################################### # 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 53479 _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' . . . 53479 1 2 '3D HNCACB' . . . 53479 1 3 '3D HCCH-TOCSY' . . . 53479 1 4 '2D 1H-15N HSQC' . . . 53479 1 5 '2D 1H-13C HSQC' . . . 53479 1 6 '3D HCACO' . . . 53479 1 7 '3D HNCO' . . . 53479 1 8 '3D HN(COCA)CB' . . . 53479 1 9 '3D HN(CO)CA' . . . 53479 1 13 '3D 1H-15N TOCSY' . . . 53479 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 . . 53479 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 4 4 MET C C 13 176.473 0.000 . 1 . . . . . 4 MET C . 53479 1 2 . 1 . 1 4 4 MET CA C 13 55.596 0.000 . 1 . . . . . 4 MET CA . 53479 1 3 . 1 . 1 5 5 GLY H H 1 8.294 0.004 . 1 . . . . . 5 GLY H . 53479 1 4 . 1 . 1 5 5 GLY HA2 H 1 3.874 0.003 . 2 . . . . . 5 GLY HA2 . 53479 1 5 . 1 . 1 5 5 GLY HA3 H 1 3.511 0.000 . 2 . . . . . 5 GLY HA3 . 53479 1 6 . 1 . 1 5 5 GLY C C 13 173.967 0.009 . 1 . . . . . 5 GLY C . 53479 1 7 . 1 . 1 5 5 GLY CA C 13 45.295 0.028 . 1 . . . . . 5 GLY CA . 53479 1 8 . 1 . 1 5 5 GLY N N 15 109.546 0.039 . 1 . . . . . 5 GLY N . 53479 1 9 . 1 . 1 6 6 GLU H H 1 8.088 0.006 . 1 . . . . . 6 GLU H . 53479 1 10 . 1 . 1 6 6 GLU HA H 1 4.390 0.004 . 1 . . . . . 6 GLU HA . 53479 1 11 . 1 . 1 6 6 GLU HB2 H 1 2.065 0.007 . 2 . . . . . 6 GLU HB2 . 53479 1 12 . 1 . 1 6 6 GLU HB3 H 1 1.886 0.008 . 2 . . . . . 6 GLU HB3 . 53479 1 13 . 1 . 1 6 6 GLU HG2 H 1 2.196 0.005 . 2 . . . . . 6 GLU HG2 . 53479 1 14 . 1 . 1 6 6 GLU HG3 H 1 2.196 0.005 . 2 . . . . . 6 GLU HG3 . 53479 1 15 . 1 . 1 6 6 GLU C C 13 176.104 0.003 . 1 . . . . . 6 GLU C . 53479 1 16 . 1 . 1 6 6 GLU CA C 13 56.235 0.044 . 1 . . . . . 6 GLU CA . 53479 1 17 . 1 . 1 6 6 GLU CB C 13 30.561 0.038 . 1 . . . . . 6 GLU CB . 53479 1 18 . 1 . 1 6 6 GLU CG C 13 36.344 0.001 . 1 . . . . . 6 GLU CG . 53479 1 19 . 1 . 1 6 6 GLU N N 15 120.075 0.075 . 1 . . . . . 6 GLU N . 53479 1 20 . 1 . 1 7 7 GLN H H 1 8.458 0.002 . 1 . . . . . 7 GLN H . 53479 1 21 . 1 . 1 7 7 GLN HA H 1 4.731 0.003 . 1 . . . . . 7 GLN HA . 53479 1 22 . 1 . 1 7 7 GLN HB2 H 1 2.062 0.005 . 2 . . . . . 7 GLN HB2 . 53479 1 23 . 1 . 1 7 7 GLN HB3 H 1 1.901 0.001 . 2 . . . . . 7 GLN HB3 . 53479 1 24 . 1 . 1 7 7 GLN HG2 H 1 2.346 0.000 . 2 . . . . . 7 GLN HG2 . 53479 1 25 . 1 . 1 7 7 GLN HG3 H 1 2.346 0.000 . 2 . . . . . 7 GLN HG3 . 53479 1 26 . 1 . 1 7 7 GLN C C 13 173.556 0.000 . 1 . . . . . 7 GLN C . 53479 1 27 . 1 . 1 7 7 GLN CA C 13 52.965 0.033 . 1 . . . . . 7 GLN CA . 53479 1 28 . 1 . 1 7 7 GLN CB C 13 29.376 0.055 . 1 . . . . . 7 GLN CB . 53479 1 29 . 1 . 1 7 7 GLN CG C 13 33.296 0.000 . 1 . . . . . 7 GLN CG . 53479 1 30 . 1 . 1 7 7 GLN N N 15 120.838 0.016 . 1 . . . . . 7 GLN N . 53479 1 31 . 1 . 1 8 8 PRO C C 13 177.048 0.001 . 1 . . . . . 8 PRO C . 53479 1 32 . 1 . 1 8 8 PRO CA C 13 62.396 0.079 . 1 . . . . . 8 PRO CA . 53479 1 33 . 1 . 1 8 8 PRO CB C 13 32.000 0.010 . 1 . . . . . 8 PRO CB . 53479 1 34 . 1 . 1 9 9 ILE H H 1 8.487 0.003 . 1 . . . . . 9 ILE H . 53479 1 35 . 1 . 1 9 9 ILE HA H 1 4.141 0.001 . 1 . . . . . 9 ILE HA . 53479 1 36 . 1 . 1 9 9 ILE HB H 1 1.717 0.002 . 1 . . . . . 9 ILE HB . 53479 1 37 . 1 . 1 9 9 ILE HG21 H 1 0.962 0.003 . 1 . . . . . 9 ILE QG2 . 53479 1 38 . 1 . 1 9 9 ILE HG22 H 1 0.962 0.003 . 1 . . . . . 9 ILE QG2 . 53479 1 39 . 1 . 1 9 9 ILE HG23 H 1 0.962 0.003 . 1 . . . . . 9 ILE QG2 . 53479 1 40 . 1 . 1 9 9 ILE C C 13 176.320 0.011 . 1 . . . . . 9 ILE C . 53479 1 41 . 1 . 1 9 9 ILE CA C 13 61.867 0.060 . 1 . . . . . 9 ILE CA . 53479 1 42 . 1 . 1 9 9 ILE CB C 13 38.938 0.071 . 1 . . . . . 9 ILE CB . 53479 1 43 . 1 . 1 9 9 ILE CG2 C 13 18.218 0.030 . 1 . . . . . 9 ILE CG2 . 53479 1 44 . 1 . 1 9 9 ILE N N 15 119.026 0.018 . 1 . . . . . 9 ILE N . 53479 1 45 . 1 . 1 10 10 PHE H H 1 7.165 0.004 . 1 . . . . . 10 PHE H . 53479 1 46 . 1 . 1 10 10 PHE HA H 1 4.640 0.003 . 1 . . . . . 10 PHE HA . 53479 1 47 . 1 . 1 10 10 PHE HB2 H 1 2.628 0.005 . 2 . . . . . 10 PHE HB2 . 53479 1 48 . 1 . 1 10 10 PHE HB3 H 1 2.628 0.005 . 2 . . . . . 10 PHE HB3 . 53479 1 49 . 1 . 1 10 10 PHE C C 13 173.394 0.008 . 1 . . . . . 10 PHE C . 53479 1 50 . 1 . 1 10 10 PHE CA C 13 58.316 0.054 . 1 . . . . . 10 PHE CA . 53479 1 51 . 1 . 1 10 10 PHE CB C 13 41.901 0.031 . 1 . . . . . 10 PHE CB . 53479 1 52 . 1 . 1 10 10 PHE N N 15 118.676 0.096 . 1 . . . . . 10 PHE N . 53479 1 53 . 1 . 1 11 11 SER H H 1 7.823 0.003 . 1 . . . . . 11 SER H . 53479 1 54 . 1 . 1 11 11 SER HB2 H 1 3.548 0.000 . 2 . . . . . 11 SER HB2 . 53479 1 55 . 1 . 1 11 11 SER HB3 H 1 3.306 0.001 . 2 . . . . . 11 SER HB3 . 53479 1 56 . 1 . 1 11 11 SER C C 13 170.600 0.013 . 1 . . . . . 11 SER C . 53479 1 57 . 1 . 1 11 11 SER CA C 13 57.393 0.034 . 1 . . . . . 11 SER CA . 53479 1 58 . 1 . 1 11 11 SER CB C 13 66.431 0.042 . 1 . . . . . 11 SER CB . 53479 1 59 . 1 . 1 11 11 SER N N 15 123.112 0.068 . 1 . . . . . 11 SER N . 53479 1 60 . 1 . 1 12 12 THR H H 1 8.805 0.005 . 1 . . . . . 12 THR H . 53479 1 61 . 1 . 1 12 12 THR HA H 1 4.530 0.001 . 1 . . . . . 12 THR HA . 53479 1 62 . 1 . 1 12 12 THR HB H 1 4.095 0.009 . 1 . . . . . 12 THR HB . 53479 1 63 . 1 . 1 12 12 THR HG21 H 1 1.289 0.004 . 1 . . . . . 12 THR QG2 . 53479 1 64 . 1 . 1 12 12 THR HG22 H 1 1.289 0.004 . 1 . . . . . 12 THR QG2 . 53479 1 65 . 1 . 1 12 12 THR HG23 H 1 1.289 0.004 . 1 . . . . . 12 THR QG2 . 53479 1 66 . 1 . 1 12 12 THR C C 13 171.598 0.004 . 1 . . . . . 12 THR C . 53479 1 67 . 1 . 1 12 12 THR CA C 13 59.419 0.058 . 1 . . . . . 12 THR CA . 53479 1 68 . 1 . 1 12 12 THR CB C 13 69.892 0.070 . 1 . . . . . 12 THR CB . 53479 1 69 . 1 . 1 12 12 THR CG2 C 13 20.338 0.009 . 1 . . . . . 12 THR CG2 . 53479 1 70 . 1 . 1 12 12 THR N N 15 118.155 0.045 . 1 . . . . . 12 THR N . 53479 1 71 . 1 . 1 13 13 ARG H H 1 8.090 0.004 . 1 . . . . . 13 ARG H . 53479 1 72 . 1 . 1 13 13 ARG HB2 H 1 1.542 0.008 . 2 . . . . . 13 ARG HB2 . 53479 1 73 . 1 . 1 13 13 ARG HB3 H 1 1.372 0.012 . 2 . . . . . 13 ARG HB3 . 53479 1 74 . 1 . 1 13 13 ARG C C 13 174.917 0.004 . 1 . . . . . 13 ARG C . 53479 1 75 . 1 . 1 13 13 ARG CA C 13 54.240 0.047 . 1 . . . . . 13 ARG CA . 53479 1 76 . 1 . 1 13 13 ARG CB C 13 32.589 0.051 . 1 . . . . . 13 ARG CB . 53479 1 77 . 1 . 1 13 13 ARG N N 15 123.111 0.027 . 1 . . . . . 13 ARG N . 53479 1 78 . 1 . 1 14 14 ALA H H 1 8.908 0.003 . 1 . . . . . 14 ALA H . 53479 1 79 . 1 . 1 14 14 ALA HA H 1 4.403 0.002 . 1 . . . . . 14 ALA HA . 53479 1 80 . 1 . 1 14 14 ALA HB1 H 1 0.416 0.002 . 1 . . . . . 14 ALA HB# . 53479 1 81 . 1 . 1 14 14 ALA HB2 H 1 0.416 0.002 . 1 . . . . . 14 ALA HB# . 53479 1 82 . 1 . 1 14 14 ALA HB3 H 1 0.416 0.002 . 1 . . . . . 14 ALA HB# . 53479 1 83 . 1 . 1 14 14 ALA C C 13 175.782 0.003 . 1 . . . . . 14 ALA C . 53479 1 84 . 1 . 1 14 14 ALA CA C 13 51.369 0.021 . 1 . . . . . 14 ALA CA . 53479 1 85 . 1 . 1 14 14 ALA CB C 13 22.072 0.034 . 1 . . . . . 14 ALA CB . 53479 1 86 . 1 . 1 14 14 ALA N N 15 123.187 0.014 . 1 . . . . . 14 ALA N . 53479 1 87 . 1 . 1 15 15 HIS H H 1 8.559 0.003 . 1 . . . . . 15 HIS H . 53479 1 88 . 1 . 1 15 15 HIS HA H 1 4.141 0.010 . 1 . . . . . 15 HIS HA . 53479 1 89 . 1 . 1 15 15 HIS HB2 H 1 2.923 0.006 . 2 . . . . . 15 HIS HB2 . 53479 1 90 . 1 . 1 15 15 HIS HB3 H 1 2.738 0.003 . 2 . . . . . 15 HIS HB3 . 53479 1 91 . 1 . 1 15 15 HIS C C 13 174.590 0.003 . 1 . . . . . 15 HIS C . 53479 1 92 . 1 . 1 15 15 HIS CA C 13 57.919 0.068 . 1 . . . . . 15 HIS CA . 53479 1 93 . 1 . 1 15 15 HIS CB C 13 31.687 0.072 . 1 . . . . . 15 HIS CB . 53479 1 94 . 1 . 1 15 15 HIS N N 15 119.910 0.026 . 1 . . . . . 15 HIS N . 53479 1 95 . 1 . 1 16 16 VAL H H 1 7.873 0.009 . 1 . . . . . 16 VAL H . 53479 1 96 . 1 . 1 16 16 VAL HA H 1 4.530 0.005 . 1 . . . . . 16 VAL HA . 53479 1 97 . 1 . 1 16 16 VAL HB H 1 1.490 0.009 . 1 . . . . . 16 VAL HB . 53479 1 98 . 1 . 1 16 16 VAL HG11 H 1 0.842 0.002 . 2 . . . . . 16 VAL QG1 . 53479 1 99 . 1 . 1 16 16 VAL HG12 H 1 0.842 0.002 . 2 . . . . . 16 VAL QG1 . 53479 1 100 . 1 . 1 16 16 VAL HG13 H 1 0.842 0.002 . 2 . . . . . 16 VAL QG1 . 53479 1 101 . 1 . 1 16 16 VAL HG21 H 1 0.840 0.002 . 2 . . . . . 16 VAL QG2 . 53479 1 102 . 1 . 1 16 16 VAL HG22 H 1 0.840 0.002 . 2 . . . . . 16 VAL QG2 . 53479 1 103 . 1 . 1 16 16 VAL HG23 H 1 0.840 0.002 . 2 . . . . . 16 VAL QG2 . 53479 1 104 . 1 . 1 16 16 VAL C C 13 175.153 0.007 . 1 . . . . . 16 VAL C . 53479 1 105 . 1 . 1 16 16 VAL CA C 13 62.050 0.044 . 1 . . . . . 16 VAL CA . 53479 1 106 . 1 . 1 16 16 VAL CB C 13 32.955 0.020 . 1 . . . . . 16 VAL CB . 53479 1 107 . 1 . 1 16 16 VAL CG1 C 13 22.421 0.005 . 2 . . . . . 16 VAL CG1 . 53479 1 108 . 1 . 1 16 16 VAL CG2 C 13 21.750 0.012 . 2 . . . . . 16 VAL CG2 . 53479 1 109 . 1 . 1 16 16 VAL N N 15 122.468 0.051 . 1 . . . . . 16 VAL N . 53479 1 110 . 1 . 1 17 17 PHE H H 1 9.598 0.004 . 1 . . . . . 17 PHE H . 53479 1 111 . 1 . 1 17 17 PHE HA H 1 5.406 0.006 . 1 . . . . . 17 PHE HA . 53479 1 112 . 1 . 1 17 17 PHE HB2 H 1 3.185 0.013 . 2 . . . . . 17 PHE HB2 . 53479 1 113 . 1 . 1 17 17 PHE HB3 H 1 2.539 0.005 . 2 . . . . . 17 PHE HB3 . 53479 1 114 . 1 . 1 17 17 PHE C C 13 174.972 0.000 . 1 . . . . . 17 PHE C . 53479 1 115 . 1 . 1 17 17 PHE CA C 13 56.201 0.038 . 1 . . . . . 17 PHE CA . 53479 1 116 . 1 . 1 17 17 PHE CB C 13 45.072 0.052 . 1 . . . . . 17 PHE CB . 53479 1 117 . 1 . 1 17 17 PHE N N 15 127.564 0.037 . 1 . . . . . 17 PHE N . 53479 1 118 . 1 . 1 18 18 GLN H H 1 9.145 0.004 . 