 69 69 THR CG2 C 13 21.427 0.064 . 1 . . . . . 69 THR CG2 . 53480 1 555 . 1 . 1 69 69 THR N N 15 115.560 0.056 . 1 . . . . . 69 THR N . 53480 1 556 . 1 . 1 70 70 PHE H H 1 8.498 0.004 . 1 . . . . . 70 PHE H . 53480 1 557 . 1 . 1 70 70 PHE HA H 1 4.885 0.002 . 1 . . . . . 70 PHE HA . 53480 1 558 . 1 . 1 70 70 PHE HB2 H 1 2.506 0.001 . 2 . . . . . 70 PHE HB2 . 53480 1 559 . 1 . 1 70 70 PHE HB3 H 1 0.872 0.020 . 2 . . . . . 70 PHE HB3 . 53480 1 560 . 1 . 1 70 70 PHE C C 13 174.972 0.006 . 1 . . . . . 70 PHE C . 53480 1 561 . 1 . 1 70 70 PHE CA C 13 56.621 0.076 . 1 . . . . . 70 PHE CA . 53480 1 562 . 1 . 1 70 70 PHE CB C 13 38.684 0.036 . 1 . . . . . 70 PHE CB . 53480 1 563 . 1 . 1 70 70 PHE N N 15 129.225 0.049 . 1 . . . . . 70 PHE N . 53480 1 564 . 1 . 1 71 71 THR H H 1 8.821 0.004 . 1 . . . . . 71 THR H . 53480 1 565 . 1 . 1 71 71 THR HA H 1 4.341 0.003 . 1 . . . . . 71 THR HA . 53480 1 566 . 1 . 1 71 71 THR HB H 1 3.679 0.005 . 1 . . . . . 71 THR HB . 53480 1 567 . 1 . 1 71 71 THR HG21 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1 568 . 1 . 1 71 71 THR HG22 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1 569 . 1 . 1 71 71 THR HG23 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1 570 . 1 . 1 71 71 THR C C 13 172.846 0.008 . 1 . . . . . 71 THR C . 53480 1 571 . 1 . 1 71 71 THR CA C 13 60.998 0.057 . 1 . . . . . 71 THR CA . 53480 1 572 . 1 . 1 71 71 THR CB C 13 70.662 0.052 . 1 . . . . . 71 THR CB . 53480 1 573 . 1 . 1 71 71 THR CG2 C 13 21.556 0.016 . 1 . . . . . 71 THR CG2 . 53480 1 574 . 1 . 1 71 71 THR N N 15 124.900 0.053 . 1 . . . . . 71 THR N . 53480 1 575 . 1 . 1 72 72 LYS H H 1 8.728 0.001 . 1 . . . . . 72 LYS H . 53480 1 576 . 1 . 1 72 72 LYS HA H 1 4.477 0.000 . 1 . . . . . 72 LYS HA . 53480 1 577 . 1 . 1 72 72 LYS C C 13 175.860 0.000 . 1 . . . . . 72 LYS C . 53480 1 578 . 1 . 1 72 72 LYS CA C 13 56.125 0.082 . 1 . . . . . 72 LYS CA . 53480 1 579 . 1 . 1 72 72 LYS CB C 13 31.984 0.051 . 1 . . . . . 72 LYS CB . 53480 1 580 . 1 . 1 72 72 LYS CG C 13 24.722 0.000 . 1 . . . . . 72 LYS CG . 53480 1 581 . 1 . 1 72 72 LYS N N 15 126.662 0.001 . 1 . . . . . 72 LYS N . 53480 1 582 . 1 . 1 73 73 THR H H 1 8.552 0.003 . 1 . . . . . 73 THR H . 53480 1 583 . 1 . 1 73 73 THR HA H 1 4.248 0.006 . 1 . . . . . 73 THR HA . 53480 1 584 . 1 . 1 73 73 THR C C 13 174.194 0.022 . 1 . . . . . 73 THR C . 53480 1 585 . 1 . 1 73 73 THR CA C 13 63.511 0.062 . 1 . . . . . 73 THR CA . 53480 1 586 . 1 . 1 73 73 THR CB C 13 69.306 0.089 . 1 . . . . . 73 THR CB . 53480 1 587 . 1 . 1 73 73 THR CG2 C 13 22.199 0.000 . 1 . . . . . 73 THR CG2 . 53480 1 588 . 1 . 1 73 73 THR N N 15 121.176 0.072 . 1 . . . . . 73 THR N . 53480 1 589 . 1 . 1 74 74 SER H H 1 8.445 0.003 . 1 . . . . . 74 SER H . 53480 1 590 . 1 . 1 74 74 SER HA H 1 4.522 0.003 . 1 . . . . . 74 SER HA . 53480 1 591 . 1 . 1 74 74 SER HB2 H 1 4.058 0.010 . 2 . . . . . 74 SER HB2 . 53480 1 592 . 1 . 1 74 74 SER HB3 H 1 3.852 0.004 . 2 . . . . . 74 SER HB3 . 53480 1 593 . 1 . 1 74 74 SER C C 13 173.730 0.000 . 1 . . . . . 74 SER C . 53480 1 594 . 1 . 1 74 74 SER CA C 13 57.300 0.028 . 1 . . . . . 74 SER CA . 53480 1 595 . 1 . 1 74 74 SER CB C 13 63.615 0.030 . 1 . . . . . 74 SER CB . 53480 1 596 . 1 . 1 74 74 SER N N 15 115.961 0.039 . 1 . . . . . 74 SER N . 53480 1 597 . 1 . 1 76 76 LYS C C 13 174.072 0.000 . 1 . . . . . 76 LYS C . 53480 1 598 . 1 . 1 76 76 LYS CA C 13 55.476 0.006 . 1 . . . . . 76 LYS CA . 53480 1 599 . 1 . 1 77 77 PHE H H 1 7.402 0.003 . 1 . . . . . 77 PHE H . 53480 1 600 . 1 . 1 77 77 PHE HA H 1 5.968 0.002 . 1 . . . . . 77 PHE HA . 53480 1 601 . 1 . 1 77 77 PHE HB2 H 1 2.956 0.001 . 2 . . . . . 77 PHE HB2 . 53480 1 602 . 1 . 1 77 77 PHE HB3 H 1 2.790 0.009 . 2 . . . . . 77 PHE HB3 . 53480 1 603 . 1 . 1 77 77 PHE C C 13 174.316 0.002 . 1 . . . . . 77 PHE C . 53480 1 604 . 1 . 1 77 77 PHE CA C 13 56.385 0.055 . 1 . . . . . 77 PHE CA . 53480 1 605 . 1 . 1 77 77 PHE CB C 13 43.792 0.032 . 1 . . . . . 77 PHE CB . 53480 1 606 . 1 . 1 77 77 PHE N N 15 123.662 0.052 . 1 . . . . . 77 PHE N . 53480 1 607 . 1 . 