################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6850 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '15N edited NOESY' 1 $15N isotropic 6850 1 2 '13C edited NOESY' 2 $13C isotropic 6850 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.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 1 1 GLY HA2 H 1 3.6995 0.005 . 2 . . . . . 1 GLY HA1 . 6850 1 2 . 1 1 1 1 GLY CA C 13 40.697 0.000 . 1 . . . . . 1 GLY CA . 6850 1 3 . 1 1 2 2 ALA H H 1 8.658 0.029 . 1 . . . . . 2 ALA H . 6850 1 4 . 1 1 2 2 ALA HA H 1 4.1435 0.045 . 1 . . . . . 2 ALA HA . 6850 1 5 . 1 1 2 2 ALA HB1 H 1 1.2875 0.001 . 1 . . . . . 2 ALA HB . 6850 1 6 . 1 1 2 2 ALA HB2 H 1 1.2875 0.001 . 1 . . . . . 2 ALA HB . 6850 1 7 . 1 1 2 2 ALA HB3 H 1 1.2875 0.001 . 1 . . . . . 2 ALA HB . 6850 1 8 . 1 1 2 2 ALA CA C 13 51.768 0.000 . 1 . . . . . 2 ALA CA . 6850 1 9 . 1 1 2 2 ALA CB C 13 16.386 0.000 . 1 . . . . . 2 ALA CB . 6850 1 10 . 1 1 2 2 ALA N N 15 124.442 0.000 . 1 . . . . . 2 ALA N . 6850 1 11 . 1 1 3 3 MET H H 1 8.699 0.000 . 1 . . . . . 3 MET H . 6850 1 12 . 1 1 3 3 MET HA H 1 4.222 0.004 . 1 . . . . . 3 MET HA . 6850 1 13 . 1 1 3 3 MET HB2 H 1 1.9745 0.015 . 2 . . . . . 3 MET HB2 . 6850 1 14 . 1 1 3 3 MET HB3 H 1 1.930 0.000 . 2 . . . . . 3 MET HB3 . 6850 1 15 . 1 1 3 3 MET HG2 H 1 2.4935 0.051 . 1 . . . . . 3 MET HG2 . 6850 1 16 . 1 1 3 3 MET HE1 H 1 1.917 0.014 . 1 . . . . . 3 MET HE . 6850 1 17 . 1 1 3 3 MET HE2 H 1 1.917 0.014 . 1 . . . . . 3 MET HE . 6850 1 18 . 1 1 3 3 MET HE3 H 1 1.917 0.014 . 1 . . . . . 3 MET HE . 6850 1 19 . 1 1 3 3 MET CA C 13 55.799 0.000 . 1 . . . . . 3 MET CA . 6850 1 20 . 1 1 3 3 MET CB C 13 30.191 0.000 . 1 . . . . . 3 MET CB . 6850 1 21 . 1 1 3 3 MET CG C 13 30.191 0.000 . 1 . . . . . 3 MET CG . 6850 1 22 . 1 1 3 3 MET CE C 13 14.933 0.000 . 1 . . . . . 3 MET CE . 6850 1 23 . 1 1 3 3 MET N N 15 118.993 0.000 . 1 . . . . . 3 MET N . 6850 1 24 . 1 1 4 4 GLU H H 1 8.487 0.000 . 1 . . . . . 4 GLU H . 6850 1 25 . 1 1 4 4 GLU HA H 1 3.976 0 . 1 . . . . . 4 GLU HA . 6850 1 26 . 1 1 4 4 GLU HB2 H 1 2.0025 0.075 . 2 . . . . . 4 GLU HB2 . 6850 1 27 . 1 1 4 4 GLU HB3 H 1 1.939 0.000 . 2 . . . . . 4 GLU HB3 . 6850 1 28 . 1 1 4 4 GLU HG2 H 1 2.322 0.000 . 2 . . . . . 4 GLU HG2 . 6850 1 29 . 1 1 4 4 GLU HG3 H 1 2.134 0.004 . 2 . . . . . 4 GLU HG3 . 6850 1 30 . 1 1 4 4 GLU CA C 13 57.088 0.000 . 1 . . . . . 4 GLU CA . 6850 1 31 . 1 1 4 4 GLU CB C 13 26.147 0.000 . 1 . . . . . 4 GLU CB . 6850 1 32 . 1 1 4 4 GLU CG C 13 35.641 0.000 . 1 . . . . . 4 GLU CG . 6850 1 33 . 1 1 4 4 GLU N N 15 120.752 0.000 . 1 . . . . . 4 GLU N . 6850 1 34 . 1 1 5 5 ALA H H 1 8.041 0.000 . 1 . . . . . 5 ALA H . 6850 1 35 . 1 1 5 5 ALA HA H 1 4.049 0.002 . 1 . . . . . 5 ALA HA . 6850 1 36 . 1 1 5 5 ALA HB1 H 1 1.2865 0.007 . 1 . . . . . 5 ALA HB . 6850 1 37 . 1 1 5 5 ALA HB2 H 1 1.2865 0.007 . 1 . . . . . 5 ALA HB . 6850 1 38 . 1 1 5 5 ALA HB3 H 1 1.2865 0.007 . 1 . . . . . 5 ALA HB . 6850 1 39 . 1 1 5 5 ALA CA C 13 52.852 0.000 . 1 . . . . . 5 ALA CA . 6850 1 40 . 1 1 5 5 ALA CB C 13 16.170 0.000 . 1 . . . . . 5 ALA CB . 6850 1 41 . 1 1 5 5 ALA N N 15 122.329 0.000 . 1 . . . . . 5 ALA N . 6850 1 42 . 1 1 6 6 GLU H H 1 8.257 0.001 . 1 . . . . . 6 GLU H . 6850 1 43 . 1 1 6 6 GLU HA H 1 3.9605 0.001 . 1 . . . . . 6 GLU HA . 6850 1 44 . 1 1 6 6 GLU HB2 H 1 2.2405 0.011 . 2 . . . . . 6 GLU HB2 . 6850 1 45 . 1 1 6 6 GLU HB3 H 1 2.0845 0.009 . 2 . . . . . 6 GLU HB3 . 6850 1 46 . 1 1 6 6 GLU HG2 H 1 2.463 0 . 2 . . . . . 6 GLU HG2 . 6850 1 47 . 1 1 6 6 GLU HG3 H 1 2.139 0.004 . 2 . . . . . 6 GLU HG3 . 6850 1 48 . 1 1 6 6 GLU CA C 13 58.000 0.000 . 1 . . . . . 6 GLU CA . 6850 1 49 . 1 1 6 6 GLU CB C 13 26.959 0.000 . 1 . . . . . 6 GLU CB . 6850 1 50 . 1 1 6 6 GLU CG C 13 34.000 0.000 . 1 . . . . . 6 GLU CG . 6850 1 51 . 1 1 6 6 GLU N N 15 119.018 0.000 . 1 . . . . . 6 GLU N . 6850 1 52 . 1 1 7 7 LYS H H 1 7.683 0.000 . 1 . . . . . 7 LYS H . 6850 1 53 . 1 1 7 7 LYS HA H 1 3.917 0.116 . 1 . . . . . 7 LYS HA . 6850 1 54 . 1 1 7 7 LYS HB2 H 1 1.5005 0.107 . 2 . . . . . 7 LYS HB2 . 6850 1 55 . 1 1 7 7 LYS HB3 H 1 1.374 0.146 . 2 . . . . . 7 LYS HB3 . 6850 1 56 . 1 1 7 7 LYS HG2 H 1 1.296 0.000 . 2 . . . . . 7 LYS HG2 . 6850 1 57 . 1 1 7 7 LYS HE2 H 1 2.820 0.000 . 2 . . . . . 7 LYS HE2 . 6850 1 58 . 1 1 7 7 LYS HE3 H 1 2.778 0.005 . 2 . . . . . 7 LYS HE3 . 6850 1 59 . 1 1 7 7 LYS CA C 13 55.258 0.000 . 1 . . . . . 7 LYS CA . 6850 1 60 . 1 1 7 7 LYS CB C 13 29.101 0.000 . 1 . . . . . 7 LYS CB . 6850 1 61 . 1 1 7 7 LYS CG C 13 24.742 0.000 . 1 . . . . . 7 LYS CG . 6850 1 62 . 1 1 7 7 LYS CE C 13 40.545 0.000 . 1 . . . . . 7 LYS CE . 6850 1 63 . 1 1 7 7 LYS N N 15 117.930 0.000 . 1 . . . . . 7 LYS N . 6850 1 64 . 1 1 8 8 GLU H H 1 8.141 0.000 . 1 . . . . . 8 GLU H . 6850 1 65 . 1 1 8 8 GLU HA H 1 4.0295 0.005 . 1 . . . . . 8 GLU HA . 6850 1 66 . 1 1 8 8 GLU HB2 H 1 1.888 0 . 2 . . . . . 8 GLU HB2 . 6850 1 67 . 1 1 8 8 GLU HG2 H 1 2.2515 0.003 . 2 . . . . . 8 GLU HG2 . 6850 1 68 . 1 1 8 8 GLU CA C 13 53.313 0.000 . 1 . . . . . 8 GLU CA . 6850 1 69 . 1 1 8 8 GLU CB C 13 31.488 0.000 . 1 . . . . . 8 GLU CB . 6850 1 70 . 1 1 8 8 GLU CG C 13 33.461 0.000 . 1 . . . . . 8 GLU CG . 6850 1 71 . 1 1 8 8 GLU N N 15 119.712 0.000 . 1 . . . . . 8 GLU N . 6850 1 72 . 1 1 9 9 PHE H H 1 8.222 0.000 . 1 . . . . . 9 PHE H . 6850 1 73 . 1 1 9 9 PHE HA H 1 3.766 0.008 . 1 . . . . . 9 PHE HA . 6850 1 74 . 1 1 9 9 PHE HB2 H 1 3.1985 0.001 . 2 . . . . . 9 PHE HB2 . 6850 1 75 . 1 1 9 9 PHE HB3 H 1 3.102 0.01 . 2 . . . . . 9 PHE HB3 . 6850 1 76 . 1 1 9 9 PHE HD1 H 1 6.9185 0.011 . 3 . . . . . 9 PHE HD1 . 6850 1 77 . 1 1 9 9 PHE HE1 H 1 6.886 0.006 . 3 . . . . . 9 PHE HE1 . 6850 1 78 . 1 1 9 9 PHE HZ H 1 6.879 0.003 . 1 . . . . . 9 PHE HZ . 6850 1 79 . 1 1 9 9 PHE CA C 13 59.575 0.000 . 1 . . . . . 9 PHE CA . 6850 1 80 . 1 1 9 9 PHE CB C 13 37.841 0.000 . 1 . . . . . 