1 . . . . . 18 GLN H . 53479 1 119 . 1 . 1 18 18 GLN HA H 1 5.548 0.004 . 1 . . . . . 18 GLN HA . 53479 1 120 . 1 . 1 18 18 GLN HB2 H 1 2.279 0.000 . 2 . . . . . 18 GLN HB2 . 53479 1 121 . 1 . 1 18 18 GLN HB3 H 1 2.279 0.000 . 2 . . . . . 18 GLN HB3 . 53479 1 122 . 1 . 1 18 18 GLN C C 13 175.427 0.020 . 1 . . . . . 18 GLN C . 53479 1 123 . 1 . 1 18 18 GLN CA C 13 54.496 0.066 . 1 . . . . . 18 GLN CA . 53479 1 124 . 1 . 1 18 18 GLN CB C 13 34.125 0.036 . 1 . . . . . 18 GLN CB . 53479 1 125 . 1 . 1 18 18 GLN N N 15 117.642 0.017 . 1 . . . . . 18 GLN N . 53479 1 126 . 1 . 1 19 19 ILE H H 1 7.960 0.006 . 1 . . . . . 19 ILE H . 53479 1 127 . 1 . 1 19 19 ILE HA H 1 3.794 0.002 . 1 . . . . . 19 ILE HA . 53479 1 128 . 1 . 1 19 19 ILE HB H 1 0.998 0.006 . 1 . . . . . 19 ILE HB . 53479 1 129 . 1 . 1 19 19 ILE C C 13 175.263 0.008 . 1 . . . . . 19 ILE C . 53479 1 130 . 1 . 1 19 19 ILE CA C 13 59.727 0.045 . 1 . . . . . 19 ILE CA . 53479 1 131 . 1 . 1 19 19 ILE CB C 13 38.742 0.031 . 1 . . . . . 19 ILE CB . 53479 1 132 . 1 . 1 19 19 ILE N N 15 124.102 0.062 . 1 . . . . . 19 ILE N . 53479 1 133 . 1 . 1 20 20 ASP H H 1 8.214 0.008 . 1 . . . . . 20 ASP H . 53479 1 134 . 1 . 1 20 20 ASP HA H 1 4.527 0.005 . 1 . . . . . 20 ASP HA . 53479 1 135 . 1 . 1 20 20 ASP HB2 H 1 2.783 0.014 . 2 . . . . . 20 ASP HB2 . 53479 1 136 . 1 . 1 20 20 ASP HB3 H 1 2.783 0.014 . 2 . . . . . 20 ASP HB3 . 53479 1 137 . 1 . 1 20 20 ASP CA C 13 51.695 0.088 . 1 . . . . . 20 ASP CA . 53479 1 138 . 1 . 1 20 20 ASP CB C 13 42.350 0.024 . 1 . . . . . 20 ASP CB . 53479 1 139 . 1 . 1 20 20 ASP N N 15 127.689 0.035 . 1 . . . . . 20 ASP N . 53479 1 140 . 1 . 1 21 21 PRO C C 13 177.239 0.001 . 1 . . . . . 21 PRO C . 53479 1 141 . 1 . 1 21 21 PRO CA C 13 64.016 0.022 . 1 . . . . . 21 PRO CA . 53479 1 142 . 1 . 1 21 21 PRO CB C 13 32.047 0.013 . 1 . . . . . 21 PRO CB . 53479 1 143 . 1 . 1 22 22 ASN H H 1 8.364 0.002 . 1 . . . . . 22 ASN H . 53479 1 144 . 1 . 1 22 22 ASN HA H 1 4.579 0.004 . 1 . . . . . 22 ASN HA . 53479 1 145 . 1 . 1 22 22 ASN HB2 H 1 2.853 0.005 . 2 . . . . . 22 ASN HB2 . 53479 1 146 . 1 . 1 22 22 ASN HB3 H 1 2.771 0.001 . 2 . . . . . 22 ASN HB3 . 53479 1 147 . 1 . 1 22 22 ASN C C 13 175.915 0.009 . 1 . . . . . 22 ASN C . 53479 1 148 . 1 . 1 22 22 ASN CA C 13 54.890 0.025 . 1 . . . . . 22 ASN CA . 53479 1 149 . 1 . 1 22 22 ASN CB C 13 39.045 0.017 . 1 . . . . . 22 ASN CB . 53479 1 150 . 1 . 1 22 22 ASN N N 15 115.801 0.090 . 1 . . . . . 22 ASN N . 53479 1 151 . 1 . 1 23 23 THR H H 1 7.819 0.004 . 1 . . . . . 23 THR H . 53479 1 152 . 1 . 1 23 23 THR HA H 1 4.269 0.002 . 1 . . . . . 23 THR HA . 53479 1 153 . 1 . 1 23 23 THR HB H 1 4.108 0.002 . 1 . . . . . 23 THR HB . 53479 1 154 . 1 . 1 23 23 THR C C 13 174.705 0.003 . 1 . . . . . 23 THR C . 53479 1 155 . 1 . 1 23 23 THR CA C 13 61.693 0.066 . 1 . . . . . 23 THR CA . 53479 1 156 . 1 . 1 23 23 THR CB C 13 70.569 0.022 . 1 . . . . . 23 THR CB . 53479 1 157 . 1 . 1 23 23 THR N N 15 109.634 0.035 . 1 . . . . . 23 THR N . 53479 1 158 . 1 . 1 24 24 LYS H H 1 8.136 0.009 . 1 . . . . . 24 LYS H . 53479 1 159 . 1 . 1 24 24 LYS HA H 1 4.059 0.000 . 1 . . . . . 24 LYS HA . 53479 1 160 . 1 . 1 24 24 LYS HB2 H 1 2.243 0.006 . 2 . . . . . 24 LYS HB2 . 53479 1 161 . 1 . 1 24 24 LYS HB3 H 1 2.124 0.002 . 2 . . . . . 24 LYS HB3 . 53479 1 162 . 1 . 1 24 24 LYS C C 13 176.014 0.002 . 1 . . . . . 24 LYS C . 53479 1 163 . 1 . 1 24 24 LYS CA C 13 57.536 0.061 . 1 . . . . . 24 LYS CA . 53479 1 164 . 1 . 1 24 24 LYS CB C 13 30.344 0.024 . 1 . . . . . 24 LYS CB . 53479 1 165 . 1 . 1 24 24 LYS N N 15 117.753 0.059 . 1 . . . . . 24 LYS N . 53479 1 166 . 1 . 1 25 25 LYS H H 1 7.768 0.005 . 1 . . . . . 25 LYS H . 53479 1 167 . 1 . 1 25 25 LYS HA H 1 4.132 0.003 . 1 . . . . . 25 LYS HA . 53479 1 168 . 1 . 1 25 25 LYS HB2 H 1 1.645 0.002 . 2 . . . . . 25 LYS HB2 . 53479 1 169 . 1 . 1 25 25 LYS HB3 H 1 1.478 0.008 . 2 . . . . . 25 LYS HB3 . 53479 1 170 . 1 . 1 25 25 LYS HG2 H 1 1.189 0.005 . 2 . . . . . 25 LYS HG2 . 53479 1 171 . 1 . 1 25 25 LYS HG3 H 1 1.189 0.005 . 2 . . . . . 25 LYS HG3 . 53479 1 172 . 1 . 1 25 25 LYS C C 13 174.927 0.006 . 1 . . . . . 25 LYS C . 53479 1 173 . 1 . 1 25 25 LYS CA C 13 56.398 0.058 . 1 . . . . . 25 LYS CA . 53479 1 174 . 1 . 1 25 25 LYS CB C 13 34.202 0.050 . 1 . . . . . 25 LYS CB . 53479 1 175 . 1 . 1 25 25 LYS CG C 13 24.711 0.037 . 1 . . . . . 25 LYS CG . 53479 1 176 . 1 . 1 25 25 LYS N N 15 115.825 0.086 . 1 . . . . . 25 LYS N . 53479 1 177 . 1 . 1 26 26 ASN H H 1 7.355 0.006 . 1 . . . . . 26 ASN H . 53479 1 178 . 1 . 1 26 26 ASN HA H 1 4.596 0.003 . 1 . . . . . 26 ASN HA . 53479 1 179 . 1 . 1 26 26 ASN HB2 H 1 2.667 0.002 . 2 . . . . . 26 ASN HB2 . 53479 1 180 . 1 . 1 26 26 ASN HB3 H 1 2.541 0.003 . 2 . . . . . 26 ASN HB3 . 53479 1 181 . 1 . 1 26 26 ASN C C 13 173.224 0.040 . 1 . . . . . 26 ASN C . 53479 1 182 . 1 . 1 26 26 ASN CA C 13 52.425 0.042 . 1 . . . . . 26 ASN CA . 53479 1 183 . 1 . 1 26 26 ASN CB C 13 40.352 0.023 . 1 . . . . . 26 ASN CB . 53479 1 184 . 1 . 1 26 26 ASN N N 15 115.648 0.032 . 1 . . . . . 26 ASN N . 53479 1 185 . 1 . 1 27 27 TRP H H 1 8.379 0.003 . 1 . . . . . 27 TRP H . 53479 1 186 . 1 . 1 27 27 TRP HA H 1 4.715 0.061 . 1 . . . . . 27 TRP HA . 53479 1 187 . 1 . 1 27 27 TRP HB2 H 1 2.903 0.016 . 2 . . . . . 27 TRP HB2 . 53479 1 188 . 1 . 1 27 27 TRP HB3 H 1 2.773 0.052 . 2 . . . . . 27 TRP HB3 . 53479 1 189 . 1 . 1 27 27 TRP C C 13 176.472 0.005 . 1 . . . . . 27 TRP C . 53479 1 190 . 1 . 1 27 27 TRP CA C 13 56.677 0.087 . 1 . . . . . 27 TRP CA . 53479 1 191 . 1 . 1 27 27 TRP CB C 13 30.954 0.049 . 1 . . . . . 27 TRP CB . 53479 1 192 . 1 . 1 27 27 TRP N N 15 121.398 0.056 . 1 . . . . . 27 TRP N . 53479 1 193 . 1 . 1 28 28 VAL H H 1 9.564 0.004 . 1 . . . . . 28 VAL H . 53479 1 194 . 1 . 1 28 28 VAL HA H 1 4.805 0.003 . 1 . . . . . 28 VAL HA . 53479 1 195 . 1 . 1 28 28 VAL HB H 1 2.214 0.007 . 1 . . . . . 28 VAL HB . 53479 1 196 . 1 . 1 28 28 VAL HG11 H 1 0.949 0.001 . 2 . . . . . 28 VAL QG1 . 53479 1 197 . 1 . 1 28 28 VAL HG12 H 1 0.949 0.001 . 2 . . . . . 28 VAL QG1 . 53479 1 198 . 1 . 1 28 28 VAL HG13 H 1 0.949 0.001 . 2 . . . . . 28 VAL QG1 . 53479 1 199 . 1 . 1 28 28 VAL HG21 H 1 0.937 0.006 . 2 . . . . . 28 VAL QG2 . 53479 1 200 . 1 . 1 28 28 VAL HG22 H 1 0.937 0.006 . 2 . . . . . 28 VAL QG2 . 53479 1 201 . 1 . 1 28 28 VAL HG23 H 1 0.937 0.006 . 2 . . . . . 28 VAL QG2 . 53479 1 202 . 1 . 1 28 28 VAL C C 13 174.387 0.000 . 1 . . . . . 28 VAL C . 53479 1 203 . 1 . 1 28 28 VAL CA C 13 59.009 0.028 . 1 . . . . . 28 VAL CA . 53479 1 204 . 1 . 1 28 28 VAL CB C 13 33.997 0.097 . 1 . . . . . 28 VAL CB . 53479 1 205 . 1 . 1 28 28 VAL CG1 C 13 20.773 0.044 . 2 . . . . . 28 VAL CG1 . 53479 1 206 . 1 . 1 28 28 VAL CG2 C 13 20.236 0.050 . 2 . . . . . 28 VAL CG2 . 53479 1 207 . 1 . 1 28 28 VAL N N 15 124.494 0.032 . 1 . . . . . 28 VAL N . 53479 1 208 . 1 . 1 29 29 PRO C C 13 177.490 0.003 . 1 . . . . . 29 PRO C . 53479 1 209 . 1 . 1 29 29 PRO CA C 13 63.272 0.034 . 1 . . . . . 29 PRO CA . 53479 1 210 . 1 . 1 29 29 PRO CB C 13 32.030 0.003 . 1 . . . . . 29 PRO CB . 53479 1 211 . 1 . 1 30 30 THR H H 1 8.829 0.005 . 1 . . . . . 30 THR H . 53479 1 212 . 1 . 1 30 30 THR HA H 1 4.262 0.006 . 1 . . . . . 30 THR HA . 53479 1 213 . 1 . 1 30 30 THR HB H 1 4.100 0.005 . 1 . . . . . 30 THR HB . 53479 1 214 . 1 . 1 30 30 THR C C 13 174.694 0.002 . 1 . . . . . 30 THR C . 53479 1 215 . 1 . 1 30 30 THR CA C 13 62.799 0.077 . 1 . . . . . 30 THR CA . 53479 1 216 . 1 . 1 30 30 THR CB C 13 68.943 0.072 . 1 . . . . . 30 THR CB . 53479 1 217 . 1 . 1 30 30 THR N N 15 118.219 0.029 . 1 . . . . . 30 THR N . 53479 1 218 . 1 . 1 31 31 SER H H 1 7.356 0.003 . 1 . . . . . 31 SER H . 53479 1 219 . 1 . 1 31 31 SER HA H 1 4.519 0.003 . 1 . . . . . 31 SER HA . 53479 1 220 . 1 . 1 31 31 SER HB2 H 1 3.958 0.014 . 2 . . . . . 31 SER HB2 . 53479 1 221 . 1 . 1 31 31 SER HB3 H 1 3.411 0.003 . 2 . . . . . 31 SER HB3 . 53479 1 222 . 1 . 1 31 31 SER C C 13 173.808 0.000 . 1 . . . . . 31 SER C . 53479 1 223 . 1 . 1 31 31 SER CA C 13 56.799 0.025 . 1 . . . . . 31 SER CA . 53479 1 224 . 1 . 1 31 31 SER CB C 13 65.516 0.064 . 1 . . . . . 31 SER CB . 53479 1 225 . 1 . 1 31 31 SER N N 15 114.109 0.034 . 1 . . . . . 31 SER N . 53479 1 226 . 1 . 1 32 32 LYS C C 13 175.876 0.007 . 1 . . . . . 32 LYS C . 53479 1 227 . 1 . 1 32 32 LYS CA C 13 57.692 0.033 . 1 . . . . . 32 LYS CA . 53479 1 228 . 1 . 1 32 32 LYS CB C 13 32.447 0.000 . 1 . . . . . 32 LYS CB . 53479 1 229 . 1 . 1 33 33 HIS H H 1 7.474 0.004 . 1 . . . . . 33 HIS H . 53479 1 230 . 1 . 1 33 33 HIS HA H 1 4.646 0.004 . 1 . . . . . 33 HIS HA . 53479 1 231 . 1 . 1 33 33 HIS HB2 H 1 3.140 0.001 . 2 . . . . . 33 HIS HB2 . 53479 1 232 . 1 . 1 33 33 HIS HB3 H 1 2.864 0.006 . 2 . . . . . 33 HIS HB3 . 53479 1 233 . 1 . 1 33 33 HIS C C 13 173.923 0.010 . 1 . . . . . 33 HIS C . 53479 1 234 . 1 . 1 33 33 HIS CA C 13 53.323 0.056 . 1 . . . . . 33 HIS CA . 53479 1 235 . 1 . 1 33 33 HIS CB C 13 32.243 0.035 . 1 . . . . . 33 HIS CB . 53479 1 236 . 1 . 1 33 33 HIS N N 15 115.332 0.032 . 1 . . . . . 33 HIS N . 53479 1 237 . 1 . 1 34 34 ALA H H 1 8.220 0.005 . 1 . . . . . 34 ALA H . 53479 1 238 . 1 . 1 34 34 ALA HA H 1 3.394 0.002 . 1 . . . . . 34 ALA HA . 53479 1 239 . 1 . 1 34 34 ALA HB1 H 1 0.798 0.002 . 1 . . . . . 34 ALA HB# . 53479 1 240 . 1 . 1 34 34 ALA HB2 H 1 0.798 0.002 . 