################################### # 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 52801 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SRSF6_RRM1_Assignment _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52801 1 2 '3D HNCACB' . . . 52801 1 3 '3D CBCACONH' . . . 52801 1 4 '2D 1H-13C HSQC aliphatic' . . . 52801 1 5 '3D HCCH-TOCSY' . . . 52801 1 6 '2D 1H-15N HSQC' . . . 52801 1 7 '3D HNCO' . . . 52801 1 8 '3D HNCACO' . . . 52801 1 9 '2D 1H-13C HSQC aromatic' . . . 52801 1 10 '3D HBHANH' . . . 52801 1 11 '2D 1H-15N HSQC' . . . 52801 1 12 '2D 1H-13C HSQC aromatic' . . . 52801 1 13 '3D 1H-13C NOESY aromatic' . . . 52801 1 14 '2D 1H-15N HSQC' . . . 52801 1 15 '2D 1H-13C HSQC aliphatic' . . . 52801 1 16 '3D 1H-13C NOESY aliphatic' . . . 52801 1 17 '2D 1H-13C HSQC aliphatic' . . . 52801 1 18 '3D 1H-13C NOESY aliphatic' . . . 52801 1 21 '3D 1H-15N NOESY' . . . 52801 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 . . 52801 1 2 $software_2 . . 52801 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 2 2 ALA HA H 1 4.505 0.000 . 1 . . . . . -2 ALA HA . 52801 1 2 . 1 . 1 2 2 ALA HB1 H 1 2.006 0.000 . 1 . . . . . -2 ALA HB1 . 52801 1 3 . 1 . 1 2 2 ALA HB2 H 1 2.006 0.000 . 1 . . . . . -2 ALA HB2 . 52801 1 4 . 1 . 1 2 2 ALA HB3 H 1 2.006 0.000 . 1 . . . . . -2 ALA HB3 . 52801 1 5 . 1 . 1 2 2 ALA C C 13 177.587 0.000 . 1 . . . . . -2 ALA C . 52801 1 6 . 1 . 1 2 2 ALA CA C 13 52.483 0.013 . 1 . . . . . -2 ALA CA . 52801 1 7 . 1 . 1 2 2 ALA CB C 13 19.145 0.173 . 1 . . . . . -2 ALA CB . 52801 1 8 . 1 . 1 3 3 MET H H 1 8.409 0.002 . 1 . . . . . -1 MET H . 52801 1 9 . 1 . 1 3 3 MET HA H 1 4.419 0.001 . 1 . . . . . -1 MET HA . 52801 1 10 . 1 . 1 3 3 MET HB2 H 1 1.675 0.323 . 2 . . . . . -1 MET HB2 . 52801 1 11 . 1 . 1 3 3 MET HB3 H 1 1.719 0.000 . 2 . . . . . -1 MET HB3 . 52801 1 12 . 1 . 1 3 3 MET C C 13 175.476 0.000 . 1 . . . . . -1 MET C . 52801 1 13 . 1 . 1 3 3 MET CA C 13 55.113 0.129 . 1 . . . . . -1 MET CA . 52801 1 14 . 1 . 1 3 3 MET CB C 13 32.977 0.023 . 1 . . . . . -1 MET CB . 52801 1 15 . 1 . 1 3 3 MET N N 15 119.792 0.036 . 1 . . . . . -1 MET N . 52801 1 16 . 1 . 1 4 4 ALA H H 1 8.369 0.002 . 1 . . . . . 0 ALA H . 52801 1 17 . 1 . 1 4 4 ALA HA H 1 4.334 0.011 . 1 . . . . . 0 ALA HA . 52801 1 18 . 1 . 1 4 4 ALA HB1 H 1 1.367 0.023 . 1 . . . . . 0 ALA HB1 . 52801 1 19 . 1 . 1 4 4 ALA HB2 H 1 1.367 0.023 . 1 . . . . . 0 ALA HB2 . 52801 1 20 . 1 . 1 4 4 ALA HB3 H 1 1.367 0.023 . 1 . . . . . 0 ALA HB3 . 52801 1 21 . 1 . 1 4 4 ALA C C 13 177.051 0.000 . 1 . . . . . 0 ALA C . 52801 1 22 . 1 . 1 4 4 ALA CA C 13 52.094 0.135 . 1 . . . . . 0 ALA CA . 52801 1 23 . 1 . 1 4 4 ALA CB C 13 18.913 0.091 . 1 . . . . . 0 ALA CB . 52801 1 24 . 1 . 1 4 4 ALA N N 15 126.1 0.026 . 1 . . . . . 0 ALA N . 52801 1 25 . 1 . 1 5 5 MET H H 1 8.439 0.003 . 1 . . . . . 1 MET H . 52801 1 26 . 1 . 1 5 5 MET HA H 1 4.324 0.008 . 1 . . . . . 1 MET HA . 52801 1 27 . 1 . 1 5 5 MET HB2 H 1 1.973 0.025 . 2 . . . . . 1 MET HB2 . 52801 1 28 . 1 . 1 5 5 MET HB3 H 1 2.03 0.000 . 2 . . . . . 1 MET HB3 . 52801 1 29 . 1 . 1 5 5 MET CA C 13 52.663 0.202 . 1 . . . . . 1 MET CA . 52801 1 30 . 1 . 1 5 5 MET CB C 13 31.957 0.105 . 1 . . . . . 1 MET CB . 52801 1 31 . 1 . 1 5 5 MET N N 15 121.627 0.056 . 1 . . . . . 1 MET N . 52801 1 32 . 1 . 1 6 6 PRO HA H 1 4.537 0.006 . 1 . . . . . 2 PRO HA . 52801 1 33 . 1 . 1 6 6 PRO HB2 H 1 2.338 0.017 . 2 . . . . . 2 PRO HB2 . 52801 1 34 . 1 . 1 6 6 PRO HB3 H 1 2.384 0.000 . 2 . . . . . 2 PRO HB3 . 52801 1 35 . 1 . 1 6 6 PRO HG2 H 1 2.018 0.008 . 2 . . . . . 2 PRO HG2 . 52801 1 36 . 1 . 1 6 6 PRO HG3 H 1 1.961 0.016 . 2 . . . . . 2 PRO HG3 . 52801 1 37 . 1 . 1 6 6 PRO HD2 H 1 3.956 0.004 . 2 . . . . . 2 PRO HD2 . 52801 1 38 . 1 . 1 6 6 PRO HD3 H 1 3.76 0.004 . 2 . . . . . 2 PRO HD3 . 52801 1 39 . 1 . 1 6 6 PRO C C 13 174.982 0.000 . 1 . . . . . 2 PRO C . 52801 1 40 . 1 . 1 6 6 PRO CA C 13 63.104 0.079 . 1 . . . . . 2 PRO CA . 52801 1 41 . 1 . 1 6 6 PRO CB C 13 31.193 0.003 . 1 . . . . . 2 PRO CB . 52801 1 42 . 1 . 1 6 6 PRO CG C 13 27.045 0.021 . 1 . . . . . 2 PRO CG . 52801 1 43 . 1 . 1 6 6 PRO CD C 13 49.975 0.004 . 1 . . . . . 2 PRO CD . 52801 1 44 . 1 . 1 7 7 ARG H H 1 8.137 0.003 . 1 . . . . . 3 ARG H . 52801 1 45 . 1 . 1 7 7 ARG HA H 1 5.359 0.007 . 1 . . . . . 3 ARG HA . 52801 1 46 . 1 . 1 7 7 ARG HB2 H 1 1.85 0.026 . 2 . . . . . 3 ARG HB2 . 52801 1 47 . 1 . 1 7 7 ARG HB3 H 1 1.814 0.015 . 2 . . . . . 3 ARG HB3 . 52801 1 48 . 1 . 1 7 7 ARG HG2 H 1 1.698 0.006 . 2 . . . . . 3 ARG HG2 . 52801 1 49 . 1 . 1 7 7 ARG HG3 H 1 1.506 0.006 . 2 . . . . . 3 ARG HG3 . 52801 1 50 . 1 . 1 7 7 ARG HD2 H 1 3.114 0.006 . 2 . . . . . 3 ARG HD2 . 52801 1 51 . 1 . 1 7 7 ARG HD3 H 1 2.986 0.005 . 2 . . . . . 3 ARG HD3 . 52801 1 52 . 1 . 1 7 7 ARG C C 13 175.567 0.000 . 1 . . . . . 3 ARG C . 52801 1 53 . 1 . 1 7 7 ARG CA C 13 55.118 0.129 . 1 . . . . . 3 ARG CA . 52801 1 54 . 1 . 1 7 7 ARG CB C 13 32.988 0.088 . 1 . . . . . 3 ARG CB . 52801 1 55 . 1 . 1 7 7 ARG CG C 13 28.045 0.092 . 1 . . . . . 3 ARG CG . 52801 1 56 . 1 . 1 7 7 ARG CD C 13 43.074 0.027 . 1 . . . . . 3 ARG CD . 52801 1 57 . 1 . 1 7 7 ARG N N 15 122.834 0.062 . 1 . . . . . 3 ARG N . 52801 1 58 . 1 . 1 8 8 VAL H H 1 9.586 0.001 . 1 . . . . . 4 VAL H . 52801 1 59 . 1 . 1 8 8 VAL HA H 1 4.695 0.007 . 1 . . . . . 4 VAL HA . 52801 1 60 . 1 . 1 8 8 VAL HB H 1 1.996 0.031 . 1 . . . . . 4 VAL HB . 52801 1 61 . 1 . 1 8 8 VAL HG11 H 1 0.868 0.005 . 2 . . . . . 4 VAL HG11 . 52801 1 62 . 1 . 1 8 8 VAL HG12 H 1 0.868 0.005 . 2 . . . . . 4 VAL HG12 . 52801 1 63 . 1 . 1 8 8 VAL HG13 H 1 0.868 0.005 . 2 . . . . . 4 VAL HG13 . 52801 1 64 . 1 . 1 8 8 VAL HG21 H 1 0.855 0.007 . 2 . . . . . 4 VAL HG21 . 52801 1 65 . 1 . 1 8 8 VAL HG22 H 1 0.855 0.007 . 2 . . . . . 4 VAL HG22 . 52801 1 66 . 1 . 1 8 8 VAL HG23 H 1 0.855 0.007 . 2 . . . . . 4 VAL HG23 . 52801 1 67 . 1 . 1 8 8 VAL C C 13 173.666 0.000 . 1 . . . . . 4 VAL C . 52801 1 68 . 1 . 1 8 8 VAL CA C 13 61.077 0.114 . 1 . . . . . 4 VAL CA . 52801 1 69 . 1 . 1 8 8 VAL CB C 13 35.717 0.102 . 1 . . . . . 4 VAL CB . 52801 1 70 . 1 . 1 8 8 VAL CG1 C 13 21.842 0.032 . 2 . . . . . 4 VAL CG1 . 52801 1 71 . 1 . 1 8 8 VAL CG2 C 13 22.368 0.088 . 2 . . . . . 4 VAL CG2 . 52801 1 72 . 1 . 1 8 8 VAL N N 15 126.606 0.012 . 1 . . . . . 4 VAL N . 52801 1 73 . 1 . 1 9 9 TYR H H 1 9.434 0.003 . 1 . . . . . 5 TYR H . 52801 1 74 . 1 . 1 9 9 TYR HA H 1 4.976 0.007 . 1 . . . . . 5 TYR HA . 52801 1 75 . 1 . 1 9 9 TYR HB2 H 1 3.065 0.015 . 2 . . . . . 5 TYR HB2 . 52801 1 76 . 1 . 1 9 9 TYR HB3 H 1 2.766 0.009 . 2 . . . . . 5 TYR HB3 . 52801 1 77 . 1 . 1 9 9 TYR HD1 H 1 6.734 0.000 . 1 . . . . . 5 TYR HD1 . 52801 1 78 . 1 . 1 9 9 TYR HD2 H 1 6.734 0.000 . 1 . . . . . 5 TYR HD2 . 52801 1 79 . 1 . 1 9 9 TYR HE1 H 1 6.354 0.001 . 1 . . . . . 5 TYR HE1 . 52801 1 80 . 1 . 1 9 9 TYR HE2 H 1 6.354 0.001 . 1 . . . . . 5 TYR HE2 . 52801 1 81 . 1 . 1 9 9 TYR C C 13 172.9 0.000 . 1 . . . . . 5 TYR C . 52801 1 82 . 1 . 1 9 9 TYR CA C 13 56.244 0.158 . 1 . . . . . 5 TYR CA . 52801 1 83 . 1 . 1 9 9 TYR CB C 13 40.689 0.112 . 1 . . . . . 5 TYR CB . 52801 1 84 . 1 . 1 9 9 TYR CD1 C 13 133.389 0.000 . 1 . . . . . 5 TYR CD1 . 52801 1 85 . 1 . 1 9 9 TYR CD2 C 13 133.389 0.000 . 1 . . . . . 5 TYR CD2 . 52801 1 86 . 1 . 1 9 9 TYR CE1 C 13 117.69 0.005 . 1 . . . . . 5 TYR CE1 . 52801 1 87 . 1 . 1 9 9 TYR CE2 C 13 117.686 0.000 . 1 . . . . . 5 TYR CE2 . 52801 1 88 . 1 . 1 9 9 TYR N N 15 128.485 0.051 . 1 . . . . . 5 TYR N . 52801 1 89 . 1 . 1 10 10 ILE H H 1 8.217 0.003 . 1 . . . . . 6 ILE H . 52801 1 90 . 1 . 1 10 10 ILE HA H 1 5.475 0.009 . 1 . . . . . 6 ILE HA . 52801 1 91 . 1 . 1 10 10 ILE HB H 1 1.467 0.023 . 1 . . . . . 6 ILE HB . 52801 1 92 . 1 . 1 10 10 ILE HG12 H 1 1.625 0.007 . 2 . . . . . 6 ILE HG12 . 52801 1 93 . 1 . 1 10 10 ILE HG13 H 1 0.847 0.007 . 2 . . . . . 6 ILE HG13 . 52801 1 94 . 1 . 1 10 10 ILE HG21 H 1 0.755 0.006 . 1 . . . . . 6 ILE HG21 . 52801 1 95 . 1 . 1 10 10 ILE HG22 H 1 0.755 0.006 . 1 . . . . . 6 ILE HG22 . 52801 1 96 . 1 . 1 10 10 ILE HG23 H 1 0.755 0.006 . 1 . . . . . 6 ILE HG23 . 52801 1 97 . 1 . 1 10 10 ILE HD11 H 1 0.63 0.007 . 1 . . . . . 6 ILE HD11 . 52801 1 98 . 1 . 1 10 10 ILE HD12 H 1 0.63 0.007 . 1 . . . . . 6 ILE HD12 . 52801 1 99 . 1 . 1 10 10 ILE HD13 H 1 0.63 0.007 . 1 . . . . . 6 ILE HD13 . 52801 1 100 . 1 . 1 10 10 ILE C C 13 173.24 0.000 . 1 . . . . . 6 ILE C . 52801 1 101 . 1 . 1 10 10 ILE CA C 13 57.239 0.167 . 1 . . . . . 6 ILE CA . 52801 1 102 . 1 . 1 10 10 ILE CB C 13 40.902 0.123 . 1 . . . . . 6 ILE CB . 52801 1 103 . 1 . 1 10 10 ILE CG1 C 13 27.578 0.090 . 1 . . . . . 6 ILE CG1 . 52801 1 104 . 1 . 1 10 10 ILE CG2 C 13 15.824 0.002 . 1 . . . . . 6 ILE CG2 . 52801 1 105 . 1 . 1 10 10 ILE CD1 C 13 15.464 0.007 . 1 . . . . . 6 ILE CD1 . 52801 1 106 . 1 . 1 10 10 ILE N N 15 125.603 0.051 . 1 . . . . . 6 ILE N . 52801 1 107 . 1 . 