9 PHE CB . 6850 1 81 . 1 1 9 9 PHE N N 15 121.600 0.000 . 1 . . . . . 9 PHE N . 6850 1 82 . 1 1 10 10 ILE H H 1 8.300 0.000 . 1 . . . . . 10 ILE H . 6850 1 83 . 1 1 10 10 ILE HA H 1 3.3465 0.011 . 1 . . . . . 10 ILE HA . 6850 1 84 . 1 1 10 10 ILE HB H 1 1.9685 0.001 . 1 . . . . . 10 ILE HB . 6850 1 85 . 1 1 10 10 ILE HG12 H 1 1.6865 0.005 . 1 . . . . . 10 ILE HG12 . 6850 1 86 . 1 1 10 10 ILE HG13 H 1 1.3375 0.009 . 1 . . . . . 10 ILE HG13 . 6850 1 87 . 1 1 10 10 ILE HG21 H 1 0.919 0.018 . 1 . . . . . 10 ILE QG2 . 6850 1 88 . 1 1 10 10 ILE HG22 H 1 0.919 0.018 . 1 . . . . . 10 ILE QG2 . 6850 1 89 . 1 1 10 10 ILE HG23 H 1 0.919 0.018 . 1 . . . . . 10 ILE QG2 . 6850 1 90 . 1 1 10 10 ILE HD11 H 1 0.8385 0.003 . 1 . . . . . 10 ILE HD1 . 6850 1 91 . 1 1 10 10 ILE HD12 H 1 0.8385 0.003 . 1 . . . . . 10 ILE HD1 . 6850 1 92 . 1 1 10 10 ILE HD13 H 1 0.8385 0.003 . 1 . . . . . 10 ILE HD1 . 6850 1 93 . 1 1 10 10 ILE CA C 13 62.544 0.000 . 1 . . . . . 10 ILE CA . 6850 1 94 . 1 1 10 10 ILE CB C 13 34.298 0.000 . 1 . . . . . 10 ILE CB . 6850 1 95 . 1 1 10 10 ILE CG1 C 13 27.068 0.000 . 1 . . . . . 10 ILE CG1 . 6850 1 96 . 1 1 10 10 ILE CG2 C 13 15.480 0.000 . 1 . . . . . 10 ILE CG2 . 6850 1 97 . 1 1 10 10 ILE CD1 C 13 10.573 0.000 . 1 . . . . . 10 ILE CD1 . 6850 1 98 . 1 1 10 10 ILE N N 15 117.241 0.000 . 1 . . . . . 10 ILE N . 6850 1 99 . 1 1 11 11 THR H H 1 8.156 0.001 . 1 . . . . . 11 THR H . 6850 1 100 . 1 1 11 11 THR HA H 1 3.6605 0.017 . 1 . . . . . 11 THR HA . 6850 1 101 . 1 1 11 11 THR HB H 1 4.1735 0.001 . 1 . . . . . 11 THR HB . 6850 1 102 . 1 1 11 11 THR HG21 H 1 1.0535 0.001 . 1 . . . . . 11 THR HG2 . 6850 1 103 . 1 1 11 11 THR HG22 H 1 1.0535 0.001 . 1 . . . . . 11 THR HG2 . 6850 1 104 . 1 1 11 11 THR HG23 H 1 1.0535 0.001 . 1 . . . . . 11 THR HG2 . 6850 1 105 . 1 1 11 11 THR CA C 13 65.067 0.000 . 1 . . . . . 11 THR CA . 6850 1 106 . 1 1 11 11 THR CB C 13 65.278 0.000 . 1 . . . . . 11 THR CB . 6850 1 107 . 1 1 11 11 THR CG2 C 13 19.292 0.000 . 1 . . . . . 11 THR CG2 . 6850 1 108 . 1 1 11 11 THR N N 15 117.797 0.000 . 1 . . . . . 11 THR N . 6850 1 109 . 1 1 12 12 MET H H 1 7.760 0.000 . 1 . . . . . 12 MET H . 6850 1 110 . 1 1 12 12 MET HA H 1 3.628 0.026 . 1 . . . . . 12 MET HA . 6850 1 111 . 1 1 12 12 MET HB2 H 1 2.2805 0.055 . 2 . . . . . 12 MET HB2 . 6850 1 112 . 1 1 12 12 MET HG2 H 1 1.611 0.002 . 2 . . . . . 12 MET HG2 . 6850 1 113 . 1 1 12 12 MET HE1 H 1 1.1065 0.003 . 1 . . . . . 12 MET HE . 6850 1 114 . 1 1 12 12 MET HE2 H 1 1.1065 0.003 . 1 . . . . . 12 MET HE . 6850 1 115 . 1 1 12 12 MET HE3 H 1 1.1065 0.003 . 1 . . . . . 12 MET HE . 6850 1 116 . 1 1 12 12 MET CA C 13 56.893 0.000 . 1 . . . . . 12 MET CA . 6850 1 117 . 1 1 12 12 MET CB C 13 29.100 0.000 . 1 . . . . . 12 MET CB . 6850 1 118 . 1 1 12 12 MET CG C 13 29.100 0.000 . 1 . . . . . 12 MET CG . 6850 1 119 . 1 1 12 12 MET CE C 13 13.843 0.000 . 1 . . . . . 12 MET CE . 6850 1 120 . 1 1 12 12 MET N N 15 121.784 0.000 . 1 . . . . . 12 MET N . 6850 1 121 . 1 1 13 13 LEU H H 1 7.314 0.000 . 1 . . . . . 13 LEU H . 6850 1 122 . 1 1 13 13 LEU HA H 1 3.2 0.004 . 1 . . . . . 13 LEU HA . 6850 1 123 . 1 1 13 13 LEU HB2 H 1 1.1295 0.007 . 2 . . . . . 13 LEU HB2 . 6850 1 124 . 1 1 13 13 LEU HB3 H 1 -0.038 0.024 . 2 . . . . . 13 LEU HB3 . 6850 1 125 . 1 1 13 13 LEU HG H 1 0.9285 1.019 . 1 . . . . . 13 LEU HG . 6850 1 126 . 1 1 13 13 LEU HD11 H 1 0.177 0.008 . 2 . . . . . 13 LEU HD1 . 6850 1 127 . 1 1 13 13 LEU HD12 H 1 0.177 0.008 . 2 . . . . . 13 LEU HD1 . 6850 1 128 . 1 1 13 13 LEU HD13 H 1 0.177 0.008 . 2 . . . . . 13 LEU HD1 . 6850 1 129 . 1 1 13 13 LEU HD21 H 1 0.932 1.016 . 2 . . . . . 13 LEU HD2 . 6850 1 130 . 1 1 13 13 LEU HD22 H 1 0.932 1.016 . 2 . . . . . 13 LEU HD2 . 6850 1 131 . 1 1 13 13 LEU HD23 H 1 0.932 1.016 . 2 . . . . . 13 LEU HD2 . 6850 1 132 . 1 1 13 13 LEU CA C 13 55.258 0.000 . 1 . . . . . 13 LEU CA . 6850 1 133 . 1 1 13 13 LEU CB C 13 36.456 0.000 . 1 . . . . . 13 LEU CB . 6850 1 134 . 1 1 13 13 LEU CG C 13 22.562 0.000 . 1 . . . . . 13 LEU CG . 6850 1 135 . 1 1 13 13 LEU CD1 C 13 20.927 0.000 . 2 . . . . . 13 LEU CD1 . 6850 1 136 . 1 1 13 13 LEU CD2 C 13 24.858 0.000 . 2 . . . . . 13 LEU CD2 . 6850 1 137 . 1 1 13 13 LEU N N 15 119.924 0.000 . 1 . . . . . 13 LEU N . 6850 1 138 . 1 1 14 14 LYS H H 1 7.898 0.000 . 1 . . . . . 14 LYS H . 6850 1 139 . 1 1 14 14 LYS HA H 1 4.0315 0.003 . 1 . . . . . 14 LYS HA . 6850 1 140 . 1 1 14 14 LYS HB2 H 1 1.8795 0.003 . 2 . . . . . 14 LYS HB2 . 6850 1 141 . 1 1 14 14 LYS HG2 H 1 1.5145 0.039 . 2 . . . . . 14 LYS HG2 . 6850 1 142 . 1 1 14 14 LYS HG3 H 1 1.384 0.012 . 2 . . . . . 14 LYS HG3 . 6850 1 143 . 1 1 14 14 LYS HD2 H 1 1.6205 0.045 . 2 . . . . . 14 LYS HD2 . 6850 1 144 . 1 1 14 14 LYS HE2 H 1 2.893 0.000 . 2 . . . . . 14 LYS HE2 . 6850 1 145 . 1 1 14 14 LYS CA C 13 57.048 0.000 . 1 . . . . . 14 LYS CA . 6850 1 146 . 1 1 14 14 LYS CB C 13 30.291 0.000 . 1 . . . . . 14 LYS CB . 6850 1 147 . 1 1 14 14 LYS CG C 13 23.476 0.000 . 1 . . . . . 14 LYS CG . 6850 1 148 . 1 1 14 14 LYS CD C 13 26.921 0.000 . 1 . . . . . 14 LYS CD . 6850 1 149 . 1 1 14 14 LYS CE C 13 39.868 0.000 . 1 . . . . . 14 LYS CE . 6850 1 150 . 1 1 14 14 LYS N N 15 119.798 0.000 . 1 . . . . . 14 LYS N . 6850 1 151 . 1 1 15 15 GLU H H 1 8.9275 0.137 . 1 . . . . . 15 GLU H . 6850 1 152 . 1 1 15 15 GLU HA H 1 3.8765 0.015 . 1 . . . . . 15 GLU HA . 6850 1 153 . 1 1 15 15 GLU HB2 H 1 1.876 0.006 . 2 . . . . . 15 GLU HB2 . 6850 1 154 . 1 1 15 15 GLU HB3 H 1 1.831 0 . 2 . . . . . 15 GLU HB3 . 6850 1 155 . 1 1 15 15 GLU HG2 H 1 2.443 0 . 2 . . . . . 15 GLU HG2 . 6850 1 156 . 1 1 15 15 GLU HG3 H 1 2.118 0 . 2 . . . . . 15 GLU HG3 . 6850 1 157 . 1 1 15 15 GLU CA C 13 56.377 0.000 . 1 . . . . . 15 GLU CA . 6850 1 158 . 1 1 15 15 GLU CB C 13 27.160 0.000 . 1 . . . . . 15 GLU CB . 6850 1 159 . 1 1 15 15 GLU CG C 13 35.047 0.151 . 1 . . . . . 15 GLU CG . 