1 . . . . . 34 ALA HB# . 53479 1 241 . 1 . 1 34 34 ALA HB3 H 1 0.798 0.002 . 1 . . . . . 34 ALA HB# . 53479 1 242 . 1 . 1 34 34 ALA C C 13 176.889 0.003 . 1 . . . . . 34 ALA C . 53479 1 243 . 1 . 1 34 34 ALA CA C 13 52.600 0.027 . 1 . . . . . 34 ALA CA . 53479 1 244 . 1 . 1 34 34 ALA CB C 13 17.795 0.028 . 1 . . . . . 34 ALA CB . 53479 1 245 . 1 . 1 34 34 ALA N N 15 123.224 0.034 . 1 . . . . . 34 ALA N . 53479 1 246 . 1 . 1 35 35 VAL H H 1 8.310 0.005 . 1 . . . . . 35 VAL H . 53479 1 247 . 1 . 1 35 35 VAL HA H 1 4.527 0.002 . 1 . . . . . 35 VAL HA . 53479 1 248 . 1 . 1 35 35 VAL HB H 1 2.148 0.004 . 1 . . . . . 35 VAL HB . 53479 1 249 . 1 . 1 35 35 VAL HG11 H 1 0.632 0.002 . 2 . . . . . 35 VAL QG1 . 53479 1 250 . 1 . 1 35 35 VAL HG12 H 1 0.632 0.002 . 2 . . . . . 35 VAL QG1 . 53479 1 251 . 1 . 1 35 35 VAL HG13 H 1 0.632 0.002 . 2 . . . . . 35 VAL QG1 . 53479 1 252 . 1 . 1 35 35 VAL HG21 H 1 0.627 0.003 . 2 . . . . . 35 VAL QG2 . 53479 1 253 . 1 . 1 35 35 VAL HG22 H 1 0.627 0.003 . 2 . . . . . 35 VAL QG2 . 53479 1 254 . 1 . 1 35 35 VAL HG23 H 1 0.627 0.003 . 2 . . . . . 35 VAL QG2 . 53479 1 255 . 1 . 1 35 35 VAL C C 13 175.147 0.016 . 1 . . . . . 35 VAL C . 53479 1 256 . 1 . 1 35 35 VAL CA C 13 59.061 0.056 . 1 . . . . . 35 VAL CA . 53479 1 257 . 1 . 1 35 35 VAL CB C 13 35.323 0.027 . 1 . . . . . 35 VAL CB . 53479 1 258 . 1 . 1 35 35 VAL CG1 C 13 19.598 0.097 . 2 . . . . . 35 VAL CG1 . 53479 1 259 . 1 . 1 35 35 VAL CG2 C 13 18.909 0.010 . 2 . . . . . 35 VAL CG2 . 53479 1 260 . 1 . 1 35 35 VAL N N 15 116.278 0.081 . 1 . . . . . 35 VAL N . 53479 1 261 . 1 . 1 36 36 THR H H 1 8.618 0.002 . 1 . . . . . 36 THR H . 53479 1 262 . 1 . 1 36 36 THR HA H 1 4.619 0.007 . 1 . . . . . 36 THR HA . 53479 1 263 . 1 . 1 36 36 THR HB H 1 4.033 0.003 . 1 . . . . . 36 THR HB . 53479 1 264 . 1 . 1 36 36 THR HG21 H 1 1.158 0.002 . 1 . . . . . 36 THR QG2 . 53479 1 265 . 1 . 1 36 36 THR HG22 H 1 1.158 0.002 . 1 . . . . . 36 THR QG2 . 53479 1 266 . 1 . 1 36 36 THR HG23 H 1 1.158 0.002 . 1 . . . . . 36 THR QG2 . 53479 1 267 . 1 . 1 36 36 THR C C 13 175.243 0.008 . 1 . . . . . 36 THR C . 53479 1 268 . 1 . 1 36 36 THR CA C 13 63.645 0.069 . 1 . . . . . 36 THR CA . 53479 1 269 . 1 . 1 36 36 THR CB C 13 68.828 0.059 . 1 . . . . . 36 THR CB . 53479 1 270 . 1 . 1 36 36 THR CG2 C 13 22.244 0.015 . 1 . . . . . 36 THR CG2 . 53479 1 271 . 1 . 1 36 36 THR N N 15 117.079 0.092 . 1 . . . . . 36 THR N . 53479 1 272 . 1 . 1 37 37 VAL H H 1 9.110 0.006 . 1 . . . . . 37 VAL H . 53479 1 273 . 1 . 1 37 37 VAL HA H 1 4.237 0.002 . 1 . . . . . 37 VAL HA . 53479 1 274 . 1 . 1 37 37 VAL HB H 1 1.670 0.006 . 1 . . . . . 37 VAL HB . 53479 1 275 . 1 . 1 37 37 VAL HG11 H 1 0.649 0.004 . 2 . . . . . 37 VAL QG1 . 53479 1 276 . 1 . 1 37 37 VAL HG12 H 1 0.649 0.004 . 2 . . . . . 37 VAL QG1 . 53479 1 277 . 1 . 1 37 37 VAL HG13 H 1 0.649 0.004 . 2 . . . . . 37 VAL QG1 . 53479 1 278 . 1 . 1 37 37 VAL HG21 H 1 0.622 0.011 . 2 . . . . . 37 VAL QG2 . 53479 1 279 . 1 . 1 37 37 VAL HG22 H 1 0.622 0.011 . 2 . . . . . 37 VAL QG2 . 53479 1 280 . 1 . 1 37 37 VAL HG23 H 1 0.622 0.011 . 2 . . . . . 37 VAL QG2 . 53479 1 281 . 1 . 1 37 37 VAL C C 13 174.520 0.011 . 1 . . . . . 37 VAL C . 53479 1 282 . 1 . 1 37 37 VAL CA C 13 62.136 0.060 . 1 . . . . . 37 VAL CA . 53479 1 283 . 1 . 1 37 37 VAL CB C 13 33.556 0.029 . 1 . . . . . 37 VAL CB . 53479 1 284 . 1 . 1 37 37 VAL CG1 C 13 21.784 0.002 . 2 . . . . . 37 VAL CG1 . 53479 1 285 . 1 . 1 37 37 VAL CG2 C 13 20.181 0.020 . 2 . . . . . 37 VAL CG2 . 53479 1 286 . 1 . 1 37 37 VAL N N 15 132.085 0.080 . 1 . . . . . 37 VAL N . 53479 1 287 . 1 . 1 38 38 SER H H 1 8.531 0.003 . 1 . . . . . 38 SER H . 53479 1 288 . 1 . 1 38 38 SER HA H 1 5.622 0.003 . 1 . . . . . 38 SER HA . 53479 1 289 . 1 . 1 38 38 SER HB2 H 1 3.562 0.011 . 2 . . . . . 38 SER HB2 . 53479 1 290 . 1 . 1 38 38 SER HB3 H 1 3.503 0.031 . 2 . . . . . 38 SER HB3 . 53479 1 291 . 1 . 1 38 38 SER C C 13 172.181 0.004 . 1 . . . . . 38 SER C . 53479 1 292 . 1 . 1 38 38 SER CA C 13 57.173 0.063 . 1 . . . . . 38 SER CA . 53479 1 293 . 1 . 1 38 38 SER CB C 13 67.379 0.041 . 1 . . . . . 38 SER CB . 53479 1 294 . 1 . 1 38 38 SER N N 15 120.711 0.089 . 1 . . . . . 38 SER N . 53479 1 295 . 1 . 1 39 39 TYR H H 1 8.615 0.002 . 1 . . . . . 39 TYR H . 53479 1 296 . 1 . 1 39 39 TYR HA H 1 5.586 0.004 . 1 . . . . . 39 TYR HA . 53479 1 297 . 1 . 1 39 39 TYR HB2 H 1 2.652 0.007 . 2 . . . . . 39 TYR HB2 . 53479 1 298 . 1 . 1 39 39 TYR HB3 H 1 2.430 0.000 . 2 . . . . . 39 TYR HB3 . 53479 1 299 . 1 . 1 39 39 TYR C C 13 175.453 0.003 . 1 . . . . . 39 TYR C . 53479 1 300 . 1 . 1 39 39 TYR CA C 13 56.614 0.038 . 1 . . . . . 39 TYR CA . 53479 1 301 . 1 . 1 39 39 TYR CB C 13 41.537 0.066 . 1 . . . . . 39 TYR CB . 53479 1 302 . 1 . 1 39 39 TYR N N 15 118.842 0.035 . 1 . . . . . 39 TYR N . 53479 1 303 . 1 . 1 40 40 PHE H H 1 9.402 0.005 . 1 . . . . . 40 PHE H . 53479 1 304 . 1 . 1 40 40 PHE HA H 1 4.792 0.005 . 1 . . . . . 40 PHE HA . 53479 1 305 . 1 . 1 40 40 PHE HB2 H 1 2.922 0.006 . 2 . . . . . 40 PHE HB2 . 53479 1 306 . 1 . 1 40 40 PHE HB3 H 1 2.449 0.003 . 2 . . . . . 40 PHE HB3 . 53479 1 307 . 1 . 1 40 40 PHE C C 13 173.944 0.009 . 1 . . . . . 40 PHE C . 53479 1 308 . 1 . 1 40 40 PHE CA C 13 56.821 0.047 . 1 . . . . . 40 PHE CA . 53479 1 309 . 1 . 1 40 40 PHE CB C 13 43.658 0.013 . 1 . . . . . 40 PHE CB . 53479 1 310 . 1 . 1 40 40 PHE N N 15 120.058 0.098 . 1 . . . . . 40 PHE N . 53479 1 311 . 1 . 1 41 41 TYR H H 1 8.982 0.006 . 1 . . . . . 41 TYR H . 53479 1 312 . 1 . 1 41 41 TYR HA H 1 4.569 0.004 . 1 . . . . . 41 TYR HA . 53479 1 313 . 1 . 1 41 41 TYR HB2 H 1 2.606 0.003 . 2 . . . . . 41 TYR HB2 . 53479 1 314 . 1 . 1 41 41 TYR HB3 H 1 2.500 0.006 . 2 . . . . . 41 TYR HB3 . 53479 1 315 . 1 . 1 41 41 TYR C C 13 173.592 0.008 . 1 . . . . . 41 TYR C . 53479 1 316 . 1 . 1 41 41 TYR CA C 13 56.130 0.037 . 1 . . . . . 41 TYR CA . 53479 1 317 . 1 . 1 41 41 TYR CB C 13 40.202 0.047 . 1 . . . . . 41 TYR CB . 53479 1 318 . 1 . 1 41 41 TYR N N 15 121.206 0.020 . 1 . . . . . 41 TYR N . 53479 1 319 . 1 . 1 42 42 ASP H H 1 8.221 0.006 . 1 . . . . . 42 ASP H . 53479 1 320 . 1 . 1 42 42 ASP HA H 1 4.528 0.002 . 1 . . . . . 42 ASP HA . 53479 1 321 . 1 . 1 42 42 ASP HB2 H 1 2.673 0.001 . 2 . . . . . 42 ASP HB2 . 53479 1 322 . 1 . 1 42 42 ASP HB3 H 1 2.132 0.006 . 2 . . . . . 42 ASP HB3 . 53479 1 323 . 1 . 1 42 42 ASP C C 13 175.790 0.004 . 1 . . . . . 42 ASP C . 53479 1 324 . 1 . 1 42 42 ASP CA C 13 51.613 0.079 . 1 . . . . . 42 ASP CA . 53479 1 325 . 1 . 1 42 42 ASP CB C 13 41.481 0.067 . 1 . . . . . 42 ASP CB . 53479 1 326 . 1 . 1 42 42 ASP N N 15 128.384 0.020 . 1 . . . . . 42 ASP N . 53479 1 327 . 1 . 1 43 43 SER H H 1 8.413 0.002 . 1 . . . . . 43 SER H . 53479 1 328 . 1 . 1 43 43 SER HA H 1 3.634 0.004 . 1 . . . . . 43 SER HA . 53479 1 329 . 1 . 1 43 43 SER HB2 H 1 3.994 0.000 . 2 . . . . . 43 SER HB2 . 53479 1 330 . 1 . 1 43 43 SER HB3 H 1 3.763 0.000 . 2 . . . . . 43 SER HB3 . 53479 1 331 . 1 . 1 43 43 SER C C 13 175.527 0.000 . 1 . . . . . 43 SER C . 53479 1 332 . 1 . 1 43 43 SER CA C 13 59.914 0.055 . 1 . . . . . 43 SER CA . 53479 1 333 . 1 . 1 43 43 SER CB C 13 63.047 0.070 . 1 . . . . . 43 SER CB . 53479 1 334 . 1 . 1 43 43 SER N N 15 120.304 0.030 . 1 . . . . . 43 SER N . 53479 1 335 . 1 . 1 44 44 THR H H 1 8.161 0.004 . 1 . . . . . 44 THR H . 53479 1 336 . 1 . 1 44 44 THR HA H 1 4.039 0.010 . 1 . . . . . 44 THR HA . 53479 1 337 . 1 . 1 44 44 THR HB H 1 4.114 0.003 . 1 . . . . . 44 THR HB . 53479 1 338 . 1 . 1 44 44 THR HG21 H 1 1.094 0.004 . 1 . . . . . 44 THR QG2 . 53479 1 339 . 1 . 1 44 44 THR HG22 H 1 1.094 0.004 . 1 . . . . . 44 THR QG2 . 53479 1 340 . 1 . 1 44 44 THR HG23 H 1 1.094 0.004 . 1 . . . . . 44 THR QG2 . 53479 1 341 . 1 . 1 44 44 THR C C 13 175.782 0.012 . 1 . . . . . 44 THR C . 53479 1 342 . 1 . 1 44 44 THR CA C 13 65.048 0.047 . 1 . . . . . 44 THR CA . 53479 1 343 . 1 . 1 44 44 THR CB C 13 68.293 0.063 . 1 . . . . . 44 THR CB . 53479 1 344 . 1 . 1 44 44 THR CG2 C 13 21.707 0.003 . 1 . . . . . 44 THR CG2 . 53479 1 345 . 1 . 1 44 44 THR N N 15 117.862 0.029 . 1 . . . . . 44 THR N . 53479 1 346 . 1 . 1 45 45 ARG H H 1 7.133 0.002 . 1 . . . . . 45 ARG H . 53479 1 347 . 1 . 1 45 45 ARG HA H 1 4.179 0.004 . 1 . . . . . 45 ARG HA . 53479 1 348 . 1 . 1 45 45 ARG HB2 H 1 1.785 0.002 . 2 . . . . . 45 ARG HB2 . 53479 1 349 . 1 . 1 45 45 ARG HB3 H 1 1.119 0.003 . 2 . . . . . 45 ARG HB3 . 53479 1 350 . 1 . 1 45 45 ARG C C 13 175.231 0.006 . 1 . . . . . 45 ARG C . 53479 1 351 . 1 . 1 45 45 ARG CA C 13 55.396 0.030 . 1 . . . . . 45 ARG CA . 53479 1 352 . 1 . 1 45 45 ARG CB C 13 31.825 0.076 . 1 . . . . . 45 ARG CB . 53479 1 353 . 1 . 1 45 45 ARG N N 15 118.745 0.035 . 1 . . . . . 45 ARG N . 53479 1 354 . 1 . 1 46 46 ASN H H 1 7.863 0.006 . 1 . . . . . 46 ASN H . 53479 1 355 . 1 . 1 46 46 ASN HA H 1 3.991 0.002 . 1 . . . . . 46 ASN HA . 53479 1 356 . 1 . 1 46 46 ASN HB2 H 1 3.187 0.002 . 2 . . . . . 46 ASN HB2 . 53479 1 357 . 1 . 1 46 46 ASN HB3 H 1 2.550 0.001 . 2 . . . . . 46 ASN HB3 . 53479 1 358 . 1 . 1 46 46 ASN C C 13 173.609 0.004 . 1 . . . . . 46 ASN C . 53479 1 359 . 1 . 1 46 46 ASN CA C 13 53.835 0.064 . 1 . . . . . 46 ASN CA . 53479 1 360 . 1 . 1 46 46 ASN CB C 13 36.499 0.023 . 1 . . . . . 46 ASN CB . 53479 1 361 . 1 . 1 46 46 ASN N N 15 117.886 0.025 . 1 . . . . . 46 ASN N . 