################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15777 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15777 1 2 '2D 1H-13C HSQC' . . . 15777 1 3 '3D HNCA' . . . 15777 1 4 '3D CBCA(CO)NH' . . . 15777 1 5 '3D HNCO' . . . 15777 1 6 '3D HNCACB' . . . 15777 1 7 '3D HN(CO)CA' . . . 15777 1 8 '3D C(CO)NH' . . . 15777 1 9 '3D HCCH-COSY' . . . 15777 1 10 iHNCA . . . 15777 1 11 iHNCACB . . . 15777 1 13 '3D 1H-13C NOESY' . . . 15777 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15777 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.832 0.015 . 1 . . . . -3 GLY QA . 15777 1 2 . 1 1 1 1 GLY HA3 H 1 3.832 0.015 . 1 . . . . -3 GLY QA . 15777 1 3 . 1 1 1 1 GLY CA C 13 43.553 0.15 . 1 . . . . -3 GLY CA . 15777 1 4 . 1 1 2 2 ALA HA H 1 4.374 0.005 . 1 . . . . -2 ALA HA . 15777 1 5 . 1 1 2 2 ALA HB1 H 1 1.409 0.007 . 1 . . . . -2 ALA QB . 15777 1 6 . 1 1 2 2 ALA HB2 H 1 1.409 0.007 . 1 . . . . -2 ALA QB . 15777 1 7 . 1 1 2 2 ALA HB3 H 1 1.409 0.007 . 1 . . . . -2 ALA QB . 15777 1 8 . 1 1 2 2 ALA C C 13 177.865 0.15 . 1 . . . . -2 ALA C . 15777 1 9 . 1 1 2 2 ALA CA C 13 52.670 0.081 . 1 . . . . -2 ALA CA . 15777 1 10 . 1 1 2 2 ALA CB C 13 19.508 0.032 . 1 . . . . -2 ALA CB . 15777 1 11 . 1 1 3 3 MET H H 1 8.558 0.003 . 1 . . . . -1 MET H . 15777 1 12 . 1 1 3 3 MET HA H 1 4.512 0.005 . 1 . . . . -1 MET HA . 15777 1 13 . 1 1 3 3 MET HB2 H 1 2.132 0.009 . 2 . . . . -1 MET HB2 . 15777 1 14 . 1 1 3 3 MET HB3 H 1 2.041 0.013 . 2 . . . . -1 MET HB3 . 15777 1 15 . 1 1 3 3 MET HE1 H 1 2.093 0.015 . 1 . . . . -1 MET QE . 15777 1 16 . 1 1 3 3 MET HE2 H 1 2.093 0.015 . 1 . . . . -1 MET QE . 15777 1 17 . 1 1 3 3 MET HE3 H 1 2.093 0.015 . 1 . . . . -1 MET QE . 15777 1 18 . 1 1 3 3 MET HG2 H 1 2.642 0.008 . 2 . . . . -1 MET HG2 . 15777 1 19 . 1 1 3 3 MET HG3 H 1 2.564 0.009 . 2 . . . . -1 MET HG3 . 15777 1 20 . 1 1 3 3 MET C C 13 176.702 0.15 . 1 . . . . -1 MET C . 15777 1 21 . 1 1 3 3 MET CA C 13 55.668 0.069 . 1 . . . . -1 MET CA . 15777 1 22 . 1 1 3 3 MET CB C 13 32.873 0.102 . 1 . . . . -1 MET CB . 15777 1 23 . 1 1 3 3 MET CE C 13 17.012 0.15 . 1 . . . . -1 MET CE . 15777 1 24 . 1 1 3 3 MET CG C 13 32.182 0.072 . 1 . . . . -1 MET CG . 15777 1 25 . 1 1 3 3 MET N N 15 121.055 0.032 . 1 . . . . -1 MET N . 15777 1 26 . 1 1 4 4 GLY H H 1 8.421 0.002 . 1 . . . . 2427 GLY H . 15777 1 27 . 1 1 4 4 GLY HA2 H 1 4.042 0.004 . 2 . . . . 2427 GLY HA2 . 15777 1 28 . 1 1 4 4 GLY HA3 H 1 3.847 0.009 . 2 . . . . 2427 GLY HA3 . 15777 1 29 . 1 1 4 4 GLY C C 13 172.970 0.15 . 1 . . . . 2427 GLY C . 15777 1 30 . 1 1 4 4 GLY CA C 13 45.360 0.071 . 1 . . . . 2427 GLY CA . 15777 1 31 . 1 1 4 4 GLY N N 15 111.693 0.015 . 1 . . . . 2427 GLY N . 15777 1 32 . 1 1 5 5 ASP H H 1 8.300 0.002 . 1 . . . . 2428 ASP H . 15777 1 33 . 1 1 5 5 ASP HA H 1 5.082 0.002 . 1 . . . . 2428 ASP HA . 15777 1 34 . 1 1 5 5 ASP HB2 H 1 2.902 0.011 . 2 . . . . 2428 ASP HB2 . 15777 1 35 . 1 1 5 5 ASP HB3 H 1 2.579 0.006 . 2 . . . . 2428 ASP HB3 . 15777 1 36 . 1 1 5 5 ASP CA C 13 51.517 0.087 . 1 . . . . 2428 ASP CA . 15777 1 37 . 1 1 5 5 ASP CB C 13 42.244 0.042 . 1 . . . . 2428 ASP CB . 15777 1 38 . 1 1 5 5 ASP N N 15 122.879 0.037 . 1 . . . . 2428 ASP N . 15777 1 39 . 1 1 6 6 PRO HA H 1 4.340 0.005 . 1 . . . . 2429 PRO HA . 15777 1 40 . 1 1 6 6 PRO HB2 H 1 2.055 0.001 . 1 . . . . 2429 PRO HB2 . 15777 1 41 . 1 1 6 6 PRO HB3 H 1 2.608 0.006 . 1 . . . . 2429 PRO HB3 . 15777 1 42 . 1 1 6 6 PRO HD2 H 1 4.026 0.015 . 2 . . . . 2429 PRO HD2 . 15777 1 43 . 1 1 6 6 PRO HD3 H 1 3.983 0.015 . 2 . . . . 2429 PRO HD3 . 15777 1 44 . 1 1 6 6 PRO HG2 H 1 2.145 0.003 . 2 . . . . 2429 PRO HG2 . 15777 1 45 . 1 1 6 6 PRO HG3 H 1 2.039 0.008 . 2 . . . . 2429 PRO HG3 . 15777 1 46 . 1 1 6 6 PRO C C 13 178.266 0.15 . 1 . . . . 2429 PRO C . 15777 1 47 . 1 1 6 6 PRO CA C 13 64.494 0.077 . 1 . . . . 2429 PRO CA . 15777 1 48 . 1 1 6 6 PRO CB C 13 31.841 0.080 . 1 . . . . 2429 PRO CB . 15777 1 49 . 1 1 6 6 PRO CD C 13 51.181 0.001 . 1 . . . . 2429 PRO CD . 15777 1 50 . 1 1 6 6 PRO CG C 13 27.392 0.052 . 1 . . . . 2429 PRO CG . 15777 1 51 . 1 1 7 7 GLY H H 1 8.686 0.003 . 1 . . . . 2430 GLY H . 15777 1 52 . 1 1 7 7 GLY HA2 H 1 4.116 0.010 . 2 . . . . 2430 GLY HA2 . 15777 1 53 . 1 1 7 7 GLY HA3 H 1 3.868 0.013 . 2 . . . . 2430 GLY HA3 . 15777 1 54 . 1 1 7 7 GLY C C 13 174.567 0.15 . 1 . . . . 2430 GLY C . 15777 1 55 . 1 1 7 7 GLY CA C 13 46.038 0.045 . 1 . . . . 2430 GLY CA . 15777 1 56 . 1 1 7 7 GLY N N 15 107.655 0.014 . 1 . . . . 2430 GLY N . 15777 1 57 . 1 1 8 8 LEU H H 1 7.692 0.002 . 1 . . . . 2431 LEU H . 15777 1 58 . 1 1 8 8 LEU HA H 1 4.507 0.006 . 1 . . . . 2431 LEU HA . 15777 1 59 . 1 1 8 8 LEU HB2 H 1 1.577 0.007 . 1 . . . . 2431 LEU HB2 . 15777 1 60 . 1 1 8 8 LEU HB3 H 1 1.630 0.009 . 1 . . . . 2431 LEU HB3 . 15777 1 61 . 1 1 8 8 LEU HD11 H 1 0.845 0.008 . 1 . . . . 2431 LEU QD1 . 15777 1 62 . 1 1 8 8 LEU HD12 H 1 0.845 0.008 . 1 . . . . 2431 LEU QD1 . 15777 1 63 . 1 1 8 8 LEU HD13 H 1 0.845 0.008 . 1 . . . . 2431 LEU QD1 . 15777 1 64 . 1 1 8 8 LEU HD21 H 1 0.799 0.007 . 1 . . . . 2431 LEU QD2 . 15777 1 65 . 1 1 8 8 LEU HD22 H 1 0.799 0.007 . 1 . . . . 2431 LEU QD2 . 15777 1 66 . 1 1 8 8 LEU HD23 H 1 0.799 0.007 . 1 . . . . 2431 LEU QD2 . 15777 1 67 . 1 1 8 8 LEU HG H 1 1.022 0.006 . 1 . . . . 2431 LEU HG . 15777 1 68 . 1 1 8 8 LEU C C 13 176.876 0.15 . 1 . . . . 2431 LEU C . 15777 1 69 . 1 1 8 8 LEU CA C 13 54.307 0.080 . 1 . . . . 2431 LEU CA . 15777 1 70 . 1 1 8 8 LEU CB C 13 42.879 0.046 . 1 . . . . 2431 LEU CB . 15777 1 71 . 1 1 8 8 LEU CD1 C 13 22.618 0.024 . 1 . . . . 2431 LEU CD1 . 15777 1 72 . 1 1 8 8 LEU CD2 C 13 22.545 0.063 . 1 . . . . 2431 LEU CD2 . 15777 1 73 . 1 1 8 8 LEU CG C 13 25.809 0.014 . 1 . . . . 2431 LEU CG . 15777 1 74 . 1 1 8 8 LEU N N 15 120.022 0.030 . 1 . . . . 2431 LEU N . 15777 1 75 . 1 1 9 9 VAL H H 1 7.378 0.002 . 1 . . . . 2432 VAL H . 15777 1 76 . 1 1 9 9 VAL HA H 1 4.154 0.004 . 1 . . . . 2432 VAL HA . 15777 1 77 . 1 1 9 9 VAL HB H 1 1.907 0.008 . 1 . . . . 2432 VAL HB . 15777 1 78 . 1 1 9 9 VAL HG11 H 1 0.683 0.007 . 2 . . . . 2432 VAL QG1 . 15777 1 79 . 1 1 9 9 VAL HG12 H 1 0.683 0.007 . 2 . . . . 2432 VAL QG1 . 15777 1 80 . 1 1 9 9 VAL HG13 H 1 0.683 0.007 . 2 . . . . 2432 VAL QG1 . 15777 1 81 . 1 1 9 9 VAL HG21 H 1 0.331 0.003 . 2 . . . . 2432 VAL QG2 . 15777 1 82 . 1 1 9 9 VAL HG22 H 1 0.331 0.003 . 2 . . . . 2432 VAL QG2 . 15777 1 83 . 1 1 9 9 VAL HG23 H 1 0.331 0.003 . 2 . . . . 2432 VAL QG2 . 15777 1 84 . 1 1 9 9 VAL C C 13 174.703 0.15 . 1 . . . . 2432 VAL C . 15777 1 85 . 1 1 9 9 VAL CA C 13 62.387 0.063 . 1 . . . . 2432 VAL CA . 15777 1 86 . 1 1 9 9 VAL CB C 13 32.519 0.068 . 1 . . . . 2432 VAL CB . 15777 1 87 . 1 1 9 9 VAL CG1 C 13 23.348 0.048 . 2 . . . . 2432 VAL CG1 . 15777 1 88 . 1 1 9 9 VAL CG2 C 13 23.289 0.043 . 2 . . . . 2432 VAL CG2 . 15777 1 89 . 1 1 9 9 VAL N N 15 123.902 0.038 . 1 . . . . 2432 VAL N . 15777 1 90 . 1 1 10 10 SER H H 1 8.201 0.001 . 1 . . . . 2433 SER H . 15777 1 91 . 1 1 10 10 SER HA H 1 5.136 0.003 . 1 . . . . 2433 SER HA . 15777 1 92 . 1 1 10 10 SER HB2 H 1 4.010 0.009 . 2 . . . . 2433 SER HB2 . 15777 1 93 . 1 1 10 10 SER HB3 H 1 3.926 0.010 . 2 . . . . 2433 SER HB3 . 15777 1 94 . 1 1 10 10 SER CA C 13 56.554 0.074 . 1 . . . . 2433 SER CA . 15777 1 95 . 1 1 10 10 SER CB C 13 66.763 0.136 . 1 . . . . 2433 SER CB . 15777 1 96 . 1 1 10 10 SER N N 15 121.921 0.040 . 1 . . . . 2433 SER N . 15777 1 97 . 1 1 11 11 ALA H H 1 8.670 0.002 . 1 . . . . 2434 ALA H . 15777 1 98 . 1 1 11 11 ALA HA H 1 5.632 0.002 . 1 . . . . 2434 ALA HA . 15777 1 99 . 1 1 11 11 ALA HB1 H 1 1.111 0.003 . 1 . . . . 2434 ALA QB . 15777 1 100 . 1 1 11 11 ALA HB2 H 1 1.111 0.003 . 1 . . . . 2434 ALA QB . 15777 1 101 . 1 1 11 11 ALA HB3 H 1 1.111 0.003 . 1 . . . . 2434 ALA QB . 15777 1 102 . 1 1 11 11 ALA C C 13 175.459 0.15 . 1 . . . . 2434 ALA C . 15777 1 103 . 1 1 11 11 ALA CA C 13 50.575 0.048 . 1 . . . . 2434 ALA CA . 15777 1 104 . 1 1 11 11 ALA CB C 13 23.111 0.045 . 1 . . . . 2434 ALA CB . 15777 1 105 . 1 1 11 11 ALA N N 15 124.828 0.029 . 1 . . . . 2434 ALA N . 15777 1 106 . 1 1 12 12 TYR H H 1 8.609 0.002 . 1 . . . . 2435 TYR H . 15777 1 107 . 1 1 12 12 TYR HA H 1 4.879 0.004 . 1 . . . . 2435 TYR HA . 15777 1 108 . 1 1 12 12 TYR HB2 H 1 3.099 0.008 . 1 . . . . 2435 TYR QB . 15777 1 109 . 1 1 12 12 TYR HB3 H 1 3.099 0.008 . 1 . . . . 2435 TYR QB . 15777 1 110 . 1 1 12 12 TYR HD1 H 1 7.101 0.001 . 3 . . . . 2435 TYR QD . 15777 1 111 . 1 1 12 12 TYR HD2 H 1 7.101 0.001 . 3 . . . . 2435 TYR QD . 15777 1 112 . 1 1 12 12 TYR HE1 H 1 6.879 0.015 . 3 . . . . 2435 TYR QE . 15777 1 113 . 1 1 12 12 TYR HE2 H 1 6.879 0.015 . 3 . . . . 2435 TYR QE . 15777 1 114 . 1 1 12 12 TYR C C 13 173.645 0.15 . 1 . . . . 2435 TYR C . 15777 1 115 . 1 1 12 12 TYR CA C 13 56.268 0.074 . 1 . . . . 2435 TYR CA . 15777 1 116 . 1 1 12 12 TYR CB C 13 39.522 0.042 . 1 . . . . 2435 TYR CB . 15777 1 117 . 1 1 12 12 TYR CD1 C 13 133.244 0.15 . 3 . . . . 2435 TYR CD1 . 15777 1 118 . 1 1 12 12 TYR CE1 C 13 118.169 0.15 . 3 . . . . 2435 TYR CE1 . 15777 1 119 . 1 1 12 12 TYR N N 15 118.305 0.032 . 1 . . . . 2435 TYR N . 15777 1 120 . 1 1 13 13 GLY H H 1 8.655 0.002 . 1 . . . . 2436 GLY H . 15777 1 121 . 1 1 13 13 GLY HA2 H 1 4.943 0.008 . 2 . . . . 2436 GLY HA2 . 15777 1 122 . 1 1 13 13 GLY HA3 H 1 4.028 0.006 . 2 . . . . 2436 GLY HA3 . 15777 1 123 . 1 1 13 13 GLY C C 13 175.334 0.15 . 1 . . . . 2436 GLY C . 15777 1 124 . 1 1 13 13 GLY CA C 13 44.389 0.060 . 1 . . . . 2436 GLY CA . 15777 1 125 . 1 1 13 13 GLY N N 15 110.710 0.012 . 1 . . . . 2436 GLY N . 15777 1 126 . 1 1 14 14 ALA H H 1 8.939 0.004 . 1 . . . . 2437 ALA H . 15777 1 127 . 1 1 14 14 ALA HA H 1 4.276 0.004 . 1 . . . . 2437 ALA HA . 15777 1 128 . 1 1 14 14 ALA HB1 H 1 1.646 0.004 . 1 . . . . 2437 ALA QB . 15777 1 129 . 1 1 14 14 ALA HB2 H 1 1.646 0.004 . 1 . . . . 2437 ALA QB . 15777 1 130 . 1 1 14 14 ALA HB3 H 1 1.646 0.004 . 1 . . . . 2437 ALA QB . 15777 1 131 . 1 1 14 14 ALA C C 13 180.524 0.15 . 1 . . . . 2437 ALA C . 15777 1 132 . 1 1 14 14 ALA CA C 13 55.551 0.080 . 1 . . . . 2437 ALA CA . 15777 1 133 . 1 1 14 14 ALA CB C 13 18.411 0.081 . 1 . . . . 2437 ALA CB . 15777 1 134 . 1 1 14 14 ALA N N 15 126.973 0.047 . 1 . . . . 2437 ALA N . 15777 1 135 . 1 1 15 15 GLY H H 1 8.933 0.001 . 1 . . . . 