1 78 78 GLY H H 1 7.994 0.003 . 1 . . . . . 78 GLY H . 53480 1 608 . 1 . 1 78 78 GLY HA2 H 1 4.803 0.002 . 2 . . . . . 78 GLY HA2 . 53480 1 609 . 1 . 1 78 78 GLY HA3 H 1 3.501 0.003 . 2 . . . . . 78 GLY HA3 . 53480 1 610 . 1 . 1 78 78 GLY C C 13 169.609 0.000 . 1 . . . . . 78 GLY C . 53480 1 611 . 1 . 1 78 78 GLY CA C 13 45.386 0.048 . 1 . . . . . 78 GLY CA . 53480 1 612 . 1 . 1 78 78 GLY N N 15 112.553 0.036 . 1 . . . . . 78 GLY N . 53480 1 613 . 1 . 1 79 79 GLN H H 1 7.960 0.005 . 1 . . . . . 79 GLN H . 53480 1 614 . 1 . 1 79 79 GLN HA H 1 5.801 0.002 . 1 . . . . . 79 GLN HA . 53480 1 615 . 1 . 1 79 79 GLN C C 13 173.670 0.011 . 1 . . . . . 79 GLN C . 53480 1 616 . 1 . 1 79 79 GLN CA C 13 53.629 0.021 . 1 . . . . . 79 GLN CA . 53480 1 617 . 1 . 1 79 79 GLN CB C 13 35.510 0.040 . 1 . . . . . 79 GLN CB . 53480 1 618 . 1 . 1 79 79 GLN N N 15 113.414 0.038 . 1 . . . . . 79 GLN N . 53480 1 619 . 1 . 1 80 80 TRP H H 1 8.950 0.005 . 1 . . . . . 80 TRP H . 53480 1 620 . 1 . 1 80 80 TRP HA H 1 5.217 0.003 . 1 . . . . . 80 TRP HA . 53480 1 621 . 1 . 1 80 80 TRP HB2 H 1 3.326 0.003 . 2 . . . . . 80 TRP HB2 . 53480 1 622 . 1 . 1 80 80 TRP HB3 H 1 2.527 0.023 . 2 . . . . . 80 TRP HB3 . 53480 1 623 . 1 . 1 80 80 TRP C C 13 171.843 0.008 . 1 . . . . . 80 TRP C . 53480 1 624 . 1 . 1 80 80 TRP CA C 13 58.150 0.066 . 1 . . . . . 80 TRP CA . 53480 1 625 . 1 . 1 80 80 TRP CB C 13 34.618 0.022 . 1 . . . . . 80 TRP CB . 53480 1 626 . 1 . 1 80 80 TRP N N 15 119.196 0.026 . 1 . . . . . 80 TRP N . 53480 1 627 . 1 . 1 81 81 ALA H H 1 8.563 0.005 . 1 . . . . . 81 ALA H . 53480 1 628 . 1 . 1 81 81 ALA HA H 1 4.744 0.003 . 1 . . . . . 81 ALA HA . 53480 1 629 . 1 . 1 81 81 ALA HB1 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1 630 . 1 . 1 81 81 ALA HB2 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1 631 . 1 . 1 81 81 ALA HB3 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1 632 . 1 . 1 81 81 ALA C C 13 177.216 0.010 . 1 . . . . . 81 ALA C . 53480 1 633 . 1 . 1 81 81 ALA CA C 13 51.105 0.065 . 1 . . . . . 81 ALA CA . 53480 1 634 . 1 . 1 81 81 ALA CB C 13 20.393 0.043 . 1 . . . . . 81 ALA CB . 53480 1 635 . 1 . 1 81 81 ALA N N 15 122.504 0.031 . 1 . . . . . 81 ALA N . 53480 1 636 . 1 . 1 82 82 ASP H H 1 8.458 0.004 . 1 . . . . . 82 ASP H . 53480 1 637 . 1 . 1 82 82 ASP HA H 1 5.122 0.001 . 1 . . . . . 82 ASP HA . 53480 1 638 . 1 . 1 82 82 ASP HB2 H 1 3.005 0.003 . 2 . . . . . 82 ASP HB2 . 53480 1 639 . 1 . 1 82 82 ASP HB3 H 1 2.539 0.015 . 2 . . . . . 82 ASP HB3 . 53480 1 640 . 1 . 1 82 82 ASP CA C 13 52.805 0.086 . 1 . . . . . 82 ASP CA . 53480 1 641 . 1 . 1 82 82 ASP CB C 13 43.920 0.039 . 1 . . . . . 82 ASP CB . 53480 1 642 . 1 . 1 82 82 ASP N N 15 122.125 0.038 . 1 . . . . . 82 ASP N . 53480 1 643 . 1 . 1 83 83 SER C C 13 176.585 0.000 . 1 . . . . . 83 SER C . 53480 1 644 . 1 . 1 83 83 SER CA C 13 60.957 0.052 . 1 . . . . . 83 SER CA . 53480 1 645 . 1 . 1 83 83 SER CB C 13 62.998 0.084 . 1 . . . . . 83 SER CB . 53480 1 646 . 1 . 1 84 84 ARG H H 1 8.394 0.005 . 1 . . . . . 84 ARG H . 53480 1 647 . 1 . 1 84 84 ARG HA H 1 4.179 0.002 . 1 . . . . . 84 ARG HA . 53480 1 648 . 1 . 1 84 84 ARG HB2 H 1 2.029 0.010 . 2 . . . . . 84 ARG HB2 . 53480 1 649 . 1 . 1 84 84 ARG HB3 H 1 2.036 0.001 . 2 . . . . . 84 ARG HB3 . 53480 1 650 . 1 . 1 84 84 ARG C C 13 177.767 0.000 . 1 . . . . . 84 ARG C . 53480 1 651 . 1 . 1 84 84 ARG CA C 13 58.574 0.034 . 1 . . . . . 84 ARG CA . 53480 1 652 . 1 . 1 84 84 ARG CB C 13 29.564 0.049 . 1 . . . . . 84 ARG CB . 53480 1 653 . 1 . 1 84 84 ARG CG C 13 27.200 0.000 . 1 . . . . . 84 ARG CG . 53480 1 654 . 1 . 1 84 84 ARG CD C 13 43.024 0.000 . 1 . . . . . 84 ARG CD . 53480 1 655 . 1 . 1 84 84 ARG N N 15 124.097 0.052 . 1 . . . . . 84 ARG N . 53480 1 656 . 1 . 1 85 85 ALA H H 1 7.902 0.005 . 1 . . . . . 85 ALA H . 53480 1 657 . 1 . 1 85 85 ALA HA H 1 4.285 0.002 . 1 . . . . . 85 ALA HA . 53480 1 658 . 1 . 1 85 85 ALA HB1 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1 659 . 1 . 1 85 85 ALA HB2 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1 660 . 1 . 