53479 1 362 . 1 . 1 47 47 VAL H H 1 6.898 0.005 . 1 . . . . . 47 VAL H . 53479 1 363 . 1 . 1 47 47 VAL HA H 1 4.593 0.003 . 1 . . . . . 47 VAL HA . 53479 1 364 . 1 . 1 47 47 VAL HB H 1 1.953 0.004 . 1 . . . . . 47 VAL HB . 53479 1 365 . 1 . 1 47 47 VAL HG11 H 1 0.608 0.004 . 2 . . . . . 47 VAL QG . 53479 1 366 . 1 . 1 47 47 VAL HG12 H 1 0.608 0.004 . 2 . . . . . 47 VAL QG . 53479 1 367 . 1 . 1 47 47 VAL HG13 H 1 0.608 0.004 . 2 . . . . . 47 VAL QG . 53479 1 368 . 1 . 1 47 47 VAL HG21 H 1 0.790 0.004 . 2 . . . . . 47 VAL QG . 53479 1 369 . 1 . 1 47 47 VAL HG22 H 1 0.790 0.004 . 2 . . . . . 47 VAL QG . 53479 1 370 . 1 . 1 47 47 VAL HG23 H 1 0.790 0.004 . 2 . . . . . 47 VAL QG . 53479 1 371 . 1 . 1 47 47 VAL C C 13 173.282 0.005 . 1 . . . . . 47 VAL C . 53479 1 372 . 1 . 1 47 47 VAL CA C 13 59.128 0.043 . 1 . . . . . 47 VAL CA . 53479 1 373 . 1 . 1 47 47 VAL CB C 13 36.224 0.066 . 1 . . . . . 47 VAL CB . 53479 1 374 . 1 . 1 47 47 VAL N N 15 110.503 0.045 . 1 . . . . . 47 VAL N . 53479 1 375 . 1 . 1 48 48 TYR H H 1 9.435 0.004 . 1 . . . . . 48 TYR H . 53479 1 376 . 1 . 1 48 48 TYR HA H 1 5.158 0.005 . 1 . . . . . 48 TYR HA . 53479 1 377 . 1 . 1 48 48 TYR HB2 H 1 2.684 0.003 . 2 . . . . . 48 TYR HB2 . 53479 1 378 . 1 . 1 48 48 TYR HB3 H 1 2.411 0.001 . 2 . . . . . 48 TYR HB3 . 53479 1 379 . 1 . 1 48 48 TYR C C 13 175.122 0.004 . 1 . . . . . 48 TYR C . 53479 1 380 . 1 . 1 48 48 TYR CA C 13 57.568 0.084 . 1 . . . . . 48 TYR CA . 53479 1 381 . 1 . 1 48 48 TYR CB C 13 40.872 0.057 . 1 . . . . . 48 TYR CB . 53479 1 382 . 1 . 1 48 48 TYR N N 15 122.632 0.027 . 1 . . . . . 48 TYR N . 53479 1 383 . 1 . 1 49 49 ARG H H 1 9.103 0.003 . 1 . . . . . 49 ARG H . 53479 1 384 . 1 . 1 49 49 ARG HA H 1 5.272 0.002 . 1 . . . . . 49 ARG HA . 53479 1 385 . 1 . 1 49 49 ARG HB2 H 1 1.646 0.010 . 2 . . . . . 49 ARG HB2 . 53479 1 386 . 1 . 1 49 49 ARG HB3 H 1 1.331 0.008 . 2 . . . . . 49 ARG HB3 . 53479 1 387 . 1 . 1 49 49 ARG C C 13 174.596 0.006 . 1 . . . . . 49 ARG C . 53479 1 388 . 1 . 1 49 49 ARG CA C 13 54.171 0.027 . 1 . . . . . 49 ARG CA . 53479 1 389 . 1 . 1 49 49 ARG CB C 13 35.023 0.037 . 1 . . . . . 49 ARG CB . 53479 1 390 . 1 . 1 49 49 ARG N N 15 118.764 0.032 . 1 . . . . . 49 ARG N . 53479 1 391 . 1 . 1 50 50 ILE H H 1 8.935 0.002 . 1 . . . . . 50 ILE H . 53479 1 392 . 1 . 1 50 50 ILE HA H 1 4.757 0.004 . 1 . . . . . 50 ILE HA . 53479 1 393 . 1 . 1 50 50 ILE HB H 1 1.373 0.004 . 1 . . . . . 50 ILE HB . 53479 1 394 . 1 . 1 50 50 ILE HG21 H 1 0.539 0.008 . 1 . . . . . 50 ILE QG2 . 53479 1 395 . 1 . 1 50 50 ILE HG22 H 1 0.539 0.008 . 1 . . . . . 50 ILE QG2 . 53479 1 396 . 1 . 1 50 50 ILE HG23 H 1 0.539 0.008 . 1 . . . . . 50 ILE QG2 . 53479 1 397 . 1 . 1 50 50 ILE C C 13 174.594 0.012 . 1 . . . . . 50 ILE C . 53479 1 398 . 1 . 1 50 50 ILE CA C 13 59.945 0.061 . 1 . . . . . 50 ILE CA . 53479 1 399 . 1 . 1 50 50 ILE CB C 13 39.836 0.044 . 1 . . . . . 50 ILE CB . 53479 1 400 . 1 . 1 50 50 ILE CG2 C 13 17.786 0.022 . 1 . . . . . 50 ILE CG2 . 53479 1 401 . 1 . 1 50 50 ILE N N 15 121.448 0.031 . 1 . . . . . 50 ILE N . 53479 1 402 . 1 . 1 51 51 ILE H H 1 8.951 0.004 . 1 . . . . . 51 ILE H . 53479 1 403 . 1 . 1 51 51 ILE HA H 1 4.877 0.002 . 1 . . . . . 51 ILE HA . 53479 1 404 . 1 . 1 51 51 ILE HB H 1 1.620 0.004 . 1 . . . . . 51 ILE HB . 53479 1 405 . 1 . 1 51 51 ILE HG12 H 1 0.384 0.008 . 1 . . . . . 51 ILE QG1 . 53479 1 406 . 1 . 1 51 51 ILE HG13 H 1 0.384 0.008 . 1 . . . . . 51 ILE QG1 . 53479 1 407 . 1 . 1 51 51 ILE HG21 H 1 0.712 0.002 . 1 . . . . . 51 ILE QG2 . 53479 1 408 . 1 . 1 51 51 ILE HG22 H 1 0.712 0.002 . 1 . . . . . 51 ILE QG2 . 53479 1 409 . 1 . 1 51 51 ILE HG23 H 1 0.712 0.002 . 1 . . . . . 51 ILE QG2 . 53479 1 410 . 1 . 1 51 51 ILE C C 13 175.634 0.011 . 1 . . . . . 51 ILE C . 53479 1 411 . 1 . 1 51 51 ILE CA C 13 58.541 0.068 . 1 . . . . . 51 ILE CA . 53479 1 412 . 1 . 1 51 51 ILE CB C 13 42.056 0.043 . 1 . . . . . 51 ILE CB . 53479 1 413 . 1 . 1 51 51 ILE CG1 C 13 12.350 0.054 . 1 . . . . . 51 ILE CG1 . 53479 1 414 . 1 . 1 51 51 ILE CG2 C 13 16.867 0.018 . 1 . . . . . 51 ILE CG2 . 53479 1 415 . 1 . 1 51 51 ILE N N 15 124.944 0.097 . 1 . . . . . 51 ILE N . 53479 1 416 . 1 . 1 52 52 SER H H 1 8.378 0.008 . 1 . . . . . 52 SER H . 53479 1 417 . 1 . 1 52 52 SER HA H 1 4.805 0.002 . 1 . . . . . 52 SER HA . 53479 1 418 . 1 . 1 52 52 SER HB2 H 1 3.503 0.007 . 2 . . . . . 52 SER HB2 . 53479 1 419 . 1 . 1 52 52 SER HB3 H 1 3.266 0.005 . 2 . . . . . 52 SER HB3 . 53479 1 420 . 1 . 1 52 52 SER C C 13 173.350 0.040 . 1 . . . . . 52 SER C . 53479 1 421 . 1 . 1 52 52 SER CA C 13 57.548 0.021 . 1 . . . . . 52 SER CA . 53479 1 422 . 1 . 1 52 52 SER CB C 13 66.131 0.048 . 1 . . . . . 52 SER CB . 53479 1 423 . 1 . 1 52 52 SER N N 15 121.381 0.085 . 1 . . . . . 52 SER N . 53479 1 424 . 1 . 1 53 53 LEU H H 1 8.960 0.004 . 1 . . . . . 53 LEU H . 53479 1 425 . 1 . 1 53 53 LEU HA H 1 5.022 0.007 . 1 . . . . . 53 LEU HA . 53479 1 426 . 1 . 1 53 53 LEU HB2 H 1 1.571 0.002 . 2 . . . . . 53 LEU HB2 . 53479 1 427 . 1 . 1 53 53 LEU HB3 H 1 1.410 0.004 . 2 . . . . . 53 LEU HB3 . 53479 1 428 . 1 . 1 53 53 LEU HG H 1 0.621 0.004 . 1 . . . . . 53 LEU HG . 53479 1 429 . 1 . 1 53 53 LEU C C 13 175.518 0.005 . 1 . . . . . 53 LEU C . 53479 1 430 . 1 . 1 53 53 LEU CA C 13 54.138 0.052 . 1 . . . . . 53 LEU CA . 53479 1 431 . 1 . 1 53 53 LEU CB C 13 44.480 0.034 . 1 . . . . . 53 LEU CB . 53479 1 432 . 1 . 1 53 53 LEU CG C 13 23.597 0.009 . 1 . . . . . 53 LEU CG . 53479 1 433 . 1 . 1 53 53 LEU N N 15 130.024 0.026 . 1 . . . . . 53 LEU N . 53479 1 434 . 1 . 1 54 54 ASP H H 1 8.714 0.004 . 1 . . . . . 54 ASP H . 53479 1 435 . 1 . 1 54 54 ASP HA H 1 4.802 0.001 . 1 . . . . . 54 ASP HA . 53479 1 436 . 1 . 1 54 54 ASP HB2 H 1 2.752 0.005 . 2 . . . . . 54 ASP HB2 . 53479 1 437 . 1 . 1 54 54 ASP HB3 H 1 2.342 0.009 . 2 . . . . . 54 ASP HB3 . 53479 1 438 . 1 . 1 54 54 ASP C C 13 176.927 0.013 . 1 . . . . . 54 ASP C . 53479 1 439 . 1 . 1 54 54 ASP CA C 13 52.551 0.034 . 1 . . . . . 54 ASP CA . 53479 1 440 . 1 . 1 54 54 ASP CB C 13 41.959 0.074 . 1 . . . . . 54 ASP CB . 53479 1 441 . 1 . 1 54 54 ASP N N 15 120.860 0.020 . 1 . . . . . 54 ASP N . 53479 1 442 . 1 . 1 55 55 GLY H H 1 8.587 0.007 . 1 . . . . . 55 GLY H . 53479 1 443 . 1 . 1 55 55 GLY HA2 H 1 4.031 0.002 . 2 . . . . . 55 GLY HA2 . 53479 1 444 . 1 . 1 55 55 GLY HA3 H 1 3.570 0.000 . 2 . . . . . 55 GLY HA3 . 53479 1 445 . 1 . 1 55 55 GLY C C 13 174.649 0.000 . 1 . . . . . 55 GLY C . 53479 1 446 . 1 . 1 55 55 GLY CA C 13 46.919 0.018 . 1 . . . . . 55 GLY CA . 53479 1 447 . 1 . 1 55 55 GLY N N 15 115.075 0.041 . 1 . . . . . 55 GLY N . 53479 1 448 . 1 . 1 56 56 SER C C 13 173.633 0.005 . 1 . . . . . 56 SER C . 53479 1 449 . 1 . 1 56 56 SER CA C 13 58.450 0.057 . 1 . . . . . 56 SER CA . 53479 1 450 . 1 . 1 56 56 SER CB C 13 63.702 0.022 . 1 . . . . . 56 SER CB . 53479 1 451 . 1 . 1 57 57 LYS H H 1 7.731 0.006 . 1 . . . . . 57 LYS H . 53479 1 452 . 1 . 1 57 57 LYS HA H 1 4.333 0.002 . 1 . . . . . 57 LYS HA . 53479 1 453 . 1 . 1 57 57 LYS HB2 H 1 1.851 0.003 . 2 . . . . . 57 LYS HB2 . 53479 1 454 . 1 . 1 57 57 LYS HB3 H 1 1.759 0.003 . 2 . . . . . 57 LYS HB3 . 53479 1 455 . 1 . 1 57 57 LYS HG2 H 1 1.339 0.005 . 2 . . . . . 57 LYS HG2 . 53479 1 456 . 1 . 1 57 57 LYS HG3 H 1 1.221 0.003 . 2 . . . . . 57 LYS HG3 . 53479 1 457 . 1 . 1 57 57 LYS HD2 H 1 1.616 0.008 . 2 . . . . . 57 LYS HD2 . 53479 1 458 . 1 . 1 57 57 LYS HD3 H 1 1.616 0.008 . 2 . . . . . 57 LYS HD3 . 53479 1 459 . 1 . 1 57 57 LYS HE2 H 1 2.910 0.004 . 2 . . . . . 57 LYS HE2 . 53479 1 460 . 1 . 1 57 57 LYS HE3 H 1 2.910 0.004 . 2 . . . . . 57 LYS HE3 . 53479 1 461 . 1 . 1 57 57 LYS C C 13 174.893 0.025 . 1 . . . . . 57 LYS C . 53479 1 462 . 1 . 1 57 57 LYS CA C 13 55.254 0.035 . 1 . . . . . 57 LYS CA . 53479 1 463 . 1 . 1 57 57 LYS CB C 13 34.082 0.058 . 1 . . . . . 57 LYS CB . 53479 1 464 . 1 . 1 57 57 LYS CG C 13 24.472 0.046 . 1 . . . . . 57 LYS CG . 53479 1 465 . 1 . 1 57 57 LYS CD C 13 29.130 0.009 . 1 . . . . . 57 LYS CD . 53479 1 466 . 1 . 1 57 57 LYS CE C 13 41.872 0.018 . 1 . . . . . 57 LYS CE . 53479 1 467 . 1 . 1 57 57 LYS N N 15 123.015 0.030 . 1 . . . . . 57 LYS N . 53479 1 468 . 1 . 1 58 58 ALA H H 1 8.696 0.005 . 1 . . . . . 58 ALA H . 53479 1 469 . 1 . 1 58 58 ALA HA H 1 4.675 0.011 . 1 . . . . . 58 ALA HA . 53479 1 470 . 1 . 1 58 58 ALA HB1 H 1 1.203 0.003 . 1 . . . . . 58 ALA HB# . 53479 1 471 . 1 . 1 58 58 ALA HB2 H 1 1.203 0.003 . 1 . . . . . 58 ALA HB# . 53479 1 472 . 1 . 1 58 58 ALA HB3 H 1 1.203 0.003 . 1 . . . . . 58 ALA HB# . 53479 1 473 . 1 . 1 58 58 ALA C C 13 177.271 0.004 . 1 . . . . . 58 ALA C . 53479 1 474 . 1 . 1 58 58 ALA CA C 13 52.068 0.032 . 1 . . . . . 58 ALA CA . 53479 1 475 . 1 . 1 58 58 ALA CB C 13 17.299 0.043 . 1 . . . . . 58 ALA CB . 53479 1 476 . 1 . 1 58 58 ALA N N 15 128.202 0.019 . 1 . . . . . 58 ALA N . 53479 1 477 . 1 . 1 59 59 ILE H H 1 8.557 0.003 . 1 . . . . . 59 ILE H . 53479 1 478 . 1 . 1 59 59 ILE HA H 1 4.212 0.002 . 1 . . . . . 59 ILE HA . 53479 1 479 . 1 . 1 59 59 ILE HB H 1 1.788 0.003 . 1 . . . . . 59 ILE HB . 53479 1 480 . 1 . 1 59 59 ILE C C 13 176.148 0.008 . 1 . . . . . 59 ILE C . 53479 1 481 . 1 . 1 59 59 ILE CA C 13 62.524 0.026 . 1 . . . . . 59 ILE CA . 53479 1 482 . 1 . 1 59 59 ILE CB C 13 38.587 0.021 . 1 . . . . . 59 ILE CB . 53479 1 483 . 1 . 1 59 59 ILE N N 15 122.189 0.026 . 