2438 GLY H . 15777 1 136 . 1 1 15 15 GLY HA2 H 1 4.531 0.006 . 1 . . . . 2438 GLY HA2 . 15777 1 137 . 1 1 15 15 GLY HA3 H 1 3.576 0.003 . 1 . . . . 2438 GLY HA3 . 15777 1 138 . 1 1 15 15 GLY C C 13 174.323 0.15 . 1 . . . . 2438 GLY C . 15777 1 139 . 1 1 15 15 GLY CA C 13 46.855 0.074 . 1 . . . . 2438 GLY CA . 15777 1 140 . 1 1 15 15 GLY N N 15 104.803 0.012 . 1 . . . . 2438 GLY N . 15777 1 141 . 1 1 16 16 LEU H H 1 7.529 0.002 . 1 . . . . 2439 LEU H . 15777 1 142 . 1 1 16 16 LEU HA H 1 3.768 0.004 . 1 . . . . 2439 LEU HA . 15777 1 143 . 1 1 16 16 LEU HB2 H 1 1.442 0.006 . 2 . . . . 2439 LEU HB2 . 15777 1 144 . 1 1 16 16 LEU HB3 H 1 1.057 0.003 . 2 . . . . 2439 LEU HB3 . 15777 1 145 . 1 1 16 16 LEU HD11 H 1 -0.077 0.004 . 1 . . . . 2439 LEU QD1 . 15777 1 146 . 1 1 16 16 LEU HD12 H 1 -0.077 0.004 . 1 . . . . 2439 LEU QD1 . 15777 1 147 . 1 1 16 16 LEU HD13 H 1 -0.077 0.004 . 1 . . . . 2439 LEU QD1 . 15777 1 148 . 1 1 16 16 LEU HD21 H 1 -0.931 0.003 . 1 . . . . 2439 LEU QD2 . 15777 1 149 . 1 1 16 16 LEU HD22 H 1 -0.931 0.003 . 1 . . . . 2439 LEU QD2 . 15777 1 150 . 1 1 16 16 LEU HD23 H 1 -0.931 0.003 . 1 . . . . 2439 LEU QD2 . 15777 1 151 . 1 1 16 16 LEU HG H 1 0.726 0.005 . 1 . . . . 2439 LEU HG . 15777 1 152 . 1 1 16 16 LEU C C 13 176.388 0.15 . 1 . . . . 2439 LEU C . 15777 1 153 . 1 1 16 16 LEU CA C 13 56.137 0.074 . 1 . . . . 2439 LEU CA . 15777 1 154 . 1 1 16 16 LEU CB C 13 41.621 0.079 . 1 . . . . 2439 LEU CB . 15777 1 155 . 1 1 16 16 LEU CD1 C 13 23.856 0.067 . 1 . . . . 2439 LEU CD1 . 15777 1 156 . 1 1 16 16 LEU CD2 C 13 20.357 0.064 . 1 . . . . 2439 LEU CD2 . 15777 1 157 . 1 1 16 16 LEU CG C 13 26.287 0.160 . 1 . . . . 2439 LEU CG . 15777 1 158 . 1 1 16 16 LEU N N 15 119.633 0.022 . 1 . . . . 2439 LEU N . 15777 1 159 . 1 1 17 17 GLU H H 1 7.505 0.002 . 1 . . . . 2440 GLU H . 15777 1 160 . 1 1 17 17 GLU HA H 1 4.663 0.006 . 1 . . . . 2440 GLU HA . 15777 1 161 . 1 1 17 17 GLU HB2 H 1 2.278 0.013 . 2 . . . . 2440 GLU HB2 . 15777 1 162 . 1 1 17 17 GLU HB3 H 1 2.173 0.003 . 2 . . . . 2440 GLU HB3 . 15777 1 163 . 1 1 17 17 GLU HG2 H 1 2.370 0.008 . 1 . . . . 2440 GLU QG . 15777 1 164 . 1 1 17 17 GLU HG3 H 1 2.370 0.008 . 1 . . . . 2440 GLU QG . 15777 1 165 . 1 1 17 17 GLU C C 13 178.126 0.15 . 1 . . . . 2440 GLU C . 15777 1 166 . 1 1 17 17 GLU CA C 13 56.447 0.074 . 1 . . . . 2440 GLU CA . 15777 1 167 . 1 1 17 17 GLU CB C 13 31.485 0.081 . 1 . . . . 2440 GLU CB . 15777 1 168 . 1 1 17 17 GLU CG C 13 36.723 0.028 . 1 . . . . 2440 GLU CG . 15777 1 169 . 1 1 17 17 GLU N N 15 114.368 0.029 . 1 . . . . 2440 GLU N . 15777 1 170 . 1 1 18 18 GLY H H 1 7.921 0.003 . 1 . . . . 2441 GLY H . 15777 1 171 . 1 1 18 18 GLY HA2 H 1 4.889 0.015 . 2 . . . . 2441 GLY HA2 . 15777 1 172 . 1 1 18 18 GLY HA3 H 1 3.707 0.015 . 2 . . . . 2441 GLY HA3 . 15777 1 173 . 1 1 18 18 GLY C C 13 170.965 0.15 . 1 . . . . 2441 GLY C . 15777 1 174 . 1 1 18 18 GLY CA C 13 45.549 0.028 . 1 . . . . 2441 GLY CA . 15777 1 175 . 1 1 18 18 GLY N N 15 109.165 0.017 . 1 . . . . 2441 GLY N . 15777 1 176 . 1 1 19 19 GLY H H 1 7.540 0.002 . 1 . . . . 2442 GLY H . 15777 1 177 . 1 1 19 19 GLY HA2 H 1 4.086 0.015 . 1 . . . . 2442 GLY QA . 15777 1 178 . 1 1 19 19 GLY HA3 H 1 4.086 0.015 . 1 . . . . 2442 GLY QA . 15777 1 179 . 1 1 19 19 GLY C C 13 171.051 0.15 . 1 . . . . 2442 GLY C . 15777 1 180 . 1 1 19 19 GLY CA C 13 44.937 0.035 . 1 . . . . 2442 GLY CA . 15777 1 181 . 1 1 19 19 GLY N N 15 105.460 0.018 . 1 . . . . 2442 GLY N . 15777 1 182 . 1 1 20 20 VAL H H 1 8.899 0.001 . 1 . . . . 2443 VAL H . 15777 1 183 . 1 1 20 20 VAL HA H 1 5.062 0.002 . 1 . . . . 2443 VAL HA . 15777 1 184 . 1 1 20 20 VAL HB H 1 1.804 0.003 . 1 . . . . 2443 VAL HB . 15777 1 185 . 1 1 20 20 VAL HG11 H 1 0.866 0.005 . 1 . . . . 2443 VAL QG1 . 15777 1 186 . 1 1 20 20 VAL HG12 H 1 0.866 0.005 . 1 . . . . 2443 VAL QG1 . 15777 1 187 . 1 1 20 20 VAL HG13 H 1 0.866 0.005 . 1 . . . . 2443 VAL QG1 . 15777 1 188 . 1 1 20 20 VAL HG21 H 1 1.015 0.008 . 1 . . . . 2443 VAL QG2 . 15777 1 189 . 1 1 20 20 VAL HG22 H 1 1.015 0.008 . 1 . . . . 2443 VAL QG2 . 15777 1 190 . 1 1 20 20 VAL HG23 H 1 1.015 0.008 . 1 . . . . 2443 VAL QG2 . 15777 1 191 . 1 1 20 20 VAL C C 13 176.623 0.15 . 1 . . . . 2443 VAL C . 15777 1 192 . 1 1 20 20 VAL CA C 13 60.197 0.063 . 1 . . . . 2443 VAL CA . 15777 1 193 . 1 1 20 20 VAL CB C 13 35.107 0.058 . 1 . . . . 2443 VAL CB . 15777 1 194 . 1 1 20 20 VAL CG1 C 13 21.140 0.065 . 1 . . . . 2443 VAL CG1 . 15777 1 195 . 1 1 20 20 VAL CG2 C 13 21.104 0.033 . 1 . . . . 2443 VAL CG2 . 15777 1 196 . 1 1 20 20 VAL N N 15 122.753 0.024 . 1 . . . . 2443 VAL N . 15777 1 197 . 1 1 21 21 THR H H 1 8.630 0.002 . 1 . . . . 2444 THR H . 15777 1 198 . 1 1 21 21 THR HA H 1 3.773 0.008 . 1 . . . . 2444 THR HA . 15777 1 199 . 1 1 21 21 THR HB H 1 3.916 0.004 . 1 . . . . 2444 THR HB . 15777 1 200 . 1 1 21 21 THR HG21 H 1 0.714 0.004 . 1 . . . . 2444 THR QG2 . 15777 1 201 . 1 1 21 21 THR HG22 H 1 0.714 0.004 . 1 . . . . 2444 THR QG2 . 15777 1 202 . 1 1 21 21 THR HG23 H 1 0.714 0.004 . 1 . . . . 2444 THR QG2 . 15777 1 203 . 1 1 21 21 THR C C 13 175.646 0.15 . 1 . . . . 2444 THR C . 15777 1 204 . 1 1 21 21 THR CA C 13 62.732 0.068 . 1 . . . . 2444 THR CA . 15777 1 205 . 1 1 21 21 THR CB C 13 68.925 0.091 . 1 . . . . 2444 THR CB . 15777 1 206 . 1 1 21 21 THR CG2 C 13 23.899 0.096 . 1 . . . . 2444 THR CG2 . 15777 1 207 . 1 1 21 21 THR N N 15 118.179 0.026 . 1 . . . . 2444 THR N . 15777 1 208 . 1 1 22 22 GLY H H 1 8.736 0.002 . 1 . . . . 2445 GLY H . 15777 1 209 . 1 1 22 22 GLY HA2 H 1 3.412 0.015 . 1 . . . . 2445 GLY HA2 . 15777 1 210 . 1 1 22 22 GLY HA3 H 1 4.061 0.015 . 1 . . . . 2445 GLY HA3 . 15777 1 211 . 1 1 22 22 GLY C C 13 172.973 0.15 . 1 . . . . 2445 GLY C . 15777 1 212 . 1 1 22 22 GLY CA C 13 45.577 0.034 . 1 . . . . 2445 GLY CA . 15777 1 213 . 1 1 22 22 GLY N N 15 107.888 0.013 . 1 . . . . 2445 GLY N . 15777 1 214 . 1 1 23 23 ASN H H 1 7.877 0.001 . 1 . . . . 2446 ASN H . 15777 1 215 . 1 1 23 23 ASN HA H 1 5.253 0.002 . 1 . . . . 2446 ASN HA . 15777 1 216 . 1 1 23 23 ASN HB2 H 1 2.755 0.004 . 2 . . . . 2446 ASN HB2 . 15777 1 217 . 1 1 23 23 ASN HB3 H 1 2.595 0.003 . 2 . . . . 2446 ASN HB3 . 15777 1 218 . 1 1 23 23 ASN HD21 H 1 7.075 0.015 . 2 . . . . 2446 ASN HD21 . 15777 1 219 . 1 1 23 23 ASN HD22 H 1 6.937 0.015 . 2 . . . . 2446 ASN HD22 . 15777 1 220 . 1 1 23 23 ASN CA C 13 49.740 0.073 . 1 . . . . 2446 ASN CA . 15777 1 221 . 1 1 23 23 ASN CB C 13 40.198 0.055 . 1 . . . . 2446 ASN CB . 15777 1 222 . 1 1 23 23 ASN N N 15 120.684 0.022 . 1 . . . . 2446 ASN N . 15777 1 223 . 1 1 23 23 ASN ND2 N 15 113.899 0.15 . 1 . . . . 2446 ASN ND2 . 15777 1 224 . 1 1 24 24 PRO HA H 1 4.525 0.011 . 1 . . . . 2447 PRO HA . 15777 1 225 . 1 1 24 24 PRO HB2 H 1 1.877 0.012 . 2 . . . . 2447 PRO HB2 . 15777 1 226 . 1 1 24 24 PRO HB3 H 1 1.684 0.008 . 2 . . . . 2447 PRO HB3 . 15777 1 227 . 1 1 24 24 PRO HD2 H 1 3.665 0.004 . 1 . . . . 2447 PRO HD2 . 15777 1 228 . 1 1 24 24 PRO HD3 H 1 3.757 0.005 . 1 . . . . 2447 PRO HD3 . 15777 1 229 . 1 1 24 24 PRO HG2 H 1 2.056 0.008 . 2 . . . . 2447 PRO HG2 . 15777 1 230 . 1 1 24 24 PRO HG3 H 1 1.930 0.001 . 2 . . . . 2447 PRO HG3 . 15777 1 231 . 1 1 24 24 PRO CA C 13 62.766 0.076 . 1 . . . . 2447 PRO CA . 15777 1 232 . 1 1 24 24 PRO CB C 13 31.732 0.090 . 1 . . . . 2447 PRO CB . 15777 1 233 . 1 1 24 24 PRO CD C 13 50.416 0.004 . 1 . . . . 2447 PRO CD . 15777 1 234 . 1 1 24 24 PRO CG C 13 27.437 0.051 . 1 . . . . 2447 PRO CG . 15777 1 235 . 1 1 25 25 ALA H H 1 9.178 0.010 . 1 . . . . 2448 ALA H . 15777 1 236 . 1 1 25 25 ALA HA H 1 4.614 0.006 . 1 . . . . 2448 ALA HA . 15777 1 237 . 1 1 25 25 ALA HB1 H 1 0.723 0.003 . 1 . . . . 2448 ALA QB . 15777 1 238 . 1 1 25 25 ALA HB2 H 1 0.723 0.003 . 1 . . . . 2448 ALA QB . 15777 1 239 . 1 1 25 25 ALA HB3 H 1 0.723 0.003 . 1 . . . . 2448 ALA QB . 15777 1 240 . 1 1 25 25 ALA C C 13 175.503 0.15 . 1 . . . . 2448 ALA C . 15777 1 241 . 1 1 25 25 ALA CA C 13 50.526 0.050 . 1 . . . . 2448 ALA CA . 15777 1 242 . 1 1 25 25 ALA CB C 13 20.458 0.091 . 1 . . . . 2448 ALA CB . 15777 1 243 . 1 1 25 25 ALA N N 15 132.079 0.054 . 1 . . . . 2448 ALA N . 15777 1 244 . 1 1 26 26 GLU H H 1 8.813 0.003 . 1 . . . . 2449 GLU H . 15777 1 245 . 1 1 26 26 GLU HA H 1 5.830 0.002 . 1 . . . . 2449 GLU HA . 15777 1 246 . 1 1 26 26 GLU HB2 H 1 2.098 0.010 . 2 . . . . 2449 GLU HB2 . 15777 1 247 . 1 1 26 26 GLU HB3 H 1 1.870 0.007 . 2 . . . . 2449 GLU HB3 . 15777 1 248 . 1 1 26 26 GLU HG2 H 1 2.094 0.006 . 1 . . . . 2449 GLU QG . 15777 1 249 . 1 1 26 26 GLU HG3 H 1 2.094 0.006 . 1 . . . . 2449 GLU QG . 15777 1 250 . 1 1 26 26 GLU C C 13 176.272 0.15 . 1 . . . . 2449 GLU C . 15777 1 251 . 1 1 26 26 GLU CA C 13 54.376 0.073 . 1 . . . . 2449 GLU CA . 15777 1 252 . 1 1 26 26 GLU CB C 13 35.463 0.154 . 1 . . . . 2449 GLU CB . 15777 1 253 . 1 1 26 26 GLU CG C 13 36.657 0.049 . 1 . . . . 2449 GLU CG . 15777 1 254 . 1 1 26 26 GLU N N 15 120.079 0.036 . 1 . . . . 2449 GLU N . 15777 1 255 . 1 1 27 27 PHE H H 1 8.782 0.001 . 1 . . . . 2450 PHE H . 15777 1 256 . 1 1 27 27 PHE HA H 1 5.021 0.004 . 1 . . . . 2450 PHE HA . 15777 1 257 . 1 1 27 27 PHE HB2 H 1 2.817 0.011 . 1 . . . . 2450 PHE QB . 15777 1 258 . 1 1 27 27 PHE HB3 H 1 2.817 0.011 . 1 . . . . 2450 PHE QB . 15777 1 259 . 1 1 27 27 PHE HD1 H 1 6.575 0.001 . 3 . . . . 2450 PHE QD . 15777 1 260 . 1 1 27 27 PHE HD2 H 1 6.575 0.001 . 3 . . . . 2450 PHE QD . 15777 1 261 . 1 1 27 27 PHE HE1 H 1 6.841 0.015 . 3 . . . . 2450 PHE QE . 15777 1 262 . 1 1 27 27 PHE HE2 H 1 6.841 0.015 . 3 . . . . 2450 PHE QE . 15777 1 263 . 1 1 27 27 PHE HZ H 1 6.745 0.015 . 1 . . . . 2450 PHE HZ . 15777 1 264 . 1 1 27 27 PHE C C 13 171.205 0.15 . 1 . . . . 2450 PHE C . 15777 1 265 . 1 1 27 27 PHE CA C 13 56.852 0.070 . 1 . . . . 2450 PHE CA . 15777 1 266 . 1 1 27 27 PHE CB C 13 41.080 0.090 . 1 . . . . 2450 PHE CB . 15777 1 267 . 1 1 27 27 PHE CD1 C 13 132.029 0.15 . 3 . . . . 2450 PHE CD1 . 15777 1 268 . 1 1 27 27 PHE CE1 C 13 130.235 0.15 . 3 . . . . 2450 PHE CE1 . 15777 1 269 . 1 1 27 27 PHE CZ C 13 128.814 0.15 . 1 . . . . 2450 PHE CZ . 15777 1 270 . 1 1 27 27 PHE N N 15 118.670 0.019 . 1 . . . . 2450 PHE N . 15777 1 271 . 1 1 28 28 VAL H H 1 8.961 0.001 . 1 . . . . 2451 VAL H . 15777 1 272 . 1 1 28 28 VAL HA H 1 4.761 0.003 . 1 . . . . 2451 VAL HA . 