6850 1 160 . 1 1 15 15 GLU N N 15 119.538 0.000 . 1 . . . . . 15 GLU N . 6850 1 161 . 1 1 16 16 ASN H H 1 7.122 0.000 . 1 . . . . . 16 ASN H . 6850 1 162 . 1 1 16 16 ASN HA H 1 4.502 0 . 1 . . . . . 16 ASN HA . 6850 1 163 . 1 1 16 16 ASN HB2 H 1 2.562 0.014 . 2 . . . . . 16 ASN HB2 . 6850 1 164 . 1 1 16 16 ASN HB3 H 1 2.0985 0.019 . 2 . . . . . 16 ASN HB3 . 6850 1 165 . 1 1 16 16 ASN CA C 13 51.379 0.000 . 1 . . . . . 16 ASN CA . 6850 1 166 . 1 1 16 16 ASN CB C 13 38.118 0.000 . 1 . . . . . 16 ASN CB . 6850 1 167 . 1 1 16 16 ASN N N 15 114.554 0.000 . 1 . . . . . 16 ASN N . 6850 1 168 . 1 1 17 17 GLN H H 1 7.798 0.000 . 1 . . . . . 17 GLN H . 6850 1 169 . 1 1 17 17 GLN HA H 1 3.733 0 . 1 . . . . . 17 GLN HA . 6850 1 170 . 1 1 17 17 GLN HB2 H 1 2.1445 0.009 . 2 . . . . . 17 GLN HB2 . 6850 1 171 . 1 1 17 17 GLN HG2 H 1 2.145 0.006 . 2 . . . . . 17 GLN HG2 . 6850 1 172 . 1 1 17 17 GLN HE21 H 1 7.457 0.003 . 2 . . . . . 17 GLN HE21 . 6850 1 173 . 1 1 17 17 GLN HE22 H 1 6.696 0.007 . 2 . . . . . 17 GLN HE22 . 6850 1 174 . 1 1 17 17 GLN CA C 13 53.773 0.000 . 1 . . . . . 17 GLN CA . 6850 1 175 . 1 1 17 17 GLN CB C 13 31.826 0.000 . 1 . . . . . 17 GLN CB . 6850 1 176 . 1 1 17 17 GLN CG C 13 23.292 0.000 . 1 . . . . . 17 GLN CG . 6850 1 177 . 1 1 17 17 GLN N N 15 113.124 0.000 . 1 . . . . . 17 GLN N . 6850 1 178 . 1 1 17 17 GLN NE2 N 15 112.216 0.000 . 1 . . . . . 17 GLN NE2 . 6850 1 179 . 1 1 18 18 VAL H H 1 7.214 0.000 . 1 . . . . . 18 VAL H . 6850 1 180 . 1 1 18 18 VAL HA H 1 1.835 0.016 . 1 . . . . . 18 VAL HA . 6850 1 181 . 1 1 18 18 VAL HB H 1 1.1175 0.001 . 1 . . . . . 18 VAL HB . 6850 1 182 . 1 1 18 18 VAL HG11 H 1 0.4305 0.005 . 2 . . . . . 18 VAL HG1 . 6850 1 183 . 1 1 18 18 VAL HG12 H 1 0.4305 0.005 . 2 . . . . . 18 VAL HG1 . 6850 1 184 . 1 1 18 18 VAL HG13 H 1 0.4305 0.005 . 2 . . . . . 18 VAL HG1 . 6850 1 185 . 1 1 18 18 VAL HG21 H 1 -0.5295 0.021 . 2 . . . . . 18 VAL HG2 . 6850 1 186 . 1 1 18 18 VAL HG22 H 1 -0.5295 0.021 . 2 . . . . . 18 VAL HG2 . 6850 1 187 . 1 1 18 18 VAL HG23 H 1 -0.5295 0.021 . 2 . . . . . 18 VAL HG2 . 6850 1 188 . 1 1 18 18 VAL CA C 13 62.343 0.000 . 1 . . . . . 18 VAL CA . 6850 1 189 . 1 1 18 18 VAL CB C 13 27.897 0.000 . 1 . . . . . 18 VAL CB . 6850 1 190 . 1 1 18 18 VAL CG1 C 13 19.837 0.000 . 2 . . . . . 18 VAL CG1 . 6850 1 191 . 1 1 18 18 VAL CG2 C 13 19.292 0.000 . 2 . . . . . 18 VAL CG2 . 6850 1 192 . 1 1 18 18 VAL N N 15 117.761 0.000 . 1 . . . . . 18 VAL N . 6850 1 193 . 1 1 19 19 ASP H H 1 6.936 0.003 . 1 . . . . . 19 ASP H . 6850 1 194 . 1 1 19 19 ASP HA H 1 4.5185 0.005 . 1 . . . . . 19 ASP HA . 6850 1 195 . 1 1 19 19 ASP HB2 H 1 3.1455 0.003 . 2 . . . . . 19 ASP HB2 . 6850 1 196 . 1 1 19 19 ASP HB3 H 1 2.6105 0.005 . 2 . . . . . 19 ASP HB3 . 6850 1 197 . 1 1 19 19 ASP CA C 13 50.919 0.000 . 1 . . . . . 19 ASP CA . 6850 1 198 . 1 1 19 19 ASP CB C 13 39.592 0.000 . 1 . . . . . 19 ASP CB . 6850 1 199 . 1 1 19 19 ASP N N 15 127.100 0.000 . 1 . . . . . 19 ASP N . 6850 1 200 . 1 1 20 20 SER H H 1 8.268 0.000 . 1 . . . . . 20 SER H . 6850 1 201 . 1 1 20 20 SER HA H 1 4.2255 0.015 . 1 . . . . . 20 SER HA . 6850 1 202 . 1 1 20 20 SER HB2 H 1 4.035 0.002 . 2 . . . . . 20 SER HB2 . 6850 1 203 . 1 1 20 20 SER HB3 H 1 3.845 0.004 . 2 . . . . . 20 SER HB3 . 6850 1 204 . 1 1 20 20 SER CA C 13 58.672 0.000 . 1 . . . . . 20 SER CA . 6850 1 205 . 1 1 20 20 SER CB C 13 60.602 0.106 . 1 . . . . . 20 SER CB . 6850 1 206 . 1 1 20 20 SER N N 15 110.431 0.000 . 1 . . . . . 20 SER N . 6850 1 207 . 1 1 21 21 THR H H 1 8.995 0.144 . 1 . . . . . 21 THR H . 6850 1 208 . 1 1 21 21 THR HA H 1 4.377 0 . 1 . . . . . 21 THR HA . 6850 1 209 . 1 1 21 21 THR HB H 1 4.261 0.072 . 1 . . . . . 21 THR HB . 6850 1 210 . 1 1 21 21 THR HG21 H 1 1.201 0 . 1 . . . . . 21 THR HG2 . 6850 1 211 . 1 1 21 21 THR HG22 H 1 1.201 0 . 1 . . . . . 21 THR HG2 . 6850 1 212 . 1 1 21 21 THR HG23 H 1 1.201 0 . 1 . . . . . 21 THR HG2 . 6850 1 213 . 1 1 21 21 THR CA C 13 60.772 0.000 . 1 . . . . . 21 THR CA . 6850 1 214 . 1 1 21 21 THR CB C 13 67.792 0.000 . 1 . . . . . 21 THR CB . 6850 1 215 . 1 1 21 21 THR CG2 C 13 20.069 0.000 . 1 . . . . . 21 THR CG2 . 6850 1 216 . 1 1 21 21 THR N N 15 113.827 0.000 . 1 . . . . . 21 THR N . 6850 1 217 . 1 1 22 22 TRP H H 1 8.585 0.000 . 1 . . . . . 22 TRP H . 6850 1 218 . 1 1 22 22 TRP HA H 1 4.4185 0.009 . 1 . . . . . 22 TRP HA . 6850 1 219 . 1 1 22 22 TRP HB2 H 1 3.699 0.008 . 2 . . . . . 22 TRP HB2 . 6850 1 220 . 1 1 22 22 TRP HB3 H 1 3.142 0.006 . 2 . . . . . 22 TRP HB3 . 6850 1 221 . 1 1 22 22 TRP HD1 H 1 7.613 0.006 . 1 . . . . . 22 TRP HD1 . 6850 1 222 . 1 1 22 22 TRP HE1 H 1 10.324 0.000 . 1 . . . . . 22 TRP HE1 . 6850 1 223 . 1 1 22 22 TRP HE3 H 1 7.101 0.003 . 1 . . . . . 22 TRP HE3 . 6850 1 224 . 1 1 22 22 TRP HZ2 H 1 7.3675 0.007 . 3 . . . . . 22 TRP HZ2 . 6850 1 225 . 1 1 22 22 TRP HZ3 H 1 6.531 0.001 . 3 . . . . . 22 TRP HZ3 . 6850 1 226 . 1 1 22 22 TRP HH2 H 1 6.829 0.002 . 1 . . . . . 22 TRP HH2 . 6850 1 227 . 1 1 22 22 TRP CA C 13 56.348 0.000 . 1 . . . . . 22 TRP CA . 6850 1 228 . 1 1 22 22 TRP CB C 13 25.963 0.000 . 1 . . . . . 22 TRP CB . 6850 1 229 . 1 1 22 22 TRP N N 15 124.476 0.000 . 1 . . . . . 22 TRP N . 6850 1 230 . 1 1 22 22 TRP NE1 N 15 131.607 0.000 . 1 . . . . . 22 TRP NE1 . 6850 1 231 . 1 1 23 23 SER H H 1 7.452 0.001 . 1 . . . . . 23 SER H . 6850 1 232 . 1 1 23 23 SER HA H 1 4.892 0.008 . 1 . . . . . 23 SER HA . 6850 1 233 . 1 1 23 23 SER HB2 H 1 4.2475 0.019 . 2 . . . . . 23 SER HB2 . 6850 1 234 . 1 1 23 23 SER HB3 H 1 3.9395 0.013 . 2 . . . . . 23 SER HB3 . 6850 1 235 . 1 1 23 23 SER CA C 13 53.405 0.000 . 1 . . . . . 23 SER CA . 6850 1 236 . 1 1 23 23 SER CB C 13 63.442 0.000 . 1 . . . . . 23 SER CB . 6850 1 237 . 1 1 23 23 SER N N 15 113.817 0.000 . 1 . . . . . 23 SER N . 6850 1 238 . 1 1 24 24 PHE H H 1 9.565 0.000 . 1 . . . . . 24 PHE H . 6850 1 239 . 1 1 24 24 PHE HA H 1 3.7045 0.031 . 