1 . . . . . 59 ILE N . 53479 1 484 . 1 . 1 60 60 ILE H H 1 7.521 0.002 . 1 . . . . . 60 ILE H . 53479 1 485 . 1 . 1 60 60 ILE HA H 1 3.770 0.001 . 1 . . . . . 60 ILE HA . 53479 1 486 . 1 . 1 60 60 ILE HB H 1 1.149 0.002 . 1 . . . . . 60 ILE HB . 53479 1 487 . 1 . 1 60 60 ILE HG21 H 1 0.418 0.006 . 1 . . . . . 60 ILE QG2 . 53479 1 488 . 1 . 1 60 60 ILE HG22 H 1 0.418 0.006 . 1 . . . . . 60 ILE QG2 . 53479 1 489 . 1 . 1 60 60 ILE HG23 H 1 0.418 0.006 . 1 . . . . . 60 ILE QG2 . 53479 1 490 . 1 . 1 60 60 ILE C C 13 174.814 0.005 . 1 . . . . . 60 ILE C . 53479 1 491 . 1 . 1 60 60 ILE CA C 13 62.193 0.068 . 1 . . . . . 60 ILE CA . 53479 1 492 . 1 . 1 60 60 ILE CB C 13 42.207 0.029 . 1 . . . . . 60 ILE CB . 53479 1 493 . 1 . 1 60 60 ILE CG2 C 13 16.901 0.017 . 1 . . . . . 60 ILE CG2 . 53479 1 494 . 1 . 1 60 60 ILE N N 15 117.441 0.088 . 1 . . . . . 60 ILE N . 53479 1 495 . 1 . 1 61 61 ASN H H 1 7.994 0.008 . 1 . . . . . 61 ASN H . 53479 1 496 . 1 . 1 61 61 ASN HA H 1 5.110 0.002 . 1 . . . . . 61 ASN HA . 53479 1 497 . 1 . 1 61 61 ASN HB2 H 1 2.847 0.008 . 2 . . . . . 61 ASN HB2 . 53479 1 498 . 1 . 1 61 61 ASN HB3 H 1 2.460 0.005 . 2 . . . . . 61 ASN HB3 . 53479 1 499 . 1 . 1 61 61 ASN C C 13 174.566 0.008 . 1 . . . . . 61 ASN C . 53479 1 500 . 1 . 1 61 61 ASN CA C 13 53.162 0.065 . 1 . . . . . 61 ASN CA . 53479 1 501 . 1 . 1 61 61 ASN CB C 13 37.804 0.072 . 1 . . . . . 61 ASN CB . 53479 1 502 . 1 . 1 61 61 ASN N N 15 124.264 0.040 . 1 . . . . . 61 ASN N . 53479 1 503 . 1 . 1 62 62 SER H H 1 8.904 0.004 . 1 . . . . . 62 SER H . 53479 1 504 . 1 . 1 62 62 SER HA H 1 5.139 0.014 . 1 . . . . . 62 SER HA . 53479 1 505 . 1 . 1 62 62 SER HB2 H 1 3.894 0.003 . 2 . . . . . 62 SER HB2 . 53479 1 506 . 1 . 1 62 62 SER HB3 H 1 3.765 0.006 . 2 . . . . . 62 SER HB3 . 53479 1 507 . 1 . 1 62 62 SER C C 13 174.316 0.001 . 1 . . . . . 62 SER C . 53479 1 508 . 1 . 1 62 62 SER CA C 13 57.249 0.089 . 1 . . . . . 62 SER CA . 53479 1 509 . 1 . 1 62 62 SER CB C 13 66.139 0.031 . 1 . . . . . 62 SER CB . 53479 1 510 . 1 . 1 62 62 SER N N 15 118.709 0.021 . 1 . . . . . 62 SER N . 53479 1 511 . 1 . 1 63 63 THR H H 1 8.962 0.009 . 1 . . . . . 63 THR H . 53479 1 512 . 1 . 1 63 63 THR HA H 1 4.540 0.005 . 1 . . . . . 63 THR HA . 53479 1 513 . 1 . 1 63 63 THR HB H 1 4.035 0.002 . 1 . . . . . 63 THR HB . 53479 1 514 . 1 . 1 63 63 THR C C 13 173.959 0.038 . 1 . . . . . 63 THR C . 53479 1 515 . 1 . 1 63 63 THR CA C 13 63.046 0.071 . 1 . . . . . 63 THR CA . 53479 1 516 . 1 . 1 63 63 THR CB C 13 69.661 0.080 . 1 . . . . . 63 THR CB . 53479 1 517 . 1 . 1 63 63 THR N N 15 123.445 0.050 . 1 . . . . . 63 THR N . 53479 1 518 . 1 . 1 64 64 ILE H H 1 8.719 0.005 . 1 . . . . . 64 ILE H . 53479 1 519 . 1 . 1 64 64 ILE HA H 1 3.861 0.003 . 1 . . . . . 64 ILE HA . 53479 1 520 . 1 . 1 64 64 ILE HB H 1 1.850 0.006 . 1 . . . . . 64 ILE HB . 53479 1 521 . 1 . 1 64 64 ILE HG21 H 1 0.499 0.002 . 1 . . . . . 64 ILE QG2 . 53479 1 522 . 1 . 1 64 64 ILE HG22 H 1 0.499 0.002 . 1 . . . . . 64 ILE QG2 . 53479 1 523 . 1 . 1 64 64 ILE HG23 H 1 0.499 0.002 . 1 . . . . . 64 ILE QG2 . 53479 1 524 . 1 . 1 64 64 ILE C C 13 174.724 0.006 . 1 . . . . . 64 ILE C . 53479 1 525 . 1 . 1 64 64 ILE CA C 13 62.556 0.052 . 1 . . . . . 64 ILE CA . 53479 1 526 . 1 . 1 64 64 ILE CB C 13 36.130 0.030 . 1 . . . . . 64 ILE CB . 53479 1 527 . 1 . 1 64 64 ILE CG2 C 13 12.171 0.043 . 1 . . . . . 64 ILE CG2 . 53479 1 528 . 1 . 1 64 64 ILE N N 15 125.892 0.088 . 1 . . . . . 64 ILE N . 53479 1 529 . 1 . 1 65 65 THR H H 1 6.754 0.003 . 1 . . . . . 65 THR H . 53479 1 530 . 1 . 1 65 65 THR HA H 1 4.913 0.006 . 1 . . . . . 65 THR HA . 53479 1 531 . 1 . 1 65 65 THR HB H 1 3.903 0.000 . 1 . . . . . 65 THR HB . 53479 1 532 . 1 . 1 65 65 THR C C 13 172.964 0.000 . 1 . . . . . 65 THR C . 53479 1 533 . 1 . 1 65 65 THR CA C 13 58.821 0.086 . 1 . . . . . 65 THR CA . 53479 1 534 . 1 . 1 65 65 THR CB C 13 68.832 0.075 . 1 . . . . . 65 THR CB . 53479 1 535 . 1 . 1 65 65 THR N N 15 118.679 0.094 . 1 . . . . . 65 THR N . 53479 1 536 . 1 . 1 67 67 ASN C C 13 174.793 0.012 . 1 . . . . . 67 ASN C . 53479 1 537 . 1 . 1 67 67 ASN CA C 13 53.090 0.016 . 1 . . . . . 67 ASN CA . 53479 1 538 . 1 . 1 67 67 ASN CB C 13 39.338 0.055 . 1 . . . . . 67 ASN CB . 53479 1 539 . 1 . 1 68 68 ILE H H 1 7.360 0.003 . 1 . . . . . 68 ILE H . 53479 1 540 . 1 . 1 68 68 ILE HA H 1 4.706 0.000 . 1 . . . . . 68 ILE HA . 53479 1 541 . 1 . 1 68 68 ILE HB H 1 2.147 0.006 . 1 . . . . . 68 ILE HB . 53479 1 542 . 1 . 1 68 68 ILE HG21 H 1 1.037 0.002 . 1 . . . . . 68 ILE QG2 . 53479 1 543 . 1 . 1 68 68 ILE HG22 H 1 1.037 0.002 . 1 . . . . . 68 ILE QG2 . 53479 1 544 . 1 . 1 68 68 ILE HG23 H 1 1.037 0.002 . 1 . . . . . 68 ILE QG2 . 53479 1 545 . 1 . 1 68 68 ILE C C 13 175.029 0.015 . 1 . . . . . 68 ILE C . 53479 1 546 . 1 . 1 68 68 ILE CA C 13 61.345 0.063 . 1 . . . . . 68 ILE CA . 53479 1 547 . 1 . 1 68 68 ILE CB C 13 39.567 0.083 . 1 . . . . . 68 ILE CB . 53479 1 548 . 1 . 1 68 68 ILE CG2 C 13 17.793 0.016 . 1 . . . . . 68 ILE CG2 . 53479 1 549 . 1 . 1 68 68 ILE N N 15 121.169 0.093 . 1 . . . . . 68 ILE N . 53479 1 550 . 1 . 1 69 69 THR H H 1 8.726 0.006 . 1 . . . . . 69 THR H . 53479 1 551 . 1 . 1 69 69 THR HA H 1 4.666 0.008 . 1 . . . . . 69 THR HA . 53479 1 552 . 1 . 1 69 69 THR HB H 1 3.944 0.007 . 1 . . . . . 69 THR HB . 53479 1 553 . 1 . 1 69 69 THR HG21 H 1 1.106 0.000 . 1 . . . . . 69 THR QG2 . 53479 1 554 . 1 . 1 69 69 THR HG22 H 1 1.106 0.000 . 1 . . . . . 69 THR QG2 . 53479 1 555 . 1 . 1 69 69 THR HG23 H 1 1.106 0.000 . 1 . . . . . 69 THR QG2 . 53479 1 556 . 1 . 1 69 69 THR C C 13 172.142 0.007 . 1 . . . . . 69 THR C . 53479 1 557 . 1 . 1 69 69 THR CA C 13 61.494 0.067 . 1 . . . . . 69 THR CA . 53479 1 558 . 1 . 1 69 69 THR CB C 13 72.144 0.040 . 1 . . . . . 69 THR CB . 53479 1 559 . 1 . 1 69 69 THR N N 15 119.684 0.042 . 1 . . . . . 69 THR N . 53479 1 560 . 1 . 1 70 70 PHE H H 1 8.387 0.007 . 1 . . . . . 70 PHE H . 53479 1 561 . 1 . 1 70 70 PHE HA H 1 5.013 0.004 . 1 . . . . . 70 PHE HA . 53479 1 562 . 1 . 1 70 70 PHE HB2 H 1 2.284 0.013 . 2 . . . . . 70 PHE HB2 . 53479 1 563 . 1 . 1 70 70 PHE HB3 H 1 0.936 0.013 . 2 . . . . . 70 PHE HB3 . 53479 1 564 . 1 . 1 70 70 PHE C C 13 174.835 0.012 . 1 . . . . . 70 PHE C . 53479 1 565 . 1 . 1 70 70 PHE CA C 13 56.659 0.072 . 1 . . . . . 70 PHE CA . 53479 1 566 . 1 . 1 70 70 PHE CB C 13 39.068 0.019 . 1 . . . . . 70 PHE CB . 53479 1 567 . 1 . 1 70 70 PHE N N 15 128.266 0.034 . 1 . . . . . 70 PHE N . 53479 1 568 . 1 . 1 71 71 THR H H 1 8.535 0.005 . 1 . . . . . 71 THR H . 53479 1 569 . 1 . 1 71 71 THR HA H 1 4.323 0.001 . 1 . . . . . 71 THR HA . 53479 1 570 . 1 . 1 71 71 THR HB H 1 3.642 0.003 . 1 . . . . . 71 THR HB . 53479 1 571 . 1 . 1 71 71 THR HG21 H 1 1.007 0.004 . 1 . . . . . 71 THR QG2 . 53479 1 572 . 1 . 1 71 71 THR HG22 H 1 1.007 0.004 . 1 . . . . . 71 THR QG2 . 53479 1 573 . 1 . 1 71 71 THR HG23 H 1 1.007 0.004 . 1 . . . . . 71 THR QG2 . 53479 1 574 . 1 . 1 71 71 THR C C 13 172.871 0.001 . 1 . . . . . 71 THR C . 53479 1 575 . 1 . 1 71 71 THR CA C 13 60.718 0.031 . 1 . . . . . 71 THR CA . 53479 1 576 . 1 . 1 71 71 THR CB C 13 70.956 0.029 . 1 . . . . . 71 THR CB . 53479 1 577 . 1 . 1 71 71 THR CG2 C 13 21.478 0.002 . 1 . . . . . 71 THR CG2 . 53479 1 578 . 1 . 1 71 71 THR N N 15 123.822 0.034 . 1 . . . . . 71 THR N . 53479 1 579 . 1 . 1 72 72 LYS H H 1 8.738 0.004 . 1 . . . . . 72 LYS H . 53479 1 580 . 1 . 1 72 72 LYS HA H 1 4.466 0.002 . 1 . . . . . 72 LYS HA . 53479 1 581 . 1 . 1 72 72 LYS C C 13 175.986 0.002 . 1 . . . . . 72 LYS C . 53479 1 582 . 1 . 1 72 72 LYS CA C 13 56.519 0.071 . 1 . . . . . 72 LYS CA . 53479 1 583 . 1 . 1 72 72 LYS CB C 13 32.302 0.089 . 1 . . . . . 72 LYS CB . 53479 1 584 . 1 . 1 72 72 LYS N N 15 126.674 0.032 . 1 . . . . . 72 LYS N . 53479 1 585 . 1 . 1 73 73 THR H H 1 8.619 0.003 . 1 . . . . . 73 THR H . 53479 1 586 . 1 . 1 73 73 THR HA H 1 4.289 0.006 . 1 . . . . . 73 THR HA . 53479 1 587 . 1 . 1 73 73 THR HB H 1 4.154 0.008 . 1 . . . . . 73 THR HB . 53479 1 588 . 1 . 1 73 73 THR HG21 H 1 1.091 0.005 . 1 . . . . . 73 THR QG2 . 53479 1 589 . 1 . 1 73 73 THR HG22 H 1 1.091 0.005 . 1 . . . . . 73 THR QG2 . 53479 1 590 . 1 . 1 73 73 THR HG23 H 1 1.091 0.005 . 1 . . . . . 73 THR QG2 . 53479 1 591 . 1 . 1 73 73 THR C C 13 174.244 0.009 . 1 . . . . . 73 THR C . 53479 1 592 . 1 . 1 73 73 THR CA C 13 63.273 0.047 . 1 . . . . . 73 THR CA . 53479 1 593 . 1 . 1 73 73 THR CB C 13 69.221 0.037 . 1 . . . . . 73 THR CB . 53479 1 594 . 1 . 1 73 73 THR CG2 C 13 22.040 0.065 . 1 . . . . . 73 THR CG2 . 53479 1 595 . 1 . 1 73 73 THR N N 15 120.275 0.028 . 1 . . . . . 73 THR N . 53479 1 596 . 1 . 1 74 74 SER H H 1 8.443 0.002 . 1 . . . . . 74 SER H . 53479 1 597 . 1 . 1 74 74 SER HA H 1 4.518 0.004 . 1 . . . . . 74 SER HA . 53479 1 598 . 1 . 1 74 74 SER HB2 H 1 4.068 0.003 . 2 . . . . . 74 SER HB2 . 53479 1 599 . 1 . 1 74 74 SER HB3 H 1 3.917 0.002 . 2 . . . . . 74 SER HB3 . 53479 1 600 . 1 . 1 74 74 SER C C 13 173.668 0.000 . 1 . . . . . 74 SER C . 53479 1 601 . 1 . 1 74 74 SER CA C 13 57.288 0.081 . 1 . . . . . 74 SER CA . 53479 1 602 . 1 . 1 74 74 SER CB C 13 63.614 0.025 . 1 . . . . . 74 SER CB . 53479 1 603 . 1 . 1 74 74 SER N N 15 116.238 0.023 . 1 . . . . . 74 SER N . 53479 1 604 . 1 . 1 76 76 LYS CA C 13 55.543 0.015 . 1 . . . . . 76 LYS CA . 53479 1 605 . 1 . 