1 85 85 ALA HB3 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1 661 . 1 . 1 85 85 ALA C C 13 176.816 0.004 . 1 . . . . . 85 ALA C . 53480 1 662 . 1 . 1 85 85 ALA CA C 13 51.690 0.035 . 1 . . . . . 85 ALA CA . 53480 1 663 . 1 . 1 85 85 ALA CB C 13 19.466 0.069 . 1 . . . . . 85 ALA CB . 53480 1 664 . 1 . 1 85 85 ALA N N 15 120.417 0.035 . 1 . . . . . 85 ALA N . 53480 1 665 . 1 . 1 86 86 ASN H H 1 7.910 0.003 . 1 . . . . . 86 ASN H . 53480 1 666 . 1 . 1 86 86 ASN HA H 1 4.274 0.003 . 1 . . . . . 86 ASN HA . 53480 1 667 . 1 . 1 86 86 ASN HB2 H 1 3.123 0.005 . 2 . . . . . 86 ASN HB2 . 53480 1 668 . 1 . 1 86 86 ASN HB3 H 1 2.489 0.003 . 2 . . . . . 86 ASN HB3 . 53480 1 669 . 1 . 1 86 86 ASN C C 13 173.668 0.015 . 1 . . . . . 86 ASN C . 53480 1 670 . 1 . 1 86 86 ASN CA C 13 53.431 0.048 . 1 . . . . . 86 ASN CA . 53480 1 671 . 1 . 1 86 86 ASN CB C 13 37.075 0.011 . 1 . . . . . 86 ASN CB . 53480 1 672 . 1 . 1 86 86 ASN N N 15 116.614 0.026 . 1 . . . . . 86 ASN N . 53480 1 673 . 1 . 1 87 87 THR H H 1 7.661 0.003 . 1 . . . . . 87 THR H . 53480 1 674 . 1 . 1 87 87 THR HA H 1 4.413 0.003 . 1 . . . . . 87 THR HA . 53480 1 675 . 1 . 1 87 87 THR HB H 1 3.595 0.005 . 1 . . . . . 87 THR HB . 53480 1 676 . 1 . 1 87 87 THR HG21 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1 677 . 1 . 1 87 87 THR HG22 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1 678 . 1 . 1 87 87 THR HG23 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1 679 . 1 . 1 87 87 THR C C 13 172.063 0.008 . 1 . . . . . 87 THR C . 53480 1 680 . 1 . 1 87 87 THR CA C 13 60.131 0.051 . 1 . . . . . 87 THR CA . 53480 1 681 . 1 . 1 87 87 THR CB C 13 69.978 0.043 . 1 . . . . . 87 THR CB . 53480 1 682 . 1 . 1 87 87 THR CG2 C 13 18.016 0.038 . 1 . . . . . 87 THR CG2 . 53480 1 683 . 1 . 1 87 87 THR N N 15 110.071 0.018 . 1 . . . . . 87 THR N . 53480 1 684 . 1 . 1 88 88 VAL H H 1 7.816 0.004 . 1 . . . . . 88 VAL H . 53480 1 685 . 1 . 1 88 88 VAL HA H 1 4.267 0.002 . 1 . . . . . 88 VAL HA . 53480 1 686 . 1 . 1 88 88 VAL HB H 1 1.549 0.004 . 1 . . . . . 88 VAL HB . 53480 1 687 . 1 . 1 88 88 VAL HG11 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1 688 . 1 . 1 88 88 VAL HG12 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1 689 . 1 . 1 88 88 VAL HG13 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1 690 . 1 . 1 88 88 VAL HG21 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1 691 . 1 . 1 88 88 VAL HG22 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1 692 . 1 . 1 88 88 VAL HG23 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1 693 . 1 . 1 88 88 VAL C C 13 174.499 0.012 . 1 . . . . . 88 VAL C . 53480 1 694 . 1 . 1 88 88 VAL CA C 13 61.556 0.065 . 1 . . . . . 88 VAL CA . 53480 1 695 . 1 . 1 88 88 VAL CB C 13 34.054 0.080 . 1 . . . . . 88 VAL CB . 53480 1 696 . 1 . 1 88 88 VAL CG1 C 13 20.929 0.070 . 2 . . . . . 88 VAL CG1 . 53480 1 697 . 1 . 1 88 88 VAL CG2 C 13 20.929 0.070 . 2 . . . . . 88 VAL CG2 . 53480 1 698 . 1 . 1 88 88 VAL N N 15 124.645 0.023 . 1 . . . . . 88 VAL N . 53480 1 699 . 1 . 1 89 89 TYR H H 1 8.272 0.004 . 1 . . . . . 89 TYR H . 53480 1 700 . 1 . 1 89 89 TYR HA H 1 4.871 0.001 . 1 . . . . . 89 TYR HA . 53480 1 701 . 1 . 1 89 89 TYR HB2 H 1 1.976 0.008 . 2 . . . . . 89 TYR HB2 . 53480 1 702 . 1 . 1 89 89 TYR HB3 H 1 0.673 0.001 . 2 . . . . . 89 TYR HB3 . 53480 1 703 . 1 . 1 89 89 TYR C C 13 174.176 0.005 . 1 . . . . . 89 TYR C . 53480 1 704 . 1 . 1 89 89 TYR CA C 13 57.509 0.081 . 1 . . . . . 89 TYR CA . 53480 1 705 . 1 . 1 89 89 TYR CB C 13 39.945 0.061 . 1 . . . . . 89 TYR CB . 53480 1 706 . 1 . 1 89 89 TYR N N 15 125.402 0.029 . 1 . . . . . 89 TYR N . 53480 1 707 . 1 . 1 90 90 GLY H H 1 8.631 0.004 . 1 . . . . . 90 GLY H . 53480 1 708 . 1 . 1 90 90 GLY HA2 H 1 4.509 0.001 . 2 . . . . . 90 GLY HA2 . 53480 1 709 . 1 . 1 90 90 GLY HA3 H 1 2.418 0.020 . 2 . . . . . 90 GLY HA3 . 53480 1 710 . 1 . 1 90 90 GLY C C 13 170.906 0.013 . 1 . . . . . 90 GLY C . 53480 1 711 . 1 . 1 90 90 GLY CA C 13 44.099 0.046 . 1 . . . . . 90 GLY CA . 53480 1 712 . 1 . 1 90 90 GLY N N 15 107.810 0.058 . 