1 . . . . . 24 PHE HA . 6850 1 240 . 1 1 24 24 PHE HB2 H 1 3.18 0.002 . 2 . . . . . 24 PHE HB2 . 6850 1 241 . 1 1 24 24 PHE HB3 H 1 2.9135 0.011 . 2 . . . . . 24 PHE HB3 . 6850 1 242 . 1 1 24 24 PHE HD1 H 1 6.902 0.022 . 3 . . . . . 24 PHE HD1 . 6850 1 243 . 1 1 24 24 PHE HE1 H 1 7.053 0.008 . 3 . . . . . 24 PHE HE1 . 6850 1 244 . 1 1 24 24 PHE HZ H 1 7.192 0.003 . 1 . . . . . 24 PHE HZ . 6850 1 245 . 1 1 24 24 PHE CA C 13 58.654 0.000 . 1 . . . . . 24 PHE CA . 6850 1 246 . 1 1 24 24 PHE CB C 13 35.641 0.000 . 1 . . . . . 24 PHE CB . 6850 1 247 . 1 1 24 24 PHE N N 15 123.379 0.000 . 1 . . . . . 24 PHE N . 6850 1 248 . 1 1 25 25 SER H H 1 8.321 0.002 . 1 . . . . . 25 SER H . 6850 1 249 . 1 1 25 25 SER HA H 1 3.8015 0.011 . 1 . . . . . 25 SER HA . 6850 1 250 . 1 1 25 25 SER HB2 H 1 3.745 0.008 . 2 . . . . . 25 SER HB2 . 6850 1 251 . 1 1 25 25 SER CA C 13 58.528 0.000 . 4 . . . . . 25 SER CA . 6850 1 252 . 1 1 25 25 SER CB C 13 58.528 0.000 . 4 . . . . . 25 SER CB . 6850 1 253 . 1 1 25 25 SER N N 15 112.014 0.000 . 1 . . . . . 25 SER N . 6850 1 254 . 1 1 26 26 ARG H H 1 7.555 0.000 . 1 . . . . . 26 ARG H . 6850 1 255 . 1 1 26 26 ARG HA H 1 4.033 0.006 . 1 . . . . . 26 ARG HA . 6850 1 256 . 1 1 26 26 ARG HB2 H 1 1.8255 0.011 . 2 . . . . . 26 ARG HB2 . 6850 1 257 . 1 1 26 26 ARG HB3 H 1 1.68 0.012 . 2 . . . . . 26 ARG HB3 . 6850 1 258 . 1 1 26 26 ARG HG2 H 1 1.334 0.028 . 2 . . . . . 26 ARG HG2 . 6850 1 259 . 1 1 26 26 ARG HG3 H 1 1.0505 0.003 . 2 . . . . . 26 ARG HG3 . 6850 1 260 . 1 1 26 26 ARG HD2 H 1 2.602 0.022 . 2 . . . . . 26 ARG HD2 . 6850 1 261 . 1 1 26 26 ARG HD3 H 1 1.680 0.009 . 2 . . . . . 26 ARG HD3 . 6850 1 262 . 1 1 26 26 ARG HE H 1 6.171 0.000 . 1 . . . . . 26 ARG HE . 6850 1 263 . 1 1 26 26 ARG CA C 13 56.260 0.000 . 1 . . . . . 26 ARG CA . 6850 1 264 . 1 1 26 26 ARG CB C 13 28.081 0.000 . 1 . . . . . 26 ARG CB . 6850 1 265 . 1 1 26 26 ARG CG C 13 25.134 0.000 . 1 . . . . . 26 ARG CG . 6850 1 266 . 1 1 26 26 ARG CD C 13 41.529 0.101 . 1 . . . . . 26 ARG CD . 6850 1 267 . 1 1 26 26 ARG N N 15 123.324 0.000 . 1 . . . . . 26 ARG N . 6850 1 268 . 1 1 26 26 ARG NE N 15 117.348 0.000 . 1 . . . . . 26 ARG NE . 6850 1 269 . 1 1 27 27 ILE H H 1 7.424 0.002 . 1 . . . . . 27 ILE H . 6850 1 270 . 1 1 27 27 ILE HA H 1 3.56 0.018 . 1 . . . . . 27 ILE HA . 6850 1 271 . 1 1 27 27 ILE HB H 1 1.984 0.002 . 1 . . . . . 27 ILE HB . 6850 1 272 . 1 1 27 27 ILE HG12 H 1 1.1225 0.011 . 1 . . . . . 27 ILE HG12 . 6850 1 273 . 1 1 27 27 ILE HG13 H 1 0.885 0.006 . 1 . . . . . 27 ILE HG13 . 6850 1 274 . 1 1 27 27 ILE HG21 H 1 0.569 0.012 . 1 . . . . . 27 ILE QG2 . 6850 1 275 . 1 1 27 27 ILE HG22 H 1 0.569 0.012 . 1 . . . . . 27 ILE QG2 . 6850 1 276 . 1 1 27 27 ILE HG23 H 1 0.569 0.012 . 1 . . . . . 27 ILE QG2 . 6850 1 277 . 1 1 27 27 ILE HD11 H 1 0.3245 0.003 . 1 . . . . . 27 ILE HD1 . 6850 1 278 . 1 1 27 27 ILE HD12 H 1 0.3245 0.003 . 1 . . . . . 27 ILE HD1 . 6850 1 279 . 1 1 27 27 ILE HD13 H 1 0.3245 0.003 . 1 . . . . . 27 ILE HD1 . 6850 1 280 . 1 1 27 27 ILE CA C 13 61.785 0.000 . 1 . . . . . 27 ILE CA . 6850 1 281 . 1 1 27 27 ILE CB C 13 32.409 0.000 . 1 . . . . . 27 ILE CB . 6850 1 282 . 1 1 27 27 ILE CG1 C 13 24.858 0.000 . 1 . . . . . 27 ILE CG1 . 6850 1 283 . 1 1 27 27 ILE CG2 C 13 15.465 0.000 . 1 . . . . . 27 ILE CG2 . 6850 1 284 . 1 1 27 27 ILE CD1 C 13 10.028 0.000 . 1 . . . . . 27 ILE CD1 . 6850 1 285 . 1 1 27 27 ILE N N 15 120.058 0.000 . 1 . . . . . 27 ILE N . 6850 1 286 . 1 1 28 28 ILE H H 1 7.347 0.000 . 1 . . . . . 28 ILE H . 6850 1 287 . 1 1 28 28 ILE HA H 1 2.8855 0.051 . 1 . . . . . 28 ILE HA . 6850 1 288 . 1 1 28 28 ILE HB H 1 1.5815 0.163 . 1 . . . . . 28 ILE HB . 6850 1 289 . 1 1 28 28 ILE HG12 H 1 0.8385 0.001 . 1 . . . . . 28 ILE HG12 . 6850 1 290 . 1 1 28 28 ILE HG13 H 1 0.72 0.008 . 1 . . . . . 28 ILE HG13 . 6850 1 291 . 1 1 28 28 ILE HG21 H 1 0.5955 0.011 . 1 . . . . . 28 ILE QG2 . 6850 1 292 . 1 1 28 28 ILE HG22 H 1 0.5955 0.011 . 1 . . . . . 28 ILE QG2 . 6850 1 293 . 1 1 28 28 ILE HG23 H 1 0.5955 0.011 . 1 . . . . . 28 ILE QG2 . 6850 1 294 . 1 1 28 28 ILE HD11 H 1 0.6065 0.001 . 1 . . . . . 28 ILE HD1 . 6850 1 295 . 1 1 28 28 ILE HD12 H 1 0.6065 0.001 . 1 . . . . . 28 ILE HD1 . 6850 1 296 . 1 1 28 28 ILE HD13 H 1 0.6065 0.001 . 1 . . . . . 28 ILE HD1 . 6850 1 297 . 1 1 28 28 ILE CA C 13 62.890 0.000 . 1 . . . . . 28 ILE CA . 6850 1 298 . 1 1 28 28 ILE CB C 13 35.641 0.000 . 1 . . . . . 28 ILE CB . 6850 1 299 . 1 1 28 28 ILE CG1 C 13 24.673 0.000 . 1 . . . . . 28 ILE CG1 . 6850 1 300 . 1 1 28 28 ILE CG2 C 13 15.557 0.000 . 1 . . . . . 28 ILE CG2 . 6850 1 301 . 1 1 28 28 ILE CD1 C 13 11.663 0.000 . 1 . . . . . 28 ILE CD1 . 6850 1 302 . 1 1 28 28 ILE N N 15 117.371 0.000 . 1 . . . . . 28 ILE N . 6850 1 303 . 1 1 29 29 SER H H 1 7.798 0.000 . 1 . . . . . 29 SER H . 6850 1 304 . 1 1 29 29 SER HA H 1 3.992 0.03 . 1 . . . . . 29 SER HA . 6850 1 305 . 1 1 29 29 SER HB2 H 1 3.702 0.06 . 2 . . . . . 29 SER HB2 . 6850 1 306 . 1 1 29 29 SER CA C 13 58.670 0.000 . 1 . . . . . 29 SER CA . 6850 1 307 . 1 1 29 29 SER CB C 13 60.561 0.000 . 1 . . . . . 29 SER CB . 6850 1 308 . 1 1 29 29 SER N N 15 112.216 0.000 . 1 . . . . . 29 SER N . 6850 1 309 . 1 1 30 30 GLU H H 1 8.695 0.000 . 1 . . . . . 30 GLU H . 6850 1 310 . 1 1 30 30 GLU HA H 1 4.2075 0.005 . 1 . . . . . 30 GLU HA . 6850 1 311 . 1 1 30 30 GLU HB2 H 1 1.9765 0.013 . 2 . . . . . 30 GLU HB2 . 6850 1 312 . 1 1 30 30 GLU HG2 H 1 2.152 0 . 2 . . . . . 30 GLU HG2 . 6850 1 313 . 1 1 30 30 GLU HG3 H 1 1.9905 0.001 . 2 . . . . . 30 GLU HG3 . 6850 1 314 . 1 1 30 30 GLU CA C 13 55.983 0.000 . 1 . . . . . 30 GLU CA . 6850 1 315 . 1 1 30 30 GLU CB C 13 28.081 0.000 . 1 . . . . . 30 GLU CB . 6850 1 316 . 1 1 30 30 GLU CG C 13 34.435 0.000 . 1 . . . . . 30 GLU CG . 6850 1 317 . 1 1 30 30 GLU N N 15 120.763 0.000 . 1 . . . . . 30 GLU N . 6850 1 318 . 