1 76 76 LYS CB C 13 33.576 0.040 . 1 . . . . . 76 LYS CB . 53479 1 606 . 1 . 1 77 77 PHE H H 1 7.414 0.007 . 1 . . . . . 77 PHE H . 53479 1 607 . 1 . 1 77 77 PHE HA H 1 5.938 0.003 . 1 . . . . . 77 PHE HA . 53479 1 608 . 1 . 1 77 77 PHE HB2 H 1 2.816 0.001 . 2 . . . . . 77 PHE HB2 . 53479 1 609 . 1 . 1 77 77 PHE HB3 H 1 2.520 0.009 . 2 . . . . . 77 PHE HB3 . 53479 1 610 . 1 . 1 77 77 PHE C C 13 174.050 0.037 . 1 . . . . . 77 PHE C . 53479 1 611 . 1 . 1 77 77 PHE CA C 13 56.378 0.036 . 1 . . . . . 77 PHE CA . 53479 1 612 . 1 . 1 77 77 PHE CB C 13 44.084 0.042 . 1 . . . . . 77 PHE CB . 53479 1 613 . 1 . 1 77 77 PHE N N 15 123.878 0.021 . 1 . . . . . 77 PHE N . 53479 1 614 . 1 . 1 78 78 GLY H H 1 8.081 0.004 . 1 . . . . . 78 GLY H . 53479 1 615 . 1 . 1 78 78 GLY HA2 H 1 4.809 0.006 . 2 . . . . . 78 GLY HA2 . 53479 1 616 . 1 . 1 78 78 GLY HA3 H 1 4.800 0.008 . 2 . . . . . 78 GLY HA3 . 53479 1 617 . 1 . 1 78 78 GLY C C 13 169.715 0.000 . 1 . . . . . 78 GLY C . 53479 1 618 . 1 . 1 78 78 GLY CA C 13 45.292 0.042 . 1 . . . . . 78 GLY CA . 53479 1 619 . 1 . 1 78 78 GLY N N 15 112.194 0.019 . 1 . . . . . 78 GLY N . 53479 1 620 . 1 . 1 79 79 GLN H H 1 8.100 0.006 . 1 . . . . . 79 GLN H . 53479 1 621 . 1 . 1 79 79 GLN HA H 1 5.668 0.002 . 1 . . . . . 79 GLN HA . 53479 1 622 . 1 . 1 79 79 GLN HB2 H 1 2.015 0.010 . 2 . . . . . 79 GLN HB2 . 53479 1 623 . 1 . 1 79 79 GLN HB3 H 1 1.873 0.012 . 2 . . . . . 79 GLN HB3 . 53479 1 624 . 1 . 1 79 79 GLN C C 13 173.801 0.012 . 1 . . . . . 79 GLN C . 53479 1 625 . 1 . 1 79 79 GLN CA C 13 53.793 0.057 . 1 . . . . . 79 GLN CA . 53479 1 626 . 1 . 1 79 79 GLN CB C 13 34.888 0.050 . 1 . . . . . 79 GLN CB . 53479 1 627 . 1 . 1 79 79 GLN N N 15 114.149 0.038 . 1 . . . . . 79 GLN N . 53479 1 628 . 1 . 1 80 80 TRP H H 1 9.098 0.005 . 1 . . . . . 80 TRP H . 53479 1 629 . 1 . 1 80 80 TRP HA H 1 5.206 0.004 . 1 . . . . . 80 TRP HA . 53479 1 630 . 1 . 1 80 80 TRP HB2 H 1 3.467 0.002 . 2 . . . . . 80 TRP HB2 . 53479 1 631 . 1 . 1 80 80 TRP HB3 H 1 3.290 0.001 . 2 . . . . . 80 TRP HB3 . 53479 1 632 . 1 . 1 80 80 TRP C C 13 172.263 0.017 . 1 . . . . . 80 TRP C . 53479 1 633 . 1 . 1 80 80 TRP CA C 13 57.838 0.026 . 1 . . . . . 80 TRP CA . 53479 1 634 . 1 . 1 80 80 TRP CB C 13 33.695 0.040 . 1 . . . . . 80 TRP CB . 53479 1 635 . 1 . 1 80 80 TRP N N 15 121.202 0.076 . 1 . . . . . 80 TRP N . 53479 1 636 . 1 . 1 81 81 ALA H H 1 8.602 0.003 . 1 . . . . . 81 ALA H . 53479 1 637 . 1 . 1 81 81 ALA HA H 1 4.850 0.004 . 1 . . . . . 81 ALA HA . 53479 1 638 . 1 . 1 81 81 ALA HB1 H 1 1.412 0.003 . 1 . . . . . 81 ALA HB# . 53479 1 639 . 1 . 1 81 81 ALA HB2 H 1 1.412 0.003 . 1 . . . . . 81 ALA HB# . 53479 1 640 . 1 . 1 81 81 ALA HB3 H 1 1.412 0.003 . 1 . . . . . 81 ALA HB# . 53479 1 641 . 1 . 1 81 81 ALA C C 13 176.462 0.004 . 1 . . . . . 81 ALA C . 53479 1 642 . 1 . 1 81 81 ALA CA C 13 51.069 0.052 . 1 . . . . . 81 ALA CA . 53479 1 643 . 1 . 1 81 81 ALA CB C 13 20.536 0.006 . 1 . . . . . 81 ALA CB . 53479 1 644 . 1 . 1 81 81 ALA N N 15 124.284 0.026 . 1 . . . . . 81 ALA N . 53479 1 645 . 1 . 1 82 82 ASP H H 1 8.442 0.005 . 1 . . . . . 82 ASP H . 53479 1 646 . 1 . 1 82 82 ASP HA H 1 5.108 0.002 . 1 . . . . . 82 ASP HA . 53479 1 647 . 1 . 1 82 82 ASP HB2 H 1 3.057 0.009 . 2 . . . . . 82 ASP HB2 . 53479 1 648 . 1 . 1 82 82 ASP HB3 H 1 2.577 0.006 . 2 . . . . . 82 ASP HB3 . 53479 1 649 . 1 . 1 82 82 ASP C C 13 176.768 0.000 . 1 . . . . . 82 ASP C . 53479 1 650 . 1 . 1 82 82 ASP CA C 13 52.575 0.096 . 1 . . . . . 82 ASP CA . 53479 1 651 . 1 . 1 82 82 ASP CB C 13 43.817 0.042 . 1 . . . . . 82 ASP CB . 53479 1 652 . 1 . 1 82 82 ASP N N 15 122.194 0.020 . 1 . . . . . 82 ASP N . 53479 1 653 . 1 . 1 83 83 SER C C 13 176.225 0.000 . 1 . . . . . 83 SER C . 53479 1 654 . 1 . 1 83 83 SER CA C 13 60.738 0.015 . 1 . . . . . 83 SER CA . 53479 1 655 . 1 . 1 83 83 SER CB C 13 63.009 0.025 . 1 . . . . . 83 SER CB . 53479 1 656 . 1 . 1 84 84 ARG H H 1 8.355 0.002 . 1 . . . . . 84 ARG H . 53479 1 657 . 1 . 1 84 84 ARG HA H 1 3.576 0.000 . 1 . . . . . 84 ARG HA . 53479 1 658 . 1 . 1 84 84 ARG HB2 H 1 1.637 0.002 . 2 . . . . . 84 ARG HB2 . 53479 1 659 . 1 . 1 84 84 ARG HB3 H 1 1.502 0.000 . 2 . . . . . 84 ARG HB3 . 53479 1 660 . 1 . 1 84 84 ARG C C 13 177.422 0.020 . 1 . . . . . 84 ARG C . 53479 1 661 . 1 . 1 84 84 ARG CA C 13 58.136 0.053 . 1 . . . . . 84 ARG CA . 53479 1 662 . 1 . 1 84 84 ARG CB C 13 29.862 0.077 . 1 . . . . . 84 ARG CB . 53479 1 663 . 1 . 1 84 84 ARG N N 15 123.202 0.084 . 1 . . . . . 84 ARG N . 53479 1 664 . 1 . 1 85 85 ALA H H 1 7.922 0.004 . 1 . . . . . 85 ALA H . 53479 1 665 . 1 . 1 85 85 ALA HA H 1 4.310 0.003 . 1 . . . . . 85 ALA HA . 53479 1 666 . 1 . 1 85 85 ALA HB1 H 1 1.379 0.003 . 1 . . . . . 85 ALA HB# . 53479 1 667 . 1 . 1 85 85 ALA HB2 H 1 1.379 0.003 . 1 . . . . . 85 ALA HB# . 53479 1 668 . 1 . 1 85 85 ALA HB3 H 1 1.379 0.003 . 1 . . . . . 85 ALA HB# . 53479 1 669 . 1 . 1 85 85 ALA C C 13 176.956 0.003 . 1 . . . . . 85 ALA C . 53479 1 670 . 1 . 1 85 85 ALA CA C 13 51.706 0.020 . 1 . . . . . 85 ALA CA . 53479 1 671 . 1 . 1 85 85 ALA CB C 13 19.603 0.006 . 1 . . . . . 85 ALA CB . 53479 1 672 . 1 . 1 85 85 ALA N N 15 120.503 0.029 . 1 . . . . . 85 ALA N . 53479 1 673 . 1 . 1 86 86 ASN H H 1 7.994 0.004 . 1 . . . . . 86 ASN H . 53479 1 674 . 1 . 1 86 86 ASN HB2 H 1 3.079 0.008 . 2 . . . . . 86 ASN HB2 . 53479 1 675 . 1 . 1 86 86 ASN HB3 H 1 2.544 0.010 . 2 . . . . . 86 ASN HB3 . 53479 1 676 . 1 . 1 86 86 ASN C C 13 173.828 0.010 . 1 . . . . . 86 ASN C . 53479 1 677 . 1 . 1 86 86 ASN CA C 13 53.606 0.036 . 1 . . . . . 86 ASN CA . 53479 1 678 . 1 . 1 86 86 ASN CB C 13 37.192 0.095 . 1 . . . . . 86 ASN CB . 53479 1 679 . 1 . 1 86 86 ASN N N 15 116.211 0.085 . 1 . . . . . 86 ASN N . 53479 1 680 . 1 . 1 87 87 THR H H 1 7.584 0.004 . 1 . . . . . 87 THR H . 53479 1 681 . 1 . 1 87 87 THR HA H 1 4.404 0.010 . 1 . . . . . 87 THR HA . 53479 1 682 . 1 . 1 87 87 THR HB H 1 3.669 0.009 . 1 . . . . . 87 THR HB . 53479 1 683 . 1 . 1 87 87 THR HG21 H 1 0.435 0.007 . 1 . . . . . 87 THR QG2 . 53479 1 684 . 1 . 1 87 87 THR HG22 H 1 0.435 0.007 . 1 . . . . . 87 THR QG2 . 53479 1 685 . 1 . 1 87 87 THR HG23 H 1 0.435 0.007 . 1 . . . . . 87 THR QG2 . 53479 1 686 . 1 . 1 87 87 THR C C 13 172.303 0.022 . 1 . . . . . 87 THR C . 53479 1 687 . 1 . 1 87 87 THR CA C 13 60.287 0.049 . 1 . . . . . 87 THR CA . 53479 1 688 . 1 . 1 87 87 THR CB C 13 70.374 0.032 . 1 . . . . . 87 THR CB . 53479 1 689 . 1 . 1 87 87 THR CG2 C 13 19.047 0.036 . 1 . . . . . 87 THR CG2 . 53479 1 690 . 1 . 1 87 87 THR N N 15 110.573 0.086 . 1 . . . . . 87 THR N . 53479 1 691 . 1 . 1 88 88 VAL H H 1 7.865 0.007 . 1 . . . . . 88 VAL H . 53479 1 692 . 1 . 1 88 88 VAL HA H 1 4.468 0.000 . 1 . . . . . 88 VAL HA . 53479 1 693 . 1 . 1 88 88 VAL HB H 1 1.633 0.010 . 1 . . . . . 88 VAL HB . 53479 1 694 . 1 . 1 88 88 VAL HG11 H 1 0.799 0.009 . 2 . . . . . 88 VAL QG1 . 53479 1 695 . 1 . 1 88 88 VAL HG12 H 1 0.799 0.009 . 2 . . . . . 88 VAL QG1 . 53479 1 696 . 1 . 1 88 88 VAL HG13 H 1 0.799 0.009 . 2 . . . . . 88 VAL QG1 . 53479 1 697 . 1 . 1 88 88 VAL HG21 H 1 0.736 0.002 . 2 . . . . . 88 VAL QG2 . 53479 1 698 . 1 . 1 88 88 VAL HG22 H 1 0.736 0.002 . 2 . . . . . 88 VAL QG2 . 53479 1 699 . 1 . 1 88 88 VAL HG23 H 1 0.736 0.002 . 2 . . . . . 88 VAL QG2 . 53479 1 700 . 1 . 1 88 88 VAL C C 13 174.494 0.007 . 1 . . . . . 88 VAL C . 53479 1 701 . 1 . 1 88 88 VAL CA C 13 61.387 0.034 . 1 . . . . . 88 VAL CA . 53479 1 702 . 1 . 1 88 88 VAL CB C 13 34.130 0.025 . 1 . . . . . 88 VAL CB . 53479 1 703 . 1 . 1 88 88 VAL CG1 C 13 21.417 0.010 . 2 . . . . . 88 VAL CG1 . 53479 1 704 . 1 . 1 88 88 VAL CG2 C 13 20.983 0.013 . 2 . . . . . 88 VAL CG2 . 53479 1 705 . 1 . 1 88 88 VAL N N 15 124.677 0.094 . 1 . . . . . 88 VAL N . 53479 1 706 . 1 . 1 89 89 TYR H H 1 8.485 0.006 . 1 . . . . . 89 TYR H . 53479 1 707 . 1 . 1 89 89 TYR HA H 1 5.021 0.007 . 1 . . . . . 89 TYR HA . 53479 1 708 . 1 . 1 89 89 TYR C C 13 174.310 0.000 . 1 . . . . . 89 TYR C . 53479 1 709 . 1 . 1 89 89 TYR CA C 13 57.302 0.053 . 1 . . . . . 89 TYR CA . 53479 1 710 . 1 . 1 89 89 TYR CB C 13 40.425 0.095 . 1 . . . . . 89 TYR CB . 53479 1 711 . 1 . 1 89 89 TYR N N 15 124.782 0.035 . 1 . . . . . 89 TYR N . 53479 1 712 . 1 . 1 90 90 GLY H H 1 8.710 0.005 . 1 . . . . . 90 GLY H . 53479 1 713 . 1 . 1 90 90 GLY HA2 H 1 2.410 0.019 . 2 . . . . . 90 GLY HA2 . 53479 1 714 . 1 . 1 90 90 GLY HA3 H 1 2.369 0.019 . 2 . . . . . 90 GLY HA3 . 53479 1 715 . 1 . 1 90 90 GLY C C 13 170.971 0.000 . 1 . . . . . 90 GLY C . 53479 1 716 . 1 . 1 90 90 GLY CA C 13 44.207 0.042 . 1 . . . . . 90 GLY CA . 53479 1 717 . 1 . 1 90 90 GLY N N 15 108.673 0.039 . 1 . . . . . 90 GLY N . 53479 1 718 . 1 . 1 91 91 LEU H H 1 8.302 0.005 . 1 . . . . . 91 LEU H . 53479 1 719 . 1 . 1 91 91 LEU HA H 1 5.049 0.005 . 1 . . . . . 91 LEU HA . 53479 1 720 . 1 . 1 91 91 LEU HB2 H 1 1.221 0.012 . 2 . . . . . 91 LEU HB2 . 53479 1 721 . 1 . 1 91 91 LEU HB3 H 1 0.227 0.004 . 2 . . . . . 91 LEU HB3 . 53479 1 722 . 1 . 1 91 91 LEU C C 13 173.599 0.009 . 1 . . . . . 91 LEU C . 53479 1 723 . 1 . 1 91 91 LEU CA C 13 52.476 0.017 . 1 . . . . . 91 LEU CA . 53479 1 724 . 1 . 1 91 91 LEU CB C 13 45.821 0.037 . 1 . . . . . 91 LEU CB . 53479 1 725 . 1 . 1 91 91 LEU N N 15 122.748 0.028 . 1 . . . . . 91 LEU N . 53479 1 726 . 1 . 1 92 92 GLY H H 1 9.066 0.006 . 1 . . . . . 92 GLY H . 53479 1 727 . 