15777 1 273 . 1 1 28 28 VAL HB H 1 1.201 0.004 . 1 . . . . 2451 VAL HB . 15777 1 274 . 1 1 28 28 VAL HG11 H 1 0.820 0.007 . 2 . . . . 2451 VAL QG1 . 15777 1 275 . 1 1 28 28 VAL HG12 H 1 0.820 0.007 . 2 . . . . 2451 VAL QG1 . 15777 1 276 . 1 1 28 28 VAL HG13 H 1 0.820 0.007 . 2 . . . . 2451 VAL QG1 . 15777 1 277 . 1 1 28 28 VAL HG21 H 1 0.616 0.007 . 2 . . . . 2451 VAL QG2 . 15777 1 278 . 1 1 28 28 VAL HG22 H 1 0.616 0.007 . 2 . . . . 2451 VAL QG2 . 15777 1 279 . 1 1 28 28 VAL HG23 H 1 0.616 0.007 . 2 . . . . 2451 VAL QG2 . 15777 1 280 . 1 1 28 28 VAL C C 13 174.673 0.15 . 1 . . . . 2451 VAL C . 15777 1 281 . 1 1 28 28 VAL CA C 13 60.619 0.050 . 1 . . . . 2451 VAL CA . 15777 1 282 . 1 1 28 28 VAL CB C 13 35.484 0.067 . 1 . . . . 2451 VAL CB . 15777 1 283 . 1 1 28 28 VAL CG1 C 13 22.035 0.064 . 2 . . . . 2451 VAL CG1 . 15777 1 284 . 1 1 28 28 VAL CG2 C 13 20.806 0.046 . 2 . . . . 2451 VAL CG2 . 15777 1 285 . 1 1 28 28 VAL N N 15 121.552 0.030 . 1 . . . . 2451 VAL N . 15777 1 286 . 1 1 29 29 VAL H H 1 9.294 0.004 . 1 . . . . 2452 VAL H . 15777 1 287 . 1 1 29 29 VAL HA H 1 4.363 0.003 . 1 . . . . 2452 VAL HA . 15777 1 288 . 1 1 29 29 VAL HB H 1 2.117 0.007 . 1 . . . . 2452 VAL HB . 15777 1 289 . 1 1 29 29 VAL HG11 H 1 0.816 0.009 . 1 . . . . 2452 VAL QG1 . 15777 1 290 . 1 1 29 29 VAL HG12 H 1 0.816 0.009 . 1 . . . . 2452 VAL QG1 . 15777 1 291 . 1 1 29 29 VAL HG13 H 1 0.816 0.009 . 1 . . . . 2452 VAL QG1 . 15777 1 292 . 1 1 29 29 VAL HG21 H 1 1.011 0.003 . 1 . . . . 2452 VAL QG2 . 15777 1 293 . 1 1 29 29 VAL HG22 H 1 1.011 0.003 . 1 . . . . 2452 VAL QG2 . 15777 1 294 . 1 1 29 29 VAL HG23 H 1 1.011 0.003 . 1 . . . . 2452 VAL QG2 . 15777 1 295 . 1 1 29 29 VAL C C 13 174.218 0.15 . 1 . . . . 2452 VAL C . 15777 1 296 . 1 1 29 29 VAL CA C 13 61.526 0.046 . 1 . . . . 2452 VAL CA . 15777 1 297 . 1 1 29 29 VAL CB C 13 32.666 0.108 . 1 . . . . 2452 VAL CB . 15777 1 298 . 1 1 29 29 VAL CG1 C 13 22.153 0.080 . 1 . . . . 2452 VAL CG1 . 15777 1 299 . 1 1 29 29 VAL CG2 C 13 21.404 0.037 . 1 . . . . 2452 VAL CG2 . 15777 1 300 . 1 1 29 29 VAL N N 15 125.585 0.038 . 1 . . . . 2452 VAL N . 15777 1 301 . 1 1 30 30 ASN H H 1 9.465 0.002 . 1 . . . . 2453 ASN H . 15777 1 302 . 1 1 30 30 ASN HA H 1 5.096 0.006 . 1 . . . . 2453 ASN HA . 15777 1 303 . 1 1 30 30 ASN HB2 H 1 2.570 0.004 . 1 . . . . 2453 ASN HB2 . 15777 1 304 . 1 1 30 30 ASN HB3 H 1 3.575 0.004 . 1 . . . . 2453 ASN HB3 . 15777 1 305 . 1 1 30 30 ASN HD21 H 1 7.828 0.015 . 2 . . . . 2453 ASN HD21 . 15777 1 306 . 1 1 30 30 ASN HD22 H 1 7.272 0.015 . 2 . . . . 2453 ASN HD22 . 15777 1 307 . 1 1 30 30 ASN C C 13 176.216 0.15 . 1 . . . . 2453 ASN C . 15777 1 308 . 1 1 30 30 ASN CA C 13 52.011 0.060 . 1 . . . . 2453 ASN CA . 15777 1 309 . 1 1 30 30 ASN CB C 13 39.057 0.077 . 1 . . . . 2453 ASN CB . 15777 1 310 . 1 1 30 30 ASN N N 15 127.724 0.044 . 1 . . . . 2453 ASN N . 15777 1 311 . 1 1 30 30 ASN ND2 N 15 114.401 0.006 . 1 . . . . 2453 ASN ND2 . 15777 1 312 . 1 1 31 31 THR H H 1 8.915 0.001 . 1 . . . . 2454 THR H . 15777 1 313 . 1 1 31 31 THR HA H 1 4.342 0.004 . 1 . . . . 2454 THR HA . 15777 1 314 . 1 1 31 31 THR HB H 1 4.627 0.005 . 1 . . . . 2454 THR HB . 15777 1 315 . 1 1 31 31 THR HG21 H 1 1.011 0.003 . 1 . . . . 2454 THR QG2 . 15777 1 316 . 1 1 31 31 THR HG22 H 1 1.011 0.003 . 1 . . . . 2454 THR QG2 . 15777 1 317 . 1 1 31 31 THR HG23 H 1 1.011 0.003 . 1 . . . . 2454 THR QG2 . 15777 1 318 . 1 1 31 31 THR C C 13 176.816 0.15 . 1 . . . . 2454 THR C . 15777 1 319 . 1 1 31 31 THR CA C 13 61.117 0.050 . 1 . . . . 2454 THR CA . 15777 1 320 . 1 1 31 31 THR CB C 13 68.209 0.091 . 1 . . . . 2454 THR CB . 15777 1 321 . 1 1 31 31 THR CG2 C 13 22.853 0.032 . 1 . . . . 2454 THR CG2 . 15777 1 322 . 1 1 31 31 THR N N 15 117.783 0.029 . 1 . . . . 2454 THR N . 15777 1 323 . 1 1 32 32 SER H H 1 8.454 0.002 . 1 . . . . 2455 SER H . 15777 1 324 . 1 1 32 32 SER HA H 1 4.155 0.005 . 1 . . . . 2455 SER HA . 15777 1 325 . 1 1 32 32 SER HB2 H 1 4.014 0.011 . 2 . . . . 2455 SER HB2 . 15777 1 326 . 1 1 32 32 SER HB3 H 1 3.953 0.011 . 2 . . . . 2455 SER HB3 . 15777 1 327 . 1 1 32 32 SER C C 13 175.458 0.15 . 1 . . . . 2455 SER C . 15777 1 328 . 1 1 32 32 SER CA C 13 62.148 0.123 . 1 . . . . 2455 SER CA . 15777 1 329 . 1 1 32 32 SER CB C 13 63.476 0.088 . 1 . . . . 2455 SER CB . 15777 1 330 . 1 1 32 32 SER N N 15 121.781 0.033 . 1 . . . . 2455 SER N . 15777 1 331 . 1 1 33 33 ASN H H 1 8.845 0.003 . 1 . . . . 2456 ASN H . 15777 1 332 . 1 1 33 33 ASN HA H 1 5.064 0.001 . 1 . . . . 2456 ASN HA . 15777 1 333 . 1 1 33 33 ASN HB2 H 1 2.637 0.003 . 1 . . . . 2456 ASN HB2 . 15777 1 334 . 1 1 33 33 ASN HB3 H 1 2.984 0.004 . 1 . . . . 2456 ASN HB3 . 15777 1 335 . 1 1 33 33 ASN HD21 H 1 7.560 0.015 . 2 . . . . 2456 ASN HD21 . 15777 1 336 . 1 1 33 33 ASN HD22 H 1 6.951 0.015 . 2 . . . . 2456 ASN HD22 . 15777 1 337 . 1 1 33 33 ASN C C 13 174.674 0.15 . 1 . . . . 2456 ASN C . 15777 1 338 . 1 1 33 33 ASN CA C 13 53.067 0.075 . 1 . . . . 2456 ASN CA . 15777 1 339 . 1 1 33 33 ASN CB C 13 39.632 0.075 . 1 . . . . 2456 ASN CB . 15777 1 340 . 1 1 33 33 ASN N N 15 120.176 0.026 . 1 . . . . 2456 ASN N . 15777 1 341 . 1 1 33 33 ASN ND2 N 15 114.772 0.15 . 1 . . . . 2456 ASN ND2 . 15777 1 342 . 1 1 34 34 ALA H H 1 7.714 0.002 . 1 . . . . 2457 ALA H . 15777 1 343 . 1 1 34 34 ALA HA H 1 4.482 0.005 . 1 . . . . 2457 ALA HA . 15777 1 344 . 1 1 34 34 ALA HB1 H 1 1.256 0.003 . 1 . . . . 2457 ALA QB . 15777 1 345 . 1 1 34 34 ALA HB2 H 1 1.256 0.003 . 1 . . . . 2457 ALA QB . 15777 1 346 . 1 1 34 34 ALA HB3 H 1 1.256 0.003 . 1 . . . . 2457 ALA QB . 15777 1 347 . 1 1 34 34 ALA C C 13 177.582 0.15 . 1 . . . . 2457 ALA C . 15777 1 348 . 1 1 34 34 ALA CA C 13 52.521 0.038 . 1 . . . . 2457 ALA CA . 15777 1 349 . 1 1 34 34 ALA CB C 13 22.252 0.061 . 1 . . . . 2457 ALA CB . 15777 1 350 . 1 1 34 34 ALA N N 15 123.065 0.027 . 1 . . . . 2457 ALA N . 15777 1 351 . 1 1 35 35 GLY H H 1 8.195 0.002 . 1 . . . . 2458 GLY H . 15777 1 352 . 1 1 35 35 GLY HA2 H 1 4.246 0.004 . 2 . . . . 2458 GLY HA2 . 15777 1 353 . 1 1 35 35 GLY HA3 H 1 3.902 0.014 . 2 . . . . 2458 GLY HA3 . 15777 1 354 . 1 1 35 35 GLY C C 13 173.360 0.15 . 1 . . . . 2458 GLY C . 15777 1 355 . 1 1 35 35 GLY CA C 13 44.486 0.077 . 1 . . . . 2458 GLY CA . 15777 1 356 . 1 1 35 35 GLY N N 15 108.472 0.015 . 1 . . . . 2458 GLY N . 15777 1 357 . 1 1 36 36 ALA H H 1 8.430 0.002 . 1 . . . . 2459 ALA H . 15777 1 358 . 1 1 36 36 ALA HA H 1 4.472 0.009 . 1 . . . . 2459 ALA HA . 15777 1 359 . 1 1 36 36 ALA HB1 H 1 1.383 0.010 . 1 . . . . 2459 ALA QB . 15777 1 360 . 1 1 36 36 ALA HB2 H 1 1.383 0.010 . 1 . . . . 2459 ALA QB . 15777 1 361 . 1 1 36 36 ALA HB3 H 1 1.383 0.010 . 1 . . . . 2459 ALA QB . 15777 1 362 . 1 1 36 36 ALA C C 13 176.968 0.15 . 1 . . . . 2459 ALA C . 15777 1 363 . 1 1 36 36 ALA CA C 13 52.695 0.099 . 1 . . . . 2459 ALA CA . 15777 1 364 . 1 1 36 36 ALA CB C 13 19.360 0.060 . 1 . . . . 2459 ALA CB . 15777 1 365 . 1 1 36 36 ALA N N 15 126.012 0.044 . 1 . . . . 2459 ALA N . 15777 1 366 . 1 1 37 37 GLY H H 1 7.781 0.002 . 1 . . . . 2460 GLY H . 15777 1 367 . 1 1 37 37 GLY HA2 H 1 3.856 0.015 . 2 . . . . 2460 GLY HA2 . 15777 1 368 . 1 1 37 37 GLY HA3 H 1 3.164 0.015 . 2 . . . . 2460 GLY HA3 . 15777 1 369 . 1 1 37 37 GLY C C 13 170.730 0.15 . 1 . . . . 2460 GLY C . 15777 1 370 . 1 1 37 37 GLY CA C 13 44.747 0.036 . 1 . . . . 2460 GLY CA . 15777 1 371 . 1 1 37 37 GLY N N 15 109.493 0.021 . 1 . . . . 2460 GLY N . 15777 1 372 . 1 1 38 38 ALA H H 1 8.055 0.002 . 1 . . . . 2461 ALA H . 15777 1 373 . 1 1 38 38 ALA HA H 1 4.389 0.005 . 1 . . . . 2461 ALA HA . 15777 1 374 . 1 1 38 38 ALA HB1 H 1 1.181 0.004 . 1 . . . . 2461 ALA QB . 15777 1 375 . 1 1 38 38 ALA HB2 H 1 1.181 0.004 . 1 . . . . 2461 ALA QB . 15777 1 376 . 1 1 38 38 ALA HB3 H 1 1.181 0.004 . 1 . . . . 2461 ALA QB . 15777 1 377 . 1 1 38 38 ALA C C 13 176.609 0.15 . 1 . . . . 2461 ALA C . 15777 1 378 . 1 1 38 38 ALA CA C 13 51.419 0.063 . 1 . . . . 2461 ALA CA . 15777 1 379 . 1 1 38 38 ALA CB C 13 19.665 0.077 . 1 . . . . 2461 ALA CB . 15777 1 380 . 1 1 38 38 ALA N N 15 121.997 0.029 . 1 . . . . 2461 ALA N . 15777 1 381 . 1 1 39 39 LEU H H 1 8.597 0.003 . 1 . . . . 2462 LEU H . 15777 1 382 . 1 1 39 39 LEU HA H 1 5.022 0.002 . 1 . . . . 2462 LEU HA . 15777 1 383 . 1 1 39 39 LEU HB2 H 1 1.500 0.005 . 2 . . . . 2462 LEU HB2 . 15777 1 384 . 1 1 39 39 LEU HB3 H 1 1.126 0.003 . 2 . . . . 2462 LEU HB3 . 15777 1 385 . 1 1 39 39 LEU HD11 H 1 0.926 0.003 . 2 . . . . 2462 LEU QD1 . 15777 1 386 . 1 1 39 39 LEU HD12 H 1 0.926 0.003 . 2 . . . . 2462 LEU QD1 . 15777 1 387 . 1 1 39 39 LEU HD13 H 1 0.926 0.003 . 2 . . . . 2462 LEU QD1 . 15777 1 388 . 1 1 39 39 LEU HD21 H 1 0.348 0.003 . 2 . . . . 2462 LEU QD2 . 15777 1 389 . 1 1 39 39 LEU HD22 H 1 0.348 0.003 . 2 . . . . 2462 LEU QD2 . 15777 1 390 . 1 1 39 39 LEU HD23 H 1 0.348 0.003 . 2 . . . . 2462 LEU QD2 . 15777 1 391 . 1 1 39 39 LEU HG H 1 1.314 0.005 . 1 . . . . 2462 LEU HG . 15777 1 392 . 1 1 39 39 LEU C C 13 175.883 0.15 . 1 . . . . 2462 LEU C . 15777 1 393 . 1 1 39 39 LEU CA C 13 53.907 0.080 . 1 . . . . 2462 LEU CA . 15777 1 394 . 1 1 39 39 LEU CB C 13 44.576 0.117 . 1 . . . . 2462 LEU CB . 15777 1 395 . 1 1 39 39 LEU CD1 C 13 24.857 0.053 . 2 . . . . 2462 LEU CD1 . 15777 1 396 . 1 1 39 39 LEU CD2 C 13 26.077 0.051 . 2 . . . . 2462 LEU CD2 . 15777 1 397 . 1 1 39 39 LEU CG C 13 27.423 0.110 . 1 . . . . 2462 LEU CG . 15777 1 398 . 1 1 39 39 LEU N N 15 126.664 0.031 . 1 . . . . 2462 LEU N . 15777 1 399 . 1 1 40 40 SER H H 1 8.898 0.002 . 1 . . . . 2463 SER H . 15777 1 400 . 1 1 40 40 SER HA H 1 4.732 0.015 . 1 . . . . 2463 SER HA . 15777 1 401 . 1 1 40 40 SER HB2 H 1 3.588 0.004 . 1 . . . . 2463 SER QB . 15777 1 402 . 1 1 40 40 SER HB3 H 1 3.588 0.004 . 1 . . . . 2463 SER QB . 15777 1 403 . 1 1 40 40 SER C C 13 172.984 0.15 . 1 . . . . 2463 SER C . 15777 1 404 . 1 1 40 40 SER CA C 13 56.730 0.027 . 1 . . . . 2463 SER CA . 15777 1 405 . 1 1 40 40 SER CB C 13 64.648 0.091 . 1 . . . . 2463 SER CB . 15777 1 406 . 1 1 40 40 SER N N 15 122.932 0.052 . 1 . . . . 2463 SER N . 15777 1 407 . 1 1 41 41 VAL H H 1 8.538 0.002 . 1 . . . . 2464 VAL H . 15777 1 408 . 1 1 41 41 VAL HA H 1 5.131 0.008 . 1 . . . . 2464 VAL HA . 15777 1 409 . 1 1 41 41 VAL HB H 1 1.902 0.006 . 1 . . . . 2464 VAL HB . 15777 1 410 . 