1 11 11 GLY H H 1 8.988 0.003 . 1 . . . . . 7 GLY H . 52801 1 108 . 1 . 1 11 11 GLY HA2 H 1 3.518 0.008 . 2 . . . . . 7 GLY HA2 . 52801 1 109 . 1 . 1 11 11 GLY HA3 H 1 4.542 0.006 . 2 . . . . . 7 GLY HA3 . 52801 1 110 . 1 . 1 11 11 GLY C C 13 172.722 0.000 . 1 . . . . . 7 GLY C . 52801 1 111 . 1 . 1 11 11 GLY CA C 13 42.888 0.071 . 1 . . . . . 7 GLY CA . 52801 1 112 . 1 . 1 11 11 GLY N N 15 111.928 0.053 . 1 . . . . . 7 GLY N . 52801 1 113 . 1 . 1 12 12 ARG H H 1 8.206 0.002 . 1 . . . . . 8 ARG H . 52801 1 114 . 1 . 1 12 12 ARG HA H 1 3.78 0.008 . 1 . . . . . 8 ARG HA . 52801 1 115 . 1 . 1 12 12 ARG HB2 H 1 2.167 0.030 . 2 . . . . . 8 ARG HB2 . 52801 1 116 . 1 . 1 12 12 ARG HB3 H 1 2.172 0.015 . 2 . . . . . 8 ARG HB3 . 52801 1 117 . 1 . 1 12 12 ARG HG2 H 1 1.596 0.014 . 2 . . . . . 8 ARG HG2 . 52801 1 118 . 1 . 1 12 12 ARG HG3 H 1 1.626 0.007 . 2 . . . . . 8 ARG HG3 . 52801 1 119 . 1 . 1 12 12 ARG HD2 H 1 3.262 0.006 . 2 . . . . . 8 ARG HD2 . 52801 1 120 . 1 . 1 12 12 ARG HD3 H 1 3.317 0.000 . 2 . . . . . 8 ARG HD3 . 52801 1 121 . 1 . 1 12 12 ARG C C 13 175.366 0.000 . 1 . . . . . 8 ARG C . 52801 1 122 . 1 . 1 12 12 ARG CA C 13 56.911 0.140 . 1 . . . . . 8 ARG CA . 52801 1 123 . 1 . 1 12 12 ARG CB C 13 27.467 0.096 . 1 . . . . . 8 ARG CB . 52801 1 124 . 1 . 1 12 12 ARG CG C 13 27.844 0.056 . 1 . . . . . 8 ARG CG . 52801 1 125 . 1 . 1 12 12 ARG CD C 13 43.282 0.033 . 1 . . . . . 8 ARG CD . 52801 1 126 . 1 . 1 12 12 ARG N N 15 112.823 0.077 . 1 . . . . . 8 ARG N . 52801 1 127 . 1 . 1 13 13 LEU H H 1 7.272 0.004 . 1 . . . . . 9 LEU H . 52801 1 128 . 1 . 1 13 13 LEU HA H 1 4.106 0.007 . 1 . . . . . 9 LEU HA . 52801 1 129 . 1 . 1 13 13 LEU HB2 H 1 1.021 0.015 . 2 . . . . . 9 LEU HB2 . 52801 1 130 . 1 . 1 13 13 LEU HB3 H 1 1.195 0.012 . 2 . . . . . 9 LEU HB3 . 52801 1 131 . 1 . 1 13 13 LEU HD11 H 1 0.463 0.008 . 2 . . . . . 9 LEU HD11 . 52801 1 132 . 1 . 1 13 13 LEU HD12 H 1 0.463 0.008 . 2 . . . . . 9 LEU HD12 . 52801 1 133 . 1 . 1 13 13 LEU HD13 H 1 0.463 0.008 . 2 . . . . . 9 LEU HD13 . 52801 1 134 . 1 . 1 13 13 LEU HD21 H 1 0.384 0.008 . 2 . . . . . 9 LEU HD21 . 52801 1 135 . 1 . 1 13 13 LEU HD22 H 1 0.384 0.008 . 2 . . . . . 9 LEU HD22 . 52801 1 136 . 1 . 1 13 13 LEU HD23 H 1 0.384 0.008 . 2 . . . . . 9 LEU HD23 . 52801 1 137 . 1 . 1 13 13 LEU C C 13 177.878 0.000 . 1 . . . . . 9 LEU C . 52801 1 138 . 1 . 1 13 13 LEU CA C 13 53.093 0.132 . 1 . . . . . 9 LEU CA . 52801 1 139 . 1 . 1 13 13 LEU CB C 13 41.966 0.054 . 1 . . . . . 9 LEU CB . 52801 1 140 . 1 . 1 13 13 LEU CD1 C 13 22.95 0.035 . 2 . . . . . 9 LEU CD1 . 52801 1 141 . 1 . 1 13 13 LEU CD2 C 13 25.674 0.003 . 2 . . . . . 9 LEU CD2 . 52801 1 142 . 1 . 1 13 13 LEU N N 15 114.424 0.074 . 1 . . . . . 9 LEU N . 52801 1 143 . 1 . 1 14 14 SER H H 1 8.428 0.002 . 1 . . . . . 10 SER H . 52801 1 144 . 1 . 1 14 14 SER HA H 1 4.353 0.004 . 1 . . . . . 10 SER HA . 52801 1 145 . 1 . 1 14 14 SER HB2 H 1 3.755 0.006 . 2 . . . . . 10 SER HB2 . 52801 1 146 . 1 . 1 14 14 SER HB3 H 1 4.094 0.015 . 2 . . . . . 10 SER HB3 . 52801 1 147 . 1 . 1 14 14 SER C C 13 176.022 0.000 . 1 . . . . . 10 SER C . 52801 1 148 . 1 . 1 14 14 SER CA C 13 57.212 0.170 . 1 . . . . . 10 SER CA . 52801 1 149 . 1 . 1 14 14 SER CB C 13 63.777 0.148 . 1 . . . . . 10 SER CB . 52801 1 150 . 1 . 1 14 14 SER N N 15 119.113 0.025 . 1 . . . . . 10 SER N . 52801 1 151 . 1 . 1 15 15 TYR H H 1 8.501 0.004 . 1 . . . . . 11 TYR H . 52801 1 152 . 1 . 1 15 15 TYR HA H 1 4.407 0.014 . 1 . . . . . 11 TYR HA . 52801 1 153 . 1 . 1 15 15 TYR HB2 H 1 3.095 0.013 . 2 . . . . . 11 TYR HB2 . 52801 1 154 . 1 . 1 15 15 TYR HB3 H 1 3.113 0.005 . 2 . . . . . 11 TYR HB3 . 52801 1 155 . 1 . 1 15 15 TYR HD1 H 1 7.152 0.000 . 1 . . . . . 11 TYR HD1 . 52801 1 156 . 1 . 1 15 15 TYR HD2 H 1 7.152 0.000 . 1 . . . . . 11 TYR HD2 . 52801 1 157 . 1 . 1 15 15 TYR HE1 H 1 6.824 0.000 . 1 . . . . . 11 TYR HE1 . 52801 1 158 . 1 . 1 15 15 TYR HE2 H 1 6.824 0.000 . 1 . . . . . 11 TYR HE2 . 52801 1 159 . 1 . 1 15 15 TYR C C 13 175.899 0.000 . 1 . . . . . 11 TYR C . 52801 1 160 . 1 . 1 15 15 TYR CA C 13 59.438 0.089 . 1 . . . . . 11 TYR CA . 52801 1 161 . 1 . 1 15 15 TYR CB C 13 37.182 0.081 . 1 . . . . . 11 TYR CB . 52801 1 162 . 1 . 1 15 15 TYR CD1 C 13 133.102 0.000 . 1 . . . . . 11 TYR CD1 . 52801 1 163 . 1 . 1 15 15 TYR CD2 C 13 133.106 0.000 . 1 . . . . . 11 TYR CD2 . 52801 1 164 . 1 . 1 15 15 TYR CE1 C 13 118.278 0.000 . 1 . . . . . 11 TYR CE1 . 52801 1 165 . 1 . 1 15 15 TYR CE2 C 13 118.278 0.000 . 1 . . . . . 11 TYR CE2 . 52801 1 166 . 1 . 1 15 15 TYR N N 15 123.205 0.037 . 1 . . . . . 11 TYR N . 52801 1 167 . 1 . 1 16 16 ASN H H 1 7.895 0.004 . 1 . . . . . 12 ASN H . 52801 1 168 . 1 . 1 16 16 ASN HA H 1 4.536 0.011 . 1 . . . . . 12 ASN HA . 52801 1 169 . 1 . 1 16 16 ASN HB2 H 1 2.572 0.030 . 2 . . . . . 12 ASN HB2 . 52801 1 170 . 1 . 1 16 16 ASN HB3 H 1 2.527 0.024 . 2 . . . . . 12 ASN HB3 . 52801 1 171 . 1 . 1 16 16 ASN HD21 H 1 7.475 0.001 . 1 . . . . . 12 ASN HD21 . 52801 1 172 . 1 . 1 16 16 ASN HD22 H 1 6.807 0.000 . 1 . . . . . 12 ASN HD22 . 52801 1 173 . 1 . 1 16 16 ASN C C 13 175.049 0.000 . 1 . . . . . 12 ASN C . 52801 1 174 . 1 . 1 16 16 ASN CA C 13 52.885 0.117 . 1 . . . . . 12 ASN CA . 52801 1 175 . 1 . 1 16 16 ASN CB C 13 38.228 0.107 . 1 . . . . . 12 ASN CB . 52801 1 176 . 1 . 1 16 16 ASN N N 15 115.48 0.049 . 1 . . . . . 12 ASN N . 52801 1 177 . 1 . 1 16 16 ASN ND2 N 15 112.514 0.206 . 1 . . . . . 12 ASN ND2 . 52801 1 178 . 1 . 1 17 17 VAL H H 1 7.185 0.004 . 1 . . . . . 13 VAL H . 52801 1 179 . 1 . 1 17 17 VAL HA H 1 3.747 0.015 . 1 . . . . . 13 VAL HA . 52801 1 180 . 1 . 1 17 17 VAL HB H 1 1.982 0.019 . 1 . . . . . 13 VAL HB . 52801 1 181 . 1 . 1 17 17 VAL HG11 H 1 0.945 0.005 . 2 . . . . . 13 VAL HG11 . 52801 1 182 . 1 . 1 17 17 VAL HG12 H 1 0.945 0.005 . 2 . . . . . 13 VAL HG12 . 52801 1 183 . 1 . 1 17 17 VAL HG13 H 1 0.945 0.005 . 2 . . . . . 13 VAL HG13 . 52801 1 184 . 1 . 1 17 17 VAL HG21 H 1 0.921 0.003 . 2 . . . . . 13 VAL HG21 . 52801 1 185 . 1 . 1 17 17 VAL HG22 H 1 0.921 0.003 . 2 . . . . . 13 VAL HG22 . 52801 1 186 . 1 . 1 17 17 VAL HG23 H 1 0.921 0.003 . 2 . . . . . 13 VAL HG23 . 52801 1 187 . 1 . 1 17 17 VAL C C 13 175.141 0.000 . 1 . . . . . 13 VAL C . 52801 1 188 . 1 . 1 17 17 VAL CA C 13 64.048 0.217 . 1 . . . . . 13 VAL CA . 52801 1 189 . 1 . 1 17 17 VAL CB C 13 31.37 0.099 . 1 . . . . . 13 VAL CB . 52801 1 190 . 1 . 1 17 17 VAL CG1 C 13 23.293 0.003 . 2 . . . . . 13 VAL CG1 . 52801 1 191 . 1 . 1 17 17 VAL CG2 C 13 23.763 0.030 . 2 . . . . . 13 VAL CG2 . 52801 1 192 . 1 . 1 17 17 VAL N N 15 120.735 0.037 . 1 . . . . . 13 VAL N . 52801 1 193 . 1 . 1 18 18 ARG H H 1 9.398 0.001 . 1 . . . . . 14 ARG H . 52801 1 194 . 1 . 1 18 18 ARG HA H 1 4.707 0.006 . 1 . . . . . 14 ARG HA . 52801 1 195 . 1 . 1 18 18 ARG HB2 H 1 1.736 0.008 . 2 . . . . . 14 ARG HB2 . 52801 1 196 . 1 . 1 18 18 ARG HB3 H 1 2.133 0.053 . 2 . . . . . 14 ARG HB3 . 52801 1 197 . 1 . 1 18 18 ARG HG2 H 1 1.714 0.010 . 2 . . . . . 14 ARG HG2 . 52801 1 198 . 1 . 1 18 18 ARG HG3 H 1 1.76 0.004 . 2 . . . . . 14 ARG HG3 . 52801 1 199 . 1 . 1 18 18 ARG HD2 H 1 3.187 0.002 . 2 . . . . . 14 ARG HD2 . 52801 1 200 . 1 . 1 18 18 ARG HD3 H 1 3.248 0.000 . 2 . . . . . 14 ARG HD3 . 52801 1 201 . 1 . 1 18 18 ARG C C 13 177.455 0.000 . 1 . . . . . 14 ARG C . 52801 1 202 . 1 . 1 18 18 ARG CA C 13 53.009 0.140 . 1 . . . . . 14 ARG CA . 52801 1 203 . 1 . 1 18 18 ARG CB C 13 32.711 0.137 . 1 . . . . . 14 ARG CB . 52801 1 204 . 1 . 1 18 18 ARG CG C 13 26.013 0.048 . 1 . . . . . 14 ARG CG . 52801 1 205 . 1 . 1 18 18 ARG CD C 13 42.959 0.000 . 1 . . . . . 14 ARG CD . 52801 1 206 . 1 . 1 18 18 ARG N N 15 127.83 0.016 . 1 . . . . . 14 ARG N . 52801 1 207 . 1 . 1 19 19 GLU H H 1 9.587 0.003 . 1 . . . . . 15 GLU H . 52801 1 208 . 1 . 1 19 19 GLU HA H 1 3.624 0.010 . 1 . . . . . 15 GLU HA . 52801 1 209 . 1 . 1 19 19 GLU HB2 H 1 2.021 0.028 . 2 . . . . . 15 GLU HB2 . 52801 1 210 . 1 . 1 19 19 GLU HB3 H 1 2.139 0.008 . 2 . . . . . 15 GLU HB3 . 52801 1 211 . 1 . 1 19 19 GLU HG2 H 1 2.324 0.006 . 2 . . . . . 15 GLU HG2 . 52801 1 212 . 1 . 1 19 19 GLU HG3 H 1 2.183 0.005 . 2 . . . . . 15 GLU HG3 . 52801 1 213 . 1 . 1 19 19 GLU C C 13 178.954 0.000 . 1 . . . . . 15 GLU C . 52801 1 214 . 1 . 1 19 19 GLU CA C 13 62.02 0.138 . 1 . . . . . 15 GLU CA . 52801 1 215 . 1 . 1 19 19 GLU CB C 13 28.28 0.125 . 1 . . . . . 15 GLU CB . 52801 1 216 . 1 . 1 19 19 GLU CG C 13 36.782 0.041 . 1 . . . . . 15 GLU CG . 52801 1 217 . 1 . 1 19 19 GLU N N 15 124.114 0.041 . 1 . . . . . 15 GLU N . 52801 1 218 . 1 . 1 20 20 LYS H H 1 8.654 0.003 . 1 . . . . . 16 LYS H . 52801 1 219 . 1 . 1 20 20 LYS HA H 1 4.176 0.014 . 1 . . . . . 16 LYS HA . 52801 1 220 . 1 . 1 20 20 LYS HB2 H 1 1.764 0.007 . 2 . . . . . 16 LYS HB2 . 52801 1 221 . 1 . 1 20 20 LYS HB3 H 1 1.852 0.001 . 2 . . . . . 16 LYS HB3 . 52801 1 222 . 1 . 1 20 20 LYS HG2 H 1 0.877 0.004 . 