1 . 1 92 92 GLY HA2 H 1 4.910 0.005 . 2 . . . . . 92 GLY HA2 . 53479 1 728 . 1 . 1 92 92 GLY HA3 H 1 4.910 0.005 . 2 . . . . . 92 GLY HA3 . 53479 1 729 . 1 . 1 92 92 GLY C C 13 174.160 0.006 . 1 . . . . . 92 GLY C . 53479 1 730 . 1 . 1 92 92 GLY CA C 13 44.811 0.060 . 1 . . . . . 92 GLY CA . 53479 1 731 . 1 . 1 92 92 GLY N N 15 106.527 0.042 . 1 . . . . . 92 GLY N . 53479 1 732 . 1 . 1 93 93 PHE H H 1 9.188 0.005 . 1 . . . . . 93 PHE H . 53479 1 733 . 1 . 1 93 93 PHE HA H 1 4.739 0.010 . 1 . . . . . 93 PHE HA . 53479 1 734 . 1 . 1 93 93 PHE HB2 H 1 2.845 0.010 . 2 . . . . . 93 PHE HB2 . 53479 1 735 . 1 . 1 93 93 PHE HB3 H 1 2.777 0.007 . 2 . . . . . 93 PHE HB3 . 53479 1 736 . 1 . 1 93 93 PHE C C 13 176.132 0.000 . 1 . . . . . 93 PHE C . 53479 1 737 . 1 . 1 93 93 PHE CA C 13 57.892 0.078 . 1 . . . . . 93 PHE CA . 53479 1 738 . 1 . 1 93 93 PHE CB C 13 42.470 0.052 . 1 . . . . . 93 PHE CB . 53479 1 739 . 1 . 1 93 93 PHE N N 15 124.292 0.032 . 1 . . . . . 93 PHE N . 53479 1 740 . 1 . 1 94 94 SER CA C 13 60.133 0.035 . 1 . . . . . 94 SER CA . 53479 1 741 . 1 . 1 94 94 SER CB C 13 63.409 0.000 . 1 . . . . . 94 SER CB . 53479 1 742 . 1 . 1 95 95 SER H H 1 7.483 0.005 . 1 . . . . . 95 SER H . 53479 1 743 . 1 . 1 95 95 SER HA H 1 4.659 0.004 . 1 . . . . . 95 SER HA . 53479 1 744 . 1 . 1 95 95 SER HB2 H 1 4.057 0.003 . 2 . . . . . 95 SER HB2 . 53479 1 745 . 1 . 1 95 95 SER HB3 H 1 3.778 0.000 . 2 . . . . . 95 SER HB3 . 53479 1 746 . 1 . 1 95 95 SER C C 13 173.936 0.000 . 1 . . . . . 95 SER C . 53479 1 747 . 1 . 1 95 95 SER CA C 13 56.721 0.034 . 1 . . . . . 95 SER CA . 53479 1 748 . 1 . 1 95 95 SER CB C 13 66.332 0.037 . 1 . . . . . 95 SER CB . 53479 1 749 . 1 . 1 95 95 SER N N 15 112.274 0.000 . 1 . . . . . 95 SER N . 53479 1 750 . 1 . 1 97 97 HIS C C 13 177.700 0.004 . 1 . . . . . 97 HIS C . 53479 1 751 . 1 . 1 97 97 HIS CA C 13 59.223 0.020 . 1 . . . . . 97 HIS CA . 53479 1 752 . 1 . 1 97 97 HIS CB C 13 30.078 0.034 . 1 . . . . . 97 HIS CB . 53479 1 753 . 1 . 1 98 98 HIS H H 1 7.573 0.004 . 1 . . . . . 98 HIS H . 53479 1 754 . 1 . 1 98 98 HIS HA H 1 4.307 0.006 . 1 . . . . . 98 HIS HA . 53479 1 755 . 1 . 1 98 98 HIS HB2 H 1 3.403 0.003 . 2 . . . . . 98 HIS HB2 . 53479 1 756 . 1 . 1 98 98 HIS HB3 H 1 3.218 0.000 . 2 . . . . . 98 HIS HB3 . 53479 1 757 . 1 . 1 98 98 HIS C C 13 178.594 0.010 . 1 . . . . . 98 HIS C . 53479 1 758 . 1 . 1 98 98 HIS CA C 13 59.563 0.034 . 1 . . . . . 98 HIS CA . 53479 1 759 . 1 . 1 98 98 HIS CB C 13 31.906 0.017 . 1 . . . . . 98 HIS CB . 53479 1 760 . 1 . 1 98 98 HIS N N 15 118.043 0.013 . 1 . . . . . 98 HIS N . 53479 1 761 . 1 . 1 99 99 LEU H H 1 7.069 0.004 . 1 . . . . . 99 LEU H . 53479 1 762 . 1 . 1 99 99 LEU HA H 1 2.523 0.001 . 1 . . . . . 99 LEU HA . 53479 1 763 . 1 . 1 99 99 LEU HB2 H 1 1.926 0.009 . 2 . . . . . 99 LEU HB2 . 53479 1 764 . 1 . 1 99 99 LEU HB3 H 1 1.094 0.003 . 2 . . . . . 99 LEU HB3 . 53479 1 765 . 1 . 1 99 99 LEU C C 13 177.850 0.011 . 1 . . . . . 99 LEU C . 53479 1 766 . 1 . 1 99 99 LEU CA C 13 58.331 0.044 . 1 . . . . . 99 LEU CA . 53479 1 767 . 1 . 1 99 99 LEU CB C 13 40.461 0.019 . 1 . . . . . 99 LEU CB . 53479 1 768 . 1 . 1 99 99 LEU N N 15 122.047 0.092 . 1 . . . . . 99 LEU N . 53479 1 769 . 1 . 1 100 100 SER H H 1 8.422 0.002 . 1 . . . . . 100 SER H . 53479 1 770 . 1 . 1 100 100 SER HA H 1 3.893 0.014 . 1 . . . . . 100 SER HA . 53479 1 771 . 1 . 1 100 100 SER C C 13 177.042 0.000 . 1 . . . . . 100 SER C . 53479 1 772 . 1 . 1 100 100 SER CA C 13 62.157 0.051 . 1 . . . . . 100 SER CA . 53479 1 773 . 1 . 1 100 100 SER N N 15 114.902 0.024 . 1 . . . . . 100 SER N . 53479 1 774 . 1 . 1 101 101 LYS H H 1 7.988 0.004 . 1 . . . . . 101 LYS H . 53479 1 775 . 1 . 1 101 101 LYS HA H 1 3.911 0.005 . 1 . . . . . 101 LYS HA . 53479 1 776 . 1 . 1 101 101 LYS HB2 H 1 1.803 0.014 . 2 . . . . . 101 LYS HB2 . 53479 1 777 . 1 . 1 101 101 LYS HB3 H 1 1.761 0.001 . 2 . . . . . 101 LYS HB3 . 53479 1 778 . 1 . 1 101 101 LYS C C 13 178.198 0.003 . 1 . . . . . 101 LYS C . 53479 1 779 . 1 . 1 101 101 LYS CA C 13 57.772 0.073 . 1 . . . . . 101 LYS CA . 53479 1 780 . 1 . 1 101 101 LYS CB C 13 31.279 0.062 . 1 . . . . . 101 LYS CB . 53479 1 781 . 1 . 1 101 101 LYS N N 15 120.855 0.053 . 1 . . . . . 101 LYS N . 53479 1 782 . 1 . 1 102 102 PHE H H 1 7.764 0.003 . 1 . . . . . 102 PHE H . 53479 1 783 . 1 . 1 102 102 PHE HA H 1 3.713 0.005 . 1 . . . . . 102 PHE HA . 53479 1 784 . 1 . 1 102 102 PHE HB2 H 1 3.099 0.003 . 2 . . . . . 102 PHE HB2 . 53479 1 785 . 1 . 1 102 102 PHE HB3 H 1 2.885 0.001 . 2 . . . . . 102 PHE HB3 . 53479 1 786 . 1 . 1 102 102 PHE C C 13 177.720 0.009 . 1 . . . . . 102 PHE C . 53479 1 787 . 1 . 1 102 102 PHE CA C 13 62.886 0.074 . 1 . . . . . 102 PHE CA . 53479 1 788 . 1 . 1 102 102 PHE CB C 13 40.018 0.062 . 1 . . . . . 102 PHE CB . 53479 1 789 . 1 . 1 102 102 PHE N N 15 119.886 0.024 . 1 . . . . . 102 PHE N . 53479 1 790 . 1 . 1 103 103 ALA H H 1 8.556 0.005 . 1 . . . . . 103 ALA H . 53479 1 791 . 1 . 1 103 103 ALA HA H 1 3.433 0.002 . 1 . . . . . 103 ALA HA . 53479 1 792 . 1 . 1 103 103 ALA HB1 H 1 1.461 0.008 . 1 . . . . . 103 ALA HB# . 53479 1 793 . 1 . 1 103 103 ALA HB2 H 1 1.461 0.008 . 1 . . . . . 103 ALA HB# . 53479 1 794 . 1 . 1 103 103 ALA HB3 H 1 1.461 0.008 . 1 . . . . . 103 ALA HB# . 53479 1 795 . 1 . 1 103 103 ALA C C 13 179.414 0.028 . 1 . . . . . 103 ALA C . 53479 1 796 . 1 . 1 103 103 ALA CA C 13 54.542 0.054 . 1 . . . . . 103 ALA CA . 53479 1 797 . 1 . 1 103 103 ALA CB C 13 18.438 0.045 . 1 . . . . . 103 ALA CB . 53479 1 798 . 1 . 1 103 103 ALA N N 15 121.812 0.076 . 1 . . . . . 103 ALA N . 53479 1 799 . 1 . 1 104 104 GLU H H 1 8.025 0.003 . 1 . . . . . 104 GLU H . 53479 1 800 . 1 . 1 104 104 GLU HA H 1 3.784 0.002 . 1 . . . . . 104 GLU HA . 53479 1 801 . 1 . 1 104 104 GLU HB2 H 1 2.003 0.002 . 2 . . . . . 104 GLU HB2 . 53479 1 802 . 1 . 1 104 104 GLU HB3 H 1 1.839 0.010 . 2 . . . . . 104 GLU HB3 . 53479 1 803 . 1 . 1 104 104 GLU C C 13 179.486 0.005 . 1 . . . . . 104 GLU C . 53479 1 804 . 1 . 1 104 104 GLU CA C 13 59.004 0.028 . 1 . . . . . 104 GLU CA . 53479 1 805 . 1 . 1 104 104 GLU CB C 13 29.709 0.052 . 1 . . . . . 104 GLU CB . 53479 1 806 . 1 . 1 104 104 GLU N N 15 119.923 0.083 . 1 . . . . . 104 GLU N . 53479 1 807 . 1 . 1 105 105 LYS H H 1 7.123 0.003 . 1 . . . . . 105 LYS H . 53479 1 808 . 1 . 1 105 105 LYS HA H 1 3.086 0.003 . 1 . . . . . 105 LYS HA . 53479 1 809 . 1 . 1 105 105 LYS HB2 H 1 1.449 0.031 . 2 . . . . . 105 LYS HB2 . 53479 1 810 . 1 . 1 105 105 LYS HB3 H 1 1.306 0.011 . 2 . . . . . 105 LYS HB3 . 53479 1 811 . 1 . 1 105 105 LYS C C 13 175.537 0.012 . 1 . . . . . 105 LYS C . 53479 1 812 . 1 . 1 105 105 LYS CA C 13 56.236 0.031 . 1 . . . . . 105 LYS CA . 53479 1 813 . 1 . 1 105 105 LYS CB C 13 32.066 0.005 . 1 . . . . . 105 LYS CB . 53479 1 814 . 1 . 1 105 105 LYS N N 15 119.030 0.056 . 1 . . . . . 105 LYS N . 53479 1 815 . 1 . 1 106 106 PHE H H 1 7.441 0.004 . 1 . . . . . 106 PHE H . 53479 1 816 . 1 . 1 106 106 PHE HA H 1 3.296 0.002 . 1 . . . . . 106 PHE HA . 53479 1 817 . 1 . 1 106 106 PHE HB2 H 1 2.865 0.000 . 2 . . . . . 106 PHE HB2 . 53479 1 818 . 1 . 1 106 106 PHE HB3 H 1 2.470 0.000 . 2 . . . . . 106 PHE HB3 . 53479 1 819 . 1 . 1 106 106 PHE C C 13 177.512 0.019 . 1 . . . . . 106 PHE C . 53479 1 820 . 1 . 1 106 106 PHE CA C 13 61.605 0.027 . 1 . . . . . 106 PHE CA . 53479 1 821 . 1 . 1 106 106 PHE CB C 13 38.571 0.037 . 1 . . . . . 106 PHE CB . 53479 1 822 . 1 . 1 106 106 PHE N N 15 120.443 0.047 . 1 . . . . . 106 PHE N . 53479 1 823 . 1 . 1 107 107 GLN H H 1 7.500 0.004 . 1 . . . . . 107 GLN H . 53479 1 824 . 1 . 1 107 107 GLN HA H 1 3.856 0.002 . 1 . . . . . 107 GLN HA . 53479 1 825 . 1 . 1 107 107 GLN HB2 H 1 2.127 0.008 . 2 . . . . . 107 GLN HB2 . 53479 1 826 . 1 . 1 107 107 GLN HB3 H 1 1.960 0.004 . 2 . . . . . 107 GLN HB3 . 53479 1 827 . 1 . 1 107 107 GLN C C 13 177.988 0.011 . 1 . . . . . 107 GLN C . 53479 1 828 . 1 . 1 107 107 GLN CA C 13 58.195 0.057 . 1 . . . . . 107 GLN CA . 53479 1 829 . 1 . 1 107 107 GLN CB C 13 27.943 0.062 . 1 . . . . . 107 GLN CB . 53479 1 830 . 1 . 1 107 107 GLN N N 15 115.092 0.026 . 1 . . . . . 107 GLN N . 53479 1 831 . 1 . 1 108 108 GLU H H 1 7.475 0.002 . 1 . . . . . 108 GLU H . 53479 1 832 . 1 . 1 108 108 GLU HA H 1 3.627 0.001 . 1 . . . . . 108 GLU HA . 53479 1 833 . 1 . 1 108 108 GLU HB2 H 1 1.667 0.000 . 2 . . . . . 108 GLU HB2 . 53479 1 834 . 1 . 1 108 108 GLU HB3 H 1 1.535 0.002 . 2 . . . . . 108 GLU HB3 . 53479 1 835 . 1 . 1 108 108 GLU C C 13 179.793 0.003 . 1 . . . . . 108 GLU C . 53479 1 836 . 1 . 1 108 108 GLU CA C 13 58.979 0.019 . 1 . . . . . 108 GLU CA . 53479 1 837 . 1 . 1 108 108 GLU CB C 13 28.995 0.038 . 1 . . . . . 108 GLU CB . 53479 1 838 . 1 . 1 108 108 GLU N N 15 120.745 0.089 . 1 . . . . . 108 GLU N . 53479 1 839 . 1 . 1 109 109 PHE H H 1 7.848 0.005 . 1 . . . . . 109 PHE H . 53479 1 840 . 1 . 1 109 109 PHE HA H 1 4.029 0.004 . 1 . . . . . 109 PHE HA . 53479 1 841 . 1 . 1 109 109 PHE HB2 H 1 2.320 0.002 . 2 . . . . . 109 PHE HB2 . 53479 1 842 . 1 . 1 109 109 PHE HB3 H 1 2.222 0.003 . 2 . . . . . 109 PHE HB3 . 53479 1 843 . 1 . 1 109 109 PHE C C 13 177.486 0.023 . 1 . . . . . 109 PHE C . 53479 1 844 . 1 . 1 109 109 PHE CA C 13 57.800 0.066 . 1 . . . . . 109 PHE CA . 53479 1 845 . 1 . 1 109 109 PHE CB C 13 36.410 0.089 . 1 . . . . . 109 PHE CB . 53479 1 846 . 