1 1 41 41 VAL HG11 H 1 0.911 0.008 . 2 . . . . 2464 VAL QG1 . 15777 1 411 . 1 1 41 41 VAL HG12 H 1 0.911 0.008 . 2 . . . . 2464 VAL QG1 . 15777 1 412 . 1 1 41 41 VAL HG13 H 1 0.911 0.008 . 2 . . . . 2464 VAL QG1 . 15777 1 413 . 1 1 41 41 VAL HG21 H 1 0.909 0.015 . 2 . . . . 2464 VAL QG2 . 15777 1 414 . 1 1 41 41 VAL HG22 H 1 0.909 0.015 . 2 . . . . 2464 VAL QG2 . 15777 1 415 . 1 1 41 41 VAL HG23 H 1 0.909 0.015 . 2 . . . . 2464 VAL QG2 . 15777 1 416 . 1 1 41 41 VAL C C 13 174.812 0.15 . 1 . . . . 2464 VAL C . 15777 1 417 . 1 1 41 41 VAL CA C 13 60.784 0.059 . 1 . . . . 2464 VAL CA . 15777 1 418 . 1 1 41 41 VAL CB C 13 34.262 0.080 . 1 . . . . 2464 VAL CB . 15777 1 419 . 1 1 41 41 VAL CG1 C 13 21.482 0.023 . 2 . . . . 2464 VAL CG1 . 15777 1 420 . 1 1 41 41 VAL N N 15 129.161 0.038 . 1 . . . . 2464 VAL N . 15777 1 421 . 1 1 42 42 THR H H 1 8.807 0.003 . 1 . . . . 2465 THR H . 15777 1 422 . 1 1 42 42 THR HA H 1 4.573 0.010 . 1 . . . . 2465 THR HA . 15777 1 423 . 1 1 42 42 THR HB H 1 4.075 0.005 . 1 . . . . 2465 THR HB . 15777 1 424 . 1 1 42 42 THR HG21 H 1 1.138 0.003 . 1 . . . . 2465 THR QG2 . 15777 1 425 . 1 1 42 42 THR HG22 H 1 1.138 0.003 . 1 . . . . 2465 THR QG2 . 15777 1 426 . 1 1 42 42 THR HG23 H 1 1.138 0.003 . 1 . . . . 2465 THR QG2 . 15777 1 427 . 1 1 42 42 THR CA C 13 60.408 0.069 . 1 . . . . 2465 THR CA . 15777 1 428 . 1 1 42 42 THR CB C 13 71.764 0.094 . 1 . . . . 2465 THR CB . 15777 1 429 . 1 1 42 42 THR CG2 C 13 21.962 0.103 . 1 . . . . 2465 THR CG2 . 15777 1 430 . 1 1 42 42 THR N N 15 120.898 0.048 . 1 . . . . 2465 THR N . 15777 1 431 . 1 1 43 43 ILE H H 1 8.648 0.003 . 1 . . . . 2466 ILE H . 15777 1 432 . 1 1 43 43 ILE HA H 1 4.854 0.011 . 1 . . . . 2466 ILE HA . 15777 1 433 . 1 1 43 43 ILE HB H 1 1.544 0.004 . 1 . . . . 2466 ILE HB . 15777 1 434 . 1 1 43 43 ILE HD11 H 1 0.156 0.004 . 1 . . . . 2466 ILE QD1 . 15777 1 435 . 1 1 43 43 ILE HD12 H 1 0.156 0.004 . 1 . . . . 2466 ILE QD1 . 15777 1 436 . 1 1 43 43 ILE HD13 H 1 0.156 0.004 . 1 . . . . 2466 ILE QD1 . 15777 1 437 . 1 1 43 43 ILE HG12 H 1 0.745 0.006 . 1 . . . . 2466 ILE HG12 . 15777 1 438 . 1 1 43 43 ILE HG13 H 1 1.377 0.002 . 1 . . . . 2466 ILE HG13 . 15777 1 439 . 1 1 43 43 ILE HG21 H 1 0.526 0.003 . 1 . . . . 2466 ILE QG2 . 15777 1 440 . 1 1 43 43 ILE HG22 H 1 0.526 0.003 . 1 . . . . 2466 ILE QG2 . 15777 1 441 . 1 1 43 43 ILE HG23 H 1 0.526 0.003 . 1 . . . . 2466 ILE QG2 . 15777 1 442 . 1 1 43 43 ILE C C 13 174.073 0.15 . 1 . . . . 2466 ILE C . 15777 1 443 . 1 1 43 43 ILE CA C 13 61.184 0.073 . 1 . . . . 2466 ILE CA . 15777 1 444 . 1 1 43 43 ILE CB C 13 39.516 0.085 . 1 . . . . 2466 ILE CB . 15777 1 445 . 1 1 43 43 ILE CD1 C 13 13.388 0.063 . 1 . . . . 2466 ILE CD1 . 15777 1 446 . 1 1 43 43 ILE CG1 C 13 27.603 0.100 . 1 . . . . 2466 ILE CG1 . 15777 1 447 . 1 1 43 43 ILE CG2 C 13 17.131 0.083 . 1 . . . . 2466 ILE CG2 . 15777 1 448 . 1 1 43 43 ILE N N 15 124.810 0.044 . 1 . . . . 2466 ILE N . 15777 1 449 . 1 1 44 44 ASP H H 1 8.821 0.001 . 1 . . . . 2467 ASP H . 15777 1 450 . 1 1 44 44 ASP HA H 1 5.217 0.003 . 1 . . . . 2467 ASP HA . 15777 1 451 . 1 1 44 44 ASP HB2 H 1 2.723 0.003 . 2 . . . . 2467 ASP HB2 . 15777 1 452 . 1 1 44 44 ASP HB3 H 1 2.520 0.003 . 2 . . . . 2467 ASP HB3 . 15777 1 453 . 1 1 44 44 ASP C C 13 175.002 0.15 . 1 . . . . 2467 ASP C . 15777 1 454 . 1 1 44 44 ASP CA C 13 52.998 0.096 . 1 . . . . 2467 ASP CA . 15777 1 455 . 1 1 44 44 ASP CB C 13 44.728 0.069 . 1 . . . . 2467 ASP CB . 15777 1 456 . 1 1 44 44 ASP N N 15 129.093 0.051 . 1 . . . . 2467 ASP N . 15777 1 457 . 1 1 45 45 GLY H H 1 8.535 0.001 . 1 . . . . 2468 GLY H . 15777 1 458 . 1 1 45 45 GLY HA2 H 1 3.954 0.015 . 2 . . . . 2468 GLY HA2 . 15777 1 459 . 1 1 45 45 GLY HA3 H 1 3.561 0.015 . 2 . . . . 2468 GLY HA3 . 15777 1 460 . 1 1 45 45 GLY CA C 13 45.659 0.014 . 1 . . . . 2468 GLY CA . 15777 1 461 . 1 1 45 45 GLY N N 15 112.751 0.015 . 1 . . . . 2468 GLY N . 15777 1 462 . 1 1 46 46 PRO HA H 1 4.318 0.006 . 1 . . . . 2469 PRO HA . 15777 1 463 . 1 1 46 46 PRO HB2 H 1 2.254 0.012 . 1 . . . . 2469 PRO HB2 . 15777 1 464 . 1 1 46 46 PRO HB3 H 1 1.867 0.005 . 1 . . . . 2469 PRO HB3 . 15777 1 465 . 1 1 46 46 PRO HD2 H 1 2.972 0.004 . 2 . . . . 2469 PRO HD2 . 15777 1 466 . 1 1 46 46 PRO HD3 H 1 1.850 0.002 . 2 . . . . 2469 PRO HD3 . 15777 1 467 . 1 1 46 46 PRO HG2 H 1 1.603 0.008 . 2 . . . . 2469 PRO HG2 . 15777 1 468 . 1 1 46 46 PRO HG3 H 1 1.849 0.005 . 2 . . . . 2469 PRO HG3 . 15777 1 469 . 1 1 46 46 PRO C C 13 176.086 0.15 . 1 . . . . 2469 PRO C . 15777 1 470 . 1 1 46 46 PRO CA C 13 64.198 0.084 . 1 . . . . 2469 PRO CA . 15777 1 471 . 1 1 46 46 PRO CB C 13 32.348 0.074 . 1 . . . . 2469 PRO CB . 15777 1 472 . 1 1 46 46 PRO CD C 13 49.480 0.064 . 1 . . . . 2469 PRO CD . 15777 1 473 . 1 1 46 46 PRO CG C 13 26.906 0.079 . 1 . . . . 2469 PRO CG . 15777 1 474 . 1 1 47 47 SER H H 1 7.106 0.002 . 1 . . . . 2470 SER H . 15777 1 475 . 1 1 47 47 SER HA H 1 4.632 0.006 . 1 . . . . 2470 SER HA . 15777 1 476 . 1 1 47 47 SER HB2 H 1 3.800 0.004 . 1 . . . . 2470 SER QB . 15777 1 477 . 1 1 47 47 SER HB3 H 1 3.800 0.004 . 1 . . . . 2470 SER QB . 15777 1 478 . 1 1 47 47 SER C C 13 172.969 0.15 . 1 . . . . 2470 SER C . 15777 1 479 . 1 1 47 47 SER CA C 13 57.106 0.079 . 1 . . . . 2470 SER CA . 15777 1 480 . 1 1 47 47 SER CB C 13 66.262 0.100 . 1 . . . . 2470 SER CB . 15777 1 481 . 1 1 47 47 SER N N 15 110.556 0.020 . 1 . . . . 2470 SER N . 15777 1 482 . 1 1 48 48 LYS H H 1 8.534 0.005 . 1 . . . . 2471 LYS H . 15777 1 483 . 1 1 48 48 LYS HA H 1 4.486 0.006 . 1 . . . . 2471 LYS HA . 15777 1 484 . 1 1 48 48 LYS HB2 H 1 1.863 0.004 . 1 . . . . 2471 LYS QB . 15777 1 485 . 1 1 48 48 LYS HB3 H 1 1.863 0.004 . 1 . . . . 2471 LYS QB . 15777 1 486 . 1 1 48 48 LYS HD2 H 1 1.764 0.005 . 1 . . . . 2471 LYS QD . 15777 1 487 . 1 1 48 48 LYS HD3 H 1 1.764 0.005 . 1 . . . . 2471 LYS QD . 15777 1 488 . 1 1 48 48 LYS HE2 H 1 3.068 0.003 . 1 . . . . 2471 LYS QE . 15777 1 489 . 1 1 48 48 LYS HE3 H 1 3.068 0.003 . 1 . . . . 2471 LYS QE . 15777 1 490 . 1 1 48 48 LYS HG2 H 1 1.550 0.006 . 1 . . . . 2471 LYS QG . 15777 1 491 . 1 1 48 48 LYS HG3 H 1 1.550 0.006 . 1 . . . . 2471 LYS QG . 15777 1 492 . 1 1 48 48 LYS C C 13 177.231 0.15 . 1 . . . . 2471 LYS C . 15777 1 493 . 1 1 48 48 LYS CA C 13 56.620 0.126 . 1 . . . . 2471 LYS CA . 15777 1 494 . 1 1 48 48 LYS CB C 13 32.379 0.071 . 1 . . . . 2471 LYS CB . 15777 1 495 . 1 1 48 48 LYS CD C 13 29.247 0.098 . 1 . . . . 2471 LYS CD . 15777 1 496 . 1 1 48 48 LYS CE C 13 42.295 0.034 . 1 . . . . 2471 LYS CE . 15777 1 497 . 1 1 48 48 LYS CG C 13 24.966 0.051 . 1 . . . . 2471 LYS CG . 15777 1 498 . 1 1 48 48 LYS N N 15 124.055 0.040 . 1 . . . . 2471 LYS N . 15777 1 499 . 1 1 49 49 VAL H H 1 8.497 0.006 . 1 . . . . 2472 VAL H . 15777 1 500 . 1 1 49 49 VAL HA H 1 4.552 0.009 . 1 . . . . 2472 VAL HA . 15777 1 501 . 1 1 49 49 VAL HB H 1 2.017 0.007 . 1 . . . . 2472 VAL HB . 15777 1 502 . 1 1 49 49 VAL HG11 H 1 0.941 0.003 . 1 . . . . 2472 VAL QG1 . 15777 1 503 . 1 1 49 49 VAL HG12 H 1 0.941 0.003 . 1 . . . . 2472 VAL QG1 . 15777 1 504 . 1 1 49 49 VAL HG13 H 1 0.941 0.003 . 1 . . . . 2472 VAL QG1 . 15777 1 505 . 1 1 49 49 VAL HG21 H 1 0.849 0.003 . 1 . . . . 2472 VAL QG2 . 15777 1 506 . 1 1 49 49 VAL HG22 H 1 0.849 0.003 . 1 . . . . 2472 VAL QG2 . 15777 1 507 . 1 1 49 49 VAL HG23 H 1 0.849 0.003 . 1 . . . . 2472 VAL QG2 . 15777 1 508 . 1 1 49 49 VAL C C 13 175.292 0.15 . 1 . . . . 2472 VAL C . 15777 1 509 . 1 1 49 49 VAL CA C 13 60.142 0.071 . 1 . . . . 2472 VAL CA . 15777 1 510 . 1 1 49 49 VAL CB C 13 33.464 0.038 . 1 . . . . 2472 VAL CB . 15777 1 511 . 1 1 49 49 VAL CG1 C 13 22.963 0.050 . 1 . . . . 2472 VAL CG1 . 15777 1 512 . 1 1 49 49 VAL CG2 C 13 20.510 0.054 . 1 . . . . 2472 VAL CG2 . 15777 1 513 . 1 1 49 49 VAL N N 15 121.233 0.057 . 1 . . . . 2472 VAL N . 15777 1 514 . 1 1 50 50 LYS H H 1 8.190 0.003 . 1 . . . . 2473 LYS H . 15777 1 515 . 1 1 50 50 LYS HA H 1 4.522 0.015 . 1 . . . . 2473 LYS HA . 15777 1 516 . 1 1 50 50 LYS HB2 H 1 1.817 0.015 . 1 . . . . 2473 LYS QB . 15777 1 517 . 1 1 50 50 LYS HB3 H 1 1.817 0.015 . 1 . . . . 2473 LYS QB . 15777 1 518 . 1 1 50 50 LYS CA C 13 55.952 0.016 . 1 . . . . 2473 LYS CA . 15777 1 519 . 1 1 50 50 LYS CB C 13 32.896 0.063 . 1 . . . . 2473 LYS CB . 15777 1 520 . 1 1 50 50 LYS N N 15 126.082 0.045 . 1 . . . . 2473 LYS N . 15777 1 521 . 1 1 51 51 MET H H 1 8.818 0.005 . 1 . . . . 2474 MET H . 15777 1 522 . 1 1 51 51 MET HA H 1 5.324 0.002 . 1 . . . . 2474 MET HA . 15777 1 523 . 1 1 51 51 MET HB2 H 1 1.990 0.003 . 2 . . . . 2474 MET HB2 . 15777 1 524 . 1 1 51 51 MET HB3 H 1 1.836 0.006 . 2 . . . . 2474 MET HB3 . 15777 1 525 . 1 1 51 51 MET HE1 H 1 1.955 0.015 . 1 . . . . 2474 MET QE . 15777 1 526 . 1 1 51 51 MET HE2 H 1 1.955 0.015 . 1 . . . . 2474 MET QE . 15777 1 527 . 1 1 51 51 MET HE3 H 1 1.955 0.015 . 1 . . . . 2474 MET QE . 15777 1 528 . 1 1 51 51 MET HG2 H 1 2.301 0.002 . 1 . . . . 2474 MET QG . 15777 1 529 . 1 1 51 51 MET HG3 H 1 2.301 0.002 . 1 . . . . 2474 MET QG . 15777 1 530 . 1 1 51 51 MET C C 13 173.933 0.15 . 1 . . . . 2474 MET C . 15777 1 531 . 1 1 51 51 MET CA C 13 54.848 0.094 . 1 . . . . 2474 MET CA . 15777 1 532 . 1 1 51 51 MET CB C 13 37.043 0.066 . 1 . . . . 2474 MET CB . 15777 1 533 . 1 1 51 51 MET CE C 13 17.129 0.15 . 1 . . . . 2474 MET CE . 15777 1 534 . 1 1 51 51 MET CG C 13 31.832 0.082 . 1 . . . . 2474 MET CG . 15777 1 535 . 1 1 51 51 MET N N 15 126.911 0.056 . 1 . . . . 2474 MET N . 15777 1 536 . 1 1 52 52 ASP H H 1 9.095 0.003 . 1 . . . . 2475 ASP H . 15777 1 537 . 1 1 52 52 ASP HA H 1 4.947 0.002 . 1 . . . . 2475 ASP HA . 15777 1 538 . 1 1 52 52 ASP HB2 H 1 2.627 0.003 . 2 . . . . 2475 ASP HB2 . 15777 1 539 . 1 1 52 52 ASP HB3 H 1 2.524 0.021 . 2 . . . . 2475 ASP HB3 . 15777 1 540 . 1 1 52 52 ASP C C 13 173.923 0.15 . 1 . . . . 2475 ASP C . 15777 1 541 . 1 1 52 52 ASP CA C 13 53.487 0.064 . 1 . . . . 2475 ASP CA . 15777 1 542 . 1 1 52 52 ASP CB C 13 44.765 0.055 . 1 . . . . 2475 ASP CB . 15777 1 543 . 1 1 52 52 ASP N N 15 125.526 0.042 . 1 . . . . 2475 ASP N . 15777 1 544 . 1 1 53 53 CYS H H 1 8.606 0.002 . 1 . . . . 2476 CYS H . 15777 1 545 . 1 1 53 53 CYS HA H 1 5.145 0.004 . 1 . . . . 2476 CYS HA . 15777 1 546 . 1 1 53 53 CYS HB2 H 1 2.830 0.004 . 2 . . . . 2476 CYS HB2 . 15777 1 547 . 