1 . . . . . 90 GLY N . 53480 1 713 . 1 . 1 91 91 LEU H H 1 8.260 0.004 . 1 . . . . . 91 LEU H . 53480 1 714 . 1 . 1 91 91 LEU HA H 1 5.104 0.002 . 1 . . . . . 91 LEU HA . 53480 1 715 . 1 . 1 91 91 LEU HB2 H 1 1.207 0.008 . 2 . . . . . 91 LEU HB2 . 53480 1 716 . 1 . 1 91 91 LEU HB3 H 1 0.117 0.004 . 2 . . . . . 91 LEU HB3 . 53480 1 717 . 1 . 1 91 91 LEU C C 13 173.671 0.005 . 1 . . . . . 91 LEU C . 53480 1 718 . 1 . 1 91 91 LEU CA C 13 52.159 0.057 . 1 . . . . . 91 LEU CA . 53480 1 719 . 1 . 1 91 91 LEU CB C 13 46.104 0.046 . 1 . . . . . 91 LEU CB . 53480 1 720 . 1 . 1 91 91 LEU N N 15 121.742 0.041 . 1 . . . . . 91 LEU N . 53480 1 721 . 1 . 1 92 92 GLY H H 1 9.049 0.004 . 1 . . . . . 92 GLY H . 53480 1 722 . 1 . 1 92 92 GLY HA2 H 1 4.930 0.007 . 2 . . . . . 92 GLY HA2 . 53480 1 723 . 1 . 1 92 92 GLY HA3 H 1 3.637 0.003 . 2 . . . . . 92 GLY HA3 . 53480 1 724 . 1 . 1 92 92 GLY C C 13 174.348 0.000 . 1 . . . . . 92 GLY C . 53480 1 725 . 1 . 1 92 92 GLY CA C 13 44.784 0.084 . 1 . . . . . 92 GLY CA . 53480 1 726 . 1 . 1 92 92 GLY N N 15 106.165 0.073 . 1 . . . . . 92 GLY N . 53480 1 727 . 1 . 1 93 93 PHE H H 1 9.258 0.002 . 1 . . . . . 93 PHE H . 53480 1 728 . 1 . 1 93 93 PHE HA H 1 4.707 0.000 . 1 . . . . . 93 PHE HA . 53480 1 729 . 1 . 1 93 93 PHE HB2 H 1 3.497 0.022 . 2 . . . . . 93 PHE HB2 . 53480 1 730 . 1 . 1 93 93 PHE HB3 H 1 2.786 0.001 . 2 . . . . . 93 PHE HB3 . 53480 1 731 . 1 . 1 93 93 PHE C C 13 176.070 0.000 . 1 . . . . . 93 PHE C . 53480 1 732 . 1 . 1 93 93 PHE CA C 13 57.917 0.040 . 1 . . . . . 93 PHE CA . 53480 1 733 . 1 . 1 93 93 PHE CB C 13 42.422 0.027 . 1 . . . . . 93 PHE CB . 53480 1 734 . 1 . 1 93 93 PHE N N 15 124.633 0.050 . 1 . . . . . 93 PHE N . 53480 1 735 . 1 . 1 94 94 SER C C 13 174.885 0.000 . 1 . . . . . 94 SER C . 53480 1 736 . 1 . 1 94 94 SER CA C 13 60.132 0.030 . 1 . . . . . 94 SER CA . 53480 1 737 . 1 . 1 94 94 SER CB C 13 63.475 0.015 . 1 . . . . . 94 SER CB . 53480 1 738 . 1 . 1 95 95 SER H H 1 7.473 0.001 . 1 . . . . . 95 SER H . 53480 1 739 . 1 . 1 95 95 SER HA H 1 4.647 0.002 . 1 . . . . . 95 SER HA . 53480 1 740 . 1 . 1 95 95 SER HB2 H 1 3.920 0.002 . 2 . . . . . 95 SER HB2 . 53480 1 741 . 1 . 1 95 95 SER HB3 H 1 3.819 0.003 . 2 . . . . . 95 SER HB3 . 53480 1 742 . 1 . 1 95 95 SER C C 13 173.775 0.000 . 1 . . . . . 95 SER C . 53480 1 743 . 1 . 1 95 95 SER CA C 13 56.719 0.059 . 1 . . . . . 95 SER CA . 53480 1 744 . 1 . 1 95 95 SER CB C 13 66.185 0.068 . 1 . . . . . 95 SER CB . 53480 1 745 . 1 . 1 95 95 SER N N 15 112.274 0.097 . 1 . . . . . 95 SER N . 53480 1 746 . 1 . 1 97 97 HIS C C 13 177.567 0.011 . 1 . . . . . 97 HIS C . 53480 1 747 . 1 . 1 97 97 HIS CA C 13 59.733 0.082 . 1 . . . . . 97 HIS CA . 53480 1 748 . 1 . 1 97 97 HIS CB C 13 30.161 0.067 . 1 . . . . . 97 HIS CB . 53480 1 749 . 1 . 1 98 98 HIS H H 1 7.421 0.005 . 1 . . . . . 98 HIS H . 53480 1 750 . 1 . 1 98 98 HIS HA H 1 4.286 0.004 . 1 . . . . . 98 HIS HA . 53480 1 751 . 1 . 1 98 98 HIS HB2 H 1 3.384 0.002 . 2 . . . . . 98 HIS HB2 . 53480 1 752 . 1 . 1 98 98 HIS HB3 H 1 3.193 0.000 . 2 . . . . . 98 HIS HB3 . 53480 1 753 . 1 . 1 98 98 HIS C C 13 178.294 0.015 . 1 . . . . . 98 HIS C . 53480 1 754 . 1 . 1 98 98 HIS CA C 13 59.466 0.054 . 1 . . . . . 98 HIS CA . 53480 1 755 . 1 . 1 98 98 HIS CB C 13 31.995 0.047 . 1 . . . . . 98 HIS CB . 53480 1 756 . 1 . 1 98 98 HIS N N 15 117.110 0.037 . 1 . . . . . 98 HIS N . 53480 1 757 . 1 . 1 99 99 LEU H H 1 6.921 0.002 . 1 . . . . . 99 LEU H . 53480 1 758 . 1 . 1 99 99 LEU HA H 1 2.409 0.006 . 1 . . . . . 99 LEU HA . 53480 1 759 . 1 . 1 99 99 LEU HB2 H 1 1.960 0.013 . 2 . . . . . 99 LEU HB2 . 53480 1 760 . 1 . 1 99 99 LEU HB3 H 1 1.068 0.005 . 2 . . . . . 99 LEU HB3 . 53480 1 761 . 1 . 1 99 99 LEU C C 13 177.753 0.004 . 1 . . . . . 99 LEU C . 53480 1 762 . 1 . 1 99 99 LEU CA C 13 58.305 0.040 . 1 . . . . . 99 LEU CA . 53480 1 763 . 1 . 1 99 99 LEU CB C 13 40.706 0.081 . 1 . . . . . 99 LEU CB . 53480 1 764 . 1 . 1 99 99 LEU N N 15 122.492 0.029 . 1 . . . . . 99 LEU N . 53480 1 765 . 1 . 1 100 100 LEU H H 1 8.205 0.003 . 1 . . . . . 100 LEU H . 