1 . 1 109 109 PHE N N 15 119.750 0.096 . 1 . . . . . 109 PHE N . 53479 1 847 . 1 . 1 110 110 LYS H H 1 8.352 0.004 . 1 . . . . . 110 LYS H . 53479 1 848 . 1 . 1 110 110 LYS HA H 1 3.576 0.003 . 1 . . . . . 110 LYS HA . 53479 1 849 . 1 . 1 110 110 LYS HB2 H 1 1.993 0.001 . 2 . . . . . 110 LYS HB2 . 53479 1 850 . 1 . 1 110 110 LYS HB3 H 1 1.710 0.001 . 2 . . . . . 110 LYS HB3 . 53479 1 851 . 1 . 1 110 110 LYS C C 13 178.747 0.019 . 1 . . . . . 110 LYS C . 53479 1 852 . 1 . 1 110 110 LYS CA C 13 60.137 0.042 . 1 . . . . . 110 LYS CA . 53479 1 853 . 1 . 1 110 110 LYS CB C 13 32.382 0.020 . 1 . . . . . 110 LYS CB . 53479 1 854 . 1 . 1 110 110 LYS N N 15 123.168 0.073 . 1 . . . . . 110 LYS N . 53479 1 855 . 1 . 1 111 111 GLU H H 1 7.778 0.003 . 1 . . . . . 111 GLU H . 53479 1 856 . 1 . 1 111 111 GLU HA H 1 4.220 0.002 . 1 . . . . . 111 GLU HA . 53479 1 857 . 1 . 1 111 111 GLU HB2 H 1 1.984 0.019 . 2 . . . . . 111 GLU HB2 . 53479 1 858 . 1 . 1 111 111 GLU HB3 H 1 1.901 0.004 . 2 . . . . . 111 GLU HB3 . 53479 1 859 . 1 . 1 111 111 GLU C C 13 178.700 0.014 . 1 . . . . . 111 GLU C . 53479 1 860 . 1 . 1 111 111 GLU CA C 13 58.199 0.030 . 1 . . . . . 111 GLU CA . 53479 1 861 . 1 . 1 111 111 GLU CB C 13 28.720 0.058 . 1 . . . . . 111 GLU CB . 53479 1 862 . 1 . 1 111 111 GLU N N 15 118.779 0.056 . 1 . . . . . 111 GLU N . 53479 1 863 . 1 . 1 112 112 ALA H H 1 7.824 0.003 . 1 . . . . . 112 ALA H . 53479 1 864 . 1 . 1 112 112 ALA HA H 1 4.057 0.007 . 1 . . . . . 112 ALA HA . 53479 1 865 . 1 . 1 112 112 ALA HB1 H 1 1.449 0.002 . 1 . . . . . 112 ALA HB# . 53479 1 866 . 1 . 1 112 112 ALA HB2 H 1 1.449 0.002 . 1 . . . . . 112 ALA HB# . 53479 1 867 . 1 . 1 112 112 ALA HB3 H 1 1.449 0.002 . 1 . . . . . 112 ALA HB# . 53479 1 868 . 1 . 1 112 112 ALA C C 13 180.773 0.002 . 1 . . . . . 112 ALA C . 53479 1 869 . 1 . 1 112 112 ALA CA C 13 55.028 0.076 . 1 . . . . . 112 ALA CA . 53479 1 870 . 1 . 1 112 112 ALA CB C 13 17.663 0.050 . 1 . . . . . 112 ALA CB . 53479 1 871 . 1 . 1 112 112 ALA N N 15 122.321 0.059 . 1 . . . . . 112 ALA N . 53479 1 872 . 1 . 1 113 113 ALA H H 1 8.250 0.004 . 1 . . . . . 113 ALA H . 53479 1 873 . 1 . 1 113 113 ALA HA H 1 4.292 0.003 . 1 . . . . . 113 ALA HA . 53479 1 874 . 1 . 1 113 113 ALA HB1 H 1 1.501 0.006 . 1 . . . . . 113 ALA HB# . 53479 1 875 . 1 . 1 113 113 ALA HB2 H 1 1.501 0.006 . 1 . . . . . 113 ALA HB# . 53479 1 876 . 1 . 1 113 113 ALA HB3 H 1 1.501 0.006 . 1 . . . . . 113 ALA HB# . 53479 1 877 . 1 . 1 113 113 ALA C C 13 180.032 0.001 . 1 . . . . . 113 ALA C . 53479 1 878 . 1 . 1 113 113 ALA CA C 13 54.467 0.042 . 1 . . . . . 113 ALA CA . 53479 1 879 . 1 . 1 113 113 ALA CB C 13 18.103 0.036 . 1 . . . . . 113 ALA CB . 53479 1 880 . 1 . 1 113 113 ALA N N 15 121.416 0.087 . 1 . . . . . 113 ALA N . 53479 1 881 . 1 . 1 114 114 ARG H H 1 8.039 0.001 . 1 . . . . . 114 ARG H . 53479 1 882 . 1 . 1 114 114 ARG HA H 1 3.917 0.003 . 1 . . . . . 114 ARG HA . 53479 1 883 . 1 . 1 114 114 ARG C C 13 178.338 0.009 . 1 . . . . . 114 ARG C . 53479 1 884 . 1 . 1 114 114 ARG CA C 13 59.288 0.030 . 1 . . . . . 114 ARG CA . 53479 1 885 . 1 . 1 114 114 ARG CB C 13 30.191 0.038 . 1 . . . . . 114 ARG CB . 53479 1 886 . 1 . 1 114 114 ARG N N 15 120.540 0.059 . 1 . . . . . 114 ARG N . 53479 1 887 . 1 . 1 115 115 LEU H H 1 8.141 0.003 . 1 . . . . . 115 LEU H . 53479 1 888 . 1 . 1 115 115 LEU HA H 1 4.048 0.004 . 1 . . . . . 115 LEU HA . 53479 1 889 . 1 . 1 115 115 LEU HB2 H 1 1.723 0.005 . 2 . . . . . 115 LEU HB2 . 53479 1 890 . 1 . 1 115 115 LEU HB3 H 1 1.527 0.012 . 2 . . . . . 115 LEU HB3 . 53479 1 891 . 1 . 1 115 115 LEU C C 13 178.658 0.012 . 1 . . . . . 115 LEU C . 53479 1 892 . 1 . 1 115 115 LEU CA C 13 56.810 0.037 . 1 . . . . . 115 LEU CA . 53479 1 893 . 1 . 1 115 115 LEU CB C 13 41.936 0.060 . 1 . . . . . 115 LEU CB . 53479 1 894 . 1 . 1 115 115 LEU N N 15 119.984 0.076 . 1 . . . . . 115 LEU N . 53479 1 895 . 1 . 1 116 116 ALA H H 1 7.867 0.003 . 1 . . . . . 116 ALA H . 53479 1 896 . 1 . 1 116 116 ALA HA H 1 4.160 0.002 . 1 . . . . . 116 ALA HA . 53479 1 897 . 1 . 1 116 116 ALA HB1 H 1 1.496 0.003 . 1 . . . . . 116 ALA HB# . 53479 1 898 . 1 . 1 116 116 ALA HB2 H 1 1.496 0.003 . 1 . . . . . 116 ALA HB# . 53479 1 899 . 1 . 1 116 116 ALA HB3 H 1 1.496 0.003 . 1 . . . . . 116 ALA HB# . 53479 1 900 . 1 . 1 116 116 ALA C C 13 179.011 0.006 . 1 . . . . . 116 ALA C . 53479 1 901 . 1 . 1 116 116 ALA CA C 13 53.886 0.031 . 1 . . . . . 116 ALA CA . 53479 1 902 . 1 . 1 116 116 ALA CB C 13 18.491 0.030 . 1 . . . . . 116 ALA CB . 53479 1 903 . 1 . 1 116 116 ALA N N 15 121.428 0.026 . 1 . . . . . 116 ALA N . 53479 1 904 . 1 . 1 117 117 LYS H H 1 7.741 0.003 . 1 . . . . . 117 LYS H . 53479 1 905 . 1 . 1 117 117 LYS HA H 1 4.215 0.001 . 1 . . . . . 117 LYS HA . 53479 1 906 . 1 . 1 117 117 LYS HB2 H 1 1.928 0.004 . 2 . . . . . 117 LYS HB2 . 53479 1 907 . 1 . 1 117 117 LYS HB3 H 1 1.842 0.003 . 2 . . . . . 117 LYS HB3 . 53479 1 908 . 1 . 1 117 117 LYS HG2 H 1 1.463 0.004 . 2 . . . . . 117 LYS HG2 . 53479 1 909 . 1 . 1 117 117 LYS HG3 H 1 1.463 0.004 . 2 . . . . . 117 LYS HG3 . 53479 1 910 . 1 . 1 117 117 LYS HD2 H 1 1.657 0.001 . 2 . . . . . 117 LYS HD2 . 53479 1 911 . 1 . 1 117 117 LYS HD3 H 1 1.657 0.001 . 2 . . . . . 117 LYS HD3 . 53479 1 912 . 1 . 1 117 117 LYS HE2 H 1 2.977 0.003 . 2 . . . . . 117 LYS HE2 . 53479 1 913 . 1 . 1 117 117 LYS HE3 H 1 2.977 0.003 . 2 . . . . . 117 LYS HE3 . 53479 1 914 . 1 . 1 117 117 LYS C C 13 177.648 0.004 . 1 . . . . . 117 LYS C . 53479 1 915 . 1 . 1 117 117 LYS CA C 13 57.021 0.097 . 1 . . . . . 117 LYS CA . 53479 1 916 . 1 . 1 117 117 LYS CB C 13 32.680 0.030 . 1 . . . . . 117 LYS CB . 53479 1 917 . 1 . 1 117 117 LYS CG C 13 24.602 0.019 . 1 . . . . . 117 LYS CG . 53479 1 918 . 1 . 1 117 117 LYS CD C 13 27.343 0.005 . 1 . . . . . 117 LYS CD . 53479 1 919 . 1 . 1 117 117 LYS CE C 13 43.727 0.021 . 1 . . . . . 117 LYS CE . 53479 1 920 . 1 . 1 117 117 LYS N N 15 118.504 0.014 . 1 . . . . . 117 LYS N . 53479 1 921 . 1 . 1 118 118 GLU H H 1 8.059 0.005 . 1 . . . . . 118 GLU H . 53479 1 922 . 1 . 1 118 118 GLU HB2 H 1 2.040 0.003 . 2 . . . . . 118 GLU HB2 . 53479 1 923 . 1 . 1 118 118 GLU HB3 H 1 1.973 0.006 . 2 . . . . . 118 GLU HB3 . 53479 1 924 . 1 . 1 118 118 GLU C C 13 177.027 0.003 . 1 . . . . . 118 GLU C . 53479 1 925 . 1 . 1 118 118 GLU CA C 13 57.411 0.036 . 1 . . . . . 118 GLU CA . 53479 1 926 . 1 . 1 118 118 GLU CB C 13 30.057 0.057 . 1 . . . . . 118 GLU CB . 53479 1 927 . 1 . 1 118 118 GLU N N 15 120.275 0.096 . 1 . . . . . 118 GLU N . 53479 1 928 . 1 . 1 119 119 LYS H H 1 7.971 0.003 . 1 . . . . . 119 LYS H . 53479 1 929 . 1 . 1 119 119 LYS HA H 1 4.289 0.002 . 1 . . . . . 119 LYS HA . 53479 1 930 . 1 . 1 119 119 LYS HB2 H 1 1.848 0.007 . 2 . . . . . 119 LYS HB2 . 53479 1 931 . 1 . 1 119 119 LYS HB3 H 1 1.766 0.001 . 2 . . . . . 119 LYS HB3 . 53479 1 932 . 1 . 1 119 119 LYS HG2 H 1 1.433 0.002 . 2 . . . . . 119 LYS HG2 . 53479 1 933 . 1 . 1 119 119 LYS HG3 H 1 1.433 0.002 . 2 . . . . . 119 LYS HG3 . 53479 1 934 . 1 . 1 119 119 LYS HD2 H 1 1.623 0.010 . 2 . . . . . 119 LYS HD2 . 53479 1 935 . 1 . 1 119 119 LYS HD3 H 1 1.623 0.010 . 2 . . . . . 119 LYS HD3 . 53479 1 936 . 1 . 1 119 119 LYS HE2 H 1 2.924 0.007 . 2 . . . . . 119 LYS HE2 . 53479 1 937 . 1 . 1 119 119 LYS HE3 H 1 2.924 0.007 . 2 . . . . . 119 LYS HE3 . 53479 1 938 . 1 . 1 119 119 LYS C C 13 176.523 0.003 . 1 . . . . . 119 LYS C . 53479 1 939 . 1 . 1 119 119 LYS CA C 13 56.458 0.042 . 1 . . . . . 119 LYS CA . 53479 1 940 . 1 . 1 119 119 LYS CB C 13 32.824 0.059 . 1 . . . . . 119 LYS CB . 53479 1 941 . 1 . 1 119 119 LYS CG C 13 24.746 0.032 . 1 . . . . . 119 LYS CG . 53479 1 942 . 1 . 1 119 119 LYS CD C 13 29.169 0.060 . 1 . . . . . 119 LYS CD . 53479 1 943 . 1 . 1 119 119 LYS CE C 13 42.234 0.022 . 1 . . . . . 119 LYS CE . 53479 1 944 . 1 . 1 119 119 LYS N N 15 120.147 0.047 . 1 . . . . . 119 LYS N . 53479 1 945 . 1 . 1 120 120 SER H H 1 8.080 0.006 . 1 . . . . . 120 SER H . 53479 1 946 . 1 . 1 120 120 SER HB2 H 1 3.855 0.002 . 2 . . . . . 120 SER HB2 . 53479 1 947 . 1 . 1 120 120 SER HB3 H 1 3.700 0.004 . 2 . . . . . 120 SER HB3 . 53479 1 948 . 1 . 1 120 120 SER C C 13 173.586 0.001 . 1 . . . . . 120 SER C . 53479 1 949 . 1 . 1 120 120 SER CA C 13 58.415 0.072 . 1 . . . . . 120 SER CA . 53479 1 950 . 1 . 1 120 120 SER CB C 13 63.899 0.011 . 1 . . . . . 120 SER CB . 53479 1 951 . 1 . 1 120 120 SER N N 15 116.823 0.045 . 1 . . . . . 120 SER N . 53479 1 952 . 1 . 1 121 121 GLN H H 1 7.876 0.006 . 1 . . . . . 121 GLN H . 53479 1 953 . 1 . 1 121 121 GLN HA H 1 4.121 0.010 . 1 . . . . . 121 GLN HA . 53479 1 954 . 1 . 1 121 121 GLN HB2 H 1 2.063 0.002 . 2 . . . . . 121 GLN HB2 . 53479 1 955 . 1 . 1 121 121 GLN HB3 H 1 1.888 0.003 . 2 . . . . . 121 GLN HB3 . 53479 1 956 . 1 . 1 121 121 GLN HG2 H 1 2.255 0.002 . 2 . . . . . 121 GLN HG2 . 53479 1 957 . 1 . 1 121 121 GLN HG3 H 1 2.255 0.002 . 2 . . . . . 121 GLN HG3 . 53479 1 958 . 1 . 1 121 121 GLN C C 13 180.467 0.000 . 1 . . . . . 121 GLN C . 53479 1 959 . 1 . 1 121 121 GLN CA C 13 57.407 0.031 . 1 . . . . . 121 GLN CA . 53479 1 960 . 1 . 1 121 121 GLN CB C 13 30.314 0.077 . 1 . . . . . 121 GLN CB . 53479 1 961 . 1 . 1 121 121 GLN CG C 13 34.241 0.005 . 1 . . . . . 121 GLN CG . 53479 1 962 . 1 . 1 121 121 GLN N N 15 126.664 0.068 . 1 . . . . . 121 GLN N . 53479 1 stop_ save_