1 1 53 53 CYS HB3 H 1 2.616 0.003 . 2 . . . . 2476 CYS HB3 . 15777 1 548 . 1 1 53 53 CYS C C 13 173.330 0.15 . 1 . . . . 2476 CYS C . 15777 1 549 . 1 1 53 53 CYS CA C 13 57.452 0.060 . 1 . . . . 2476 CYS CA . 15777 1 550 . 1 1 53 53 CYS CB C 13 28.108 0.097 . 1 . . . . 2476 CYS CB . 15777 1 551 . 1 1 53 53 CYS N N 15 124.317 0.033 . 1 . . . . 2476 CYS N . 15777 1 552 . 1 1 54 54 GLN H H 1 8.978 0.002 . 1 . . . . 2477 GLN H . 15777 1 553 . 1 1 54 54 GLN HA H 1 4.884 0.003 . 1 . . . . 2477 GLN HA . 15777 1 554 . 1 1 54 54 GLN HB2 H 1 2.218 0.015 . 2 . . . . 2477 GLN HB2 . 15777 1 555 . 1 1 54 54 GLN HB3 H 1 1.915 0.015 . 2 . . . . 2477 GLN HB3 . 15777 1 556 . 1 1 54 54 GLN HE21 H 1 8.025 0.015 . 2 . . . . 2477 GLN HE21 . 15777 1 557 . 1 1 54 54 GLN HE22 H 1 6.807 0.015 . 2 . . . . 2477 GLN HE22 . 15777 1 558 . 1 1 54 54 GLN HG2 H 1 2.385 0.015 . 1 . . . . 2477 GLN QG . 15777 1 559 . 1 1 54 54 GLN HG3 H 1 2.385 0.015 . 1 . . . . 2477 GLN QG . 15777 1 560 . 1 1 54 54 GLN C C 13 174.854 0.15 . 1 . . . . 2477 GLN C . 15777 1 561 . 1 1 54 54 GLN CA C 13 53.891 0.104 . 1 . . . . 2477 GLN CA . 15777 1 562 . 1 1 54 54 GLN CB C 13 32.837 0.060 . 1 . . . . 2477 GLN CB . 15777 1 563 . 1 1 54 54 GLN CG C 13 33.481 0.15 . 1 . . . . 2477 GLN CG . 15777 1 564 . 1 1 54 54 GLN N N 15 127.074 0.035 . 1 . . . . 2477 GLN N . 15777 1 565 . 1 1 54 54 GLN NE2 N 15 114.844 0.006 . 1 . . . . 2477 GLN NE2 . 15777 1 566 . 1 1 55 55 GLU H H 1 9.065 0.013 . 1 . . . . 2478 GLU H . 15777 1 567 . 1 1 55 55 GLU HA H 1 4.280 0.005 . 1 . . . . 2478 GLU HA . 15777 1 568 . 1 1 55 55 GLU HB2 H 1 1.932 0.004 . 1 . . . . 2478 GLU QB . 15777 1 569 . 1 1 55 55 GLU HB3 H 1 1.932 0.004 . 1 . . . . 2478 GLU QB . 15777 1 570 . 1 1 55 55 GLU HG2 H 1 2.304 0.006 . 2 . . . . 2478 GLU HG2 . 15777 1 571 . 1 1 55 55 GLU HG3 H 1 2.151 0.013 . 2 . . . . 2478 GLU HG3 . 15777 1 572 . 1 1 55 55 GLU C C 13 175.383 0.15 . 1 . . . . 2478 GLU C . 15777 1 573 . 1 1 55 55 GLU CA C 13 57.516 0.067 . 1 . . . . 2478 GLU CA . 15777 1 574 . 1 1 55 55 GLU CB C 13 30.346 0.142 . 1 . . . . 2478 GLU CB . 15777 1 575 . 1 1 55 55 GLU CG C 13 37.087 0.033 . 1 . . . . 2478 GLU CG . 15777 1 576 . 1 1 55 55 GLU N N 15 125.186 0.066 . 1 . . . . 2478 GLU N . 15777 1 577 . 1 1 56 56 CYS H H 1 8.407 0.001 . 1 . . . . 2479 CYS H . 15777 1 578 . 1 1 56 56 CYS HA H 1 5.056 0.002 . 1 . . . . 2479 CYS HA . 15777 1 579 . 1 1 56 56 CYS HB2 H 1 3.283 0.005 . 2 . . . . 2479 CYS HB2 . 15777 1 580 . 1 1 56 56 CYS HB3 H 1 2.831 0.005 . 2 . . . . 2479 CYS HB3 . 15777 1 581 . 1 1 56 56 CYS CA C 13 55.858 0.082 . 1 . . . . 2479 CYS CA . 15777 1 582 . 1 1 56 56 CYS CB C 13 28.676 0.051 . 1 . . . . 2479 CYS CB . 15777 1 583 . 1 1 56 56 CYS N N 15 121.499 0.028 . 1 . . . . 2479 CYS N . 15777 1 584 . 1 1 57 57 PRO HA H 1 4.159 0.004 . 1 . . . . 2480 PRO HA . 15777 1 585 . 1 1 57 57 PRO HB2 H 1 2.377 0.006 . 2 . . . . 2480 PRO HB2 . 15777 1 586 . 1 1 57 57 PRO HB3 H 1 1.862 0.010 . 2 . . . . 2480 PRO HB3 . 15777 1 587 . 1 1 57 57 PRO HD2 H 1 3.801 0.010 . 2 . . . . 2480 PRO HD2 . 15777 1 588 . 1 1 57 57 PRO HD3 H 1 3.701 0.007 . 2 . . . . 2480 PRO HD3 . 15777 1 589 . 1 1 57 57 PRO HG2 H 1 2.185 0.005 . 2 . . . . 2480 PRO HG2 . 15777 1 590 . 1 1 57 57 PRO HG3 H 1 1.956 0.008 . 2 . . . . 2480 PRO HG3 . 15777 1 591 . 1 1 57 57 PRO C C 13 177.964 0.15 . 1 . . . . 2480 PRO C . 15777 1 592 . 1 1 57 57 PRO CA C 13 66.877 0.099 . 1 . . . . 2480 PRO CA . 15777 1 593 . 1 1 57 57 PRO CB C 13 31.709 0.071 . 1 . . . . 2480 PRO CB . 15777 1 594 . 1 1 57 57 PRO CD C 13 50.478 0.088 . 1 . . . . 2480 PRO CD . 15777 1 595 . 1 1 57 57 PRO CG C 13 28.286 0.057 . 1 . . . . 2480 PRO CG . 15777 1 596 . 1 1 58 58 GLU H H 1 8.900 0.002 . 1 . . . . 2481 GLU H . 15777 1 597 . 1 1 58 58 GLU HA H 1 4.201 0.005 . 1 . . . . 2481 GLU HA . 15777 1 598 . 1 1 58 58 GLU HB2 H 1 2.008 0.011 . 1 . . . . 2481 GLU QB . 15777 1 599 . 1 1 58 58 GLU HB3 H 1 2.008 0.011 . 1 . . . . 2481 GLU QB . 15777 1 600 . 1 1 58 58 GLU HG2 H 1 2.258 0.003 . 1 . . . . 2481 GLU QG . 15777 1 601 . 1 1 58 58 GLU HG3 H 1 2.258 0.003 . 1 . . . . 2481 GLU QG . 15777 1 602 . 1 1 58 58 GLU C C 13 175.129 0.15 . 1 . . . . 2481 GLU C . 15777 1 603 . 1 1 58 58 GLU CA C 13 57.883 0.063 . 1 . . . . 2481 GLU CA . 15777 1 604 . 1 1 58 58 GLU CB C 13 29.991 0.084 . 1 . . . . 2481 GLU CB . 15777 1 605 . 1 1 58 58 GLU CG C 13 37.093 0.055 . 1 . . . . 2481 GLU CG . 15777 1 606 . 1 1 58 58 GLU N N 15 115.316 0.021 . 1 . . . . 2481 GLU N . 15777 1 607 . 1 1 59 59 GLY H H 1 7.527 0.002 . 1 . . . . 2482 GLY H . 15777 1 608 . 1 1 59 59 GLY HA2 H 1 4.935 0.002 . 2 . . . . 2482 GLY HA2 . 15777 1 609 . 1 1 59 59 GLY HA3 H 1 3.381 0.005 . 2 . . . . 2482 GLY HA3 . 15777 1 610 . 1 1 59 59 GLY CA C 13 47.809 0.084 . 1 . . . . 2482 GLY CA . 15777 1 611 . 1 1 59 59 GLY N N 15 110.079 0.016 . 1 . . . . 2482 GLY N . 15777 1 612 . 1 1 60 60 TYR H H 1 8.990 0.002 . 1 . . . . 2483 TYR H . 15777 1 613 . 1 1 60 60 TYR HA H 1 5.157 0.007 . 1 . . . . 2483 TYR HA . 15777 1 614 . 1 1 60 60 TYR HB2 H 1 2.330 0.004 . 1 . . . . 2483 TYR HB2 . 15777 1 615 . 1 1 60 60 TYR HB3 H 1 2.783 0.005 . 1 . . . . 2483 TYR HB3 . 15777 1 616 . 1 1 60 60 TYR HD1 H 1 6.802 0.003 . 3 . . . . 2483 TYR QD . 15777 1 617 . 1 1 60 60 TYR HD2 H 1 6.802 0.003 . 3 . . . . 2483 TYR QD . 15777 1 618 . 1 1 60 60 TYR C C 13 175.096 0.15 . 1 . . . . 2483 TYR C . 15777 1 619 . 1 1 60 60 TYR CA C 13 57.375 0.050 . 1 . . . . 2483 TYR CA . 15777 1 620 . 1 1 60 60 TYR CB C 13 43.153 0.067 . 1 . . . . 2483 TYR CB . 15777 1 621 . 1 1 60 60 TYR CD1 C 13 133.138 0.15 . 3 . . . . 2483 TYR CD1 . 15777 1 622 . 1 1 60 60 TYR N N 15 125.900 0.034 . 1 . . . . 2483 TYR N . 15777 1 623 . 1 1 61 61 ARG H H 1 9.557 0.002 . 1 . . . . 2484 ARG H . 15777 1 624 . 1 1 61 61 ARG HA H 1 4.858 0.006 . 1 . . . . 2484 ARG HA . 15777 1 625 . 1 1 61 61 ARG HB2 H 1 1.697 0.011 . 1 . . . . 2484 ARG QB . 15777 1 626 . 1 1 61 61 ARG HB3 H 1 1.697 0.011 . 1 . . . . 2484 ARG QB . 15777 1 627 . 1 1 61 61 ARG HD2 H 1 3.139 0.007 . 2 . . . . 2484 ARG HD2 . 15777 1 628 . 1 1 61 61 ARG HD3 H 1 3.071 0.011 . 2 . . . . 2484 ARG HD3 . 15777 1 629 . 1 1 61 61 ARG HG2 H 1 1.471 0.007 . 2 . . . . 2484 ARG HG2 . 15777 1 630 . 1 1 61 61 ARG HG3 H 1 1.251 0.005 . 2 . . . . 2484 ARG HG3 . 15777 1 631 . 1 1 61 61 ARG CA C 13 55.016 0.062 . 1 . . . . 2484 ARG CA . 15777 1 632 . 1 1 61 61 ARG CB C 13 32.128 0.053 . 1 . . . . 2484 ARG CB . 15777 1 633 . 1 1 61 61 ARG CD C 13 43.070 0.075 . 1 . . . . 2484 ARG CD . 15777 1 634 . 1 1 61 61 ARG CG C 13 27.839 0.116 . 1 . . . . 2484 ARG CG . 15777 1 635 . 1 1 61 61 ARG N N 15 124.847 0.027 . 1 . . . . 2484 ARG N . 15777 1 636 . 1 1 62 62 VAL H H 1 9.046 0.002 . 1 . . . . 2485 VAL H . 15777 1 637 . 1 1 62 62 VAL HA H 1 4.675 0.004 . 1 . . . . 2485 VAL HA . 15777 1 638 . 1 1 62 62 VAL HB H 1 0.110 0.003 . 1 . . . . 2485 VAL HB . 15777 1 639 . 1 1 62 62 VAL HG11 H 1 0.572 0.005 . 2 . . . . 2485 VAL QG1 . 15777 1 640 . 1 1 62 62 VAL HG12 H 1 0.572 0.005 . 2 . . . . 2485 VAL QG1 . 15777 1 641 . 1 1 62 62 VAL HG13 H 1 0.572 0.005 . 2 . . . . 2485 VAL QG1 . 15777 1 642 . 1 1 62 62 VAL HG21 H 1 0.580 0.006 . 2 . . . . 2485 VAL QG2 . 15777 1 643 . 1 1 62 62 VAL HG22 H 1 0.580 0.006 . 2 . . . . 2485 VAL QG2 . 15777 1 644 . 1 1 62 62 VAL HG23 H 1 0.580 0.006 . 2 . . . . 2485 VAL QG2 . 15777 1 645 . 1 1 62 62 VAL C C 13 173.837 0.15 . 1 . . . . 2485 VAL C . 15777 1 646 . 1 1 62 62 VAL CA C 13 60.752 0.070 . 1 . . . . 2485 VAL CA . 15777 1 647 . 1 1 62 62 VAL CB C 13 32.459 0.085 . 1 . . . . 2485 VAL CB . 15777 1 648 . 1 1 62 62 VAL CG1 C 13 22.003 0.142 . 2 . . . . 2485 VAL CG1 . 15777 1 649 . 1 1 62 62 VAL CG2 C 13 21.196 0.086 . 2 . . . . 2485 VAL CG2 . 15777 1 650 . 1 1 62 62 VAL N N 15 132.205 0.056 . 1 . . . . 2485 VAL N . 15777 1 651 . 1 1 63 63 THR H H 1 8.474 0.013 . 1 . . . . 2486 THR H . 15777 1 652 . 1 1 63 63 THR HA H 1 5.392 0.001 . 1 . . . . 2486 THR HA . 15777 1 653 . 1 1 63 63 THR HB H 1 3.841 0.004 . 1 . . . . 2486 THR HB . 15777 1 654 . 1 1 63 63 THR HG21 H 1 1.082 0.004 . 1 . . . . 2486 THR QG2 . 15777 1 655 . 1 1 63 63 THR HG22 H 1 1.082 0.004 . 1 . . . . 2486 THR QG2 . 15777 1 656 . 1 1 63 63 THR HG23 H 1 1.082 0.004 . 1 . . . . 2486 THR QG2 . 15777 1 657 . 1 1 63 63 THR C C 13 173.675 0.15 . 1 . . . . 2486 THR C . 15777 1 658 . 1 1 63 63 THR CA C 13 60.008 0.067 . 1 . . . . 2486 THR CA . 15777 1 659 . 1 1 63 63 THR CB C 13 71.035 0.084 . 1 . . . . 2486 THR CB . 15777 1 660 . 1 1 63 63 THR CG2 C 13 21.818 0.126 . 1 . . . . 2486 THR CG2 . 15777 1 661 . 1 1 63 63 THR N N 15 121.216 0.025 . 1 . . . . 2486 THR N . 15777 1 662 . 1 1 64 64 TYR H H 1 9.409 0.001 . 1 . . . . 2487 TYR H . 15777 1 663 . 1 1 64 64 TYR HA H 1 5.617 0.002 . 1 . . . . 2487 TYR HA . 15777 1 664 . 1 1 64 64 TYR HB2 H 1 2.622 0.004 . 1 . . . . 2487 TYR QB . 15777 1 665 . 1 1 64 64 TYR HB3 H 1 2.622 0.004 . 1 . . . . 2487 TYR QB . 15777 1 666 . 1 1 64 64 TYR HD1 H 1 6.457 0.002 . 3 . . . . 2487 TYR QD . 15777 1 667 . 1 1 64 64 TYR HD2 H 1 6.457 0.002 . 3 . . . . 2487 TYR QD . 15777 1 668 . 1 1 64 64 TYR HE1 H 1 6.085 0.015 . 3 . . . . 2487 TYR QE . 15777 1 669 . 1 1 64 64 TYR HE2 H 1 6.085 0.015 . 3 . . . . 2487 TYR QE . 15777 1 670 . 1 1 64 64 TYR C C 13 172.847 0.15 . 1 . . . . 2487 TYR C . 15777 1 671 . 1 1 64 64 TYR CA C 13 55.557 0.069 . 1 . . . . 2487 TYR CA . 15777 1 672 . 1 1 64 64 TYR CB C 13 41.968 0.070 . 1 . . . . 2487 TYR CB . 15777 1 673 . 1 1 64 64 TYR CD1 C 13 132.495 0.15 . 3 . . . . 2487 TYR CD1 . 15777 1 674 . 1 1 64 64 TYR CE1 C 13 116.415 0.15 . 3 . . . . 2487 TYR CE1 . 15777 1 675 . 1 1 64 64 TYR N N 15 124.061 0.029 . 1 . . . . 2487 TYR N . 15777 1 676 . 1 1 65 65 THR H H 1 8.145 0.001 . 1 . . . . 2488 THR H . 15777 1 677 . 1 1 65 65 THR HA H 1 4.959 0.002 . 1 . . . . 2488 THR HA . 15777 1 678 . 1 1 65 65 THR HB H 1 3.920 0.004 . 1 . . . . 2488 THR HB . 15777 1 679 . 1 1 65 65 THR HG21 H 1 0.774 0.005 . 1 . . . . 2488 THR QG2 . 15777 1 680 . 1 1 65 65 THR HG22 H 1 0.774 0.005 . 1 . . . . 2488 THR QG2 . 15777 1 681 . 1 1 65 65 THR HG23 H 1 0.774 0.005 . 1 . . . . 2488 THR QG2 . 15777 1 682 . 1 1 65 65 THR CA C 13 58.532 0.076 . 1 . . . . 2488 THR CA . 15777 1 683 . 1 1 65 65 THR CB C 13 70.141 0.089 . 1 . . . . 2488 THR CB . 15777 1 684 . 1 1 65 65 THR CG2 C 13 20.587 0.033 . 