53480 1 766 . 1 . 1 100 100 LEU HA H 1 3.773 0.003 . 1 . . . . . 100 LEU HA . 53480 1 767 . 1 . 1 100 100 LEU HB2 H 1 1.738 0.001 . 2 . . . . . 100 LEU HB2 . 53480 1 768 . 1 . 1 100 100 LEU HB3 H 1 1.472 0.001 . 2 . . . . . 100 LEU HB3 . 53480 1 769 . 1 . 1 100 100 LEU C C 13 180.049 0.014 . 1 . . . . . 100 LEU C . 53480 1 770 . 1 . 1 100 100 LEU CA C 13 58.039 0.060 . 1 . . . . . 100 LEU CA . 53480 1 771 . 1 . 1 100 100 LEU CB C 13 41.021 0.035 . 1 . . . . . 100 LEU CB . 53480 1 772 . 1 . 1 100 100 LEU N N 15 118.806 0.069 . 1 . . . . . 100 LEU N . 53480 1 773 . 1 . 1 101 101 LYS H H 1 7.860 0.005 . 1 . . . . . 101 LYS H . 53480 1 774 . 1 . 1 101 101 LYS HA H 1 3.877 0.002 . 1 . . . . . 101 LYS HA . 53480 1 775 . 1 . 1 101 101 LYS HB2 H 1 1.841 0.003 . 2 . . . . . 101 LYS HB2 . 53480 1 776 . 1 . 1 101 101 LYS HB3 H 1 1.778 0.002 . 2 . . . . . 101 LYS HB3 . 53480 1 777 . 1 . 1 101 101 LYS C C 13 178.457 0.003 . 1 . . . . . 101 LYS C . 53480 1 778 . 1 . 1 101 101 LYS CA C 13 57.666 0.040 . 1 . . . . . 101 LYS CA . 53480 1 779 . 1 . 1 101 101 LYS CB C 13 31.318 0.025 . 1 . . . . . 101 LYS CB . 53480 1 780 . 1 . 1 101 101 LYS CG C 13 24.073 0.000 . 1 . . . . . 101 LYS CG . 53480 1 781 . 1 . 1 101 101 LYS N N 15 118.143 0.058 . 1 . . . . . 101 LYS N . 53480 1 782 . 1 . 1 102 102 PHE H H 1 7.787 0.005 . 1 . . . . . 102 PHE H . 53480 1 783 . 1 . 1 102 102 PHE HA H 1 3.646 0.004 . 1 . . . . . 102 PHE HA . 53480 1 784 . 1 . 1 102 102 PHE HB2 H 1 3.096 0.005 . 2 . . . . . 102 PHE HB2 . 53480 1 785 . 1 . 1 102 102 PHE HB3 H 1 2.887 0.005 . 2 . . . . . 102 PHE HB3 . 53480 1 786 . 1 . 1 102 102 PHE C C 13 177.841 0.013 . 1 . . . . . 102 PHE C . 53480 1 787 . 1 . 1 102 102 PHE CA C 13 62.927 0.041 . 1 . . . . . 102 PHE CA . 53480 1 788 . 1 . 1 102 102 PHE CB C 13 40.175 0.062 . 1 . . . . . 102 PHE CB . 53480 1 789 . 1 . 1 102 102 PHE N N 15 120.131 0.030 . 1 . . . . . 102 PHE N . 53480 1 790 . 1 . 1 103 103 ALA H H 1 8.569 0.003 . 1 . . . . . 103 ALA H . 53480 1 791 . 1 . 1 103 103 ALA HA H 1 3.329 0.002 . 1 . . . . . 103 ALA HA . 53480 1 792 . 1 . 1 103 103 ALA HB1 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1 793 . 1 . 1 103 103 ALA HB2 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1 794 . 1 . 1 103 103 ALA HB3 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1 795 . 1 . 1 103 103 ALA C C 13 179.567 0.007 . 1 . . . . . 103 ALA C . 53480 1 796 . 1 . 1 103 103 ALA CA C 13 54.521 0.049 . 1 . . . . . 103 ALA CA . 53480 1 797 . 1 . 1 103 103 ALA CB C 13 18.534 0.033 . 1 . . . . . 103 ALA CB . 53480 1 798 . 1 . 1 103 103 ALA N N 15 122.005 0.043 . 1 . . . . . 103 ALA N . 53480 1 799 . 1 . 1 104 104 GLU H H 1 8.051 0.005 . 1 . . . . . 104 GLU H . 53480 1 800 . 1 . 1 104 104 GLU HA H 1 3.769 0.004 . 1 . . . . . 104 GLU HA . 53480 1 801 . 1 . 1 104 104 GLU HB2 H 1 1.932 0.003 . 2 . . . . . 104 GLU HB2 . 53480 1 802 . 1 . 1 104 104 GLU HB3 H 1 1.809 0.005 . 2 . . . . . 104 GLU HB3 . 53480 1 803 . 1 . 1 104 104 GLU C C 13 179.453 0.010 . 1 . . . . . 104 GLU C . 53480 1 804 . 1 . 1 104 104 GLU CA C 13 59.015 0.020 . 1 . . . . . 104 GLU CA . 53480 1 805 . 1 . 1 104 104 GLU CB C 13 29.734 0.051 . 1 . . . . . 104 GLU CB . 53480 1 806 . 1 . 1 104 104 GLU CG C 13 36.237 0.000 . 1 . . . . . 104 GLU CG . 53480 1 807 . 1 . 1 104 104 GLU N N 15 120.062 0.039 . 1 . . . . . 104 GLU N . 53480 1 808 . 1 . 1 105 105 LYS H H 1 6.959 0.004 . 1 . . . . . 105 LYS H . 53480 1 809 . 1 . 1 105 105 LYS HA H 1 3.047 0.003 . 1 . . . . . 105 LYS HA . 53480 1 810 . 1 . 1 105 105 LYS C C 13 175.428 0.008 . 1 . . . . . 105 LYS C . 53480 1 811 . 1 . 1 105 105 LYS CA C 13 56.122 0.056 . 1 . . . . . 105 LYS CA . 53480 1 812 . 1 . 1 105 105 LYS CB C 13 29.727 0.002 . 1 . . . . . 105 LYS CB . 53480 1 813 . 1 . 1 105 105 LYS CG C 13 22.593 0.000 . 1 . . . . . 105 LYS CG . 53480 1 814 . 1 . 1 105 105 LYS N N 15 118.763 0.031 . 1 . . . . . 105 LYS N . 53480 1 815 . 1 . 1 106 106 PHE H H 1 7.376 0.004 . 1 . . . . . 106 PHE H . 53480 1 816 . 1 . 1 106 106 PHE HA H 1 3.185 0.002 . 1 . . . . . 106 PHE HA . 53480 1 817 . 