2 . . . . . 16 LYS HG2 . 52801 1 223 . 1 . 1 20 20 LYS HG3 H 1 0.938 0.000 . 2 . . . . . 16 LYS HG3 . 52801 1 224 . 1 . 1 20 20 LYS HD2 H 1 1.383 0.005 . 2 . . . . . 16 LYS HD2 . 52801 1 225 . 1 . 1 20 20 LYS HD3 H 1 1.444 0.000 . 2 . . . . . 16 LYS HD3 . 52801 1 226 . 1 . 1 20 20 LYS C C 13 178.697 0.000 . 1 . . . . . 16 LYS C . 52801 1 227 . 1 . 1 20 20 LYS CA C 13 58.799 0.208 . 1 . . . . . 16 LYS CA . 52801 1 228 . 1 . 1 20 20 LYS CB C 13 31.558 0.150 . 1 . . . . . 16 LYS CB . 52801 1 229 . 1 . 1 20 20 LYS CG C 13 25.657 0.002 . 1 . . . . . 16 LYS CG . 52801 1 230 . 1 . 1 20 20 LYS CD C 13 26.812 0.013 . 1 . . . . . 16 LYS CD . 52801 1 231 . 1 . 1 20 20 LYS N N 15 116.114 0.057 . 1 . . . . . 16 LYS N . 52801 1 232 . 1 . 1 21 21 ASP H H 1 7.4 0.005 . 1 . . . . . 17 ASP H . 52801 1 233 . 1 . 1 21 21 ASP HA H 1 4.456 0.010 . 1 . . . . . 17 ASP HA . 52801 1 234 . 1 . 1 21 21 ASP HB2 H 1 2.97 0.011 . 2 . . . . . 17 ASP HB2 . 52801 1 235 . 1 . 1 21 21 ASP HB3 H 1 2.65 0.017 . 2 . . . . . 17 ASP HB3 . 52801 1 236 . 1 . 1 21 21 ASP C C 13 178.311 0.000 . 1 . . . . . 17 ASP C . 52801 1 237 . 1 . 1 21 21 ASP CA C 13 57.039 0.147 . 1 . . . . . 17 ASP CA . 52801 1 238 . 1 . 1 21 21 ASP CB C 13 41.637 0.106 . 1 . . . . . 17 ASP CB . 52801 1 239 . 1 . 1 21 21 ASP N N 15 117.979 0.064 . 1 . . . . . 17 ASP N . 52801 1 240 . 1 . 1 22 22 ILE H H 1 7.416 0.004 . 1 . . . . . 18 ILE H . 52801 1 241 . 1 . 1 22 22 ILE HA H 1 3.665 0.011 . 1 . . . . . 18 ILE HA . 52801 1 242 . 1 . 1 22 22 ILE HB H 1 2.257 0.013 . 1 . . . . . 18 ILE HB . 52801 1 243 . 1 . 1 22 22 ILE HG12 H 1 1.334 0.007 . 2 . . . . . 18 ILE HG12 . 52801 1 244 . 1 . 1 22 22 ILE HG13 H 1 1.193 0.006 . 2 . . . . . 18 ILE HG13 . 52801 1 245 . 1 . 1 22 22 ILE HG21 H 1 0.971 0.012 . 1 . . . . . 18 ILE HG21 . 52801 1 246 . 1 . 1 22 22 ILE HG22 H 1 0.971 0.012 . 1 . . . . . 18 ILE HG22 . 52801 1 247 . 1 . 1 22 22 ILE HG23 H 1 0.971 0.012 . 1 . . . . . 18 ILE HG23 . 52801 1 248 . 1 . 1 22 22 ILE HD11 H 1 0.545 0.007 . 1 . . . . . 18 ILE HD11 . 52801 1 249 . 1 . 1 22 22 ILE HD12 H 1 0.545 0.007 . 1 . . . . . 18 ILE HD12 . 52801 1 250 . 1 . 1 22 22 ILE HD13 H 1 0.545 0.007 . 1 . . . . . 18 ILE HD13 . 52801 1 251 . 1 . 1 22 22 ILE C C 13 177.399 0.000 . 1 . . . . . 18 ILE C . 52801 1 252 . 1 . 1 22 22 ILE CA C 13 62.741 0.148 . 1 . . . . . 18 ILE CA . 52801 1 253 . 1 . 1 22 22 ILE CB C 13 35.936 0.115 . 1 . . . . . 18 ILE CB . 52801 1 254 . 1 . 1 22 22 ILE CG1 C 13 27.523 0.019 . 1 . . . . . 18 ILE CG1 . 52801 1 255 . 1 . 1 22 22 ILE CG2 C 13 18.351 0.002 . 1 . . . . . 18 ILE CG2 . 52801 1 256 . 1 . 1 22 22 ILE CD1 C 13 10.662 0.012 . 1 . . . . . 18 ILE CD1 . 52801 1 257 . 1 . 1 22 22 ILE N N 15 120.562 0.048 . 1 . . . . . 18 ILE N . 52801 1 258 . 1 . 1 23 23 GLN H H 1 8.355 0.003 . 1 . . . . . 19 GLN H . 52801 1 259 . 1 . 1 23 23 GLN HA H 1 3.897 0.009 . 1 . . . . . 19 GLN HA . 52801 1 260 . 1 . 1 23 23 GLN HB2 H 1 2.158 0.029 . 2 . . . . . 19 GLN HB2 . 52801 1 261 . 1 . 1 23 23 GLN HB3 H 1 2.17 0.013 . 2 . . . . . 19 GLN HB3 . 52801 1 262 . 1 . 1 23 23 GLN HG2 H 1 2.467 0.005 . 2 . . . . . 19 GLN HG2 . 52801 1 263 . 1 . 1 23 23 GLN HG3 H 1 2.316 0.001 . 2 . . . . . 19 GLN HG3 . 52801 1 264 . 1 . 1 23 23 GLN HE21 H 1 7.442 0.000 . 1 . . . . . 19 GLN HE21 . 52801 1 265 . 1 . 1 23 23 GLN HE22 H 1 6.801 0.000 . 1 . . . . . 19 GLN HE22 . 52801 1 266 . 1 . 1 23 23 GLN C C 13 179.011 0.000 . 1 . . . . . 19 GLN C . 52801 1 267 . 1 . 1 23 23 GLN CA C 13 59.169 0.172 . 1 . . . . . 19 GLN CA . 52801 1 268 . 1 . 1 23 23 GLN CB C 13 27.574 0.165 . 1 . . . . . 19 GLN CB . 52801 1 269 . 1 . 1 23 23 GLN CG C 13 33.322 0.025 . 1 . . . . . 19 GLN CG . 52801 1 270 . 1 . 1 23 23 GLN N N 15 118.063 0.061 . 1 . . . . . 19 GLN N . 52801 1 271 . 1 . 1 23 23 GLN NE2 N 15 111.001 0.000 . 1 . . . . . 19 GLN NE2 . 52801 1 272 . 1 . 1 24 24 ARG H H 1 7.792 0.004 . 1 . . . . . 20 ARG H . 52801 1 273 . 1 . 1 24 24 ARG HA H 1 4.142 0.009 . 1 . . . . . 20 ARG HA . 52801 1 274 . 1 . 1 24 24 ARG HB2 H 1 2.048 0.026 . 2 . . . . . 20 ARG HB2 . 52801 1 275 . 1 . 1 24 24 ARG HB3 H 1 2.076 0.004 . 2 . . . . . 20 ARG HB3 . 52801 1 276 . 1 . 1 24 24 ARG HG2 H 1 1.684 0.010 . 2 . . . . . 20 ARG HG2 . 52801 1 277 . 1 . 1 24 24 ARG HG3 H 1 1.82 0.006 . 2 . . . . . 20 ARG HG3 . 52801 1 278 . 1 . 1 24 24 ARG HD2 H 1 3.294 0.009 . 2 . . . . . 20 ARG HD2 . 52801 1 279 . 1 . 1 24 24 ARG HD3 H 1 3.35 0.000 . 2 . . . . . 20 ARG HD3 . 52801 1 280 . 1 . 1 24 24 ARG C C 13 179.357 0.000 . 1 . . . . . 20 ARG C . 52801 1 281 . 1 . 1 24 24 ARG CA C 13 58.98 0.154 . 1 . . . . . 20 ARG CA . 52801 1 282 . 1 . 1 24 24 ARG CB C 13 29.763 0.117 . 1 . . . . . 20 ARG CB . 52801 1 283 . 1 . 1 24 24 ARG CG C 13 27.119 0.032 . 1 . . . . . 20 ARG CG . 52801 1 284 . 1 . 1 24 24 ARG CD C 13 42.803 0.065 . 1 . . . . . 20 ARG CD . 52801 1 285 . 1 . 1 24 24 ARG N N 15 118.203 0.038 . 1 . . . . . 20 ARG N . 52801 1 286 . 1 . 1 25 25 PHE H H 1 8.283 0.003 . 1 . . . . . 21 PHE H . 52801 1 287 . 1 . 1 25 25 PHE HA H 1 4.271 0.013 . 1 . . . . . 21 PHE HA . 52801 1 288 . 1 . 1 25 25 PHE HB2 H 1 3.264 0.007 . 2 . . . . . 21 PHE HB2 . 52801 1 289 . 1 . 1 25 25 PHE HB3 H 1 2.922 0.013 . 2 . . . . . 21 PHE HB3 . 52801 1 290 . 1 . 1 25 25 PHE HD1 H 1 7.252 0.000 . 1 . . . . . 21 PHE HD1 . 52801 1 291 . 1 . 1 25 25 PHE HD2 H 1 7.252 0.000 . 1 . . . . . 21 PHE HD2 . 52801 1 292 . 1 . 1 25 25 PHE HE1 H 1 6.908 0.004 . 1 . . . . . 21 PHE HE1 . 52801 1 293 . 1 . 1 25 25 PHE HE2 H 1 6.908 0.004 . 1 . . . . . 21 PHE HE2 . 52801 1 294 . 1 . 1 25 25 PHE C C 13 176.26 0.000 . 1 . . . . . 21 PHE C . 52801 1 295 . 1 . 1 25 25 PHE CA C 13 60.598 0.203 . 1 . . . . . 21 PHE CA . 52801 1 296 . 1 . 1 25 25 PHE CB C 13 39.75 0.111 . 1 . . . . . 21 PHE CB . 52801 1 297 . 1 . 1 25 25 PHE CD1 C 13 133.353 0.000 . 1 . . . . . 21 PHE CD1 . 52801 1 298 . 1 . 1 25 25 PHE CD2 C 13 133.353 0.000 . 1 . . . . . 21 PHE CD2 . 52801 1 299 . 1 . 1 25 25 PHE CE1 C 13 130.143 0.004 . 1 . . . . . 21 PHE CE1 . 52801 1 300 . 1 . 1 25 25 PHE CE2 C 13 130.139 0.000 . 1 . . . . . 21 PHE CE2 . 52801 1 301 . 1 . 1 25 25 PHE N N 15 123.171 0.043 . 1 . . . . . 21 PHE N . 52801 1 302 . 1 . 1 26 26 PHE H H 1 7.545 0.004 . 1 . . . . . 22 PHE H . 52801 1 303 . 1 . 1 26 26 PHE HA H 1 4.638 0.007 . 1 . . . . . 22 PHE HA . 52801 1 304 . 1 . 1 26 26 PHE HB2 H 1 3.765 0.013 . 2 . . . . . 22 PHE HB2 . 52801 1 305 . 1 . 1 26 26 PHE HB3 H 1 2.753 0.012 . 2 . . . . . 22 PHE HB3 . 52801 1 306 . 1 . 1 26 26 PHE HD1 H 1 7.392 0.001 . 1 . . . . . 22 PHE HD1 . 52801 1 307 . 1 . 1 26 26 PHE HD2 H 1 7.392 0.001 . 1 . . . . . 22 PHE HD2 . 52801 1 308 . 1 . 1 26 26 PHE HE1 H 1 7.1 0.002 . 1 . . . . . 22 PHE HE1 . 52801 1 309 . 1 . 1 26 26 PHE HE2 H 1 7.1 0.002 . 1 . . . . . 22 PHE HE2 . 52801 1 310 . 1 . 1 26 26 PHE HZ H 1 7.393 0.003 . 1 . . . . . 22 PHE HZ . 52801 1 311 . 1 . 1 26 26 PHE C C 13 175.78 0.000 . 1 . . . . . 22 PHE C . 52801 1 312 . 1 . 1 26 26 PHE CA C 13 58.33 0.177 . 1 . . . . . 22 PHE CA . 52801 1 313 . 1 . 1 26 26 PHE CB C 13 39.699 0.091 . 1 . . . . . 22 PHE CB . 52801 1 314 . 1 . 1 26 26 PHE CD1 C 13 132.723 0.023 . 1 . . . . . 22 PHE CD1 . 52801 1 315 . 1 . 1 26 26 PHE CD2 C 13 132.719 0.000 . 1 . . . . . 22 PHE CD2 . 52801 1 316 . 1 . 1 26 26 PHE CE1 C 13 130.732 0.000 . 1 . . . . . 22 PHE CE1 . 52801 1 317 . 1 . 1 26 26 PHE CE2 C 13 130.736 0.009 . 1 . . . . . 22 PHE CE2 . 52801 1 318 . 1 . 1 26 26 PHE CZ C 13 130.409 0.010 . 1 . . . . . 22 PHE CZ . 52801 1 319 . 1 . 1 26 26 PHE N N 15 110.801 0.062 . 1 . . . . . 22 PHE N . 52801 1 320 . 1 . 1 27 27 SER H H 1 7.694 0.004 . 1 . . . . . 23 SER H . 52801 1 321 . 1 . 1 27 27 SER HA H 1 4.332 0.010 . 1 . . . . . 23 SER HA . 52801 1 322 . 1 . 1 27 27 SER HB2 H 1 4.148 0.018 . 2 . . . . . 23 SER HB2 . 52801 1 323 . 1 . 1 27 27 SER HB3 H 1 4.199 0.000 . 2 . . . . . 23 SER HB3 . 52801 1 324 . 1 . 1 27 27 SER C C 13 175.497 0.000 . 1 . . . . . 23 SER C . 52801 1 325 . 1 . 1 27 27 SER CA C 13 60.909 0.161 . 1 . . . . . 23 SER CA . 52801 1 326 . 1 . 1 27 27 SER CB C 13 62.892 0.204 . 1 . . . . . 23 SER CB . 52801 1 327 . 1 . 1 27 27 SER N N 15 117.749 0.039 . 1 . . . . . 23 SER N . 52801 1 328 . 1 . 1 28 28 GLY H H 1 9.04 0.003 . 1 . . . . . 24 GLY H . 52801 1 329 . 1 . 1 28 28 GLY HA2 H 1 3.778 0.029 . 2 . . . . . 24 GLY HA2 . 52801 1 330 . 1 . 1 28 28 GLY HA3 H 1 3.966 0.014 . 2 . . . . . 24 GLY HA3 . 52801 1 331 . 1 . 1 28 28 GLY C C 13 174.267 0.000 . 1 . . . . . 24 GLY C . 52801 1 332 . 1 . 1 28 28 GLY CA C 13 44.87 0.113 . 1 . . . . . 24 GLY CA . 52801 1 333 . 1 . 1 28 28 GLY N N 15 113.332 0.040 . 1 . . . . . 24 GLY N . 52801 1 334 . 1 . 1 29 29 TYR H H 1 7.922 0.004 . 1 . . . . . 25 TYR H . 52801 1 335 . 1 . 1 29 29 TYR HA H 1 4.554 0.010 . 1 . . . . . 25 TYR HA . 52801 1 336 . 1 . 1 29 29 TYR HB2 H 1 3.216 0.039 . 2 . . . . . 25 TYR HB2 . 52801 1 337 . 1 . 1 29 29 TYR HB3 H 1 3.27 0.000 . 