1 1 31 31 LEU H H 1 7.561 0.001 . 1 . . . . . 31 LEU H . 6850 1 319 . 1 1 31 31 LEU HA H 1 4.2585 0.001 . 1 . . . . . 31 LEU HA . 6850 1 320 . 1 1 31 31 LEU HB2 H 1 1.835 0.006 . 2 . . . . . 31 LEU HB2 . 6850 1 321 . 1 1 31 31 LEU HB3 H 1 1.456 0.004 . 2 . . . . . 31 LEU HB3 . 6850 1 322 . 1 1 31 31 LEU HG H 1 1.6485 0.001 . 1 . . . . . 31 LEU HG . 6850 1 323 . 1 1 31 31 LEU HD11 H 1 0.628 0.002 . 2 . . . . . 31 LEU HD1 . 6850 1 324 . 1 1 31 31 LEU HD12 H 1 0.628 0.002 . 2 . . . . . 31 LEU HD1 . 6850 1 325 . 1 1 31 31 LEU HD13 H 1 0.628 0.002 . 2 . . . . . 31 LEU HD1 . 6850 1 326 . 1 1 31 31 LEU HD21 H 1 0.4845 0.001 . 2 . . . . . 31 LEU HD2 . 6850 1 327 . 1 1 31 31 LEU HD22 H 1 0.4845 0.001 . 2 . . . . . 31 LEU HD2 . 6850 1 328 . 1 1 31 31 LEU HD23 H 1 0.4845 0.001 . 2 . . . . . 31 LEU HD2 . 6850 1 329 . 1 1 31 31 LEU CA C 13 54.234 0.000 . 1 . . . . . 31 LEU CA . 6850 1 330 . 1 1 31 31 LEU CB C 13 37.458 0.000 . 1 . . . . . 31 LEU CB . 6850 1 331 . 1 1 31 31 LEU CG C 13 24.700 0.000 . 1 . . . . . 31 LEU CG . 6850 1 332 . 1 1 31 31 LEU CD1 C 13 21.174 0.000 . 2 . . . . . 31 LEU CD1 . 6850 1 333 . 1 1 31 31 LEU CD2 C 13 23.110 0.000 . 2 . . . . . 31 LEU CD2 . 6850 1 334 . 1 1 31 31 LEU N N 15 115.941 0.000 . 1 . . . . . 31 LEU N . 6850 1 335 . 1 1 32 32 GLY H H 1 7.688 0.000 . 1 . . . . . 32 GLY H . 6850 1 336 . 1 1 32 32 GLY HA2 H 1 3.124 0.03 . 2 . . . . . 32 GLY HA1 . 6850 1 337 . 1 1 32 32 GLY CA C 13 44.447 0.000 . 1 . . . . . 32 GLY CA . 6850 1 338 . 1 1 32 32 GLY N N 15 105.886 0.000 . 1 . . . . . 32 GLY N . 6850 1 339 . 1 1 33 33 THR H H 1 6.835 0.000 . 1 . . . . . 33 THR H . 6850 1 340 . 1 1 33 33 THR HA H 1 4.232 0.008 . 1 . . . . . 33 THR HA . 6850 1 341 . 1 1 33 33 THR HB H 1 4.171 0 . 1 . . . . . 33 THR HB . 6850 1 342 . 1 1 33 33 THR HG21 H 1 1.157 0.002 . 1 . . . . . 33 THR HG2 . 6850 1 343 . 1 1 33 33 THR HG22 H 1 1.157 0.002 . 1 . . . . . 33 THR HG2 . 6850 1 344 . 1 1 33 33 THR HG23 H 1 1.157 0.002 . 1 . . . . . 33 THR HG2 . 6850 1 345 . 1 1 33 33 THR CA C 13 60.708 0.000 . 1 . . . . . 33 THR CA . 6850 1 346 . 1 1 33 33 THR CB C 13 67.402 0.000 . 1 . . . . . 33 THR CB . 6850 1 347 . 1 1 33 33 THR CG2 C 13 19.977 0.000 . 1 . . . . . 33 THR CG2 . 6850 1 348 . 1 1 33 33 THR N N 15 107.668 0.000 . 1 . . . . . 33 THR N . 6850 1 349 . 1 1 34 34 ARG H H 1 7.358 0.003 . 1 . . . . . 34 ARG H . 6850 1 350 . 1 1 34 34 ARG HA H 1 4.549 0 . 1 . . . . . 34 ARG HA . 6850 1 351 . 1 1 34 34 ARG HB2 H 1 1.725 0.004 . 2 . . . . . 34 ARG HB2 . 6850 1 352 . 1 1 34 34 ARG HG2 H 1 1.565 0.006 . 2 . . . . . 34 ARG HG2 . 6850 1 353 . 1 1 34 34 ARG HD2 H 1 3.0945 0.011 . 2 . . . . . 34 ARG HD2 . 6850 1 354 . 1 1 34 34 ARG HE H 1 7.113 0.000 . 1 . . . . . 34 ARG HE . 6850 1 355 . 1 1 34 34 ARG CA C 13 54.501 0.000 . 1 . . . . . 34 ARG CA . 6850 1 356 . 1 1 34 34 ARG CB C 13 30.475 0.000 . 1 . . . . . 34 ARG CB . 6850 1 357 . 1 1 34 34 ARG CG C 13 24.489 0.000 . 1 . . . . . 34 ARG CG . 6850 1 358 . 1 1 34 34 ARG CD C 13 41.249 0.000 . 1 . . . . . 34 ARG CD . 6850 1 359 . 1 1 34 34 ARG N N 15 117.935 0.000 . 1 . . . . . 34 ARG N . 6850 1 360 . 1 1 34 34 ARG NE N 15 118.230 0.000 . 1 . . . . . 34 ARG NE . 6850 1 361 . 1 1 35 35 ASP H H 1 8.405 0.000 . 1 . . . . . 35 ASP H . 6850 1 362 . 1 1 35 35 ASP HA H 1 5.1215 0.019 . 1 . . . . . 35 ASP HA . 6850 1 363 . 1 1 35 35 ASP HB2 H 1 3.196 0 . 2 . . . . . 35 ASP HB2 . 6850 1 364 . 1 1 35 35 ASP HB3 H 1 2.148 0.016 . 2 . . . . . 35 ASP HB3 . 6850 1 365 . 1 1 35 35 ASP CA C 13 48.719 0.000 . 1 . . . . . 35 ASP CA . 6850 1 366 . 1 1 35 35 ASP CB C 13 42.180 0.000 . 1 . . . . . 35 ASP CB . 6850 1 367 . 1 1 35 35 ASP N N 15 122.893 0.000 . 1 . . . . . 35 ASP N . 6850 1 368 . 1 1 36 36 PRO HA H 1 4.1745 0.005 . 1 . . . . . 36 PRO HA . 6850 1 369 . 1 1 36 36 PRO HB2 H 1 2.2795 0.019 . 2 . . . . . 36 PRO HB2 . 6850 1 370 . 1 1 36 36 PRO HG2 H 1 1.889 0.000 . 2 . . . . . 36 PRO HG2 . 6850 1 371 . 1 1 36 36 PRO HD2 H 1 3.7955 0.119 . 2 . . . . . 36 PRO HD2 . 6850 1 372 . 1 1 36 36 PRO HD3 H 1 3.820 0.000 . 2 . . . . . 36 PRO HD3 . 6850 1 373 . 1 1 36 36 PRO CA C 13 62.256 0.000 . 1 . . . . . 36 PRO CA . 6850 1 374 . 1 1 36 36 PRO CB C 13 29.646 0.000 . 1 . . . . . 36 PRO CB . 6850 1 375 . 1 1 36 36 PRO CG C 13 25.042 0.000 . 1 . . . . . 36 PRO CG . 6850 1 376 . 1 1 36 36 PRO CD C 13 48.719 0.000 . 1 . . . . . 36 PRO CD . 6850 1 377 . 1 1 37 37 ARG H H 1 8.716 0.000 . 1 . . . . . 37 ARG H . 6850 1 378 . 1 1 37 37 ARG HA H 1 3.9475 0.011 . 1 . . . . . 37 ARG HA . 6850 1 379 . 1 1 37 37 ARG HB2 H 1 1.862 0.094 . 2 . . . . . 37 ARG HB2 . 6850 1 380 . 1 1 37 37 ARG HB3 H 1 1.4505 0.005 . 2 . . . . . 37 ARG HB3 . 6850 1 381 . 1 1 37 37 ARG HG2 H 1 1.778 0.002 . 2 . . . . . 37 ARG HG2 . 6850 1 382 . 1 1 37 37 ARG HG3 H 1 1.566 0.008 . 2 . . . . . 37 ARG HG3 . 6850 1 383 . 1 1 37 37 ARG HD2 H 1 3.195 0.024 . 2 . . . . . 37 ARG HD2 . 6850 1 384 . 1 1 37 37 ARG HD3 H 1 3.037 0.02 . 2 . . . . . 37 ARG HD3 . 6850 1 385 . 1 1 37 37 ARG HE H 1 7.906 0.000 . 1 . . . . . 37 ARG HE . 6850 1 386 . 1 1 37 37 ARG CA C 13 56.340 0.000 . 1 . . . . . 37 ARG CA . 6850 1 387 . 1 1 37 37 ARG CB C 13 27.204 0.000 . 1 . . . . . 37 ARG CB . 6850 1 388 . 1 1 37 37 ARG CG C 13 24.766 0.000 . 1 . . . . . 37 ARG CG . 6850 1 389 . 1 1 37 37 ARG CD C 13 40.881 0.000 . 1 . . . . . 37 ARG CD . 6850 1 390 . 1 1 37 37 ARG N N 15 118.462 0.000 . 1 . . . . . 37 ARG N . 6850 1 391 . 1 1 37 37 ARG NE N 15 117.194 0.000 . 1 . . . . . 37 ARG NE . 6850 1 392 . 1 1 38 38 TYR H H 1 7.825 0.000 . 1 . . . . . 38 TYR H . 6850 1 393 . 1 1 38 38 TYR HA H 1 3.7735 0.005 . 1 . . . . . 38 TYR HA . 6850 1 394 . 1 1 38 38 TYR HB2 H 1 2.539 0.004 . 2 . . . . . 38 TYR HB2 . 6850 1 395 . 1 1 38 38 TYR HD1 H 1 5.660 0.002 . 3 . . . . . 38 TYR HD1 . 6850 1 396 . 1 1 38 38 TYR HE1 H 1 6.013 0.005 . 3 . . . . . 38 TYR HE1 . 6850 1 397 . 1 1 38 38 TYR CA C 13 57.983 0.000 . 