1 . . . . 2488 THR CG2 . 15777 1 685 . 1 1 65 65 THR N N 15 117.924 0.019 . 1 . . . . 2488 THR N . 15777 1 686 . 1 1 66 66 PRO HA H 1 4.602 0.007 . 1 . . . . 2489 PRO HA . 15777 1 687 . 1 1 66 66 PRO HB2 H 1 1.717 0.008 . 1 . . . . 2489 PRO HB2 . 15777 1 688 . 1 1 66 66 PRO HB3 H 1 1.410 0.007 . 1 . . . . 2489 PRO HB3 . 15777 1 689 . 1 1 66 66 PRO HD2 H 1 4.242 0.004 . 1 . . . . 2489 PRO HD2 . 15777 1 690 . 1 1 66 66 PRO HD3 H 1 3.403 0.016 . 1 . . . . 2489 PRO HD3 . 15777 1 691 . 1 1 66 66 PRO HG2 H 1 1.970 0.006 . 1 . . . . 2489 PRO HG2 . 15777 1 692 . 1 1 66 66 PRO HG3 H 1 1.668 0.008 . 1 . . . . 2489 PRO HG3 . 15777 1 693 . 1 1 66 66 PRO C C 13 176.647 0.15 . 1 . . . . 2489 PRO C . 15777 1 694 . 1 1 66 66 PRO CA C 13 61.442 0.086 . 1 . . . . 2489 PRO CA . 15777 1 695 . 1 1 66 66 PRO CB C 13 32.715 0.057 . 1 . . . . 2489 PRO CB . 15777 1 696 . 1 1 66 66 PRO CD C 13 50.515 0.075 . 1 . . . . 2489 PRO CD . 15777 1 697 . 1 1 66 66 PRO CG C 13 27.015 0.054 . 1 . . . . 2489 PRO CG . 15777 1 698 . 1 1 67 67 MET H H 1 8.832 0.001 . 1 . . . . 2490 MET H . 15777 1 699 . 1 1 67 67 MET HA H 1 4.880 0.004 . 1 . . . . 2490 MET HA . 15777 1 700 . 1 1 67 67 MET HB2 H 1 2.290 0.008 . 2 . . . . 2490 MET HB2 . 15777 1 701 . 1 1 67 67 MET HB3 H 1 1.925 0.006 . 2 . . . . 2490 MET HB3 . 15777 1 702 . 1 1 67 67 MET HE1 H 1 2.052 0.015 . 1 . . . . 2490 MET QE . 15777 1 703 . 1 1 67 67 MET HE2 H 1 2.052 0.015 . 1 . . . . 2490 MET QE . 15777 1 704 . 1 1 67 67 MET HE3 H 1 2.052 0.015 . 1 . . . . 2490 MET QE . 15777 1 705 . 1 1 67 67 MET HG2 H 1 2.508 0.005 . 1 . . . . 2490 MET HG2 . 15777 1 706 . 1 1 67 67 MET HG3 H 1 2.742 0.004 . 1 . . . . 2490 MET HG3 . 15777 1 707 . 1 1 67 67 MET C C 13 174.121 0.15 . 1 . . . . 2490 MET C . 15777 1 708 . 1 1 67 67 MET CA C 13 53.848 0.037 . 1 . . . . 2490 MET CA . 15777 1 709 . 1 1 67 67 MET CB C 13 33.727 0.122 . 1 . . . . 2490 MET CB . 15777 1 710 . 1 1 67 67 MET CE C 13 17.734 0.15 . 1 . . . . 2490 MET CE . 15777 1 711 . 1 1 67 67 MET CG C 13 32.515 0.060 . 1 . . . . 2490 MET CG . 15777 1 712 . 1 1 67 67 MET N N 15 119.212 0.018 . 1 . . . . 2490 MET N . 15777 1 713 . 1 1 68 68 ALA H H 1 7.086 0.005 . 1 . . . . 2491 ALA H . 15777 1 714 . 1 1 68 68 ALA HA H 1 4.851 0.005 . 1 . . . . 2491 ALA HA . 15777 1 715 . 1 1 68 68 ALA HB1 H 1 1.361 0.003 . 1 . . . . 2491 ALA QB . 15777 1 716 . 1 1 68 68 ALA HB2 H 1 1.361 0.003 . 1 . . . . 2491 ALA QB . 15777 1 717 . 1 1 68 68 ALA HB3 H 1 1.361 0.003 . 1 . . . . 2491 ALA QB . 15777 1 718 . 1 1 68 68 ALA CA C 13 49.222 0.050 . 1 . . . . 2491 ALA CA . 15777 1 719 . 1 1 68 68 ALA CB C 13 20.600 0.050 . 1 . . . . 2491 ALA CB . 15777 1 720 . 1 1 68 68 ALA N N 15 120.363 0.040 . 1 . . . . 2491 ALA N . 15777 1 721 . 1 1 69 69 PRO HA H 1 4.263 0.004 . 1 . . . . 2492 PRO HA . 15777 1 722 . 1 1 69 69 PRO HB2 H 1 2.377 0.007 . 2 . . . . 2492 PRO HB2 . 15777 1 723 . 1 1 69 69 PRO HB3 H 1 2.202 0.012 . 2 . . . . 2492 PRO HB3 . 15777 1 724 . 1 1 69 69 PRO HD2 H 1 3.707 0.010 . 2 . . . . 2492 PRO HD2 . 15777 1 725 . 1 1 69 69 PRO HD3 H 1 3.391 0.005 . 2 . . . . 2492 PRO HD3 . 15777 1 726 . 1 1 69 69 PRO HG2 H 1 2.280 0.007 . 2 . . . . 2492 PRO HG2 . 15777 1 727 . 1 1 69 69 PRO HG3 H 1 2.024 0.011 . 2 . . . . 2492 PRO HG3 . 15777 1 728 . 1 1 69 69 PRO C C 13 174.370 0.15 . 1 . . . . 2492 PRO C . 15777 1 729 . 1 1 69 69 PRO CA C 13 62.555 0.075 . 1 . . . . 2492 PRO CA . 15777 1 730 . 1 1 69 69 PRO CB C 13 32.752 0.095 . 1 . . . . 2492 PRO CB . 15777 1 731 . 1 1 69 69 PRO CD C 13 50.542 0.071 . 1 . . . . 2492 PRO CD . 15777 1 732 . 1 1 69 69 PRO CG C 13 27.011 0.040 . 1 . . . . 2492 PRO CG . 15777 1 733 . 1 1 70 70 GLY H H 1 8.858 0.002 . 1 . . . . 2493 GLY H . 15777 1 734 . 1 1 70 70 GLY HA2 H 1 4.544 0.006 . 2 . . . . 2493 GLY HA2 . 15777 1 735 . 1 1 70 70 GLY HA3 H 1 3.849 0.011 . 2 . . . . 2493 GLY HA3 . 15777 1 736 . 1 1 70 70 GLY C C 13 172.182 0.15 . 1 . . . . 2493 GLY C . 15777 1 737 . 1 1 70 70 GLY CA C 13 44.356 0.069 . 1 . . . . 2493 GLY CA . 15777 1 738 . 1 1 70 70 GLY N N 15 106.539 0.016 . 1 . . . . 2493 GLY N . 15777 1 739 . 1 1 71 71 SER H H 1 8.490 0.002 . 1 . . . . 2494 SER H . 15777 1 740 . 1 1 71 71 SER HA H 1 5.280 0.001 . 1 . . . . 2494 SER HA . 15777 1 741 . 1 1 71 71 SER HB2 H 1 3.681 0.003 . 1 . . . . 2494 SER QB . 15777 1 742 . 1 1 71 71 SER HB3 H 1 3.681 0.003 . 1 . . . . 2494 SER QB . 15777 1 743 . 1 1 71 71 SER C C 13 173.512 0.15 . 1 . . . . 2494 SER C . 15777 1 744 . 1 1 71 71 SER CA C 13 57.674 0.053 . 1 . . . . 2494 SER CA . 15777 1 745 . 1 1 71 71 SER CB C 13 63.799 0.071 . 1 . . . . 2494 SER CB . 15777 1 746 . 1 1 71 71 SER N N 15 117.964 0.024 . 1 . . . . 2494 SER N . 15777 1 747 . 1 1 72 72 TYR H H 1 9.320 0.002 . 1 . . . . 2495 TYR H . 15777 1 748 . 1 1 72 72 TYR HA H 1 4.960 0.003 . 1 . . . . 2495 TYR HA . 15777 1 749 . 1 1 72 72 TYR HB2 H 1 2.754 0.004 . 1 . . . . 2495 TYR HB2 . 15777 1 750 . 1 1 72 72 TYR HB3 H 1 2.404 0.004 . 1 . . . . 2495 TYR HB3 . 15777 1 751 . 1 1 72 72 TYR HD1 H 1 6.984 0.017 . 3 . . . . 2495 TYR QD . 15777 1 752 . 1 1 72 72 TYR HD2 H 1 6.984 0.017 . 3 . . . . 2495 TYR QD . 15777 1 753 . 1 1 72 72 TYR HE1 H 1 6.825 0.005 . 3 . . . . 2495 TYR QE . 15777 1 754 . 1 1 72 72 TYR HE2 H 1 6.825 0.005 . 3 . . . . 2495 TYR QE . 15777 1 755 . 1 1 72 72 TYR C C 13 173.979 0.15 . 1 . . . . 2495 TYR C . 15777 1 756 . 1 1 72 72 TYR CA C 13 56.384 0.058 . 1 . . . . 2495 TYR CA . 15777 1 757 . 1 1 72 72 TYR CB C 13 40.247 0.066 . 1 . . . . 2495 TYR CB . 15777 1 758 . 1 1 72 72 TYR CD1 C 13 133.732 0.15 . 3 . . . . 2495 TYR CD1 . 15777 1 759 . 1 1 72 72 TYR CE1 C 13 116.671 0.15 . 3 . . . . 2495 TYR CE1 . 15777 1 760 . 1 1 72 72 TYR N N 15 126.442 0.039 . 1 . . . . 2495 TYR N . 15777 1 761 . 1 1 73 73 LEU H H 1 9.019 0.003 . 1 . . . . 2496 LEU H . 15777 1 762 . 1 1 73 73 LEU HA H 1 5.209 0.004 . 1 . . . . 2496 LEU HA . 15777 1 763 . 1 1 73 73 LEU HB2 H 1 1.641 0.010 . 2 . . . . 2496 LEU HB2 . 15777 1 764 . 1 1 73 73 LEU HB3 H 1 1.563 0.005 . 2 . . . . 2496 LEU HB3 . 15777 1 765 . 1 1 73 73 LEU HD11 H 1 0.823 0.004 . 2 . . . . 2496 LEU QD1 . 15777 1 766 . 1 1 73 73 LEU HD12 H 1 0.823 0.004 . 2 . . . . 2496 LEU QD1 . 15777 1 767 . 1 1 73 73 LEU HD13 H 1 0.823 0.004 . 2 . . . . 2496 LEU QD1 . 15777 1 768 . 1 1 73 73 LEU HD21 H 1 0.818 0.003 . 2 . . . . 2496 LEU QD2 . 15777 1 769 . 1 1 73 73 LEU HD22 H 1 0.818 0.003 . 2 . . . . 2496 LEU QD2 . 15777 1 770 . 1 1 73 73 LEU HD23 H 1 0.818 0.003 . 2 . . . . 2496 LEU QD2 . 15777 1 771 . 1 1 73 73 LEU HG H 1 1.490 0.011 . 1 . . . . 2496 LEU HG . 15777 1 772 . 1 1 73 73 LEU C C 13 177.015 0.15 . 1 . . . . 2496 LEU C . 15777 1 773 . 1 1 73 73 LEU CA C 13 53.393 0.080 . 1 . . . . 2496 LEU CA . 15777 1 774 . 1 1 73 73 LEU CB C 13 43.918 0.025 . 1 . . . . 2496 LEU CB . 15777 1 775 . 1 1 73 73 LEU CD1 C 13 24.946 0.078 . 2 . . . . 2496 LEU CD1 . 15777 1 776 . 1 1 73 73 LEU CD2 C 13 24.731 0.067 . 2 . . . . 2496 LEU CD2 . 15777 1 777 . 1 1 73 73 LEU CG C 13 27.988 0.017 . 1 . . . . 2496 LEU CG . 15777 1 778 . 1 1 73 73 LEU N N 15 125.439 0.047 . 1 . . . . 2496 LEU N . 15777 1 779 . 1 1 74 74 ILE H H 1 9.921 0.002 . 1 . . . . 2497 ILE H . 15777 1 780 . 1 1 74 74 ILE HA H 1 5.128 0.004 . 1 . . . . 2497 ILE HA . 15777 1 781 . 1 1 74 74 ILE HB H 1 1.896 0.004 . 1 . . . . 2497 ILE HB . 15777 1 782 . 1 1 74 74 ILE HD11 H 1 0.608 0.001 . 1 . . . . 2497 ILE QD1 . 15777 1 783 . 1 1 74 74 ILE HD12 H 1 0.608 0.001 . 1 . . . . 2497 ILE QD1 . 15777 1 784 . 1 1 74 74 ILE HD13 H 1 0.608 0.001 . 1 . . . . 2497 ILE QD1 . 15777 1 785 . 1 1 74 74 ILE HG12 H 1 1.468 0.003 . 2 . . . . 2497 ILE HG12 . 15777 1 786 . 1 1 74 74 ILE HG13 H 1 0.574 0.008 . 2 . . . . 2497 ILE HG13 . 15777 1 787 . 1 1 74 74 ILE HG21 H 1 0.530 0.004 . 1 . . . . 2497 ILE QG2 . 15777 1 788 . 1 1 74 74 ILE HG22 H 1 0.530 0.004 . 1 . . . . 2497 ILE QG2 . 15777 1 789 . 1 1 74 74 ILE HG23 H 1 0.530 0.004 . 1 . . . . 2497 ILE QG2 . 15777 1 790 . 1 1 74 74 ILE C C 13 175.730 0.15 . 1 . . . . 2497 ILE C . 15777 1 791 . 1 1 74 74 ILE CA C 13 60.930 0.046 . 1 . . . . 2497 ILE CA . 15777 1 792 . 1 1 74 74 ILE CB C 13 39.488 0.074 . 1 . . . . 2497 ILE CB . 15777 1 793 . 1 1 74 74 ILE CD1 C 13 14.879 0.099 . 1 . . . . 2497 ILE CD1 . 15777 1 794 . 1 1 74 74 ILE CG1 C 13 27.462 0.069 . 1 . . . . 2497 ILE CG1 . 15777 1 795 . 1 1 74 74 ILE CG2 C 13 16.991 0.127 . 1 . . . . 2497 ILE CG2 . 15777 1 796 . 1 1 74 74 ILE N N 15 132.185 0.059 . 1 . . . . 2497 ILE N . 15777 1 797 . 1 1 75 75 SER H H 1 9.284 0.002 . 1 . . . . 2498 SER H . 15777 1 798 . 1 1 75 75 SER HA H 1 5.111 0.003 . 1 . . . . 2498 SER HA . 15777 1 799 . 1 1 75 75 SER HB2 H 1 4.019 0.006 . 2 . . . . 2498 SER HB2 . 15777 1 800 . 1 1 75 75 SER HB3 H 1 3.446 0.003 . 2 . . . . 2498 SER HB3 . 15777 1 801 . 1 1 75 75 SER C C 13 173.449 0.15 . 1 . . . . 2498 SER C . 15777 1 802 . 1 1 75 75 SER CA C 13 58.260 0.062 . 1 . . . . 2498 SER CA . 15777 1 803 . 1 1 75 75 SER CB C 13 63.956 0.095 . 1 . . . . 2498 SER CB . 15777 1 804 . 1 1 75 75 SER N N 15 125.384 0.042 . 1 . . . . 2498 SER N . 15777 1 805 . 1 1 76 76 ILE H H 1 9.861 0.002 . 1 . . . . 2499 ILE H . 15777 1 806 . 1 1 76 76 ILE HA H 1 4.814 0.015 . 1 . . . . 2499 ILE HA . 15777 1 807 . 1 1 76 76 ILE HB H 1 1.836 0.005 . 1 . . . . 2499 ILE HB . 15777 1 808 . 1 1 76 76 ILE HD11 H 1 0.676 0.004 . 1 . . . . 2499 ILE QD1 . 15777 1 809 . 1 1 76 76 ILE HD12 H 1 0.676 0.004 . 1 . . . . 2499 ILE QD1 . 15777 1 810 . 1 1 76 76 ILE HD13 H 1 0.676 0.004 . 1 . . . . 2499 ILE QD1 . 15777 1 811 . 1 1 76 76 ILE HG12 H 1 1.717 0.005 . 2 . . . . 2499 ILE HG12 . 15777 1 812 . 1 1 76 76 ILE HG13 H 1 0.986 0.010 . 2 . . . . 2499 ILE HG13 . 15777 1 813 . 1 1 76 76 ILE HG21 H 1 0.894 0.004 . 1 . . . . 2499 ILE QG2 . 15777 1 814 . 1 1 76 76 ILE HG22 H 1 0.894 0.004 . 1 . . . . 2499 ILE QG2 . 15777 1 815 . 1 1 76 76 ILE HG23 H 1 0.894 0.004 . 1 . . . . 2499 ILE QG2 . 15777 1 816 . 1 1 76 76 ILE CA C 13 61.034 0.052 . 1 . . . . 2499 ILE CA . 15777 1 817 . 1 1 76 76 ILE CB C 13 40.387 0.091 . 1 . . . . 2499 ILE CB . 15777 1 818 . 1 1 76 76 ILE CD1 C 13 15.291 0.093 . 1 . . . . 2499 ILE CD1 . 15777 1 819 . 1 1 76 76 ILE CG1 C 13 27.277 0.132 . 1 . . . . 2499 ILE CG1 . 15777 1 820 . 1 1 76 76 ILE CG2 C 13 18.916 0.081 . 1 . . . . 2499 ILE CG2 . 15777 1 821 . 