2 . . . . . 25 TYR HB3 . 52801 1 338 . 1 . 1 29 29 TYR HD1 H 1 7.107 0.001 . 1 . . . . . 25 TYR HD1 . 52801 1 339 . 1 . 1 29 29 TYR HD2 H 1 7.107 0.001 . 1 . . . . . 25 TYR HD2 . 52801 1 340 . 1 . 1 29 29 TYR HE1 H 1 6.665 0.000 . 1 . . . . . 25 TYR HE1 . 52801 1 341 . 1 . 1 29 29 TYR HE2 H 1 6.665 0.000 . 1 . . . . . 25 TYR HE2 . 52801 1 342 . 1 . 1 29 29 TYR C C 13 173.967 0.000 . 1 . . . . . 25 TYR C . 52801 1 343 . 1 . 1 29 29 TYR CA C 13 57.774 0.084 . 1 . . . . . 25 TYR CA . 52801 1 344 . 1 . 1 29 29 TYR CB C 13 38.018 0.067 . 1 . . . . . 25 TYR CB . 52801 1 345 . 1 . 1 29 29 TYR CD1 C 13 133.118 0.000 . 1 . . . . . 25 TYR CD1 . 52801 1 346 . 1 . 1 29 29 TYR CD2 C 13 133.118 0.000 . 1 . . . . . 25 TYR CD2 . 52801 1 347 . 1 . 1 29 29 TYR CE1 C 13 117.728 0.000 . 1 . . . . . 25 TYR CE1 . 52801 1 348 . 1 . 1 29 29 TYR CE2 C 13 117.728 0.000 . 1 . . . . . 25 TYR CE2 . 52801 1 349 . 1 . 1 29 29 TYR N N 15 120.339 0.044 . 1 . . . . . 25 TYR N . 52801 1 350 . 1 . 1 30 30 GLY H H 1 7.668 0.003 . 1 . . . . . 26 GLY H . 52801 1 351 . 1 . 1 30 30 GLY HA2 H 1 3.751 0.006 . 2 . . . . . 26 GLY HA2 . 52801 1 352 . 1 . 1 30 30 GLY HA3 H 1 4.337 0.004 . 2 . . . . . 26 GLY HA3 . 52801 1 353 . 1 . 1 30 30 GLY C C 13 173.445 0.000 . 1 . . . . . 26 GLY C . 52801 1 354 . 1 . 1 30 30 GLY CA C 13 45.299 0.159 . 1 . . . . . 26 GLY CA . 52801 1 355 . 1 . 1 30 30 GLY N N 15 104.712 0.067 . 1 . . . . . 26 GLY N . 52801 1 356 . 1 . 1 31 31 ARG H H 1 8.501 0.001 . 1 . . . . . 27 ARG H . 52801 1 357 . 1 . 1 31 31 ARG HA H 1 4.369 0.017 . 1 . . . . . 27 ARG HA . 52801 1 358 . 1 . 1 31 31 ARG HB2 H 1 1.715 0.042 . 2 . . . . . 27 ARG HB2 . 52801 1 359 . 1 . 1 31 31 ARG HB3 H 1 1.314 0.000 . 2 . . . . . 27 ARG HB3 . 52801 1 360 . 1 . 1 31 31 ARG HG2 H 1 1.618 0.007 . 2 . . . . . 27 ARG HG2 . 52801 1 361 . 1 . 1 31 31 ARG HG3 H 1 1.433 0.006 . 2 . . . . . 27 ARG HG3 . 52801 1 362 . 1 . 1 31 31 ARG HD2 H 1 3.185 0.002 . 2 . . . . . 27 ARG HD2 . 52801 1 363 . 1 . 1 31 31 ARG HD3 H 1 3.245 0.000 . 2 . . . . . 27 ARG HD3 . 52801 1 364 . 1 . 1 31 31 ARG C C 13 175.402 0.000 . 1 . . . . . 27 ARG C . 52801 1 365 . 1 . 1 31 31 ARG CA C 13 56.124 0.120 . 1 . . . . . 27 ARG CA . 52801 1 366 . 1 . 1 31 31 ARG CB C 13 31.598 0.074 . 1 . . . . . 27 ARG CB . 52801 1 367 . 1 . 1 31 31 ARG CG C 13 27.291 0.046 . 1 . . . . . 27 ARG CG . 52801 1 368 . 1 . 1 31 31 ARG CD C 13 42.874 0.006 . 1 . . . . . 27 ARG CD . 52801 1 369 . 1 . 1 31 31 ARG N N 15 121.235 0.047 . 1 . . . . . 27 ARG N . 52801 1 370 . 1 . 1 32 32 LEU H H 1 8.508 0.005 . 1 . . . . . 28 LEU H . 52801 1 371 . 1 . 1 32 32 LEU HA H 1 4.402 0.012 . 1 . . . . . 28 LEU HA . 52801 1 372 . 1 . 1 32 32 LEU HB2 H 1 0.944 0.007 . 2 . . . . . 28 LEU HB2 . 52801 1 373 . 1 . 1 32 32 LEU HB3 H 1 1.61 0.006 . 2 . . . . . 28 LEU HB3 . 52801 1 374 . 1 . 1 32 32 LEU HG H 1 1.479 0.007 . 1 . . . . . 28 LEU HG . 52801 1 375 . 1 . 1 32 32 LEU HD11 H 1 -0.105 0.008 . 2 . . . . . 28 LEU HD11 . 52801 1 376 . 1 . 1 32 32 LEU HD12 H 1 -0.105 0.008 . 2 . . . . . 28 LEU HD12 . 52801 1 377 . 1 . 1 32 32 LEU HD13 H 1 -0.105 0.008 . 2 . . . . . 28 LEU HD13 . 52801 1 378 . 1 . 1 32 32 LEU HD21 H 1 0.532 0.008 . 2 . . . . . 28 LEU HD21 . 52801 1 379 . 1 . 1 32 32 LEU HD22 H 1 0.532 0.008 . 2 . . . . . 28 LEU HD22 . 52801 1 380 . 1 . 1 32 32 LEU HD23 H 1 0.532 0.008 . 2 . . . . . 28 LEU HD23 . 52801 1 381 . 1 . 1 32 32 LEU C C 13 177.292 0.000 . 1 . . . . . 28 LEU C . 52801 1 382 . 1 . 1 32 32 LEU CA C 13 53.191 0.126 . 1 . . . . . 28 LEU CA . 52801 1 383 . 1 . 1 32 32 LEU CB C 13 41.487 0.068 . 1 . . . . . 28 LEU CB . 52801 1 384 . 1 . 1 32 32 LEU CG C 13 25.89 0.010 . 1 . . . . . 28 LEU CG . 52801 1 385 . 1 . 1 32 32 LEU CD1 C 13 22.393 0.002 . 2 . . . . . 28 LEU CD1 . 52801 1 386 . 1 . 1 32 32 LEU CD2 C 13 25.051 0.003 . 2 . . . . . 28 LEU CD2 . 52801 1 387 . 1 . 1 32 32 LEU N N 15 124.321 0.050 . 1 . . . . . 28 LEU N . 52801 1 388 . 1 . 1 33 33 LEU H H 1 8.881 0.002 . 1 . . . . . 29 LEU H . 52801 1 389 . 1 . 1 33 33 LEU HA H 1 4.279 0.008 . 1 . . . . . 29 LEU HA . 52801 1 390 . 1 . 1 33 33 LEU HB2 H 1 1.416 0.032 . 2 . . . . . 29 LEU HB2 . 52801 1 391 . 1 . 1 33 33 LEU HB3 H 1 1.501 0.006 . 2 . . . . . 29 LEU HB3 . 52801 1 392 . 1 . 1 33 33 LEU HG H 1 1.593 0.000 . 1 . . . . . 29 LEU HG . 52801 1 393 . 1 . 1 33 33 LEU HD11 H 1 0.818 0.045 . 2 . . . . . 29 LEU HD11 . 52801 1 394 . 1 . 1 33 33 LEU HD12 H 1 0.818 0.045 . 2 . . . . . 29 LEU HD12 . 52801 1 395 . 1 . 1 33 33 LEU HD13 H 1 0.818 0.045 . 2 . . . . . 29 LEU HD13 . 52801 1 396 . 1 . 1 33 33 LEU HD21 H 1 0.871 0.000 . 2 . . . . . 29 LEU HD21 . 52801 1 397 . 1 . 1 33 33 LEU HD22 H 1 0.871 0.000 . 2 . . . . . 29 LEU HD22 . 52801 1 398 . 1 . 1 33 33 LEU HD23 H 1 0.871 0.000 . 2 . . . . . 29 LEU HD23 . 52801 1 399 . 1 . 1 33 33 LEU C C 13 177.017 0.000 . 1 . . . . . 29 LEU C . 52801 1 400 . 1 . 1 33 33 LEU CA C 13 55.118 0.155 . 1 . . . . . 29 LEU CA . 52801 1 401 . 1 . 1 33 33 LEU CB C 13 42.587 0.097 . 1 . . . . . 29 LEU CB . 52801 1 402 . 1 . 1 33 33 LEU CD1 C 13 22.176 0.002 . 2 . . . . . 29 LEU CD1 . 52801 1 403 . 1 . 1 33 33 LEU CD2 C 13 22.179 0.000 . 2 . . . . . 29 LEU CD2 . 52801 1 404 . 1 . 1 33 33 LEU N N 15 123.976 0.059 . 1 . . . . . 29 LEU N . 52801 1 405 . 1 . 1 34 34 GLU H H 1 7.135 0.005 . 1 . . . . . 30 GLU H . 52801 1 406 . 1 . 1 34 34 GLU HA H 1 4.44 0.009 . 1 . . . . . 30 GLU HA . 52801 1 407 . 1 . 1 34 34 GLU HB2 H 1 1.854 0.028 . 2 . . . . . 30 GLU HB2 . 52801 1 408 . 1 . 1 34 34 GLU HB3 H 1 1.908 0.000 . 2 . . . . . 30 GLU HB3 . 52801 1 409 . 1 . 1 34 34 GLU C C 13 174.047 0.000 . 1 . . . . . 30 GLU C . 52801 1 410 . 1 . 1 34 34 GLU CA C 13 55.617 0.121 . 1 . . . . . 30 GLU CA . 52801 1 411 . 1 . 1 34 34 GLU CB C 13 33.081 0.179 . 1 . . . . . 30 GLU CB . 52801 1 412 . 1 . 1 34 34 GLU N N 15 115.576 0.059 . 1 . . . . . 30 GLU N . 52801 1 413 . 1 . 1 35 35 VAL H H 1 8.47 0.002 . 1 . . . . . 31 VAL H . 52801 1 414 . 1 . 1 35 35 VAL HA H 1 4.334 0.014 . 1 . . . . . 31 VAL HA . 52801 1 415 . 1 . 1 35 35 VAL HB H 1 1.986 0.040 . 1 . . . . . 31 VAL HB . 52801 1 416 . 1 . 1 35 35 VAL HG11 H 1 0.844 0.005 . 2 . . . . . 31 VAL HG11 . 52801 1 417 . 1 . 1 35 35 VAL HG12 H 1 0.844 0.005 . 2 . . . . . 31 VAL HG12 . 52801 1 418 . 1 . 1 35 35 VAL HG13 H 1 0.844 0.005 . 2 . . . . . 31 VAL HG13 . 52801 1 419 . 1 . 1 35 35 VAL HG21 H 1 0.818 0.006 . 2 . . . . . 31 VAL HG21 . 52801 1 420 . 1 . 1 35 35 VAL HG22 H 1 0.818 0.006 . 2 . . . . . 31 VAL HG22 . 52801 1 421 . 1 . 1 35 35 VAL HG23 H 1 0.818 0.006 . 2 . . . . . 31 VAL HG23 . 52801 1 422 . 1 . 1 35 35 VAL C C 13 173.599 0.000 . 1 . . . . . 31 VAL C . 52801 1 423 . 1 . 1 35 35 VAL CA C 13 61.911 0.136 . 1 . . . . . 31 VAL CA . 52801 1 424 . 1 . 1 35 35 VAL CB C 13 33.791 0.118 . 1 . . . . . 31 VAL CB . 52801 1 425 . 1 . 1 35 35 VAL CG1 C 13 20.905 0.009 . 2 . . . . . 31 VAL CG1 . 52801 1 426 . 1 . 1 35 35 VAL CG2 C 13 22.24 0.015 . 2 . . . . . 31 VAL CG2 . 52801 1 427 . 1 . 1 35 35 VAL N N 15 123.692 0.039 . 1 . . . . . 31 VAL N . 52801 1 428 . 1 . 1 36 36 ASP H H 1 9.237 0.002 . 1 . . . . . 32 ASP H . 52801 1 429 . 1 . 1 36 36 ASP HA H 1 4.925 0.002 . 1 . . . . . 32 ASP HA . 52801 1 430 . 1 . 1 36 36 ASP HB2 H 1 2.481 0.007 . 2 . . . . . 32 ASP HB2 . 52801 1 431 . 1 . 1 36 36 ASP HB3 H 1 2.535 0.000 . 2 . . . . . 32 ASP HB3 . 52801 1 432 . 1 . 1 36 36 ASP C C 13 174.337 0.000 . 1 . . . . . 32 ASP C . 52801 1 433 . 1 . 1 36 36 ASP CA C 13 52.079 0.076 . 1 . . . . . 32 ASP CA . 52801 1 434 . 1 . 1 36 36 ASP CB C 13 42.03 0.101 . 1 . . . . . 32 ASP CB . 52801 1 435 . 1 . 1 36 36 ASP N N 15 129.26 0.035 . 1 . . . . . 32 ASP N . 52801 1 436 . 1 . 1 37 37 LEU H H 1 8.674 0.002 . 1 . . . . . 33 LEU H . 52801 1 437 . 1 . 1 37 37 LEU HA H 1 4.288 0.009 . 1 . . . . . 33 LEU HA . 52801 1 438 . 1 . 1 37 37 LEU HB2 H 1 1.298 0.012 . 2 . . . . . 33 LEU HB2 . 52801 1 439 . 1 . 1 37 37 LEU HB3 H 1 1.71 0.030 . 2 . . . . . 33 LEU HB3 . 52801 1 440 . 1 . 1 37 37 LEU HG H 1 1.587 0.004 . 1 . . . . . 33 LEU HG . 52801 1 441 . 1 . 1 37 37 LEU HD11 H 1 0.646 0.005 . 2 . . . . . 33 LEU HD11 . 52801 1 442 . 1 . 1 37 37 LEU HD12 H 1 0.646 0.005 . 2 . . . . . 33 LEU HD12 . 52801 1 443 . 1 . 1 37 37 LEU HD13 H 1 0.646 0.005 . 2 . . . . . 33 LEU HD13 . 52801 1 444 . 1 . 1 37 37 LEU HD21 H 1 0.625 0.011 . 2 . . . . . 33 LEU HD21 . 52801 1 445 . 1 . 1 37 37 LEU HD22 H 1 0.625 0.011 . 2 . . . . . 33 LEU HD22 . 52801 1 446 . 1 . 1 37 37 LEU HD23 H 1 0.625 0.011 . 2 . . . . . 33 LEU HD23 . 52801 1 447 . 1 . 1 37 37 LEU C C 13 175.95 0.000 . 1 . . . . . 33 LEU C . 52801 1 448 . 1 . 1 37 37 LEU CA C 13 55.081 0.230 . 1 . . . . . 33 LEU CA . 52801 1 449 . 1 . 1 37 37 LEU CB C 13 42.728 0.117 . 1 . . . . . 33 LEU CB . 52801 1 450 . 1 . 1 37 37 LEU CG C 13 26.27 0.014 . 1 . . . . . 33 LEU CG . 52801 1 451 . 1 . 1 37 37 LEU CD1 C 13 24.45 0.001 . 2 . . . . . 33 LEU CD1 . 52801 1 452 . 