1 . . . . . 38 TYR CA . 6850 1 398 . 1 1 38 38 TYR CB C 13 36.553 0.000 . 1 . . . . . 38 TYR CB . 6850 1 399 . 1 1 38 38 TYR N N 15 118.000 0.000 . 1 . . . . . 38 TYR N . 6850 1 400 . 1 1 39 39 TRP H H 1 7.148 0.000 . 1 . . . . . 39 TRP H . 6850 1 401 . 1 1 39 39 TRP HA H 1 4.74 0.012 . 1 . . . . . 39 TRP HA . 6850 1 402 . 1 1 39 39 TRP HB2 H 1 3.5805 0.011 . 2 . . . . . 39 TRP HB2 . 6850 1 403 . 1 1 39 39 TRP HB3 H 1 2.983 0.024 . 2 . . . . . 39 TRP HB3 . 6850 1 404 . 1 1 39 39 TRP HD1 H 1 7.234 0.036 . 1 . . . . . 39 TRP HD1 . 6850 1 405 . 1 1 39 39 TRP HE1 H 1 10.384 0.000 . 1 . . . . . 39 TRP HE1 . 6850 1 406 . 1 1 39 39 TRP HE3 H 1 7.673 0.001 . 1 . . . . . 39 TRP HE3 . 6850 1 407 . 1 1 39 39 TRP HZ2 H 1 7.2015 0.001 . 3 . . . . . 39 TRP HZ2 . 6850 1 408 . 1 1 39 39 TRP HZ3 H 1 7.081 0.000 . 3 . . . . . 39 TRP HZ3 . 6850 1 409 . 1 1 39 39 TRP HH2 H 1 7.3965 0.005 . 1 . . . . . 39 TRP HH2 . 6850 1 410 . 1 1 39 39 TRP CA C 13 53.497 0.000 . 1 . . . . . 39 TRP CA . 6850 1 411 . 1 1 39 39 TRP CB C 13 27.344 0.000 . 1 . . . . . 39 TRP CB . 6850 1 412 . 1 1 39 39 TRP N N 15 115.161 0.000 . 1 . . . . . 39 TRP N . 6850 1 413 . 1 1 39 39 TRP NE1 N 15 129.758 0.000 . 1 . . . . . 39 TRP NE1 . 6850 1 414 . 1 1 40 40 MET H H 1 7.430 0.000 . 1 . . . . . 40 MET H . 6850 1 415 . 1 1 40 40 MET HA H 1 4.248 0.016 . 1 . . . . . 40 MET HA . 6850 1 416 . 1 1 40 40 MET HB2 H 1 2.009 0.002 . 2 . . . . . 40 MET HB2 . 6850 1 417 . 1 1 40 40 MET HB3 H 1 2.037 0 . 2 . . . . . 40 MET HB3 . 6850 1 418 . 1 1 40 40 MET HG2 H 1 2.433 0 . 1 . . . . . 40 MET HG2 . 6850 1 419 . 1 1 40 40 MET HE1 H 1 1.8975 0.019 . 1 . . . . . 40 MET HE . 6850 1 420 . 1 1 40 40 MET HE2 H 1 1.8975 0.019 . 1 . . . . . 40 MET HE . 6850 1 421 . 1 1 40 40 MET HE3 H 1 1.8975 0.019 . 1 . . . . . 40 MET HE . 6850 1 422 . 1 1 40 40 MET CA C 13 55.258 0.000 . 1 . . . . . 40 MET CA . 6850 1 423 . 1 1 40 40 MET CB C 13 30.475 0.000 . 1 . . . . . 40 MET CB . 6850 1 424 . 1 1 40 40 MET CG C 13 30.475 0.000 . 1 . . . . . 40 MET CG . 6850 1 425 . 1 1 40 40 MET CE C 13 14.933 0.000 . 1 . . . . . 40 MET CE . 6850 1 426 . 1 1 40 40 MET N N 15 119.238 0.000 . 1 . . . . . 40 MET N . 6850 1 427 . 1 1 41 41 VAL H H 1 7.218 0.000 . 1 . . . . . 41 VAL H . 6850 1 428 . 1 1 41 41 VAL HA H 1 3.9625 0.005 . 1 . . . . . 41 VAL HA . 6850 1 429 . 1 1 41 41 VAL HB H 1 1.825 0.016 . 1 . . . . . 41 VAL HB . 6850 1 430 . 1 1 41 41 VAL HG11 H 1 0.6205 0.005 . 2 . . . . . 41 VAL HG1 . 6850 1 431 . 1 1 41 41 VAL HG12 H 1 0.6205 0.005 . 2 . . . . . 41 VAL HG1 . 6850 1 432 . 1 1 41 41 VAL HG13 H 1 0.6205 0.005 . 2 . . . . . 41 VAL HG1 . 6850 1 433 . 1 1 41 41 VAL HG21 H 1 0.414 0.01 . 2 . . . . . 41 VAL HG2 . 6850 1 434 . 1 1 41 41 VAL HG22 H 1 0.414 0.01 . 2 . . . . . 41 VAL HG2 . 6850 1 435 . 1 1 41 41 VAL HG23 H 1 0.414 0.01 . 2 . . . . . 41 VAL HG2 . 6850 1 436 . 1 1 41 41 VAL CA C 13 58.491 0.000 . 1 . . . . . 41 VAL CA . 6850 1 437 . 1 1 41 41 VAL CB C 13 30.074 0.000 . 1 . . . . . 41 VAL CB . 6850 1 438 . 1 1 41 41 VAL CG1 C 13 19.300 0.000 . 2 . . . . . 41 VAL CG1 . 6850 1 439 . 1 1 41 41 VAL CG2 C 13 17.600 0.000 . 2 . . . . . 41 VAL CG2 . 6850 1 440 . 1 1 41 41 VAL N N 15 114.076 0.000 . 1 . . . . . 41 VAL N . 6850 1 441 . 1 1 42 42 ASP H H 1 8.065 0.000 . 1 . . . . . 42 ASP H . 6850 1 442 . 1 1 42 42 ASP HA H 1 4.287 0.014 . 1 . . . . . 42 ASP HA . 6850 1 443 . 1 1 42 42 ASP HB2 H 1 2.3935 0.003 . 2 . . . . . 42 ASP HB2 . 6850 1 444 . 1 1 42 42 ASP HB3 H 1 2.3365 0.023 . 2 . . . . . 42 ASP HB3 . 6850 1 445 . 1 1 42 42 ASP CA C 13 52.609 0.000 . 1 . . . . . 42 ASP CA . 6850 1 446 . 1 1 42 42 ASP CB C 13 38.426 0.061 . 1 . . . . . 42 ASP CB . 6850 1 447 . 1 1 42 42 ASP N N 15 122.450 0.000 . 1 . . . . . 42 ASP N . 6850 1 448 . 1 1 43 43 ASP H H 1 8.153 0.000 . 1 . . . . . 43 ASP H . 6850 1 449 . 1 1 43 43 ASP HA H 1 4.4145 0.007 . 1 . . . . . 43 ASP HA . 6850 1 450 . 1 1 43 43 ASP HB2 H 1 2.6645 0.069 . 2 . . . . . 43 ASP HB2 . 6850 1 451 . 1 1 43 43 ASP HB3 H 1 2.556 0 . 2 . . . . . 43 ASP HB3 . 6850 1 452 . 1 1 43 43 ASP CA C 13 51.968 0.000 . 1 . . . . . 43 ASP CA . 6850 1 453 . 1 1 43 43 ASP CB C 13 38.166 0.000 . 1 . . . . . 43 ASP CB . 6850 1 454 . 1 1 43 43 ASP N N 15 119.791 0.000 . 1 . . . . . 43 ASP N . 6850 1 455 . 1 1 44 44 ASP H H 1 7.821 0.000 . 1 . . . . . 44 ASP H . 6850 1 456 . 1 1 44 44 ASP HA H 1 4.8415 0.015 . 1 . . . . . 44 ASP HA . 6850 1 457 . 1 1 44 44 ASP HB2 H 1 2.7735 0.017 . 2 . . . . . 44 ASP HB2 . 6850 1 458 . 1 1 44 44 ASP HB3 H 1 2.415 0.018 . 2 . . . . . 44 ASP HB3 . 6850 1 459 . 1 1 44 44 ASP CA C 13 48.432 0.000 . 1 . . . . . 44 ASP CA . 6850 1 460 . 1 1 44 44 ASP CB C 13 39.455 0.000 . 1 . . . . . 44 ASP CB . 6850 1 461 . 1 1 44 44 ASP N N 15 121.142 0.000 . 1 . . . . . 44 ASP N . 6850 1 462 . 1 1 45 45 PRO HA H 1 4.1935 0.005 . 1 . . . . . 45 PRO HA . 6850 1 463 . 1 1 45 45 PRO HB2 H 1 2.4025 0.005 . 2 . . . . . 45 PRO HB2 . 6850 1 464 . 1 1 45 45 PRO HB3 H 1 1.983 0.006 . 2 . . . . . 45 PRO HB3 . 6850 1 465 . 1 1 45 45 PRO HG2 H 1 2.0185 0.001 . 2 . . . . . 45 PRO HG2 . 6850 1 466 . 1 1 45 45 PRO HD2 H 1 3.849 0.124 . 2 . . . . . 45 PRO HD2 . 6850 1 467 . 1 1 45 45 PRO HD3 H 1 3.765 0.001 . 2 . . . . . 45 PRO HD3 . 6850 1 468 . 1 1 45 45 PRO CA C 13 62.340 0.000 . 1 . . . . . 45 PRO CA . 6850 1 469 . 1 1 45 45 PRO CB C 13 30.247 0.050 . 1 . . . . . 45 PRO CB . 6850 1 470 . 1 1 45 45 PRO CG C 13 25.287 0.000 . 1 . . . . . 45 PRO CG . 6850 1 471 . 1 1 45 45 PRO CD C 13 48.432 0.000 . 1 . . . . . 45 PRO CD . 6850 1 472 . 1 1 46 46 LEU H H 1 7.938 0.000 . 1 . . . . . 46 LEU H . 6850 1 473 . 1 1 46 46 LEU HA H 1 3.929 0.002 . 1 . . . . . 46 LEU HA . 6850 1 474 . 1 1 46 46 LEU HB2 H 1 1.7655 0.005 . 2 . . . . . 46 LEU HB2 . 6850 1 475 . 1 1 46 46 LEU HB3 H 1 1.479 0.02 . 2 . . . . . 46 LEU HB3 . 6850 1 476 . 1 1 46 46 LEU HG H 1 1.534 0.004 . 1 . . . . . 46 LEU HG . 