1 1 76 76 ILE N N 15 129.414 0.046 . 1 . . . . 2499 ILE N . 15777 1 822 . 1 1 77 77 LYS H H 1 8.827 0.004 . 1 . . . . 2500 LYS H . 15777 1 823 . 1 1 77 77 LYS HA H 1 5.254 0.002 . 1 . . . . 2500 LYS HA . 15777 1 824 . 1 1 77 77 LYS HB2 H 1 1.445 0.004 . 1 . . . . 2500 LYS HB2 . 15777 1 825 . 1 1 77 77 LYS HB3 H 1 1.762 0.006 . 1 . . . . 2500 LYS HB3 . 15777 1 826 . 1 1 77 77 LYS HD2 H 1 0.966 0.004 . 1 . . . . 2500 LYS HD2 . 15777 1 827 . 1 1 77 77 LYS HD3 H 1 1.180 0.005 . 1 . . . . 2500 LYS HD3 . 15777 1 828 . 1 1 77 77 LYS HE2 H 1 2.209 0.003 . 2 . . . . 2500 LYS HE2 . 15777 1 829 . 1 1 77 77 LYS HE3 H 1 1.891 0.003 . 2 . . . . 2500 LYS HE3 . 15777 1 830 . 1 1 77 77 LYS HG2 H 1 0.376 0.002 . 1 . . . . 2500 LYS HG2 . 15777 1 831 . 1 1 77 77 LYS HG3 H 1 0.768 0.009 . 1 . . . . 2500 LYS HG3 . 15777 1 832 . 1 1 77 77 LYS C C 13 175.245 0.15 . 1 . . . . 2500 LYS C . 15777 1 833 . 1 1 77 77 LYS CA C 13 54.388 0.140 . 1 . . . . 2500 LYS CA . 15777 1 834 . 1 1 77 77 LYS CB C 13 36.127 0.080 . 1 . . . . 2500 LYS CB . 15777 1 835 . 1 1 77 77 LYS CD C 13 29.683 0.036 . 1 . . . . 2500 LYS CD . 15777 1 836 . 1 1 77 77 LYS CE C 13 41.587 0.030 . 1 . . . . 2500 LYS CE . 15777 1 837 . 1 1 77 77 LYS CG C 13 24.965 0.039 . 1 . . . . 2500 LYS CG . 15777 1 838 . 1 1 77 77 LYS N N 15 126.922 0.046 . 1 . . . . 2500 LYS N . 15777 1 839 . 1 1 78 78 TYR H H 1 8.408 0.001 . 1 . . . . 2501 TYR H . 15777 1 840 . 1 1 78 78 TYR HA H 1 5.479 0.003 . 1 . . . . 2501 TYR HA . 15777 1 841 . 1 1 78 78 TYR HB2 H 1 2.604 0.012 . 1 . . . . 2501 TYR QB . 15777 1 842 . 1 1 78 78 TYR HB3 H 1 2.604 0.012 . 1 . . . . 2501 TYR QB . 15777 1 843 . 1 1 78 78 TYR HD1 H 1 6.685 0.001 . 3 . . . . 2501 TYR QD . 15777 1 844 . 1 1 78 78 TYR HD2 H 1 6.685 0.001 . 3 . . . . 2501 TYR QD . 15777 1 845 . 1 1 78 78 TYR HE1 H 1 6.619 0.015 . 3 . . . . 2501 TYR QE . 15777 1 846 . 1 1 78 78 TYR HE2 H 1 6.619 0.015 . 3 . . . . 2501 TYR QE . 15777 1 847 . 1 1 78 78 TYR C C 13 174.792 0.15 . 1 . . . . 2501 TYR C . 15777 1 848 . 1 1 78 78 TYR CA C 13 56.837 0.066 . 1 . . . . 2501 TYR CA . 15777 1 849 . 1 1 78 78 TYR CB C 13 44.008 0.060 . 1 . . . . 2501 TYR CB . 15777 1 850 . 1 1 78 78 TYR CD1 C 13 132.241 0.15 . 3 . . . . 2501 TYR CD1 . 15777 1 851 . 1 1 78 78 TYR CE1 C 13 117.962 0.15 . 3 . . . . 2501 TYR CE1 . 15777 1 852 . 1 1 78 78 TYR N N 15 122.282 0.033 . 1 . . . . 2501 TYR N . 15777 1 853 . 1 1 79 79 GLY H H 1 8.196 0.001 . 1 . . . . 2502 GLY H . 15777 1 854 . 1 1 79 79 GLY HA2 H 1 4.040 0.056 . 2 . . . . 2502 GLY HA2 . 15777 1 855 . 1 1 79 79 GLY HA3 H 1 3.465 0.078 . 2 . . . . 2502 GLY HA3 . 15777 1 856 . 1 1 79 79 GLY C C 13 173.932 0.15 . 1 . . . . 2502 GLY C . 15777 1 857 . 1 1 79 79 GLY CA C 13 45.741 0.034 . 1 . . . . 2502 GLY CA . 15777 1 858 . 1 1 79 79 GLY N N 15 113.451 0.018 . 1 . . . . 2502 GLY N . 15777 1 859 . 1 1 80 80 GLY H H 1 7.589 0.003 . 1 . . . . 2503 GLY H . 15777 1 860 . 1 1 80 80 GLY HA2 H 1 4.490 0.005 . 2 . . . . 2503 GLY HA2 . 15777 1 861 . 1 1 80 80 GLY HA3 H 1 3.555 0.004 . 2 . . . . 2503 GLY HA3 . 15777 1 862 . 1 1 80 80 GLY CA C 13 43.540 0.057 . 1 . . . . 2503 GLY CA . 15777 1 863 . 1 1 80 80 GLY N N 15 107.293 0.024 . 1 . . . . 2503 GLY N . 15777 1 864 . 1 1 81 81 PRO HA H 1 4.320 0.007 . 1 . . . . 2504 PRO HA . 15777 1 865 . 1 1 81 81 PRO HB2 H 1 2.028 0.009 . 2 . . . . 2504 PRO HB2 . 15777 1 866 . 1 1 81 81 PRO HB3 H 1 1.654 0.009 . 2 . . . . 2504 PRO HB3 . 15777 1 867 . 1 1 81 81 PRO HD2 H 1 3.207 0.004 . 2 . . . . 2504 PRO HD2 . 15777 1 868 . 1 1 81 81 PRO HD3 H 1 2.952 0.005 . 2 . . . . 2504 PRO HD3 . 15777 1 869 . 1 1 81 81 PRO HG2 H 1 1.760 0.005 . 2 . . . . 2504 PRO HG2 . 15777 1 870 . 1 1 81 81 PRO HG3 H 1 0.978 0.006 . 2 . . . . 2504 PRO HG3 . 15777 1 871 . 1 1 81 81 PRO C C 13 175.311 0.15 . 1 . . . . 2504 PRO C . 15777 1 872 . 1 1 81 81 PRO CA C 13 62.722 0.085 . 1 . . . . 2504 PRO CA . 15777 1 873 . 1 1 81 81 PRO CB C 13 29.297 0.072 . 1 . . . . 2504 PRO CB . 15777 1 874 . 1 1 81 81 PRO CD C 13 49.042 0.030 . 1 . . . . 2504 PRO CD . 15777 1 875 . 1 1 81 81 PRO CG C 13 26.068 0.068 . 1 . . . . 2504 PRO CG . 15777 1 876 . 1 1 82 82 TYR H H 1 7.778 0.002 . 1 . . . . 2505 TYR H . 15777 1 877 . 1 1 82 82 TYR HA H 1 4.791 0.016 . 1 . . . . 2505 TYR HA . 15777 1 878 . 1 1 82 82 TYR HB2 H 1 3.206 0.005 . 2 . . . . 2505 TYR HB2 . 15777 1 879 . 1 1 82 82 TYR HB3 H 1 2.973 0.005 . 2 . . . . 2505 TYR HB3 . 15777 1 880 . 1 1 82 82 TYR HD1 H 1 6.899 0.003 . 3 . . . . 2505 TYR QD . 15777 1 881 . 1 1 82 82 TYR HD2 H 1 6.899 0.003 . 3 . . . . 2505 TYR QD . 15777 1 882 . 1 1 82 82 TYR HE1 H 1 6.771 0.003 . 3 . . . . 2505 TYR QE . 15777 1 883 . 1 1 82 82 TYR HE2 H 1 6.771 0.003 . 3 . . . . 2505 TYR QE . 15777 1 884 . 1 1 82 82 TYR C C 13 175.086 0.15 . 1 . . . . 2505 TYR C . 15777 1 885 . 1 1 82 82 TYR CA C 13 56.111 0.168 . 1 . . . . 2505 TYR CA . 15777 1 886 . 1 1 82 82 TYR CB C 13 39.483 0.090 . 1 . . . . 2505 TYR CB . 15777 1 887 . 1 1 82 82 TYR CD1 C 13 133.923 0.15 . 3 . . . . 2505 TYR CD1 . 15777 1 888 . 1 1 82 82 TYR CE1 C 13 117.68 0.15 . 3 . . . . 2505 TYR CE1 . 15777 1 889 . 1 1 82 82 TYR N N 15 123.973 0.036 . 1 . . . . 2505 TYR N . 15777 1 890 . 1 1 83 83 HIS H H 1 8.625 0.002 . 1 . . . . 2506 HIS H . 15777 1 891 . 1 1 83 83 HIS HA H 1 4.583 0.013 . 1 . . . . 2506 HIS HA . 15777 1 892 . 1 1 83 83 HIS HB2 H 1 2.968 0.004 . 1 . . . . 2506 HIS HB2 . 15777 1 893 . 1 1 83 83 HIS HB3 H 1 3.263 0.005 . 1 . . . . 2506 HIS HB3 . 15777 1 894 . 1 1 83 83 HIS HD2 H 1 7.214 0.015 . 1 . . . . 2506 HIS HD2 . 15777 1 895 . 1 1 83 83 HIS HE1 H 1 7.560 0.015 . 1 . . . . 2506 HIS HE1 . 15777 1 896 . 1 1 83 83 HIS C C 13 178.161 0.15 . 1 . . . . 2506 HIS C . 15777 1 897 . 1 1 83 83 HIS CA C 13 58.241 0.058 . 1 . . . . 2506 HIS CA . 15777 1 898 . 1 1 83 83 HIS CB C 13 33.132 0.060 . 1 . . . . 2506 HIS CB . 15777 1 899 . 1 1 83 83 HIS CD2 C 13 118.097 0.15 . 1 . . . . 2506 HIS CD2 . 15777 1 900 . 1 1 83 83 HIS CE1 C 13 136.592 0.15 . 1 . . . . 2506 HIS CE1 . 15777 1 901 . 1 1 83 83 HIS N N 15 124.092 0.026 . 1 . . . . 2506 HIS N . 15777 1 902 . 1 1 84 84 ILE H H 1 8.327 0.001 . 1 . . . . 2507 ILE H . 15777 1 903 . 1 1 84 84 ILE HA H 1 4.553 0.012 . 1 . . . . 2507 ILE HA . 15777 1 904 . 1 1 84 84 ILE HB H 1 2.199 0.004 . 1 . . . . 2507 ILE HB . 15777 1 905 . 1 1 84 84 ILE HD11 H 1 0.927 0.003 . 1 . . . . 2507 ILE QD1 . 15777 1 906 . 1 1 84 84 ILE HD12 H 1 0.927 0.003 . 1 . . . . 2507 ILE QD1 . 15777 1 907 . 1 1 84 84 ILE HD13 H 1 0.927 0.003 . 1 . . . . 2507 ILE QD1 . 15777 1 908 . 1 1 84 84 ILE HG12 H 1 1.468 0.004 . 1 . . . . 2507 ILE QG1 . 15777 1 909 . 1 1 84 84 ILE HG13 H 1 1.468 0.004 . 1 . . . . 2507 ILE QG1 . 15777 1 910 . 1 1 84 84 ILE HG21 H 1 0.985 0.002 . 1 . . . . 2507 ILE QG2 . 15777 1 911 . 1 1 84 84 ILE HG22 H 1 0.985 0.002 . 1 . . . . 2507 ILE QG2 . 15777 1 912 . 1 1 84 84 ILE HG23 H 1 0.985 0.002 . 1 . . . . 2507 ILE QG2 . 15777 1 913 . 1 1 84 84 ILE C C 13 176.523 0.15 . 1 . . . . 2507 ILE C . 15777 1 914 . 1 1 84 84 ILE CA C 13 60.791 0.098 . 1 . . . . 2507 ILE CA . 15777 1 915 . 1 1 84 84 ILE CB C 13 39.162 0.080 . 1 . . . . 2507 ILE CB . 15777 1 916 . 1 1 84 84 ILE CD1 C 13 16.008 0.075 . 1 . . . . 2507 ILE CD1 . 15777 1 917 . 1 1 84 84 ILE CG1 C 13 25.168 0.086 . 1 . . . . 2507 ILE CG1 . 15777 1 918 . 1 1 84 84 ILE CG2 C 13 17.810 0.086 . 1 . . . . 2507 ILE CG2 . 15777 1 919 . 1 1 84 84 ILE N N 15 117.355 0.022 . 1 . . . . 2507 ILE N . 15777 1 920 . 1 1 85 85 GLY H H 1 9.130 0.002 . 1 . . . . 2508 GLY H . 15777 1 921 . 1 1 85 85 GLY HA2 H 1 3.883 0.006 . 2 . . . . 2508 GLY HA2 . 15777 1 922 . 1 1 85 85 GLY HA3 H 1 3.800 0.002 . 2 . . . . 2508 GLY HA3 . 15777 1 923 . 1 1 85 85 GLY C C 13 174.438 0.15 . 1 . . . . 2508 GLY C . 15777 1 924 . 1 1 85 85 GLY CA C 13 47.673 0.031 . 1 . . . . 2508 GLY CA . 15777 1 925 . 1 1 85 85 GLY N N 15 111.346 0.015 . 1 . . . . 2508 GLY N . 15777 1 926 . 1 1 86 86 GLY H H 1 8.236 0.001 . 1 . . . . 2509 GLY H . 15777 1 927 . 1 1 86 86 GLY HA2 H 1 3.893 0.097 . 2 . . . . 2509 GLY HA2 . 15777 1 928 . 1 1 86 86 GLY HA3 H 1 3.161 0.016 . 2 . . . . 2509 GLY HA3 . 15777 1 929 . 1 1 86 86 GLY C C 13 171.837 0.15 . 1 . . . . 2509 GLY C . 15777 1 930 . 1 1 86 86 GLY CA C 13 44.844 0.058 . 1 . . . . 2509 GLY CA . 15777 1 931 . 1 1 86 86 GLY N N 15 115.594 0.018 . 1 . . . . 2509 GLY N . 15777 1 932 . 1 1 87 87 SER H H 1 7.385 0.001 . 1 . . . . 2510 SER H . 15777 1 933 . 1 1 87 87 SER HA H 1 4.217 0.005 . 1 . . . . 2510 SER HA . 15777 1 934 . 1 1 87 87 SER HB2 H 1 4.519 0.006 . 2 . . . . 2510 SER HB2 . 15777 1 935 . 1 1 87 87 SER HB3 H 1 3.758 0.007 . 2 . . . . 2510 SER HB3 . 15777 1 936 . 1 1 87 87 SER CA C 13 54.783 0.070 . 1 . . . . 2510 SER CA . 15777 1 937 . 1 1 87 87 SER CB C 13 62.683 0.079 . 1 . . . . 2510 SER CB . 15777 1 938 . 1 1 87 87 SER N N 15 112.859 0.018 . 1 . . . . 2510 SER N . 15777 1 939 . 1 1 88 88 PRO HA H 1 5.532 0.003 . 1 . . . . 2511 PRO HA . 15777 1 940 . 1 1 88 88 PRO HB2 H 1 1.674 0.005 . 1 . . . . 2511 PRO HB2 . 15777 1 941 . 1 1 88 88 PRO HB3 H 1 2.236 0.011 . 1 . . . . 2511 PRO HB3 . 15777 1 942 . 1 1 88 88 PRO HD2 H 1 3.263 0.003 . 2 . . . . 2511 PRO HD2 . 15777 1 943 . 1 1 88 88 PRO HD3 H 1 2.439 0.004 . 2 . . . . 2511 PRO HD3 . 15777 1 944 . 1 1 88 88 PRO HG2 H 1 1.833 0.004 . 1 . . . . 2511 PRO QG . 15777 1 945 . 1 1 88 88 PRO HG3 H 1 1.833 0.004 . 1 . . . . 2511 PRO QG . 15777 1 946 . 1 1 88 88 PRO C C 13 175.870 0.15 . 1 . . . . 2511 PRO C . 15777 1 947 . 1 1 88 88 PRO CA C 13 62.379 0.087 . 1 . . . . 2511 PRO CA . 15777 1 948 . 1 1 88 88 PRO CB C 13 33.639 0.081 . 1 . . . . 2511 PRO CB . 15777 1 949 . 1 1 88 88 PRO CD C 13 49.952 0.041 . 1 . . . . 2511 PRO CD . 15777 1 950 . 1 1 88 88 PRO CG C 13 24.689 0.030 . 1 . . . . 2511 PRO CG . 15777 1 951 . 1 1 89 89 PHE H H 1 9.359 0.001 . 1 . . . . 2512 PHE H . 15777 1 952 . 1 1 89 89 PHE HA H 1 4.467 0.005 . 1 . . . . 2512 PHE HA . 15777 1 953 . 1 1 89 89 PHE HB2 H 1 2.806 0.007 . 1 . . . . 2512 PHE HB2 . 15777 1 954 . 1 1 89 89 PHE HB3 H 1 3.183 0.004 . 1 . . . . 2512 PHE HB3 . 15777 1 955 . 1 1 89 89 PHE HD1 H 1 7.226 0.003 . 3 . . . . 2512 PHE QD . 15777 1 956 . 1 1 89 89 PHE HD2 H 1 7.226 0.003 . 3 . . . . 2512 PHE QD . 15777 1 957 . 1 1 89 89 PHE HE1 H 1 7.148 0.003 . 3 . . . . 2512 PHE QE . 15777 1 958 . 1 1 89 89 PHE HE2 H 1 7.148 0.003 . 