1 . 1 106 106 PHE HB2 H 1 2.831 0.007 . 2 . . . . . 106 PHE HB2 . 53480 1 818 . 1 . 1 106 106 PHE HB3 H 1 2.383 0.002 . 2 . . . . . 106 PHE HB3 . 53480 1 819 . 1 . 1 106 106 PHE C C 13 177.674 0.017 . 1 . . . . . 106 PHE C . 53480 1 820 . 1 . 1 106 106 PHE CA C 13 61.677 0.042 . 1 . . . . . 106 PHE CA . 53480 1 821 . 1 . 1 106 106 PHE CB C 13 38.621 0.041 . 1 . . . . . 106 PHE CB . 53480 1 822 . 1 . 1 106 106 PHE N N 15 120.994 0.037 . 1 . . . . . 106 PHE N . 53480 1 823 . 1 . 1 107 107 GLN H H 1 7.487 0.005 . 1 . . . . . 107 GLN H . 53480 1 824 . 1 . 1 107 107 GLN HA H 1 3.918 0.003 . 1 . . . . . 107 GLN HA . 53480 1 825 . 1 . 1 107 107 GLN HB2 H 1 2.178 0.006 . 2 . . . . . 107 GLN HB2 . 53480 1 826 . 1 . 1 107 107 GLN HB3 H 1 1.968 0.003 . 2 . . . . . 107 GLN HB3 . 53480 1 827 . 1 . 1 107 107 GLN HG2 H 1 2.441 0.005 . 2 . . . . . 107 GLN HG2 . 53480 1 828 . 1 . 1 107 107 GLN HG3 H 1 2.375 0.008 . 2 . . . . . 107 GLN HG3 . 53480 1 829 . 1 . 1 107 107 GLN C C 13 177.817 0.012 . 1 . . . . . 107 GLN C . 53480 1 830 . 1 . 1 107 107 GLN CA C 13 58.354 0.056 . 1 . . . . . 107 GLN CA . 53480 1 831 . 1 . 1 107 107 GLN CB C 13 28.054 0.065 . 1 . . . . . 107 GLN CB . 53480 1 832 . 1 . 1 107 107 GLN CG C 13 33.143 0.026 . 1 . . . . . 107 GLN CG . 53480 1 833 . 1 . 1 107 107 GLN N N 15 114.937 0.031 . 1 . . . . . 107 GLN N . 53480 1 834 . 1 . 1 108 108 GLU H H 1 7.424 0.004 . 1 . . . . . 108 GLU H . 53480 1 835 . 1 . 1 108 108 GLU HA H 1 3.632 0.005 . 1 . . . . . 108 GLU HA . 53480 1 836 . 1 . 1 108 108 GLU HB2 H 1 1.501 0.006 . 2 . . . . . 108 GLU HB2 . 53480 1 837 . 1 . 1 108 108 GLU HB3 H 1 1.243 0.006 . 2 . . . . . 108 GLU HB3 . 53480 1 838 . 1 . 1 108 108 GLU C C 13 179.772 0.009 . 1 . . . . . 108 GLU C . 53480 1 839 . 1 . 1 108 108 GLU CA C 13 58.939 0.035 . 1 . . . . . 108 GLU CA . 53480 1 840 . 1 . 1 108 108 GLU CB C 13 28.976 0.035 . 1 . . . . . 108 GLU CB . 53480 1 841 . 1 . 1 108 108 GLU CG C 13 35.296 0.000 . 1 . . . . . 108 GLU CG . 53480 1 842 . 1 . 1 108 108 GLU N N 15 120.428 0.029 . 1 . . . . . 108 GLU N . 53480 1 843 . 1 . 1 109 109 PHE H H 1 7.844 0.003 . 1 . . . . . 109 PHE H . 53480 1 844 . 1 . 1 109 109 PHE HA H 1 4.038 0.002 . 1 . . . . . 109 PHE HA . 53480 1 845 . 1 . 1 109 109 PHE HB2 H 1 2.329 0.006 . 2 . . . . . 109 PHE HB2 . 53480 1 846 . 1 . 1 109 109 PHE HB3 H 1 2.150 0.013 . 2 . . . . . 109 PHE HB3 . 53480 1 847 . 1 . 1 109 109 PHE C C 13 177.483 0.009 . 1 . . . . . 109 PHE C . 53480 1 848 . 1 . 1 109 109 PHE CA C 13 57.699 0.027 . 1 . . . . . 109 PHE CA . 53480 1 849 . 1 . 1 109 109 PHE CB C 13 36.418 0.039 . 1 . . . . . 109 PHE CB . 53480 1 850 . 1 . 1 109 109 PHE N N 15 119.893 0.042 . 1 . . . . . 109 PHE N . 53480 1 851 . 1 . 1 110 110 LYS H H 1 8.463 0.003 . 1 . . . . . 110 LYS H . 53480 1 852 . 1 . 1 110 110 LYS HA H 1 3.621 0.003 . 1 . . . . . 110 LYS HA . 53480 1 853 . 1 . 1 110 110 LYS HB2 H 1 1.808 0.009 . 2 . . . . . 110 LYS HB2 . 53480 1 854 . 1 . 1 110 110 LYS HB3 H 1 1.745 0.002 . 2 . . . . . 110 LYS HB3 . 53480 1 855 . 1 . 1 110 110 LYS C C 13 178.679 0.006 . 1 . . . . . 110 LYS C . 53480 1 856 . 1 . 1 110 110 LYS CA C 13 60.019 0.074 . 1 . . . . . 110 LYS CA . 53480 1 857 . 1 . 1 110 110 LYS CB C 13 32.297 0.053 . 1 . . . . . 110 LYS CB . 53480 1 858 . 1 . 1 110 110 LYS CG C 13 24.656 0.000 . 1 . . . . . 110 LYS CG . 53480 1 859 . 1 . 1 110 110 LYS N N 15 123.258 0.050 . 1 . . . . . 110 LYS N . 53480 1 860 . 1 . 1 111 111 GLU H H 1 7.715 0.004 . 1 . . . . . 111 GLU H . 53480 1 861 . 1 . 1 111 111 GLU HA H 1 4.247 0.003 . 1 . . . . . 111 GLU HA . 53480 1 862 . 1 . 1 111 111 GLU HB2 H 1 1.992 0.006 . 2 . . . . . 111 GLU HB2 . 53480 1 863 . 1 . 1 111 111 GLU HB3 H 1 1.917 0.005 . 2 . . . . . 111 GLU HB3 . 53480 1 864 . 1 . 1 111 111 GLU HG2 H 1 2.279 0.004 . 2 . . . . . 111 GLU HG2 . 53480 1 865 . 1 . 1 111 111 GLU HG3 H 1 2.279 0.004 . 2 . . . . . 111 GLU HG3 . 53480 1 866 . 1 . 1 111 111 GLU C C 13 178.808 0.006 . 1 . . . . . 111 GLU C . 53480 1 867 . 1 . 1 111 111 GLU CA C 13 58.166 0.036 . 1 . . . . . 111 GLU CA . 53480 1 868 . 1 . 