6850 1 477 . 1 1 46 46 LEU HD11 H 1 0.8135 0.033 . 2 . . . . . 46 LEU HD1 . 6850 1 478 . 1 1 46 46 LEU HD12 H 1 0.8135 0.033 . 2 . . . . . 46 LEU HD1 . 6850 1 479 . 1 1 46 46 LEU HD13 H 1 0.8135 0.033 . 2 . . . . . 46 LEU HD1 . 6850 1 480 . 1 1 46 46 LEU HD21 H 1 0.745 0.004 . 2 . . . . . 46 LEU HD2 . 6850 1 481 . 1 1 46 46 LEU HD22 H 1 0.745 0.004 . 2 . . . . . 46 LEU HD2 . 6850 1 482 . 1 1 46 46 LEU HD23 H 1 0.745 0.004 . 2 . . . . . 46 LEU HD2 . 6850 1 483 . 1 1 46 46 LEU CA C 13 55.615 0.000 . 1 . . . . . 46 LEU CA . 6850 1 484 . 1 1 46 46 LEU CB C 13 38.385 0.014 . 1 . . . . . 46 LEU CB . 6850 1 485 . 1 1 46 46 LEU CG C 13 25.410 0.000 . 1 . . . . . 46 LEU CG . 6850 1 486 . 1 1 46 46 LEU CD1 C 13 22.562 0.000 . 2 . . . . . 46 LEU CD1 . 6850 1 487 . 1 1 46 46 LEU CD2 C 13 20.927 0.000 . 2 . . . . . 46 LEU CD2 . 6850 1 488 . 1 1 46 46 LEU N N 15 118.758 0.000 . 1 . . . . . 46 LEU N . 6850 1 489 . 1 1 47 47 TRP H H 1 7.422 0.004 . 1 . . . . . 47 TRP H . 6850 1 490 . 1 1 47 47 TRP HA H 1 4.1625 0.035 . 1 . . . . . 47 TRP HA . 6850 1 491 . 1 1 47 47 TRP HB2 H 1 3.0985 0.011 . 2 . . . . . 47 TRP HB2 . 6850 1 492 . 1 1 47 47 TRP HD1 H 1 7.1045 0.009 . 1 . . . . . 47 TRP HD1 . 6850 1 493 . 1 1 47 47 TRP HE1 H 1 10.152 0.000 . 1 . . . . . 47 TRP HE1 . 6850 1 494 . 1 1 47 47 TRP HE3 H 1 7.013 0.004 . 1 . . . . . 47 TRP HE3 . 6850 1 495 . 1 1 47 47 TRP HZ2 H 1 7.1695 0.007 . 3 . . . . . 47 TRP HZ2 . 6850 1 496 . 1 1 47 47 TRP HZ3 H 1 6.307 0.000 . 3 . . . . . 47 TRP HZ3 . 6850 1 497 . 1 1 47 47 TRP HH2 H 1 6.7545 0.019 . 1 . . . . . 47 TRP HH2 . 6850 1 498 . 1 1 47 47 TRP CA C 13 57.438 0.000 . 1 . . . . . 47 TRP CA . 6850 1 499 . 1 1 47 47 TRP CB C 13 26.423 0.000 . 1 . . . . . 47 TRP CB . 6850 1 500 . 1 1 47 47 TRP N N 15 121.943 0.000 . 1 . . . . . 47 TRP N . 6850 1 501 . 1 1 47 47 TRP NE1 N 15 130.177 0.000 . 1 . . . . . 47 TRP NE1 . 6850 1 502 . 1 1 48 48 LYS H H 1 7.544 0.000 . 1 . . . . . 48 LYS H . 6850 1 503 . 1 1 48 48 LYS HA H 1 2.8985 0.003 . 1 . . . . . 48 LYS HA . 6850 1 504 . 1 1 48 48 LYS HB2 H 1 1.7265 0.273 . 2 . . . . . 48 LYS HB2 . 6850 1 505 . 1 1 48 48 LYS HB3 H 1 1.479 0.000 . 2 . . . . . 48 LYS HB3 . 6850 1 506 . 1 1 48 48 LYS HG2 H 1 0.521 0.014 . 2 . . . . . 48 LYS HG2 . 6850 1 507 . 1 1 48 48 LYS HD2 H 1 1.2285 0.001 . 2 . . . . . 48 LYS HD2 . 6850 1 508 . 1 1 48 48 LYS HD3 H 1 0.835 0.004 . 2 . . . . . 48 LYS HD3 . 6850 1 509 . 1 1 48 48 LYS HE2 H 1 2.587 0.000 . 2 . . . . . 48 LYS HE2 . 6850 1 510 . 1 1 48 48 LYS HE3 H 1 2.419 0.000 . 2 . . . . . 48 LYS HE3 . 6850 1 511 . 1 1 48 48 LYS CA C 13 57.983 0.000 . 1 . . . . . 48 LYS CA . 6850 1 512 . 1 1 48 48 LYS CB C 13 30.191 0.000 . 1 . . . . . 48 LYS CB . 6850 1 513 . 1 1 48 48 LYS CG C 13 24.766 0.000 . 1 . . . . . 48 LYS CG . 6850 1 514 . 1 1 48 48 LYS CD C 13 26.300 0.000 . 1 . . . . . 48 LYS CD . 6850 1 515 . 1 1 48 48 LYS CE C 13 40.236 0.000 . 1 . . . . . 48 LYS CE . 6850 1 516 . 1 1 48 48 LYS N N 15 116.935 0.000 . 1 . . . . . 48 LYS N . 6850 1 517 . 1 1 49 49 LYS H H 1 7.620 0.000 . 1 . . . . . 49 LYS H . 6850 1 518 . 1 1 49 49 LYS HA H 1 3.235 0 . 1 . . . . . 49 LYS HA . 6850 1 519 . 1 1 49 49 LYS HB2 H 1 1.4565 0.009 . 2 . . . . . 49 LYS HB2 . 6850 1 520 . 1 1 49 49 LYS HB3 H 1 0.7125 0.027 . 2 . . . . . 49 LYS HB3 . 6850 1 521 . 1 1 49 49 LYS HG2 H 1 0.967 0.014 . 2 . . . . . 49 LYS HG2 . 6850 1 522 . 1 1 49 49 LYS HG3 H 1 0.747 0.026 . 2 . . . . . 49 LYS HG3 . 6850 1 523 . 1 1 49 49 LYS HD2 H 1 1.288 0 . 2 . . . . . 49 LYS HD2 . 6850 1 524 . 1 1 49 49 LYS HE2 H 1 2.742 0.000 . 2 . . . . . 49 LYS HE2 . 6850 1 525 . 1 1 49 49 LYS CA C 13 58.000 0.000 . 1 . . . . . 49 LYS CA . 6850 1 526 . 1 1 49 49 LYS CB C 13 29.607 0.000 . 1 . . . . . 49 LYS CB . 6850 1 527 . 1 1 49 49 LYS CG C 13 23.108 0.000 . 1 . . . . . 49 LYS CG . 6850 1 528 . 1 1 49 49 LYS CD C 13 27.620 0.000 . 1 . . . . . 49 LYS CD . 6850 1 529 . 1 1 49 49 LYS CE C 13 39.684 0.000 . 1 . . . . . 49 LYS CE . 6850 1 530 . 1 1 49 49 LYS N N 15 119.972 0.000 . 1 . . . . . 49 LYS N . 6850 1 531 . 1 1 50 50 GLU H H 1 7.772 0.000 . 1 . . . . . 50 GLU H . 6850 1 532 . 1 1 50 50 GLU HA H 1 3.7905 0.007 . 1 . . . . . 50 GLU HA . 6850 1 533 . 1 1 50 50 GLU HB2 H 1 1.9 0.01 . 2 . . . . . 50 GLU HB2 . 6850 1 534 . 1 1 50 50 GLU HB3 H 1 1.793 0.012 . 2 . . . . . 50 GLU HB3 . 6850 1 535 . 1 1 50 50 GLU HG2 H 1 2.1585 0.031 . 2 . . . . . 50 GLU HG2 . 6850 1 536 . 1 1 50 50 GLU HG3 H 1 1.913 0 . 2 . . . . . 50 GLU HG3 . 6850 1 537 . 1 1 50 50 GLU CA C 13 57.088 0.000 . 1 . . . . . 50 GLU CA . 6850 1 538 . 1 1 50 50 GLU CB C 13 26.147 0.000 . 1 . . . . . 50 GLU CB . 6850 1 539 . 1 1 50 50 GLU CG C 13 34.435 0.000 . 1 . . . . . 50 GLU CG . 6850 1 540 . 1 1 50 50 GLU N N 15 119.658 0.000 . 1 . . . . . 50 GLU N . 6850 1 541 . 1 1 51 51 MET H H 1 8.017 0.000 . 1 . . . . . 51 MET H . 6850 1 542 . 1 1 51 51 MET HA H 1 3.9535 0.013 . 1 . . . . . 51 MET HA . 6850 1 543 . 1 1 51 51 MET HB2 H 1 1.2275 0.015 . 2 . . . . . 51 MET HB2 . 6850 1 544 . 1 1 51 51 MET HB3 H 1 1.0075 0.005 . 2 . . . . . 51 MET HB3 . 6850 1 545 . 1 1 51 51 MET HG2 H 1 1.4805 0.001 . 1 . . . . . 51 MET HG2 . 6850 1 546 . 1 1 51 51 MET HG3 H 1 1.253 0.000 . 1 . . . . . 51 MET HG3 . 6850 1 547 . 1 1 51 51 MET HE1 H 1 1.544 0.676 . 1 . . . . . 51 MET HE . 6850 1 548 . 1 1 51 51 MET HE2 H 1 1.544 0.676 . 1 . . . . . 51 MET HE . 6850 1 549 . 1 1 51 51 MET HE3 H 1 1.544 0.676 . 1 . . . . . 51 MET HE . 6850 1 550 . 1 1 51 51 MET CA C 13 55.247 0.000 . 1 . . . . . 51 MET CA . 6850 1 551 . 1 1 51 51 MET CB C 13 29.646 0.000 . 1 . . . . . 51 MET CB . 6850 1 552 . 1 1 51 51 MET CG C 13 31.300 0.000 . 1 . . . . . 51 MET CG . 6850 1 553 . 1 1 51 51 MET CE C 13 15.478 0.000 . 1 . . . . . 51 MET CE . 6850 1 554 . 1 1 51 51 MET N N 15 118.835 0.000 . 1 . . . . . 51 MET N . 6850 1 555 . 1 1 52 52 PHE H H 1 8.119 0.000 . 1 . . . . . 52 PHE H . 6850 1 556 . 