3 . . . . 2512 PHE QE . 15777 1 959 . 1 1 89 89 PHE HZ H 1 7.388 0.001 . 1 . . . . 2512 PHE HZ . 15777 1 960 . 1 1 89 89 PHE C C 13 175.152 0.15 . 1 . . . . 2512 PHE C . 15777 1 961 . 1 1 89 89 PHE CA C 13 57.401 0.062 . 1 . . . . 2512 PHE CA . 15777 1 962 . 1 1 89 89 PHE CB C 13 40.843 0.070 . 1 . . . . 2512 PHE CB . 15777 1 963 . 1 1 89 89 PHE CD1 C 13 132.522 0.033 . 3 . . . . 2512 PHE CD1 . 15777 1 964 . 1 1 89 89 PHE CE1 C 13 130.663 0.15 . 3 . . . . 2512 PHE CE1 . 15777 1 965 . 1 1 89 89 PHE CZ C 13 129.689 0.15 . 1 . . . . 2512 PHE CZ . 15777 1 966 . 1 1 89 89 PHE N N 15 124.789 0.043 . 1 . . . . 2512 PHE N . 15777 1 967 . 1 1 90 90 LYS H H 1 8.772 0.002 . 1 . . . . 2513 LYS H . 15777 1 968 . 1 1 90 90 LYS HA H 1 4.941 0.015 . 1 . . . . 2513 LYS HA . 15777 1 969 . 1 1 90 90 LYS HB2 H 1 1.847 0.015 . 2 . . . . 2513 LYS HB2 . 15777 1 970 . 1 1 90 90 LYS HB3 H 1 1.697 0.015 . 2 . . . . 2513 LYS HB3 . 15777 1 971 . 1 1 90 90 LYS HG2 H 1 1.251 0.015 . 1 . . . . 2513 LYS QG . 15777 1 972 . 1 1 90 90 LYS HG3 H 1 1.251 0.015 . 1 . . . . 2513 LYS QG . 15777 1 973 . 1 1 90 90 LYS C C 13 174.183 0.15 . 1 . . . . 2513 LYS C . 15777 1 974 . 1 1 90 90 LYS CA C 13 55.749 0.024 . 1 . . . . 2513 LYS CA . 15777 1 975 . 1 1 90 90 LYS CB C 13 32.817 0.051 . 1 . . . . 2513 LYS CB . 15777 1 976 . 1 1 90 90 LYS CD C 13 29.399 0.15 . 1 . . . . 2513 LYS CD . 15777 1 977 . 1 1 90 90 LYS CG C 13 25.223 0.054 . 1 . . . . 2513 LYS CG . 15777 1 978 . 1 1 90 90 LYS N N 15 125.133 0.031 . 1 . . . . 2513 LYS N . 15777 1 979 . 1 1 91 91 ALA H H 1 9.158 0.007 . 1 . . . . 2514 ALA H . 15777 1 980 . 1 1 91 91 ALA HA H 1 4.510 0.007 . 1 . . . . 2514 ALA HA . 15777 1 981 . 1 1 91 91 ALA HB1 H 1 1.133 0.003 . 1 . . . . 2514 ALA QB . 15777 1 982 . 1 1 91 91 ALA HB2 H 1 1.133 0.003 . 1 . . . . 2514 ALA QB . 15777 1 983 . 1 1 91 91 ALA HB3 H 1 1.133 0.003 . 1 . . . . 2514 ALA QB . 15777 1 984 . 1 1 91 91 ALA C C 13 176.561 0.15 . 1 . . . . 2514 ALA C . 15777 1 985 . 1 1 91 91 ALA CA C 13 50.528 0.051 . 1 . . . . 2514 ALA CA . 15777 1 986 . 1 1 91 91 ALA CB C 13 20.653 0.094 . 1 . . . . 2514 ALA CB . 15777 1 987 . 1 1 91 91 ALA N N 15 131.989 0.066 . 1 . . . . 2514 ALA N . 15777 1 988 . 1 1 92 92 LYS H H 1 8.186 0.002 . 1 . . . . 2515 LYS H . 15777 1 989 . 1 1 92 92 LYS HA H 1 4.926 0.015 . 1 . . . . 2515 LYS HA . 15777 1 990 . 1 1 92 92 LYS HB2 H 1 1.916 0.015 . 1 . . . . 2515 LYS QB . 15777 1 991 . 1 1 92 92 LYS HB3 H 1 1.916 0.015 . 1 . . . . 2515 LYS QB . 15777 1 992 . 1 1 92 92 LYS HD2 H 1 1.721 0.015 . 1 . . . . 2515 LYS QD . 15777 1 993 . 1 1 92 92 LYS HD3 H 1 1.721 0.015 . 1 . . . . 2515 LYS QD . 15777 1 994 . 1 1 92 92 LYS HE2 H 1 2.996 0.015 . 1 . . . . 2515 LYS QE . 15777 1 995 . 1 1 92 92 LYS HE3 H 1 2.996 0.015 . 1 . . . . 2515 LYS QE . 15777 1 996 . 1 1 92 92 LYS HG2 H 1 1.489 0.015 . 2 . . . . 2515 LYS HG2 . 15777 1 997 . 1 1 92 92 LYS HG3 H 1 1.327 0.015 . 2 . . . . 2515 LYS HG3 . 15777 1 998 . 1 1 92 92 LYS C C 13 175.177 0.15 . 1 . . . . 2515 LYS C . 15777 1 999 . 1 1 92 92 LYS CA C 13 55.725 0.030 . 1 . . . . 2515 LYS CA . 15777 1 1000 . 1 1 92 92 LYS CB C 13 33.765 0.044 . 1 . . . . 2515 LYS CB . 15777 1 1001 . 1 1 92 92 LYS CD C 13 29.179 0.056 . 1 . . . . 2515 LYS CD . 15777 1 1002 . 1 1 92 92 LYS CE C 13 42.149 0.15 . 1 . . . . 2515 LYS CE . 15777 1 1003 . 1 1 92 92 LYS CG C 13 24.970 0.002 . 1 . . . . 2515 LYS CG . 15777 1 1004 . 1 1 92 92 LYS N N 15 124.887 0.033 . 1 . . . . 2515 LYS N . 15777 1 1005 . 1 1 93 93 VAL H H 1 9.362 0.001 . 1 . . . . 2516 VAL H . 15777 1 1006 . 1 1 93 93 VAL HA H 1 5.161 0.011 . 1 . . . . 2516 VAL HA . 15777 1 1007 . 1 1 93 93 VAL HB H 1 2.336 0.003 . 1 . . . . 2516 VAL HB . 15777 1 1008 . 1 1 93 93 VAL HG11 H 1 0.803 0.007 . 2 . . . . 2516 VAL QG1 . 15777 1 1009 . 1 1 93 93 VAL HG12 H 1 0.803 0.007 . 2 . . . . 2516 VAL QG1 . 15777 1 1010 . 1 1 93 93 VAL HG13 H 1 0.803 0.007 . 2 . . . . 2516 VAL QG1 . 15777 1 1011 . 1 1 93 93 VAL HG21 H 1 0.657 0.003 . 2 . . . . 2516 VAL QG2 . 15777 1 1012 . 1 1 93 93 VAL HG22 H 1 0.657 0.003 . 2 . . . . 2516 VAL QG2 . 15777 1 1013 . 1 1 93 93 VAL HG23 H 1 0.657 0.003 . 2 . . . . 2516 VAL QG2 . 15777 1 1014 . 1 1 93 93 VAL C C 13 176.988 0.15 . 1 . . . . 2516 VAL C . 15777 1 1015 . 1 1 93 93 VAL CA C 13 60.523 0.060 . 1 . . . . 2516 VAL CA . 15777 1 1016 . 1 1 93 93 VAL CB C 13 33.291 0.110 . 1 . . . . 2516 VAL CB . 15777 1 1017 . 1 1 93 93 VAL CG1 C 13 22.672 0.054 . 2 . . . . 2516 VAL CG1 . 15777 1 1018 . 1 1 93 93 VAL CG2 C 13 21.804 0.034 . 2 . . . . 2516 VAL CG2 . 15777 1 1019 . 1 1 93 93 VAL N N 15 129.943 0.036 . 1 . . . . 2516 VAL N . 15777 1 1020 . 1 1 94 94 THR H H 1 8.614 0.003 . 1 . . . . 2517 THR H . 15777 1 1021 . 1 1 94 94 THR HA H 1 4.902 0.003 . 1 . . . . 2517 THR HA . 15777 1 1022 . 1 1 94 94 THR HB H 1 4.464 0.007 . 1 . . . . 2517 THR HB . 15777 1 1023 . 1 1 94 94 THR HG21 H 1 1.240 0.003 . 1 . . . . 2517 THR QG2 . 15777 1 1024 . 1 1 94 94 THR HG22 H 1 1.240 0.003 . 1 . . . . 2517 THR QG2 . 15777 1 1025 . 1 1 94 94 THR HG23 H 1 1.240 0.003 . 1 . . . . 2517 THR QG2 . 15777 1 1026 . 1 1 94 94 THR C C 13 172.759 0.15 . 1 . . . . 2517 THR C . 15777 1 1027 . 1 1 94 94 THR CA C 13 60.121 0.064 . 1 . . . . 2517 THR CA . 15777 1 1028 . 1 1 94 94 THR CB C 13 71.072 0.095 . 1 . . . . 2517 THR CB . 15777 1 1029 . 1 1 94 94 THR CG2 C 13 21.428 0.074 . 1 . . . . 2517 THR CG2 . 15777 1 1030 . 1 1 94 94 THR N N 15 122.032 0.040 . 1 . . . . 2517 THR N . 15777 1 1031 . 1 1 95 95 GLY H H 1 8.280 0.003 . 1 . . . . 2518 GLY H . 15777 1 1032 . 1 1 95 95 GLY HA2 H 1 3.852 0.015 . 1 . . . . 2518 GLY HA2 . 15777 1 1033 . 1 1 95 95 GLY HA3 H 1 4.846 0.015 . 1 . . . . 2518 GLY HA3 . 15777 1 1034 . 1 1 95 95 GLY CA C 13 43.955 0.027 . 1 . . . . 2518 GLY CA . 15777 1 1035 . 1 1 95 95 GLY N N 15 107.949 0.016 . 1 . . . . 2518 GLY N . 15777 1 1036 . 1 1 96 96 PRO HA H 1 4.449 0.005 . 1 . . . . 2519 PRO HA . 15777 1 1037 . 1 1 96 96 PRO HB2 H 1 2.194 0.014 . 2 . . . . 2519 PRO HB2 . 15777 1 1038 . 1 1 96 96 PRO HB3 H 1 1.777 0.012 . 2 . . . . 2519 PRO HB3 . 15777 1 1039 . 1 1 96 96 PRO HD2 H 1 3.651 0.006 . 1 . . . . 2519 PRO HD2 . 15777 1 1040 . 1 1 96 96 PRO HD3 H 1 3.461 0.004 . 1 . . . . 2519 PRO HD3 . 15777 1 1041 . 1 1 96 96 PRO HG2 H 1 1.977 0.009 . 2 . . . . 2519 PRO HG2 . 15777 1 1042 . 1 1 96 96 PRO HG3 H 1 1.845 0.012 . 2 . . . . 2519 PRO HG3 . 15777 1 1043 . 1 1 96 96 PRO C C 13 176.892 0.15 . 1 . . . . 2519 PRO C . 15777 1 1044 . 1 1 96 96 PRO CA C 13 62.062 0.092 . 1 . . . . 2519 PRO CA . 15777 1 1045 . 1 1 96 96 PRO CB C 13 32.286 0.065 . 1 . . . . 2519 PRO CB . 15777 1 1046 . 1 1 96 96 PRO CD C 13 49.423 0.040 . 1 . . . . 2519 PRO CD . 15777 1 1047 . 1 1 96 96 PRO CG C 13 27.037 0.045 . 1 . . . . 2519 PRO CG . 15777 1 1048 . 1 1 97 97 ARG H H 1 8.651 0.003 . 1 . . . . 2520 ARG H . 15777 1 1049 . 1 1 97 97 ARG HA H 1 4.348 0.007 . 1 . . . . 2520 ARG HA . 15777 1 1050 . 1 1 97 97 ARG HB2 H 1 1.986 0.014 . 2 . . . . 2520 ARG HB2 . 15777 1 1051 . 1 1 97 97 ARG HB3 H 1 1.815 0.006 . 2 . . . . 2520 ARG HB3 . 15777 1 1052 . 1 1 97 97 ARG HD2 H 1 3.312 0.006 . 1 . . . . 2520 ARG QD . 15777 1 1053 . 1 1 97 97 ARG HD3 H 1 3.312 0.006 . 1 . . . . 2520 ARG QD . 15777 1 1054 . 1 1 97 97 ARG HG2 H 1 1.777 0.009 . 2 . . . . 2520 ARG HG2 . 15777 1 1055 . 1 1 97 97 ARG HG3 H 1 1.703 0.013 . 2 . . . . 2520 ARG HG3 . 15777 1 1056 . 1 1 97 97 ARG C C 13 176.236 0.15 . 1 . . . . 2520 ARG C . 15777 1 1057 . 1 1 97 97 ARG CA C 13 57.587 0.054 . 1 . . . . 2520 ARG CA . 15777 1 1058 . 1 1 97 97 ARG CB C 13 30.472 0.134 . 1 . . . . 2520 ARG CB . 15777 1 1059 . 1 1 97 97 ARG CD C 13 43.524 0.087 . 1 . . . . 2520 ARG CD . 15777 1 1060 . 1 1 97 97 ARG CG C 13 28.690 0.033 . 1 . . . . 2520 ARG CG . 15777 1 1061 . 1 1 97 97 ARG N N 15 120.781 0.027 . 1 . . . . 2520 ARG N . 15777 1 1062 . 1 1 98 98 LEU H H 1 8.545 0.002 . 1 . . . . 2521 LEU H . 15777 1 1063 . 1 1 98 98 LEU HA H 1 4.577 0.005 . 1 . . . . 2521 LEU HA . 15777 1 1064 . 1 1 98 98 LEU HB2 H 1 1.839 0.004 . 2 . . . . 2521 LEU HB2 . 15777 1 1065 . 1 1 98 98 LEU HB3 H 1 1.695 0.010 . 2 . . . . 2521 LEU HB3 . 15777 1 1066 . 1 1 98 98 LEU HD11 H 1 0.788 0.004 . 2 . . . . 2521 LEU QD1 . 15777 1 1067 . 1 1 98 98 LEU HD12 H 1 0.788 0.004 . 2 . . . . 2521 LEU QD1 . 15777 1 1068 . 1 1 98 98 LEU HD13 H 1 0.788 0.004 . 2 . . . . 2521 LEU QD1 . 15777 1 1069 . 1 1 98 98 LEU HD21 H 1 0.784 0.003 . 2 . . . . 2521 LEU QD2 . 15777 1 1070 . 1 1 98 98 LEU HD22 H 1 0.784 0.003 . 2 . . . . 2521 LEU QD2 . 15777 1 1071 . 1 1 98 98 LEU HD23 H 1 0.784 0.003 . 2 . . . . 2521 LEU QD2 . 15777 1 1072 . 1 1 98 98 LEU HG H 1 0.883 0.004 . 1 . . . . 2521 LEU HG . 15777 1 1073 . 1 1 98 98 LEU C C 13 175.880 0.15 . 1 . . . . 2521 LEU C . 15777 1 1074 . 1 1 98 98 LEU CA C 13 55.068 0.072 . 1 . . . . 2521 LEU CA . 15777 1 1075 . 1 1 98 98 LEU CB C 13 43.082 0.075 . 1 . . . . 2521 LEU CB . 15777 1 1076 . 1 1 98 98 LEU CD1 C 13 25.342 0.002 . 2 . . . . 2521 LEU CD1 . 15777 1 1077 . 1 1 98 98 LEU CD2 C 13 22.471 0.015 . 2 . . . . 2521 LEU CD2 . 15777 1 1078 . 1 1 98 98 LEU CG C 13 26.309 0.124 . 1 . . . . 2521 LEU CG . 15777 1 1079 . 1 1 98 98 LEU N N 15 128.715 0.040 . 1 . . . . 2521 LEU N . 15777 1 1080 . 1 1 99 99 VAL H H 1 7.307 0.002 . 1 . . . . 2522 VAL H . 15777 1 1081 . 1 1 99 99 VAL HA H 1 4.109 0.004 . 1 . . . . 2522 VAL HA . 15777 1 1082 . 1 1 99 99 VAL HB H 1 2.087 0.004 . 1 . . . . 2522 VAL HB . 15777 1 1083 . 1 1 99 99 VAL HG11 H 1 0.905 0.004 . 2 . . . . 2522 VAL QG1 . 15777 1 1084 . 1 1 99 99 VAL HG12 H 1 0.905 0.004 . 2 . . . . 2522 VAL QG1 . 15777 1 1085 . 1 1 99 99 VAL HG13 H 1 0.905 0.004 . 2 . . . . 2522 VAL QG1 . 15777 1 1086 . 1 1 99 99 VAL HG21 H 1 0.906 0.003 . 2 . . . . 2522 VAL QG2 . 15777 1 1087 . 1 1 99 99 VAL HG22 H 1 0.906 0.003 . 2 . . . . 2522 VAL QG2 . 15777 1 1088 . 1 1 99 99 VAL HG23 H 1 0.906 0.003 . 2 . . . . 2522 VAL QG2 . 15777 1 1089 . 1 1 99 99 VAL CA C 13 62.807 0.061 . 1 . . . . 2522 VAL CA . 15777 1 1090 . 1 1 99 99 VAL CB C 13 34.180 0.062 . 1 . . . . 2522 VAL CB . 15777 1 1091 . 1 1 99 99 VAL CG1 C 13 21.699 0.012 . 2 . . . . 2522 VAL CG1 . 15777 1 1092 . 1 1 99 99 VAL CG2 C 13 21.729 0.042 . 2 . . . . 2522 VAL CG2 . 15777 1 1093 . 1 1 99 99 VAL N N 15 122.758 0.036 . 1 . . . . 2522 VAL N . 15777 1 stop_ save_