1 111 111 GLU CB C 13 28.798 0.030 . 1 . . . . . 111 GLU CB . 53480 1 869 . 1 . 1 111 111 GLU CG C 13 35.634 0.024 . 1 . . . . . 111 GLU CG . 53480 1 870 . 1 . 1 111 111 GLU N N 15 118.724 0.051 . 1 . . . . . 111 GLU N . 53480 1 871 . 1 . 1 112 112 ALA H H 1 7.850 0.003 . 1 . . . . . 112 ALA H . 53480 1 872 . 1 . 1 112 112 ALA HA H 1 4.066 0.002 . 1 . . . . . 112 ALA HA . 53480 1 873 . 1 . 1 112 112 ALA HB1 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1 874 . 1 . 1 112 112 ALA HB2 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1 875 . 1 . 1 112 112 ALA HB3 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1 876 . 1 . 1 112 112 ALA C C 13 180.805 0.006 . 1 . . . . . 112 ALA C . 53480 1 877 . 1 . 1 112 112 ALA CA C 13 55.032 0.057 . 1 . . . . . 112 ALA CA . 53480 1 878 . 1 . 1 112 112 ALA CB C 13 17.739 0.049 . 1 . . . . . 112 ALA CB . 53480 1 879 . 1 . 1 112 112 ALA N N 15 122.641 0.053 . 1 . . . . . 112 ALA N . 53480 1 880 . 1 . 1 113 113 ALA H H 1 8.321 0.004 . 1 . . . . . 113 ALA H . 53480 1 881 . 1 . 1 113 113 ALA HA H 1 4.313 0.003 . 1 . . . . . 113 ALA HA . 53480 1 882 . 1 . 1 113 113 ALA HB1 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1 883 . 1 . 1 113 113 ALA HB2 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1 884 . 1 . 1 113 113 ALA HB3 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1 885 . 1 . 1 113 113 ALA C C 13 180.023 0.035 . 1 . . . . . 113 ALA C . 53480 1 886 . 1 . 1 113 113 ALA CA C 13 54.423 0.079 . 1 . . . . . 113 ALA CA . 53480 1 887 . 1 . 1 113 113 ALA CB C 13 17.943 0.045 . 1 . . . . . 113 ALA CB . 53480 1 888 . 1 . 1 113 113 ALA N N 15 121.483 0.018 . 1 . . . . . 113 ALA N . 53480 1 889 . 1 . 1 114 114 ARG H H 1 8.081 0.001 . 1 . . . . . 114 ARG H . 53480 1 890 . 1 . 1 114 114 ARG HA H 1 3.891 0.003 . 1 . . . . . 114 ARG HA . 53480 1 891 . 1 . 1 114 114 ARG HB2 H 1 2.140 0.004 . 2 . . . . . 114 ARG HB2 . 53480 1 892 . 1 . 1 114 114 ARG HB3 H 1 2.140 0.004 . 2 . . . . . 114 ARG HB3 . 53480 1 893 . 1 . 1 114 114 ARG C C 13 178.285 0.031 . 1 . . . . . 114 ARG C . 53480 1 894 . 1 . 1 114 114 ARG CA C 13 59.345 0.049 . 1 . . . . . 114 ARG CA . 53480 1 895 . 1 . 1 114 114 ARG CB C 13 30.244 0.049 . 1 . . . . . 114 ARG CB . 53480 1 896 . 1 . 1 114 114 ARG CG C 13 27.293 0.000 . 1 . . . . . 114 ARG CG . 53480 1 897 . 1 . 1 114 114 ARG CD C 13 42.906 0.000 . 1 . . . . . 114 ARG CD . 53480 1 898 . 1 . 1 114 114 ARG N N 15 120.746 0.023 . 1 . . . . . 114 ARG N . 53480 1 899 . 1 . 1 115 115 LEU H H 1 8.133 0.004 . 1 . . . . . 115 LEU H . 53480 1 900 . 1 . 1 115 115 LEU HA H 1 4.050 0.002 . 1 . . . . . 115 LEU HA . 53480 1 901 . 1 . 1 115 115 LEU HB2 H 1 1.737 0.002 . 2 . . . . . 115 LEU HB2 . 53480 1 902 . 1 . 1 115 115 LEU HB3 H 1 1.533 0.005 . 2 . . . . . 115 LEU HB3 . 53480 1 903 . 1 . 1 115 115 LEU C C 13 178.645 0.008 . 1 . . . . . 115 LEU C . 53480 1 904 . 1 . 1 115 115 LEU CA C 13 56.815 0.027 . 1 . . . . . 115 LEU CA . 53480 1 905 . 1 . 1 115 115 LEU CB C 13 41.901 0.065 . 1 . . . . . 115 LEU CB . 53480 1 906 . 1 . 1 115 115 LEU N N 15 119.939 0.035 . 1 . . . . . 115 LEU N . 53480 1 907 . 1 . 1 116 116 ALA H H 1 7.881 0.002 . 1 . . . . . 116 ALA H . 53480 1 908 . 1 . 1 116 116 ALA HA H 1 4.161 0.003 . 1 . . . . . 116 ALA HA . 53480 1 909 . 1 . 1 116 116 ALA HB1 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1 910 . 1 . 1 116 116 ALA HB2 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1 911 . 1 . 1 116 116 ALA HB3 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1 912 . 1 . 1 116 116 ALA C C 13 179.011 0.005 . 1 . . . . . 116 ALA C . 53480 1 913 . 1 . 1 116 116 ALA CA C 13 53.892 0.028 . 1 . . . . . 116 ALA CA . 53480 1 914 . 1 . 1 116 116 ALA CB C 13 18.538 0.026 . 1 . . . . . 116 ALA CB . 53480 1 915 . 1 . 1 116 116 ALA N N 15 121.473 0.021 . 1 . . . . . 116 ALA N . 53480 1 916 . 1 . 1 117 117 LYS H H 1 7.755 0.006 . 1 . . . . . 117 LYS H . 53480 1 917 . 1 . 1 117 117 LYS HA H 1 4.213 0.002 . 1 . . . . . 117 LYS HA . 53480 1 918 . 1 . 1 117 117 LYS HB2 H 1 1.887 0.047 . 2 . . . . . 117 LYS HB2 . 53480 1 919 . 