1 . 1 37 37 LEU CD2 C 13 23.949 0.001 . 2 . . . . . 33 LEU CD2 . 52801 1 453 . 1 . 1 37 37 LEU N N 15 124.995 0.055 . 1 . . . . . 33 LEU N . 52801 1 454 . 1 . 1 38 38 LYS H H 1 8.386 0.003 . 1 . . . . . 34 LYS H . 52801 1 455 . 1 . 1 38 38 LYS HA H 1 4.547 0.006 . 1 . . . . . 34 LYS HA . 52801 1 456 . 1 . 1 38 38 LYS HB3 H 1 1.51 0.009 . 2 . . . . . 34 LYS HB3 . 52801 1 457 . 1 . 1 38 38 LYS HG2 H 1 1.266 0.007 . 2 . . . . . 34 LYS HG2 . 52801 1 458 . 1 . 1 38 38 LYS HG3 H 1 1.137 0.004 . 2 . . . . . 34 LYS HG3 . 52801 1 459 . 1 . 1 38 38 LYS HD2 H 1 1.579 0.006 . 2 . . . . . 34 LYS HD2 . 52801 1 460 . 1 . 1 38 38 LYS HD3 H 1 1.639 0.000 . 2 . . . . . 34 LYS HD3 . 52801 1 461 . 1 . 1 38 38 LYS HE2 H 1 2.953 0.006 . 2 . . . . . 34 LYS HE2 . 52801 1 462 . 1 . 1 38 38 LYS HE3 H 1 3.125 0.005 . 2 . . . . . 34 LYS HE3 . 52801 1 463 . 1 . 1 38 38 LYS C C 13 174.547 0.000 . 1 . . . . . 34 LYS C . 52801 1 464 . 1 . 1 38 38 LYS CA C 13 53.259 0.242 . 1 . . . . . 34 LYS CA . 52801 1 465 . 1 . 1 38 38 LYS CB C 13 29.974 0.116 . 1 . . . . . 34 LYS CB . 52801 1 466 . 1 . 1 38 38 LYS CG C 13 24.438 0.016 . 1 . . . . . 34 LYS CG . 52801 1 467 . 1 . 1 38 38 LYS CD C 13 27.852 0.025 . 1 . . . . . 34 LYS CD . 52801 1 468 . 1 . 1 38 38 LYS CE C 13 41.872 0.013 . 1 . . . . . 34 LYS CE . 52801 1 469 . 1 . 1 38 38 LYS N N 15 127.232 0.044 . 1 . . . . . 34 LYS N . 52801 1 470 . 1 . 1 39 39 ASN H H 1 7.554 0.002 . 1 . . . . . 35 ASN H . 52801 1 471 . 1 . 1 39 39 ASN HA H 1 4.828 0.005 . 1 . . . . . 35 ASN HA . 52801 1 472 . 1 . 1 39 39 ASN HB2 H 1 2.767 0.030 . 2 . . . . . 35 ASN HB2 . 52801 1 473 . 1 . 1 39 39 ASN HB3 H 1 2.895 0.000 . 2 . . . . . 35 ASN HB3 . 52801 1 474 . 1 . 1 39 39 ASN HD21 H 1 6.917 0.000 . 1 . . . . . 35 ASN HD21 . 52801 1 475 . 1 . 1 39 39 ASN HD22 H 1 7.618 0.000 . 1 . . . . . 35 ASN HD22 . 52801 1 476 . 1 . 1 39 39 ASN C C 13 174.439 0.000 . 1 . . . . . 35 ASN C . 52801 1 477 . 1 . 1 39 39 ASN CA C 13 52.773 0.168 . 1 . . . . . 35 ASN CA . 52801 1 478 . 1 . 1 39 39 ASN CB C 13 36.941 0.125 . 1 . . . . . 35 ASN CB . 52801 1 479 . 1 . 1 39 39 ASN N N 15 117.384 0.052 . 1 . . . . . 35 ASN N . 52801 1 480 . 1 . 1 39 39 ASN ND2 N 15 112.552 0.003 . 1 . . . . . 35 ASN ND2 . 52801 1 481 . 1 . 1 40 40 GLY H H 1 8.706 0.003 . 1 . . . . . 36 GLY H . 52801 1 482 . 1 . 1 40 40 GLY HA2 H 1 4.412 0.012 . 2 . . . . . 36 GLY HA2 . 52801 1 483 . 1 . 1 40 40 GLY HA3 H 1 3.879 0.010 . 2 . . . . . 36 GLY HA3 . 52801 1 484 . 1 . 1 40 40 GLY C C 13 173.118 0.000 . 1 . . . . . 36 GLY C . 52801 1 485 . 1 . 1 40 40 GLY CA C 13 44.977 0.115 . 1 . . . . . 36 GLY CA . 52801 1 486 . 1 . 1 40 40 GLY N N 15 112.881 0.052 . 1 . . . . . 36 GLY N . 52801 1 487 . 1 . 1 41 41 TYR H H 1 7.288 0.004 . 1 . . . . . 37 TYR H . 52801 1 488 . 1 . 1 41 41 TYR HA H 1 4.936 0.007 . 1 . . . . . 37 TYR HA . 52801 1 489 . 1 . 1 41 41 TYR HB2 H 1 3.245 0.013 . 2 . . . . . 37 TYR HB2 . 52801 1 490 . 1 . 1 41 41 TYR HB3 H 1 2.862 0.015 . 2 . . . . . 37 TYR HB3 . 52801 1 491 . 1 . 1 41 41 TYR HD1 H 1 6.676 0.000 . 1 . . . . . 37 TYR HD1 . 52801 1 492 . 1 . 1 41 41 TYR HD2 H 1 6.676 0.000 . 1 . . . . . 37 TYR HD2 . 52801 1 493 . 1 . 1 41 41 TYR HE1 H 1 6.9 0.001 . 1 . . . . . 37 TYR HE1 . 52801 1 494 . 1 . 1 41 41 TYR HE2 H 1 6.9 0.001 . 1 . . . . . 37 TYR HE2 . 52801 1 495 . 1 . 1 41 41 TYR C C 13 171.932 0.000 . 1 . . . . . 37 TYR C . 52801 1 496 . 1 . 1 41 41 TYR CA C 13 55.078 0.138 . 1 . . . . . 37 TYR CA . 52801 1 497 . 1 . 1 41 41 TYR CB C 13 38.584 0.139 . 1 . . . . . 37 TYR CB . 52801 1 498 . 1 . 1 41 41 TYR CD1 C 13 133.933 0.004 . 1 . . . . . 37 TYR CD1 . 52801 1 499 . 1 . 1 41 41 TYR CD2 C 13 133.933 0.004 . 1 . . . . . 37 TYR CD2 . 52801 1 500 . 1 . 1 41 41 TYR CE1 C 13 118.168 0.000 . 1 . . . . . 37 TYR CE1 . 52801 1 501 . 1 . 1 41 41 TYR CE2 C 13 118.168 0.000 . 1 . . . . . 37 TYR CE2 . 52801 1 502 . 1 . 1 41 41 TYR N N 15 115.957 0.054 . 1 . . . . . 37 TYR N . 52801 1 503 . 1 . 1 42 42 GLY H H 1 8.921 0.003 . 1 . . . . . 38 GLY H . 52801 1 504 . 1 . 1 42 42 GLY HA2 H 1 3.645 0.007 . 2 . . . . . 38 GLY HA2 . 52801 1 505 . 1 . 1 42 42 GLY HA3 H 1 4.121 0.013 . 2 . . . . . 38 GLY HA3 . 52801 1 506 . 1 . 1 42 42 GLY C C 13 169.29 0.000 . 1 . . . . . 38 GLY C . 52801 1 507 . 1 . 1 42 42 GLY CA C 13 45.02 0.110 . 1 . . . . . 38 GLY CA . 52801 1 508 . 1 . 1 42 42 GLY N N 15 105.975 0.074 . 1 . . . . . 38 GLY N . 52801 1 509 . 1 . 1 43 43 PHE H H 1 8.766 0.004 . 1 . . . . . 39 PHE H . 52801 1 510 . 1 . 1 43 43 PHE HA H 1 6.025 0.008 . 1 . . . . . 39 PHE HA . 52801 1 511 . 1 . 1 43 43 PHE HB2 H 1 2.973 0.039 . 2 . . . . . 39 PHE HB2 . 52801 1 512 . 1 . 1 43 43 PHE HB3 H 1 2.863 0.009 . 2 . . . . . 39 PHE HB3 . 52801 1 513 . 1 . 1 43 43 PHE HD1 H 1 7.255 0.004 . 1 . . . . . 39 PHE HD1 . 52801 1 514 . 1 . 1 43 43 PHE HD2 H 1 7.255 0.004 . 1 . . . . . 39 PHE HD2 . 52801 1 515 . 1 . 1 43 43 PHE HE1 H 1 7.619 0.000 . 1 . . . . . 39 PHE HE1 . 52801 1 516 . 1 . 1 43 43 PHE HE2 H 1 7.619 0.000 . 1 . . . . . 39 PHE HE2 . 52801 1 517 . 1 . 1 43 43 PHE HZ H 1 6.9 0.000 . 1 . . . . . 39 PHE HZ . 52801 1 518 . 1 . 1 43 43 PHE C C 13 175.326 0.000 . 1 . . . . . 39 PHE C . 52801 1 519 . 1 . 1 43 43 PHE CA C 13 55.549 0.099 . 1 . . . . . 39 PHE CA . 52801 1 520 . 1 . 1 43 43 PHE CB C 13 43.978 0.108 . 1 . . . . . 39 PHE CB . 52801 1 521 . 1 . 1 43 43 PHE CD1 C 13 132.925 0.002 . 1 . . . . . 39 PHE CD1 . 52801 1 522 . 1 . 1 43 43 PHE CD2 C 13 132.925 0.002 . 1 . . . . . 39 PHE CD2 . 52801 1 523 . 1 . 1 43 43 PHE CE1 C 13 131.851 0.000 . 1 . . . . . 39 PHE CE1 . 52801 1 524 . 1 . 1 43 43 PHE CE2 C 13 131.851 0.000 . 1 . . . . . 39 PHE CE2 . 52801 1 525 . 1 . 1 43 43 PHE CZ C 13 132.993 0.000 . 1 . . . . . 39 PHE CZ . 52801 1 526 . 1 . 1 43 43 PHE N N 15 114.627 0.066 . 1 . . . . . 39 PHE N . 52801 1 527 . 1 . 1 44 44 VAL H H 1 9.242 0.002 . 1 . . . . . 40 VAL H . 52801 1 528 . 1 . 1 44 44 VAL HA H 1 4.926 0.005 . 1 . . . . . 40 VAL HA . 52801 1 529 . 1 . 1 44 44 VAL HB H 1 1.634 0.014 . 1 . . . . . 40 VAL HB . 52801 1 530 . 1 . 1 44 44 VAL HG11 H 1 0.46 0.010 . 2 . . . . . 40 VAL HG11 . 52801 1 531 . 1 . 1 44 44 VAL HG12 H 1 0.46 0.010 . 2 . . . . . 40 VAL HG12 . 52801 1 532 . 1 . 1 44 44 VAL HG13 H 1 0.46 0.010 . 2 . . . . . 40 VAL HG13 . 52801 1 533 . 1 . 1 44 44 VAL HG21 H 1 0.28 0.009 . 2 . . . . . 40 VAL HG21 . 52801 1 534 . 1 . 1 44 44 VAL HG22 H 1 0.28 0.009 . 2 . . . . . 40 VAL HG22 . 52801 1 535 . 1 . 1 44 44 VAL HG23 H 1 0.28 0.009 . 2 . . . . . 40 VAL HG23 . 52801 1 536 . 1 . 1 44 44 VAL C C 13 173.979 0.000 . 1 . . . . . 40 VAL C . 52801 1 537 . 1 . 1 44 44 VAL CA C 13 58.816 0.170 . 1 . . . . . 40 VAL CA . 52801 1 538 . 1 . 1 44 44 VAL CB C 13 34.87 0.084 . 1 . . . . . 40 VAL CB . 52801 1 539 . 1 . 1 44 44 VAL CG1 C 13 22.127 0.003 . 2 . . . . . 40 VAL CG1 . 52801 1 540 . 1 . 1 44 44 VAL CG2 C 13 20.049 0.012 . 2 . . . . . 40 VAL CG2 . 52801 1 541 . 1 . 1 44 44 VAL N N 15 116.055 0.063 . 1 . . . . . 40 VAL N . 52801 1 542 . 1 . 1 45 45 GLU H H 1 8.082 0.004 . 1 . . . . . 41 GLU H . 52801 1 543 . 1 . 1 45 45 GLU HA H 1 5.147 0.008 . 1 . . . . . 41 GLU HA . 52801 1 544 . 1 . 1 45 45 GLU HB2 H 1 1.818 0.034 . 2 . . . . . 41 GLU HB2 . 52801 1 545 . 1 . 1 45 45 GLU HB3 H 1 1.878 0.010 . 2 . . . . . 41 GLU HB3 . 52801 1 546 . 1 . 1 45 45 GLU HG2 H 1 2.127 0.008 . 2 . . . . . 41 GLU HG2 . 52801 1 547 . 1 . 1 45 45 GLU HG3 H 1 2.183 0.000 . 2 . . . . . 41 GLU HG3 . 52801 1 548 . 1 . 1 45 45 GLU C C 13 175.234 0.000 . 1 . . . . . 41 GLU C . 52801 1 549 . 1 . 1 45 45 GLU CA C 13 54.53 0.206 . 1 . . . . . 41 GLU CA . 52801 1 550 . 1 . 1 45 45 GLU CB C 13 32.934 0.162 . 1 . . . . . 41 GLU CB . 52801 1 551 . 1 . 1 45 45 GLU CG C 13 35.918 0.079 . 1 . . . . . 41 GLU CG . 52801 1 552 . 1 . 1 45 45 GLU N N 15 123.007 0.053 . 1 . . . . . 41 GLU N . 52801 1 553 . 1 . 1 46 46 PHE H H 1 8.614 0.001 . 1 . . . . . 42 PHE H . 52801 1 554 . 1 . 1 46 46 PHE HA H 1 4.801 0.022 . 1 . . . . . 42 PHE HA . 52801 1 555 . 1 . 1 46 46 PHE HB2 H 1 2.681 0.008 . 2 . . . . . 42 PHE HB2 . 52801 1 556 . 1 . 1 46 46 PHE HB3 H 1 3.477 0.011 . 2 . . . . . 42 PHE HB3 . 52801 1 557 . 1 . 1 46 46 PHE HD1 H 1 7.231 0.004 . 1 . . . . . 42 PHE HD1 . 52801 1 558 . 1 . 1 46 46 PHE HD2 H 1 7.231 0.004 . 1 . . . . . 42 PHE HD2 . 52801 1 559 . 1 . 1 46 46 PHE HE1 H 1 6.903 0.003 . 1 . . . . . 42 PHE HE1 . 52801 1 560 . 1 . 1 46 46 PHE HE2 H 1 6.903 0.003 . 1 . . . . . 42 PHE HE2 . 52801 1 561 . 1 . 1 46 46 PHE HZ H 1 6.46 0.002 . 1 . . . . . 42 PHE HZ . 52801 1 562 . 1 . 1 46 46 PHE C C 13 174.675 0.000 . 1 . . . . . 42 PHE C . 52801 1 563 . 1 . 1 46 46 PHE CA C 13 57.389 0.106 . 1 . . . . . 42 PHE CA . 52801 1 564 . 1 . 1 46 46 PHE CB C 13 41.441 0.073 . 1 . . . . . 42 PHE CB . 52801 1 565 . 1 . 1 46 46 PHE CD1 C 13 131.767 0.000 . 1 . . . . . 42 PHE CD1 . 52801 1 566 . 1 . 1 46 46 PHE CD2 C 13 131.772 0.004 . 1 . . . . . 42 PHE CD2 . 