################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6555 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 120.770 0.300 . 1 . . . . . . . . 6555 1 2 . 1 1 1 1 MET H H 1 8.512 0.010 . 1 . . . . . . . . 6555 1 3 . 1 1 1 1 MET CA C 13 55.436 0.300 . 1 . . . . . . . . 6555 1 4 . 1 1 1 1 MET HA H 1 4.525 0.010 . 1 . . . . . . . . 6555 1 5 . 1 1 1 1 MET CB C 13 32.896 0.300 . 1 . . . . . . . . 6555 1 6 . 1 1 1 1 MET HB2 H 1 2.104 0.010 . 2 . . . . . . . . 6555 1 7 . 1 1 1 1 MET HB3 H 1 1.972 0.010 . 2 . . . . . . . . 6555 1 8 . 1 1 1 1 MET CG C 13 31.966 0.300 . 1 . . . . . . . . 6555 1 9 . 1 1 1 1 MET HG2 H 1 2.488 0.010 . 2 . . . . . . . . 6555 1 10 . 1 1 1 1 MET HG3 H 1 2.544 0.010 . 2 . . . . . . . . 6555 1 11 . 1 1 1 1 MET C C 13 176.010 0.300 . 1 . . . . . . . . 6555 1 12 . 1 1 2 2 SER N N 15 116.660 0.300 . 1 . . . . . . . . 6555 1 13 . 1 1 2 2 SER H H 1 8.326 0.010 . 1 . . . . . . . . 6555 1 14 . 1 1 2 2 SER CA C 13 58.167 0.300 . 1 . . . . . . . . 6555 1 15 . 1 1 2 2 SER HA H 1 4.531 0.010 . 1 . . . . . . . . 6555 1 16 . 1 1 2 2 SER CB C 13 63.717 0.300 . 1 . . . . . . . . 6555 1 17 . 1 1 2 2 SER HB2 H 1 3.863 0.010 . 2 . . . . . . . . 6555 1 18 . 1 1 2 2 SER HB3 H 1 3.787 0.010 . 2 . . . . . . . . 6555 1 19 . 1 1 2 2 SER C C 13 174.200 0.300 . 1 . . . . . . . . 6555 1 20 . 1 1 3 3 THR N N 15 115.240 0.300 . 1 . . . . . . . . 6555 1 21 . 1 1 3 3 THR H H 1 8.162 0.010 . 1 . . . . . . . . 6555 1 22 . 1 1 3 3 THR CA C 13 61.174 0.300 . 1 . . . . . . . . 6555 1 23 . 1 1 3 3 THR HA H 1 4.377 0.010 . 1 . . . . . . . . 6555 1 24 . 1 1 3 3 THR CB C 13 70.206 0.300 . 1 . . . . . . . . 6555 1 25 . 1 1 3 3 THR HB H 1 4.130 0.010 . 1 . . . . . . . . 6555 1 26 . 1 1 3 3 THR HG21 H 1 1.064 0.010 . 1 . . . . . . . . 6555 1 27 . 1 1 3 3 THR HG22 H 1 1.064 0.010 . 1 . . . . . . . . 6555 1 28 . 1 1 3 3 THR HG23 H 1 1.064 0.010 . 1 . . . . . . . . 6555 1 29 . 1 1 3 3 THR CG2 C 13 22.293 0.300 . 1 . . . . . . . . 6555 1 30 . 1 1 3 3 THR C C 13 174.520 0.300 . 1 . . . . . . . . 6555 1 31 . 1 1 4 4 TYR N N 15 124.040 0.300 . 1 . . . . . . . . 6555 1 32 . 1 1 4 4 TYR H H 1 9.272 0.010 . 1 . . . . . . . . 6555 1 33 . 1 1 4 4 TYR CA C 13 59.320 0.300 . 1 . . . . . . . . 6555 1 34 . 1 1 4 4 TYR HA H 1 4.431 0.010 . 1 . . . . . . . . 6555 1 35 . 1 1 4 4 TYR CB C 13 39.522 0.300 . 1 . . . . . . . . 6555 1 36 . 1 1 4 4 TYR HB2 H 1 2.931 0.010 . 2 . . . . . . . . 6555 1 37 . 1 1 4 4 TYR HB3 H 1 3.287 0.010 . 2 . . . . . . . . 6555 1 38 . 1 1 4 4 TYR C C 13 174.780 0.300 . 