1 . 1 117 117 LYS HB3 H 1 1.910 0.045 . 2 . . . . . 117 LYS HB3 . 53480 1 920 . 1 . 1 117 117 LYS HG2 H 1 1.472 0.010 . 2 . . . . . 117 LYS HG2 . 53480 1 921 . 1 . 1 117 117 LYS HG3 H 1 1.472 0.010 . 2 . . . . . 117 LYS HG3 . 53480 1 922 . 1 . 1 117 117 LYS HD2 H 1 1.666 0.003 . 2 . . . . . 117 LYS HD2 . 53480 1 923 . 1 . 1 117 117 LYS HD3 H 1 1.666 0.003 . 2 . . . . . 117 LYS HD3 . 53480 1 924 . 1 . 1 117 117 LYS C C 13 177.674 0.000 . 1 . . . . . 117 LYS C . 53480 1 925 . 1 . 1 117 117 LYS CA C 13 57.083 0.076 . 1 . . . . . 117 LYS CA . 53480 1 926 . 1 . 1 117 117 LYS CB C 13 32.661 0.028 . 1 . . . . . 117 LYS CB . 53480 1 927 . 1 . 1 117 117 LYS CG C 13 24.723 0.031 . 1 . . . . . 117 LYS CG . 53480 1 928 . 1 . 1 117 117 LYS CD C 13 27.319 0.046 . 1 . . . . . 117 LYS CD . 53480 1 929 . 1 . 1 117 117 LYS N N 15 118.554 0.021 . 1 . . . . . 117 LYS N . 53480 1 930 . 1 . 1 118 118 GLU H H 1 8.068 0.006 . 1 . . . . . 118 GLU H . 53480 1 931 . 1 . 1 118 118 GLU HA H 1 4.155 0.000 . 1 . . . . . 118 GLU HA . 53480 1 932 . 1 . 1 118 118 GLU C C 13 177.024 0.003 . 1 . . . . . 118 GLU C . 53480 1 933 . 1 . 1 118 118 GLU CA C 13 57.415 0.034 . 1 . . . . . 118 GLU CA . 53480 1 934 . 1 . 1 118 118 GLU CB C 13 30.033 0.045 . 1 . . . . . 118 GLU CB . 53480 1 935 . 1 . 1 118 118 GLU CG C 13 36.371 0.000 . 1 . . . . . 118 GLU CG . 53480 1 936 . 1 . 1 118 118 GLU N N 15 120.182 0.059 . 1 . . . . . 118 GLU N . 53480 1 937 . 1 . 1 119 119 LYS H H 1 7.964 0.005 . 1 . . . . . 119 LYS H . 53480 1 938 . 1 . 1 119 119 LYS HA H 1 4.294 0.002 . 1 . . . . . 119 LYS HA . 53480 1 939 . 1 . 1 119 119 LYS HB2 H 1 1.844 0.017 . 2 . . . . . 119 LYS HB2 . 53480 1 940 . 1 . 1 119 119 LYS HB3 H 1 1.770 0.002 . 2 . . . . . 119 LYS HB3 . 53480 1 941 . 1 . 1 119 119 LYS HG2 H 1 1.435 0.013 . 2 . . . . . 119 LYS HG2 . 53480 1 942 . 1 . 1 119 119 LYS HG3 H 1 1.435 0.013 . 2 . . . . . 119 LYS HG3 . 53480 1 943 . 1 . 1 119 119 LYS HD2 H 1 1.619 0.007 . 2 . . . . . 119 LYS HD2 . 53480 1 944 . 1 . 1 119 119 LYS HD3 H 1 1.619 0.007 . 2 . . . . . 119 LYS HD3 . 53480 1 945 . 1 . 1 119 119 LYS C C 13 176.521 0.002 . 1 . . . . . 119 LYS C . 53480 1 946 . 1 . 1 119 119 LYS CA C 13 56.461 0.044 . 1 . . . . . 119 LYS CA . 53480 1 947 . 1 . 1 119 119 LYS CB C 13 32.857 0.049 . 1 . . . . . 119 LYS CB . 53480 1 948 . 1 . 1 119 119 LYS CG C 13 24.785 0.043 . 1 . . . . . 119 LYS CG . 53480 1 949 . 1 . 1 119 119 LYS CD C 13 29.189 0.025 . 1 . . . . . 119 LYS CD . 53480 1 950 . 1 . 1 119 119 LYS N N 15 120.135 0.012 . 1 . . . . . 119 LYS N . 53480 1 951 . 1 . 1 120 120 SER H H 1 8.082 0.006 . 1 . . . . . 120 SER H . 53480 1 952 . 1 . 1 120 120 SER HA H 1 4.415 0.008 . 1 . . . . . 120 SER HA . 53480 1 953 . 1 . 1 120 120 SER HB2 H 1 3.858 0.002 . 2 . . . . . 120 SER HB2 . 53480 1 954 . 1 . 1 120 120 SER HB3 H 1 3.706 0.002 . 2 . . . . . 120 SER HB3 . 53480 1 955 . 1 . 1 120 120 SER C C 13 173.587 0.003 . 1 . . . . . 120 SER C . 53480 1 956 . 1 . 1 120 120 SER CA C 13 58.472 0.061 . 1 . . . . . 120 SER CA . 53480 1 957 . 1 . 1 120 120 SER CB C 13 63.941 0.073 . 1 . . . . . 120 SER CB . 53480 1 958 . 1 . 1 120 120 SER N N 15 116.875 0.041 . 1 . . . . . 120 SER N . 53480 1 959 . 1 . 1 121 121 GLN H H 1 7.881 0.003 . 1 . . . . . 121 GLN H . 53480 1 960 . 1 . 1 121 121 GLN HA H 1 4.118 0.004 . 1 . . . . . 121 GLN HA . 53480 1 961 . 1 . 1 121 121 GLN HB2 H 1 2.064 0.001 . 2 . . . . . 121 GLN HB2 . 53480 1 962 . 1 . 1 121 121 GLN HB3 H 1 1.891 0.002 . 2 . . . . . 121 GLN HB3 . 53480 1 963 . 1 . 1 121 121 GLN HG2 H 1 2.258 0.002 . 2 . . . . . 121 GLN HG2 . 53480 1 964 . 1 . 1 121 121 GLN HG3 H 1 2.258 0.002 . 2 . . . . . 121 GLN HG3 . 53480 1 965 . 1 . 1 121 121 GLN C C 13 180.461 0.000 . 1 . . . . . 121 GLN C . 53480 1 966 . 1 . 1 121 121 GLN CA C 13 57.429 0.021 . 1 . . . . . 121 GLN CA . 53480 1 967 . 1 . 1 121 121 GLN CB C 13 30.327 0.058 . 1 . . . . . 121 GLN CB . 53480 1 968 . 1 . 1 121 121 GLN CG C 13 34.255 0.000 . 1 . . . . . 121 GLN CG . 53480 1 969 . 1 . 1 121 121 GLN N N 15 126.633 0.008 . 1 . . . . . 121 GLN N . 53480 1 stop_ save_