52801 1 567 . 1 . 1 46 46 PHE CE1 C 13 131.163 0.054 . 1 . . . . . 42 PHE CE1 . 52801 1 568 . 1 . 1 46 46 PHE CE2 C 13 131.163 0.054 . 1 . . . . . 42 PHE CE2 . 52801 1 569 . 1 . 1 46 46 PHE CZ C 13 128.605 0.013 . 1 . . . . . 42 PHE CZ . 52801 1 570 . 1 . 1 46 46 PHE N N 15 125.66 0.038 . 1 . . . . . 42 PHE N . 52801 1 571 . 1 . 1 47 47 GLU H H 1 8.268 0.003 . 1 . . . . . 43 GLU H . 52801 1 572 . 1 . 1 47 47 GLU HA H 1 4.165 0.026 . 1 . . . . . 43 GLU HA . 52801 1 573 . 1 . 1 47 47 GLU HB2 H 1 1.89 0.012 . 2 . . . . . 43 GLU HB2 . 52801 1 574 . 1 . 1 47 47 GLU HB3 H 1 2.285 0.011 . 2 . . . . . 43 GLU HB3 . 52801 1 575 . 1 . 1 47 47 GLU HG2 H 1 2.281 0.007 . 2 . . . . . 43 GLU HG2 . 52801 1 576 . 1 . 1 47 47 GLU HG3 H 1 2.341 0.007 . 2 . . . . . 43 GLU HG3 . 52801 1 577 . 1 . 1 47 47 GLU C C 13 175.593 0.000 . 1 . . . . . 43 GLU C . 52801 1 578 . 1 . 1 47 47 GLU CA C 13 58.717 0.164 . 1 . . . . . 43 GLU CA . 52801 1 579 . 1 . 1 47 47 GLU CB C 13 30.683 0.125 . 1 . . . . . 43 GLU CB . 52801 1 580 . 1 . 1 47 47 GLU CG C 13 36.621 0.003 . 1 . . . . . 43 GLU CG . 52801 1 581 . 1 . 1 47 47 GLU N N 15 119.256 0.034 . 1 . . . . . 43 GLU N . 52801 1 582 . 1 . 1 48 48 ASP H H 1 8.831 0.005 . 1 . . . . . 44 ASP H . 52801 1 583 . 1 . 1 48 48 ASP HA H 1 5.061 0.009 . 1 . . . . . 44 ASP HA . 52801 1 584 . 1 . 1 48 48 ASP HB2 H 1 2.561 0.007 . 2 . . . . . 44 ASP HB2 . 52801 1 585 . 1 . 1 48 48 ASP HB3 H 1 3.207 0.011 . 2 . . . . . 44 ASP HB3 . 52801 1 586 . 1 . 1 48 48 ASP C C 13 177.209 0.000 . 1 . . . . . 44 ASP C . 52801 1 587 . 1 . 1 48 48 ASP CA C 13 52.188 0.070 . 1 . . . . . 44 ASP CA . 52801 1 588 . 1 . 1 48 48 ASP CB C 13 44.032 0.071 . 1 . . . . . 44 ASP CB . 52801 1 589 . 1 . 1 48 48 ASP N N 15 118.369 0.042 . 1 . . . . . 44 ASP N . 52801 1 590 . 1 . 1 49 49 SER H H 1 9.077 0.003 . 1 . . . . . 45 SER H . 52801 1 591 . 1 . 1 49 49 SER HA H 1 3.886 0.037 . 1 . . . . . 45 SER HA . 52801 1 592 . 1 . 1 49 49 SER HB2 H 1 4.016 0.003 . 2 . . . . . 45 SER HB2 . 52801 1 593 . 1 . 1 49 49 SER HB3 H 1 4.077 0.000 . 2 . . . . . 45 SER HB3 . 52801 1 594 . 1 . 1 49 49 SER C C 13 175.375 0.000 . 1 . . . . . 45 SER C . 52801 1 595 . 1 . 1 49 49 SER CA C 13 62.29 0.134 . 1 . . . . . 45 SER CA . 52801 1 596 . 1 . 1 49 49 SER CB C 13 62.155 0.002 . 1 . . . . . 45 SER CB . 52801 1 597 . 1 . 1 49 49 SER N N 15 123.386 0.024 . 1 . . . . . 45 SER N . 52801 1 598 . 1 . 1 50 50 ARG H H 1 8.829 0.002 . 1 . . . . . 46 ARG H . 52801 1 599 . 1 . 1 50 50 ARG HA H 1 4.132 0.033 . 1 . . . . . 46 ARG HA . 52801 1 600 . 1 . 1 50 50 ARG HB2 H 1 1.854 0.012 . 2 . . . . . 46 ARG HB2 . 52801 1 601 . 1 . 1 50 50 ARG HB3 H 1 1.693 0.000 . 2 . . . . . 46 ARG HB3 . 52801 1 602 . 1 . 1 50 50 ARG HG2 H 1 1.732 0.007 . 2 . . . . . 46 ARG HG2 . 52801 1 603 . 1 . 1 50 50 ARG HG3 H 1 1.79 0.000 . 2 . . . . . 46 ARG HG3 . 52801 1 604 . 1 . 1 50 50 ARG HD2 H 1 3.245 0.007 . 2 . . . . . 46 ARG HD2 . 52801 1 605 . 1 . 1 50 50 ARG HD3 H 1 3.3 0.000 . 2 . . . . . 46 ARG HD3 . 52801 1 606 . 1 . 1 50 50 ARG C C 13 178.697 0.000 . 1 . . . . . 46 ARG C . 52801 1 607 . 1 . 1 50 50 ARG CA C 13 58.778 0.162 . 1 . . . . . 46 ARG CA . 52801 1 608 . 1 . 1 50 50 ARG CB C 13 29.312 0.114 . 1 . . . . . 46 ARG CB . 52801 1 609 . 1 . 1 50 50 ARG CG C 13 26.559 0.009 . 1 . . . . . 46 ARG CG . 52801 1 610 . 1 . 1 50 50 ARG CD C 13 42.908 0.023 . 1 . . . . . 46 ARG CD . 52801 1 611 . 1 . 1 50 50 ARG N N 15 123.26 0.040 . 1 . . . . . 46 ARG N . 52801 1 612 . 1 . 1 51 51 ASP H H 1 7.164 0.004 . 1 . . . . . 47 ASP H . 52801 1 613 . 1 . 1 51 51 ASP HA H 1 4.398 0.005 . 1 . . . . . 47 ASP HA . 52801 1 614 . 1 . 1 51 51 ASP HB2 H 1 2.843 0.020 . 2 . . . . . 47 ASP HB2 . 52801 1 615 . 1 . 1 51 51 ASP HB3 H 1 2.898 0.000 . 2 . . . . . 47 ASP HB3 . 52801 1 616 . 1 . 1 51 51 ASP C C 13 176.884 0.000 . 1 . . . . . 47 ASP C . 52801 1 617 . 1 . 1 51 51 ASP CA C 13 56.921 0.177 . 1 . . . . . 47 ASP CA . 52801 1 618 . 1 . 1 51 51 ASP CB C 13 40.541 0.144 . 1 . . . . . 47 ASP CB . 52801 1 619 . 1 . 1 51 51 ASP N N 15 118.507 0.057 . 1 . . . . . 47 ASP N . 52801 1 620 . 1 . 1 52 52 ALA H H 1 6.607 0.006 . 1 . . . . . 48 ALA H . 52801 1 621 . 1 . 1 52 52 ALA HA H 1 2.697 0.007 . 1 . . . . . 48 ALA HA . 52801 1 622 . 1 . 1 52 52 ALA HB1 H 1 1.199 0.020 . 1 . . . . . 48 ALA HB1 . 52801 1 623 . 1 . 1 52 52 ALA HB2 H 1 1.199 0.020 . 1 . . . . . 48 ALA HB2 . 52801 1 624 . 1 . 1 52 52 ALA HB3 H 1 1.199 0.020 . 1 . . . . . 48 ALA HB3 . 52801 1 625 . 1 . 1 52 52 ALA C C 13 178.257 0.000 . 1 . . . . . 48 ALA C . 52801 1 626 . 1 . 1 52 52 ALA CA C 13 54.255 0.112 . 1 . . . . . 48 ALA CA . 52801 1 627 . 1 . 1 52 52 ALA CB C 13 18.222 0.300 . 1 . . . . . 48 ALA CB . 52801 1 628 . 1 . 1 52 52 ALA N N 15 120.508 0.039 . 1 . . . . . 48 ALA N . 52801 1 629 . 1 . 1 53 53 ASP H H 1 7.907 0.002 . 1 . . . . . 49 ASP H . 52801 1 630 . 1 . 1 53 53 ASP HA H 1 4.264 0.054 . 1 . . . . . 49 ASP HA . 52801 1 631 . 1 . 1 53 53 ASP HB2 H 1 2.853 0.019 . 2 . . . . . 49 ASP HB2 . 52801 1 632 . 1 . 1 53 53 ASP HB3 H 1 2.986 0.007 . 2 . . . . . 49 ASP HB3 . 52801 1 633 . 1 . 1 53 53 ASP C C 13 178.875 0.000 . 1 . . . . . 49 ASP C . 52801 1 634 . 1 . 1 53 53 ASP CA C 13 57.311 0.109 . 1 . . . . . 49 ASP CA . 52801 1 635 . 1 . 1 53 53 ASP CB C 13 39.973 0.098 . 1 . . . . . 49 ASP CB . 52801 1 636 . 1 . 1 53 53 ASP N N 15 116.348 0.053 . 1 . . . . . 49 ASP N . 52801 1 637 . 1 . 1 54 54 ASP H H 1 7.822 0.005 . 1 . . . . . 50 ASP H . 52801 1 638 . 1 . 1 54 54 ASP HA H 1 4.539 0.016 . 1 . . . . . 50 ASP HA . 52801 1 639 . 1 . 1 54 54 ASP HB2 H 1 2.979 0.018 . 2 . . . . . 50 ASP HB2 . 52801 1 640 . 1 . 1 54 54 ASP HB3 H 1 3.031 0.000 . 2 . . . . . 50 ASP HB3 . 52801 1 641 . 1 . 1 54 54 ASP C C 13 177.152 0.000 . 1 . . . . . 50 ASP C . 52801 1 642 . 1 . 1 54 54 ASP CA C 13 57.207 0.172 . 1 . . . . . 50 ASP CA . 52801 1 643 . 1 . 1 54 54 ASP CB C 13 39.983 0.115 . 1 . . . . . 50 ASP CB . 52801 1 644 . 1 . 1 54 54 ASP N N 15 120.754 0.040 . 1 . . . . . 50 ASP N . 52801 1 645 . 1 . 1 55 55 ALA H H 1 8.12 0.004 . 1 . . . . . 51 ALA H . 52801 1 646 . 1 . 1 55 55 ALA HA H 1 3.232 0.003 . 1 . . . . . 51 ALA HA . 52801 1 647 . 1 . 1 55 55 ALA HB1 H 1 1.125 0.017 . 1 . . . . . 51 ALA HB1 . 52801 1 648 . 1 . 1 55 55 ALA HB2 H 1 1.125 0.017 . 1 . . . . . 51 ALA HB2 . 52801 1 649 . 1 . 1 55 55 ALA HB3 H 1 1.125 0.017 . 1 . . . . . 51 ALA HB3 . 52801 1 650 . 1 . 1 55 55 ALA C C 13 179.206 0.000 . 1 . . . . . 51 ALA C . 52801 1 651 . 1 . 1 55 55 ALA CA C 13 54.902 0.162 . 1 . . . . . 51 ALA CA . 52801 1 652 . 1 . 1 55 55 ALA CB C 13 18.339 0.168 . 1 . . . . . 51 ALA CB . 52801 1 653 . 1 . 1 55 55 ALA N N 15 122.534 0.048 . 1 . . . . . 51 ALA N . 52801 1 654 . 1 . 1 56 56 VAL H H 1 7.995 0.002 . 1 . . . . . 52 VAL H . 52801 1 655 . 1 . 1 56 56 VAL HA H 1 3.26 0.027 . 1 . . . . . 52 VAL HA . 52801 1 656 . 1 . 1 56 56 VAL HB H 1 1.799 0.028 . 1 . . . . . 52 VAL HB . 52801 1 657 . 1 . 1 56 56 VAL HG11 H 1 0.859 0.005 . 2 . . . . . 52 VAL HG11 . 52801 1 658 . 1 . 1 56 56 VAL HG12 H 1 0.859 0.005 . 2 . . . . . 52 VAL HG12 . 52801 1 659 . 1 . 1 56 56 VAL HG13 H 1 0.859 0.005 . 2 . . . . . 52 VAL HG13 . 52801 1 660 . 1 . 1 56 56 VAL HG21 H 1 0.286 0.009 . 2 . . . . . 52 VAL HG21 . 52801 1 661 . 1 . 1 56 56 VAL HG22 H 1 0.286 0.009 . 2 . . . . . 52 VAL HG22 . 52801 1 662 . 1 . 1 56 56 VAL HG23 H 1 0.286 0.009 . 2 . . . . . 52 VAL HG23 . 52801 1 663 . 1 . 1 56 56 VAL C C 13 178.067 0.000 . 1 . . . . . 52 VAL C . 52801 1 664 . 1 . 1 56 56 VAL CA C 13 66.171 0.208 . 1 . . . . . 52 VAL CA . 52801 1 665 . 1 . 1 56 56 VAL CB C 13 31.635 0.111 . 1 . . . . . 52 VAL CB . 52801 1 666 . 1 . 1 56 56 VAL CG1 C 13 20.849 0.032 . 2 . . . . . 52 VAL CG1 . 52801 1 667 . 1 . 1 56 56 VAL CG2 C 13 22.973 0.000 . 2 . . . . . 52 VAL CG2 . 52801 1 668 . 1 . 1 56 56 VAL N N 15 116.926 0.054 . 1 . . . . . 52 VAL N . 52801 1 669 . 1 . 1 57 57 TYR H H 1 7.688 0.004 . 1 . . . . . 53 TYR H . 52801 1 670 . 1 . 1 57 57 TYR HA H 1 4.27 0.010 . 1 . . . . . 53 TYR HA . 52801 1 671 . 1 . 1 57 57 TYR HB2 H 1 3.26 0.035 . 2 . . . . . 53 TYR HB2 . 52801 1 672 . 1 . 1 57 57 TYR HB3 H 1 3.182 0.027 . 2 . . . . . 53 TYR HB3 . 52801 1 673 . 1 . 1 57 57 TYR HD1 H 1 6.41 0.002 . 1 . . . . . 53 TYR HD1 . 52801 1 674 . 1 . 1 57 57 TYR HD2 H 1 6.41 0.002 . 1 . . . . . 53 TYR HD2 . 52801 1 675 . 1 . 1 57 57 TYR HE1 H 1 7.406 0.001 . 1 . . . . . 53 TYR HE1 . 52801 1 676 . 1 . 1 57 57 TYR HE2 H 1 7.406 0.001 . 1 . . . . . 53 TYR HE2 . 52801 1 677 . 1 . 1 57 57 TYR C C 13 178.434 0.000 . 1 . . . . . 53 TYR C . 52801 1 678 . 1 . 1 57 57 TYR CA C 13 60.667 0.184 . 1 . . . . . 53 TYR CA . 52801 1 679 . 1 . 1 57 57 TYR CB C 13 38.622 0.201 . 1 . . . . . 53 TYR CB . 52801 1 680 . 1 . 1 57 57 TYR CD1 C 13 131.285 0.054 . 1 . . . . . 53 TYR CD1 . 52801 1 681 . 1 . 1 57 57 TYR CD2 C 13 131.285 0.054 . 1 . . . . . 53 TYR CD2 . 52801 1 682 . 1 . 