1 1 52 52 PHE HA H 1 4.324 0.008 . 1 . . . . . 52 PHE HA . 6850 1 557 . 1 1 52 52 PHE HB2 H 1 3.49 0.006 . 2 . . . . . 52 PHE HB2 . 6850 1 558 . 1 1 52 52 PHE HB3 H 1 3.2085 0.007 . 2 . . . . . 52 PHE HB3 . 6850 1 559 . 1 1 52 52 PHE HD1 H 1 7.1135 0.011 . 3 . . . . . 52 PHE HD1 . 6850 1 560 . 1 1 52 52 PHE HE1 H 1 7.191 0.016 . 3 . . . . . 52 PHE HE1 . 6850 1 561 . 1 1 52 52 PHE HZ H 1 7.369 0.006 . 1 . . . . . 52 PHE HZ . 6850 1 562 . 1 1 52 52 PHE CA C 13 57.756 0.000 . 1 . . . . . 52 PHE CA . 6850 1 563 . 1 1 52 52 PHE CB C 13 36.645 0.000 . 1 . . . . . 52 PHE CB . 6850 1 564 . 1 1 52 52 PHE N N 15 121.142 0.000 . 1 . . . . . 52 PHE N . 6850 1 565 . 1 1 53 53 GLU H H 1 8.363 0.000 . 1 . . . . . 53 GLU H . 6850 1 566 . 1 1 53 53 GLU HA H 1 3.4285 0.027 . 1 . . . . . 53 GLU HA . 6850 1 567 . 1 1 53 53 GLU HB2 H 1 1.8955 0.007 . 2 . . . . . 53 GLU HB2 . 6850 1 568 . 1 1 53 53 GLU HB3 H 1 1.759 0.004 . 2 . . . . . 53 GLU HB3 . 6850 1 569 . 1 1 53 53 GLU HG2 H 1 2.434 0.006 . 2 . . . . . 53 GLU HG2 . 6850 1 570 . 1 1 53 53 GLU HG3 H 1 2.064 0.006 . 1 . . . . . 53 GLU HG3 . 6850 1 571 . 1 1 53 53 GLU CA C 13 56.904 0.000 . 1 . . . . . 53 GLU CA . 6850 1 572 . 1 1 53 53 GLU CB C 13 26.300 0.000 . 1 . . . . . 53 GLU CB . 6850 1 573 . 1 1 53 53 GLU CG C 13 34.435 0.000 . 1 . . . . . 53 GLU CG . 6850 1 574 . 1 1 53 53 GLU N N 15 118.281 0.000 . 1 . . . . . 53 GLU N . 6850 1 575 . 1 1 54 54 LYS H H 1 8.307 0.000 . 1 . . . . . 54 LYS H . 6850 1 576 . 1 1 54 54 LYS HA H 1 3.7895 0.023 . 1 . . . . . 54 LYS HA . 6850 1 577 . 1 1 54 54 LYS HB2 H 1 1.7675 0.007 . 2 . . . . . 54 LYS HB2 . 6850 1 578 . 1 1 54 54 LYS HG2 H 1 1.289 0.018 . 2 . . . . . 54 LYS HG2 . 6850 1 579 . 1 1 54 54 LYS HG3 H 1 1.207 0.005 . 2 . . . . . 54 LYS HG3 . 6850 1 580 . 1 1 54 54 LYS HD2 H 1 1.465 0.000 . 2 . . . . . 54 LYS HD2 . 6850 1 581 . 1 1 54 54 LYS HE2 H 1 2.714 0.003 . 2 . . . . . 54 LYS HE2 . 6850 1 582 . 1 1 54 54 LYS CA C 13 57.438 0.000 . 1 . . . . . 54 LYS CA . 6850 1 583 . 1 1 54 54 LYS CB C 13 30.000 0.000 . 1 . . . . . 54 LYS CB . 6850 1 584 . 1 1 54 54 LYS CG C 13 23.384 0.000 . 1 . . . . . 54 LYS CG . 6850 1 585 . 1 1 54 54 LYS CD C 13 26.920 0.000 . 1 . . . . . 54 LYS CD . 6850 1 586 . 1 1 54 54 LYS CE C 13 39.776 0.000 . 1 . . . . . 54 LYS CE . 6850 1 587 . 1 1 54 54 LYS N N 15 121.792 0.000 . 1 . . . . . 54 LYS N . 6850 1 588 . 1 1 55 55 TYR H H 1 8.227 0.000 . 1 . . . . . 55 TYR H . 6850 1 589 . 1 1 55 55 TYR HA H 1 4.038 0.046 . 1 . . . . . 55 TYR HA . 6850 1 590 . 1 1 55 55 TYR HB2 H 1 3.192 0.006 . 2 . . . . . 55 TYR HB2 . 6850 1 591 . 1 1 55 55 TYR HB3 H 1 2.9315 0.007 . 2 . . . . . 55 TYR HB3 . 6850 1 592 . 1 1 55 55 TYR HD1 H 1 6.8095 0.001 . 3 . . . . . 55 TYR HD1 . 6850 1 593 . 1 1 55 55 TYR HE1 H 1 6.3405 0.001 . 3 . . . . . 55 TYR HE1 . 6850 1 594 . 1 1 55 55 TYR CA C 13 58.528 0.000 . 1 . . . . . 55 TYR CA . 6850 1 595 . 1 1 55 55 TYR CB C 13 35.640 0.000 . 1 . . . . . 55 TYR CB . 6850 1 596 . 1 1 55 55 TYR N N 15 121.518 0.000 . 1 . . . . . 55 TYR N . 6850 1 597 . 1 1 56 56 LEU H H 1 7.736 0.000 . 1 . . . . . 56 LEU H . 6850 1 598 . 1 1 56 56 LEU HA H 1 3.4375 0.009 . 1 . . . . . 56 LEU HA . 6850 1 599 . 1 1 56 56 LEU HB2 H 1 1.5045 0.009 . 2 . . . . . 56 LEU HB2 . 6850 1 600 . 1 1 56 56 LEU HB3 H 1 1.0895 0.011 . 2 . . . . . 56 LEU HB3 . 6850 1 601 . 1 1 56 56 LEU HG H 1 1.233 0.014 . 1 . . . . . 56 LEU HG . 6850 1 602 . 1 1 56 56 LEU HD11 H 1 0.425 0.002 . 2 . . . . . 56 LEU HD1 . 6850 1 603 . 1 1 56 56 LEU HD12 H 1 0.425 0.002 . 2 . . . . . 56 LEU HD1 . 6850 1 604 . 1 1 56 56 LEU HD13 H 1 0.425 0.002 . 2 . . . . . 56 LEU HD1 . 6850 1 605 . 1 1 56 56 LEU HD21 H 1 0.265 0.004 . 2 . . . . . 56 LEU HD2 . 6850 1 606 . 1 1 56 56 LEU HD22 H 1 0.265 0.004 . 2 . . . . . 56 LEU HD2 . 6850 1 607 . 1 1 56 56 LEU HD23 H 1 0.265 0.004 . 2 . . . . . 56 LEU HD2 . 6850 1 608 . 1 1 56 56 LEU CA C 13 54.234 0.000 . 1 . . . . . 56 LEU CA . 6850 1 609 . 1 1 56 56 LEU CB C 13 39.408 0.000 . 1 . . . . . 56 LEU CB . 6850 1 610 . 1 1 56 56 LEU CG C 13 23.937 0.000 . 1 . . . . . 56 LEU CG . 6850 1 611 . 1 1 56 56 LEU CD1 C 13 19.292 0.000 . 2 . . . . . 56 LEU CD1 . 6850 1 612 . 1 1 56 56 LEU CD2 C 13 23.652 0.000 . 2 . . . . . 56 LEU CD2 . 6850 1 613 . 1 1 56 56 LEU N N 15 117.396 0.000 . 1 . . . . . 56 LEU N . 6850 1 614 . 1 1 57 57 SER H H 1 7.591 0.002 . 1 . . . . . 57 SER H . 6850 1 615 . 1 1 57 57 SER HA H 1 4.086 0.002 . 1 . . . . . 57 SER HA . 6850 1 616 . 1 1 57 57 SER HB2 H 1 3.776 0.006 . 2 . . . . . 57 SER HB2 . 6850 1 617 . 1 1 57 57 SER CA C 13 57.641 0.000 . 1 . . . . . 57 SER CA . 6850 1 618 . 1 1 57 57 SER CB C 13 60.956 0.000 . 1 . . . . . 57 SER CB . 6850 1 619 . 1 1 57 57 SER N N 15 113.146 0.000 . 1 . . . . . 57 SER N . 6850 1 620 . 1 1 58 58 ASN H H 1 7.418 0.000 . 1 . . . . . 58 ASN H . 6850 1 621 . 1 1 58 58 ASN HA H 1 4.6095 0.007 . 1 . . . . . 58 ASN HA . 6850 1 622 . 1 1 58 58 ASN HB2 H 1 2.708 0.01 . 2 . . . . . 58 ASN HB2 . 6850 1 623 . 1 1 58 58 ASN HB3 H 1 2.4955 0.041 . 2 . . . . . 58 ASN HB3 . 6850 1 624 . 1 1 58 58 ASN HD21 H 1 7.455 0.002 . 2 . . . . . 58 ASN HD21 . 6850 1 625 . 1 1 58 58 ASN HD22 H 1 6.749 0.009 . 2 . . . . . 58 ASN HD22 . 6850 1 626 . 1 1 58 58 ASN CA C 13 50.354 0.000 . 1 . . . . . 58 ASN CA . 6850 1 627 . 1 1 58 58 ASN CB C 13 36.730 0.000 . 1 . . . . . 58 ASN CB . 6850 1 628 . 1 1 58 58 ASN N N 15 119.007 0.000 . 1 . . . . . 58 ASN N . 6850 1 629 . 1 1 58 58 ASN ND2 N 15 112.971 0.000 . 1 . . . . . 58 ASN ND2 . 6850 1 630 . 1 1 59 59 ARG H H 1 7.314 0.000 . 1 . . . . . 59 ARG H . 6850 1 631 . 1 1 59 59 ARG HA H 1 3.867 0.000 . 1 . . . . . 59 ARG HA . 6850 1 632 . 1 1 59 59 ARG HE H 1 6.959 0.000 . 1 . . . . . 59 ARG HE . 6850 1 633 . 1 1 59 59 ARG N N 15 125.562 0.000 . 1 . . . . . 59 ARG N . 6850 1 634 . 1 1 59 59 ARG NE N 15 118.403 0.000 . 3 . . . . . 59 ARG NE . 6850 1 stop_ save_