1 57 57 TYR CE1 C 13 119.649 0.000 . 1 . . . . . 53 TYR CE1 . 52801 1 683 . 1 . 1 57 57 TYR CE2 C 13 119.653 0.152 . 1 . . . . . 53 TYR CE2 . 52801 1 684 . 1 . 1 57 57 TYR N N 15 117.021 0.049 . 1 . . . . . 53 TYR N . 52801 1 685 . 1 . 1 58 58 GLU H H 1 8.502 0.002 . 1 . . . . . 54 GLU H . 52801 1 686 . 1 . 1 58 58 GLU HA H 1 4.152 0.008 . 1 . . . . . 54 GLU HA . 52801 1 687 . 1 . 1 58 58 GLU HB2 H 1 2.036 0.015 . 2 . . . . . 54 GLU HB2 . 52801 1 688 . 1 . 1 58 58 GLU HB3 H 1 2.054 0.001 . 2 . . . . . 54 GLU HB3 . 52801 1 689 . 1 . 1 58 58 GLU HG2 H 1 2.422 0.008 . 2 . . . . . 54 GLU HG2 . 52801 1 690 . 1 . 1 58 58 GLU HG3 H 1 2.765 0.007 . 2 . . . . . 54 GLU HG3 . 52801 1 691 . 1 . 1 58 58 GLU C C 13 178.6 0.000 . 1 . . . . . 54 GLU C . 52801 1 692 . 1 . 1 58 58 GLU CA C 13 58.156 0.115 . 1 . . . . . 54 GLU CA . 52801 1 693 . 1 . 1 58 58 GLU CB C 13 30.752 0.084 . 1 . . . . . 54 GLU CB . 52801 1 694 . 1 . 1 58 58 GLU CG C 13 36.778 0.037 . 1 . . . . . 54 GLU CG . 52801 1 695 . 1 . 1 58 58 GLU N N 15 115.236 0.063 . 1 . . . . . 54 GLU N . 52801 1 696 . 1 . 1 59 59 LEU H H 1 8.385 0.002 . 1 . . . . . 55 LEU H . 52801 1 697 . 1 . 1 59 59 LEU HA H 1 4.303 0.016 . 1 . . . . . 55 LEU HA . 52801 1 698 . 1 . 1 59 59 LEU HB2 H 1 1.314 0.019 . 2 . . . . . 55 LEU HB2 . 52801 1 699 . 1 . 1 59 59 LEU HB3 H 1 1.718 0.013 . 2 . . . . . 55 LEU HB3 . 52801 1 700 . 1 . 1 59 59 LEU HG H 1 1.188 0.009 . 1 . . . . . 55 LEU HG . 52801 1 701 . 1 . 1 59 59 LEU HD11 H 1 0.282 0.008 . 2 . . . . . 55 LEU HD11 . 52801 1 702 . 1 . 1 59 59 LEU HD12 H 1 0.282 0.008 . 2 . . . . . 55 LEU HD12 . 52801 1 703 . 1 . 1 59 59 LEU HD13 H 1 0.282 0.008 . 2 . . . . . 55 LEU HD13 . 52801 1 704 . 1 . 1 59 59 LEU HD21 H 1 0.056 0.006 . 2 . . . . . 55 LEU HD21 . 52801 1 705 . 1 . 1 59 59 LEU HD22 H 1 0.056 0.006 . 2 . . . . . 55 LEU HD22 . 52801 1 706 . 1 . 1 59 59 LEU HD23 H 1 0.056 0.006 . 2 . . . . . 55 LEU HD23 . 52801 1 707 . 1 . 1 59 59 LEU C C 13 177.649 0.000 . 1 . . . . . 55 LEU C . 52801 1 708 . 1 . 1 59 59 LEU CA C 13 54.951 0.138 . 1 . . . . . 55 LEU CA . 52801 1 709 . 1 . 1 59 59 LEU CB C 13 41.309 0.083 . 1 . . . . . 55 LEU CB . 52801 1 710 . 1 . 1 59 59 LEU CG C 13 26.255 0.002 . 1 . . . . . 55 LEU CG . 52801 1 711 . 1 . 1 59 59 LEU CD1 C 13 21.219 0.019 . 2 . . . . . 55 LEU CD1 . 52801 1 712 . 1 . 1 59 59 LEU CD2 C 13 26.402 0.012 . 2 . . . . . 55 LEU CD2 . 52801 1 713 . 1 . 1 59 59 LEU N N 15 115.731 0.077 . 1 . . . . . 55 LEU N . 52801 1 714 . 1 . 1 60 60 ASN H H 1 6.807 0.006 . 1 . . . . . 56 ASN H . 52801 1 715 . 1 . 1 60 60 ASN HA H 1 4.358 0.028 . 1 . . . . . 56 ASN HA . 52801 1 716 . 1 . 1 60 60 ASN HB2 H 1 2.8 0.052 . 2 . . . . . 56 ASN HB2 . 52801 1 717 . 1 . 1 60 60 ASN HB3 H 1 2.851 0.000 . 2 . . . . . 56 ASN HB3 . 52801 1 718 . 1 . 1 60 60 ASN HD21 H 1 7.664 0.000 . 1 . . . . . 56 ASN HD21 . 52801 1 719 . 1 . 1 60 60 ASN HD22 H 1 6.924 0.000 . 1 . . . . . 56 ASN HD22 . 52801 1 720 . 1 . 1 60 60 ASN C C 13 176.822 0.000 . 1 . . . . . 56 ASN C . 52801 1 721 . 1 . 1 60 60 ASN CA C 13 56.406 0.162 . 1 . . . . . 56 ASN CA . 52801 1 722 . 1 . 1 60 60 ASN CB C 13 38.755 0.149 . 1 . . . . . 56 ASN CB . 52801 1 723 . 1 . 1 60 60 ASN N N 15 114.504 0.065 . 1 . . . . . 56 ASN N . 52801 1 724 . 1 . 1 60 60 ASN ND2 N 15 114.218 0.001 . 1 . . . . . 56 ASN ND2 . 52801 1 725 . 1 . 1 61 61 GLY H H 1 8.614 0.004 . 1 . . . . . 57 GLY H . 52801 1 726 . 1 . 1 61 61 GLY HA2 H 1 4.227 0.025 . 2 . . . . . 57 GLY HA2 . 52801 1 727 . 1 . 1 61 61 GLY HA3 H 1 3.774 0.012 . 2 . . . . . 57 GLY HA3 . 52801 1 728 . 1 . 1 61 61 GLY C C 13 174.173 0.000 . 1 . . . . . 57 GLY C . 52801 1 729 . 1 . 1 61 61 GLY CA C 13 45.711 0.168 . 1 . . . . . 57 GLY CA . 52801 1 730 . 1 . 1 61 61 GLY N N 15 116.376 0.062 . 1 . . . . . 57 GLY N . 52801 1 731 . 1 . 1 62 62 LYS H H 1 7.819 0.003 . 1 . . . . . 58 LYS H . 52801 1 732 . 1 . 1 62 62 LYS HA H 1 4.441 0.008 . 1 . . . . . 58 LYS HA . 52801 1 733 . 1 . 1 62 62 LYS HB2 H 1 2.118 0.017 . 2 . . . . . 58 LYS HB2 . 52801 1 734 . 1 . 1 62 62 LYS HB3 H 1 2.191 0.006 . 2 . . . . . 58 LYS HB3 . 52801 1 735 . 1 . 1 62 62 LYS HG2 H 1 1.431 0.006 . 2 . . . . . 58 LYS HG2 . 52801 1 736 . 1 . 1 62 62 LYS HG3 H 1 1.631 0.007 . 2 . . . . . 58 LYS HG3 . 52801 1 737 . 1 . 1 62 62 LYS HD2 H 1 1.646 0.000 . 2 . . . . . 58 LYS HD2 . 52801 1 738 . 1 . 1 62 62 LYS HD3 H 1 1.694 0.000 . 2 . . . . . 58 LYS HD3 . 52801 1 739 . 1 . 1 62 62 LYS HE2 H 1 3.076 0.004 . 2 . . . . . 58 LYS HE2 . 52801 1 740 . 1 . 1 62 62 LYS HE3 H 1 3.137 0.000 . 2 . . . . . 58 LYS HE3 . 52801 1 741 . 1 . 1 62 62 LYS C C 13 174.78 0.000 . 1 . . . . . 58 LYS C . 52801 1 742 . 1 . 1 62 62 LYS CA C 13 55.017 0.152 . 1 . . . . . 58 LYS CA . 52801 1 743 . 1 . 1 62 62 LYS CB C 13 32.033 0.098 . 1 . . . . . 58 LYS CB . 52801 1 744 . 1 . 1 62 62 LYS CG C 13 25.806 0.028 . 1 . . . . . 58 LYS CG . 52801 1 745 . 1 . 1 62 62 LYS CE C 13 42.199 0.002 . 1 . . . . . 58 LYS CE . 52801 1 746 . 1 . 1 62 62 LYS N N 15 120.123 0.049 . 1 . . . . . 58 LYS N . 52801 1 747 . 1 . 1 63 63 GLU H H 1 8.238 0.001 . 1 . . . . . 59 GLU H . 52801 1 748 . 1 . 1 63 63 GLU HA H 1 4.491 0.013 . 1 . . . . . 59 GLU HA . 52801 1 749 . 1 . 1 63 63 GLU HB2 H 1 1.815 0.020 . 2 . . . . . 59 GLU HB2 . 52801 1 750 . 1 . 1 63 63 GLU HB3 H 1 1.853 0.006 . 2 . . . . . 59 GLU HB3 . 52801 1 751 . 1 . 1 63 63 GLU HG2 H 1 1.831 0.041 . 2 . . . . . 59 GLU HG2 . 52801 1 752 . 1 . 1 63 63 GLU HG3 H 1 2.089 0.006 . 2 . . . . . 59 GLU HG3 . 52801 1 753 . 1 . 1 63 63 GLU C C 13 175.786 0.000 . 1 . . . . . 59 GLU C . 52801 1 754 . 1 . 1 63 63 GLU CA C 13 56.347 0.110 . 1 . . . . . 59 GLU CA . 52801 1 755 . 1 . 1 63 63 GLU CB C 13 31.203 0.094 . 1 . . . . . 59 GLU CB . 52801 1 756 . 1 . 1 63 63 GLU CG C 13 36.631 0.015 . 1 . . . . . 59 GLU CG . 52801 1 757 . 1 . 1 63 63 GLU N N 15 118.285 0.065 . 1 . . . . . 59 GLU N . 52801 1 758 . 1 . 1 64 64 LEU H H 1 8.802 0.002 . 1 . . . . . 60 LEU H . 52801 1 759 . 1 . 1 64 64 LEU HA H 1 4.398 0.017 . 1 . . . . . 60 LEU HA . 52801 1 760 . 1 . 1 64 64 LEU HB2 H 1 1.384 0.015 . 2 . . . . . 60 LEU HB2 . 52801 1 761 . 1 . 1 64 64 LEU HB3 H 1 0.589 0.007 . 2 . . . . . 60 LEU HB3 . 52801 1 762 . 1 . 1 64 64 LEU HG H 1 1.102 0.009 . 1 . . . . . 60 LEU HG . 52801 1 763 . 1 . 1 64 64 LEU HD11 H 1 0.141 0.011 . 2 . . . . . 60 LEU HD11 . 52801 1 764 . 1 . 1 64 64 LEU HD12 H 1 0.141 0.011 . 2 . . . . . 60 LEU HD12 . 52801 1 765 . 1 . 1 64 64 LEU HD13 H 1 0.141 0.011 . 2 . . . . . 60 LEU HD13 . 52801 1 766 . 1 . 1 64 64 LEU HD21 H 1 0.202 0.000 . 2 . . . . . 60 LEU HD21 . 52801 1 767 . 1 . 1 64 64 LEU HD22 H 1 0.202 0.000 . 2 . . . . . 60 LEU HD22 . 52801 1 768 . 1 . 1 64 64 LEU HD23 H 1 0.202 0.000 . 2 . . . . . 60 LEU HD23 . 52801 1 769 . 1 . 1 64 64 LEU C C 13 175.615 0.000 . 1 . . . . . 60 LEU C . 52801 1 770 . 1 . 1 64 64 LEU CA C 13 54.307 0.101 . 1 . . . . . 60 LEU CA . 52801 1 771 . 1 . 1 64 64 LEU CB C 13 43.672 0.131 . 1 . . . . . 60 LEU CB . 52801 1 772 . 1 . 1 64 64 LEU CG C 13 26.86 0.018 . 1 . . . . . 60 LEU CG . 52801 1 773 . 1 . 1 64 64 LEU CD1 C 13 25.141 0.004 . 2 . . . . . 60 LEU CD1 . 52801 1 774 . 1 . 1 64 64 LEU CD2 C 13 25.144 0.000 . 2 . . . . . 60 LEU CD2 . 52801 1 775 . 1 . 1 64 64 LEU N N 15 125.327 0.056 . 1 . . . . . 60 LEU N . 52801 1 776 . 1 . 1 65 65 CYS H H 1 9.775 0.005 . 1 . . . . . 61 CYS H . 52801 1 777 . 1 . 1 65 65 CYS HA H 1 3.873 0.009 . 1 . . . . . 61 CYS HA . 52801 1 778 . 1 . 1 65 65 CYS HB2 H 1 3.128 0.008 . 2 . . . . . 61 CYS HB2 . 52801 1 779 . 1 . 1 65 65 CYS HB3 H 1 2.584 0.010 . 2 . . . . . 61 CYS HB3 . 52801 1 780 . 1 . 1 65 65 CYS C C 13 175.154 0.000 . 1 . . . . . 61 CYS C . 52801 1 781 . 1 . 1 65 65 CYS CA C 13 60.069 0.167 . 1 . . . . . 61 CYS CA . 52801 1 782 . 1 . 1 65 65 CYS CB C 13 25.666 0.183 . 1 . . . . . 61 CYS CB . 52801 1 783 . 1 . 1 65 65 CYS N N 15 125.18 0.040 . 1 . . . . . 61 CYS N . 52801 1 784 . 1 . 1 66 66 GLY H H 1 8.65 0.001 . 1 . . . . . 62 GLY H . 52801 1 785 . 1 . 1 66 66 GLY HA2 H 1 4.19 0.007 . 2 . . . . . 62 GLY HA2 . 52801 1 786 . 1 . 1 66 66 GLY HA3 H 1 3.595 0.009 . 2 . . . . . 62 GLY HA3 . 52801 1 787 . 1 . 1 66 66 GLY C C 13 173.551 0.000 . 1 . . . . . 62 GLY C . 52801 1 788 . 1 . 1 66 66 GLY CA C 13 45.048 0.102 . 1 . . . . . 62 GLY CA . 52801 1 789 . 1 . 1 66 66 GLY N N 15 103.23 0.078 . 1 . . . . . 62 GLY N . 52801 1 790 . 1 . 1 67 67 GLU H H 1 7.318 0.004 . 1 . . . . . 63 GLU H . 52801 1 791 . 1 . 1 67 67 GLU HA H 1 4.767 0.006 . 1 . . . . . 63 GLU HA . 52801 1 792 . 1 . 1 67 67 GLU HB2 H 1 1.719 0.026 . 2 . . . . . 63 GLU HB2 . 52801 1 793 . 1 . 1 67 67 GLU HB3 H 1 2.054 0.008 . 2 . . . . . 63 GLU HB3 . 52801 1 794 . 1 . 1 67 67 GLU HG2 H 1 2.212 0.045 . 2 . . . . . 63 GLU HG2 . 52801 1 795 . 1 . 1 67 67 GLU HG3 H 1 2.242 0.004 . 2 . . . . . 63 GLU HG3 . 52801 1 796 . 1 . 1 67 67 GLU C C 13 175.007 0.021 . 1 . . . . . 63 GLU C . 52801 1 797 . 1 . 1 67 67 GLU CA C 13 53.582 0.153 . 1 . . . . . 63 GLU CA . 52801 1 798 . 1 . 1 67 67 GLU CB C 13 32.764 0.132 . 1 . . . . . 63 GLU CB . 52801 1 799 . 1 . 1 67 67 GLU CG C 13 34.992 0.016 . 1 . . . . . 63 GLU CG . 52801 1 800 . 1 . 1 67 67 GLU N N 15 118.592 0.049 . 1 . . . . . 63 GLU N . 52801 1 801 . 1 . 1 68 68 ARG H H 1 8.711 0.002 . 1 . . . . . 64 ARG H . 52801 1 802 . 1 . 1 68 68 ARG HA H 1 4.288 0.008 . 1 . . . . . 64 ARG HA . 52801 1 803 . 1 . 1 68 68 ARG HB2 H 1 1.538 0.033 . 2 . . . . . 64 ARG HB2 . 52801 1 804 . 1 . 1 68 68 ARG HB3 H 1 1.714 0.008 . 2 . . . . . 64 ARG HB3 . 52801 1 805 . 1 . 1 68 68 ARG HG2 H 1 1.443 0.007 . 2 . . . . . 64 ARG HG2 . 52801 1 806 . 1 . 1 68 68 ARG HG3 H 1 1.502 0.000 . 2 . . . . . 64 ARG HG3 . 52801 1 807 . 1 . 1 68 68 ARG HD2 H 1 3.187 0.005 . 2 . . . . . 64 ARG HD2 . 52801 1 808 . 1 . 1 68 68 ARG HD3 H 1 3.248 0.000 . 2 . . . . . 64 ARG HD3 . 52801 1 809 . 1 . 1 68 68 ARG C C 13 176.395 0.000 . 1 . . . . . 64 ARG C . 52801 1 810 . 1 . 1 68 68 ARG CA C 13 55.845 0.088 . 1 . . . . . 64 ARG CA . 52801 1 811 . 1 . 1 68 68 ARG CB C 13 29.482 0.073 . 1 . . . . . 64 ARG CB . 52801 1 812 . 1 . 1 68 68 ARG CG C 13 27.502 0.000 . 1 . . . . . 64 ARG CG . 52801 1 813 . 1 . 1 68 68 ARG CD C 13 42.929 0.061 . 1 . . . . . 64 ARG CD . 52801 1 814 . 1 . 1 68 68 ARG N N 15 122.899 0.052 . 1 . . . . . 64 ARG N . 52801 1 815 . 1 . 1 69 69 VAL H H 1 8.13 0.003 . 1 . . . . . 65 VAL H . 52801 1 816 . 1 . 1 69 69 VAL HA H 1 4.566 0.007 . 1 . . . . . 65 VAL HA . 52801 1 817 . 1 . 1 69 69 VAL HB H 1 2.26 0.016 . 1 . . . . . 65 VAL HB . 52801 1 818 . 1 . 1 69 69 VAL HG11 H 1 0.684 0.006 . 2 . . . . . 65 VAL HG11 . 52801 1 819 . 1 . 1 69 69 VAL HG12 H 1 0.684 0.006 . 2 . . . . . 65 VAL HG12 . 52801 1 820 . 1 . 1 69 69 VAL HG13 H 1 0.684 0.006 . 2 . . . . . 65 VAL HG13 . 52801 1 821 . 1 . 1 69 69 VAL HG21 H 1 0.714 0.006 . 2 . . . . . 65 VAL HG21 . 52801 1 822 . 1 . 1 69 69 VAL HG22 H 1 0.714 0.006 . 2 . . . . . 65 VAL HG22 . 52801 1 823 . 1 . 1 69 69 VAL HG23 H 1 0.714 0.006 . 2 . . . . . 65 VAL HG23 . 52801 1 824 . 1 . 1 69 69 VAL C C 13 176.189 0.000 . 1 . . . . . 65 VAL C . 52801 1 825 . 1 . 1 69 69 VAL CA C 13 60.367 0.155 . 1 . . . . . 65 VAL CA . 52801 1 826 . 1 . 1 69 69 VAL CB C 13 33.14 0.113 . 1 . . . . . 65 VAL CB . 52801 1 827 . 1 . 1 69 69 VAL CG1 C 13 18.711 0.003 . 2 . . . . . 65 VAL CG1 . 52801 1 828 . 1 . 1 69 69 VAL CG2 C 13 23.117 0.013 . 2 . . . . . 65 VAL CG2 . 52801 1 829 . 1 . 1 69 69 VAL N N 15 118.711 0.045 . 1 . . . . . 65 VAL N . 52801 1 830 . 1 . 1 70 70 ILE H H 1 7.462 0.005 . 1 . . . . . 66 ILE H . 52801 1 831 . 1 . 1 70 70 ILE HA H 1 4.669 0.015 . 1 . . . . . 66 ILE HA . 52801 1 832 . 1 . 1 70 70 ILE HB H 1 1.41 0.012 . 1 . . . . . 66 ILE HB . 52801 1 833 . 1 . 1 70 70 ILE HG12 H 1 1.584 0.006 . 2 . . . . . 66 ILE HG12 . 52801 1 834 . 1 . 1 70 70 ILE HG13 H 1 1.121 0.008 . 2 . . . . . 66 ILE HG13 . 52801 1 835 . 1 . 1 70 70 ILE HG21 H 1 0.991 0.004 . 1 . . . . . 66 ILE HG21 . 52801 1 836 . 1 . 1 70 70 ILE HG22 H 1 0.991 0.004 . 1 . . . . . 66 ILE HG22 . 52801 1 837 . 1 . 1 70 70 ILE HG23 H 1 0.991 0.004 . 1 . . . . . 66 ILE HG23 . 52801 1 838 . 1 . 1 70 70 ILE HD11 H 1 0.97 0.012 . 1 . . . . . 66 ILE HD11 . 52801 1 839 . 1 . 1 70 70 ILE HD12 H 1 0.97 0.012 . 1 . . . . . 66 ILE HD12 . 52801 1 840 . 1 . 1 70 70 ILE HD13 H 1 0.97 0.012 . 1 . . . . . 66 ILE HD13 . 52801 1 841 . 1 . 1 70 70 ILE C C 13 175.061 0.018 . 1 . . . . . 66 ILE C . 52801 1 842 . 1 . 1 70 70 ILE CA C 13 58.944 0.140 . 1 . . . . . 66 ILE CA . 52801 1 843 . 1 . 1 70 70 ILE CB C 13 41.107 0.054 . 1 . . . . . 66 ILE CB . 52801 1 844 . 1 . 1 70 70 ILE CG1 C 13 27.143 0.009 . 1 . . . . . 66 ILE CG1 . 52801 1 845 . 1 . 1 70 70 ILE CG2 C 13 16.798 0.000 . 1 . . . . . 66 ILE CG2 . 52801 1 846 . 1 . 1 70 70 ILE CD1 C 13 13.574 0.009 . 1 . . . . . 66 ILE CD1 . 52801 1 847 . 1 . 1 70 70 ILE N N 15 121.317 0.035 . 1 . . . . . 66 ILE N . 52801 1 848 . 1 . 1 71 71 VAL H H 1 8.771 0.001 . 1 . . . . . 67 VAL H . 52801 1 849 . 1 . 1 71 71 VAL HA H 1 5.25 0.009 . 1 . . . . . 67 VAL HA . 52801 1 850 . 1 . 1 71 71 VAL HB H 1 1.857 0.016 . 1 . . . . . 67 VAL HB . 52801 1 851 . 1 . 1 71 71 VAL HG11 H 1 0.971 0.005 . 2 . . . . . 67 VAL HG11 . 52801 1 852 . 1 . 1 71 71 VAL HG12 H 1 0.971 0.005 . 2 . . . . . 67 VAL HG12 . 52801 1 853 . 1 . 1 71 71 VAL HG13 H 1 0.971 0.005 . 2 . . . . . 67 VAL HG13 . 52801 1 854 . 1 . 1 71 71 VAL HG21 H 1 0.978 0.005 . 2 . . . . . 67 VAL HG21 . 52801 1 855 . 1 . 1 71 71 VAL HG22 H 1 0.978 0.005 . 2 . . . . . 67 VAL HG22 . 52801 1 856 . 1 . 1 71 71 VAL HG23 H 1 0.978 0.005 . 2 . . . . . 67 VAL HG23 . 52801 1 857 . 1 . 1 71 71 VAL C C 13 174.592 0.062 . 1 . . . . . 67 VAL C . 52801 1 858 . 1 . 1 71 71 VAL CA C 13 60.856 0.170 . 1 . . . . . 67 VAL CA . 52801 1 859 . 1 . 1 71 71 VAL CB C 13 33.812 0.091 . 1 . . . . . 67 VAL CB . 52801 1 860 . 1 . 1 71 71 VAL CG1 C 13 22.885 0.018 . 2 . . . . . 67 VAL CG1 . 52801 1 861 . 1 . 1 71 71 VAL CG2 C 13 21.688 0.018 . 2 . . . . . 67 VAL CG2 . 52801 1 862 . 1 . 1 71 71 VAL N N 15 126.309 0.037 . 1 . . . . . 67 VAL N . 52801 1 863 . 1 . 1 72 72 GLU H H 1 9.197 0.002 . 1 . . . . . 68 GLU H . 52801 1 864 . 1 . 1 72 72 GLU HA H 1 4.821 0.015 . 1 . . . . . 68 GLU HA . 52801 1 865 . 1 . 1 72 72 GLU HB2 H 1 1.962 0.024 . 2 . . . . . 68 GLU HB2 . 52801 1 866 . 1 . 1 72 72 GLU HB3 H 1 2.235 0.041 . 2 . . . . . 68 GLU HB3 . 52801 1 867 . 1 . 1 72 72 GLU HG2 H 1 2.221 0.005 . 2 . . . . . 68 GLU HG2 . 52801 1 868 . 1 . 1 72 72 GLU HG3 H 1 2.332 0.001 . 2 . . . . . 68 GLU HG3 . 52801 1 869 . 1 . 1 72 72 GLU C C 13 175.606 0.014 . 1 . . . . . 68 GLU C . 52801 1 870 . 1 . 1 72 72 GLU CA C 13 53.964 0.092 . 1 . . . . . 68 GLU CA . 52801 1 871 . 1 . 1 72 72 GLU CB C 13 35.01 0.175 . 1 . . . . . 68 GLU CB . 52801 1 872 . 1 . 1 72 72 GLU CG C 13 35.378 0.023 . 1 . . . . . 68 GLU CG . 52801 1 873 . 1 . 1 72 72 GLU N N 15 122.572 0.048 . 1 . . . . . 68 GLU N . 52801 1 874 . 1 . 1 73 73 HIS H H 1 8.946 0.006 . 1 . . . . . 69 HIS H . 52801 1 875 . 1 . 1 73 73 HIS HA H 1 4.48 0.007 . 1 . . . . . 69 HIS HA . 52801 1 876 . 1 . 1 73 73 HIS HB2 H 1 3.055 0.008 . 2 . . . . . 69 HIS HB2 . 52801 1 877 . 1 . 1 73 73 HIS HB3 H 1 3.233 0.054 . 2 . . . . . 69 HIS HB3 . 52801 1 878 . 1 . 1 73 73 HIS HE1 H 1 8.061 0.002 . 1 . . . . . 69 HIS HE1 . 52801 1 879 . 1 . 1 73 73 HIS C C 13 175.959 0.234 . 1 . . . . . 69 HIS C . 52801 1 880 . 1 . 1 73 73 HIS CA C 13 59.099 0.134 . 1 . . . . . 69 HIS CA . 52801 1 881 . 1 . 1 73 73 HIS CB C 13 30.005 0.058 . 1 . . . . . 69 HIS CB . 52801 1 882 . 1 . 1 73 73 HIS CE1 C 13 138.294 0.009 . 1 . . . . . 69 HIS CE1 . 52801 1 883 . 1 . 1 73 73 HIS N N 15 120.819 0.068 . 1 . . . . . 69 HIS N . 52801 1 884 . 1 . 1 74 74 ALA H H 1 8.703 0.003 . 1 . . . . . 70 ALA H . 52801 1 885 . 1 . 1 74 74 ALA HA H 1 4.634 0.015 . 1 . . . . . 70 ALA HA . 52801 1 886 . 1 . 1 74 74 ALA HB1 H 1 1.531 0.014 . 1 . . . . . 70 ALA HB1 . 52801 1 887 . 1 . 1 74 74 ALA HB2 H 1 1.531 0.014 . 1 . . . . . 70 ALA HB2 . 52801 1 888 . 1 . 1 74 74 ALA HB3 H 1 1.531 0.014 . 1 . . . . . 70 ALA HB3 . 52801 1 889 . 1 . 1 74 74 ALA C C 13 176.633 0.044 . 1 . . . . . 70 ALA C . 52801 1 890 . 1 . 1 74 74 ALA CA C 13 51.766 0.098 . 1 . . . . . 70 ALA CA . 52801 1 891 . 1 . 1 74 74 ALA CB C 13 19.285 0.178 . 1 . . . . . 70 ALA CB . 52801 1 892 . 1 . 1 74 74 ALA N N 15 126.539 0.025 . 1 . . . . . 70 ALA N . 52801 1 893 . 1 . 1 75 75 ARG H H 1 8.724 0.004 . 1 . . . . . 71 ARG H . 52801 1 894 . 1 . 1 75 75 ARG HA H 1 4.406 0.024 . 1 . . . . . 71 ARG HA . 52801 1 895 . 1 . 1 75 75 ARG HB2 H 1 1.769 0.021 . 2 . . . . . 71 ARG HB2 . 52801 1 896 . 1 . 1 75 75 ARG HB3 H 1 1.912 0.010 . 2 . . . . . 71 ARG HB3 . 52801 1 897 . 1 . 1 75 75 ARG HG2 H 1 1.44 0.007 . 2 . . . . . 71 ARG HG2 . 52801 1 898 . 1 . 1 75 75 ARG HG3 H 1 1.694 0.007 . 2 . . . . . 71 ARG HG3 . 52801 1 899 . 1 . 1 75 75 ARG HD2 H 1 3.174 0.003 . 2 . . . . . 71 ARG HD2 . 52801 1 900 . 1 . 1 75 75 ARG HD3 H 1 3.234 0.000 . 2 . . . . . 71 ARG HD3 . 52801 1 901 . 1 . 1 75 75 ARG C C 13 175.82 0.000 . 1 . . . . . 71 ARG C . 52801 1 902 . 1 . 1 75 75 ARG CA C 13 55.592 0.293 . 1 . . . . . 71 ARG CA . 52801 1 903 . 1 . 1 75 75 ARG CB C 13 30.86 0.140 . 1 . . . . . 71 ARG CB . 52801 1 904 . 1 . 1 75 75 ARG CG C 13 27.399 0.026 . 1 . . . . . 71 ARG CG . 52801 1 905 . 1 . 1 75 75 ARG CD C 13 42.97 0.023 . 1 . . . . . 71 ARG CD . 52801 1 906 . 1 . 1 75 75 ARG N N 15 122.095 0.036 . 1 . . . . . 71 ARG N . 52801 1 907 . 1 . 1 76 76 GLY H H 1 8.033 0.002 . 1 . . . . . 72 GLY H . 52801 1 908 . 1 . 1 76 76 GLY HA2 H 1 3.738 0.026 . 1 . . . . . 72 GLY HA2 . 52801 1 909 . 1 . 1 76 76 GLY C C 13 180.637 0.000 . 1 . . . . . 72 GLY C . 52801 1 910 . 1 . 1 76 76 GLY CA C 13 45.605 0.261 . 1 . . . . . 72 GLY CA . 52801 1 911 . 1 . 1 76 76 GLY N N 15 116.212 0.044 . 1 . . . . . 72 GLY N . 52801 1 stop_ save_