1 . . . . . . . . 6555 1 39 . 1 1 5 5 ASP N N 15 114.390 0.300 . 1 . . . . . . . . 6555 1 40 . 1 1 5 5 ASP H H 1 7.597 0.010 . 1 . . . . . . . . 6555 1 41 . 1 1 5 5 ASP CA C 13 52.357 0.300 . 1 . . . . . . . . 6555 1 42 . 1 1 5 5 ASP HA H 1 4.440 0.010 . 1 . . . . . . . . 6555 1 43 . 1 1 5 5 ASP CB C 13 43.276 0.300 . 1 . . . . . . . . 6555 1 44 . 1 1 5 5 ASP HB2 H 1 2.135 0.010 . 2 . . . . . . . . 6555 1 45 . 1 1 5 5 ASP HB3 H 1 2.352 0.010 . 2 . . . . . . . . 6555 1 46 . 1 1 5 5 ASP C C 13 173.320 0.300 . 1 . . . . . . . . 6555 1 47 . 1 1 6 6 GLU N N 15 120.350 0.300 . 1 . . . . . . . . 6555 1 48 . 1 1 6 6 GLU H H 1 8.956 0.010 . 1 . . . . . . . . 6555 1 49 . 1 1 6 6 GLU CA C 13 54.526 0.300 . 1 . . . . . . . . 6555 1 50 . 1 1 6 6 GLU HA H 1 5.022 0.010 . 1 . . . . . . . . 6555 1 51 . 1 1 6 6 GLU CB C 13 32.150 0.300 . 1 . . . . . . . . 6555 1 52 . 1 1 6 6 GLU HB2 H 1 1.789 0.010 . 2 . . . . . . . . 6555 1 53 . 1 1 6 6 GLU CG C 13 36.593 0.300 . 1 . . . . . . . . 6555 1 54 . 1 1 6 6 GLU HG2 H 1 1.914 0.010 . 2 . . . . . . . . 6555 1 55 . 1 1 6 6 GLU C C 13 174.000 0.300 . 1 . . . . . . . . 6555 1 56 . 1 1 7 7 ILE N N 15 125.750 0.300 . 1 . . . . . . . . 6555 1 57 . 1 1 7 7 ILE H H 1 8.875 0.010 . 1 . . . . . . . . 6555 1 58 . 1 1 7 7 ILE CA C 13 57.119 0.300 . 1 . . . . . . . . 6555 1 59 . 1 1 7 7 ILE HA H 1 4.302 0.010 . 1 . . . . . . . . 6555 1 60 . 1 1 7 7 ILE CB C 13 39.412 0.300 . 1 . . . . . . . . 6555 1 61 . 1 1 7 7 ILE HB H 1 1.492 0.010 . 1 . . . . . . . . 6555 1 62 . 1 1 7 7 ILE HG21 H 1 0.361 0.010 . 1 . . . . . . . . 6555 1 63 . 1 1 7 7 ILE HG22 H 1 0.361 0.010 . 1 . . . . . . . . 6555 1 64 . 1 1 7 7 ILE HG23 H 1 0.361 0.010 . 1 . . . . . . . . 6555 1 65 . 1 1 7 7 ILE CG2 C 13 17.171 0.300 . 1 . . . . . . . . 6555 1 66 . 1 1 7 7 ILE HD11 H 1 0.176 0.010 . 1 . . . . . . . . 6555 1 67 . 1 1 7 7 ILE HD12 H 1 0.176 0.010 . 1 . . . . . . . . 6555 1 68 . 1 1 7 7 ILE HD13 H 1 0.176 0.010 . 1 . . . . . . . . 6555 1 69 . 1 1 7 7 ILE CD1 C 13 10.578 0.300 . 1 . . . . . . . . 6555 1 70 . 1 1 7 7 ILE C C 13 175.370 0.300 . 1 . . . . . . . . 6555 1 71 . 1 1 8 8 GLU N N 15 125.390 0.300 . 1 . . . . . . . . 6555 1 72 . 1 1 8 8 GLU H H 1 8.870 0.010 . 1 . . . . . . . . 6555 1 73 . 1 1 8 8 GLU CA C 13 56.604 0.300 . 1 . . . . . . . . 6555 1 74 . 1 1 8 8 GLU HA H 1 4.390 0.010 . 1 . . . . . . . . 6555 1 75 . 1 1 8 8 GLU CB C 13 29.773 0.300 . 1 . . . . . . . . 6555 1 76 . 1 1 8 8 GLU HB2 H 1 1.897 0.010 . 2 . . . . . . . . 6555 1 77 . 1 1 8 8 GLU HB3 H 1 2.343 0.010 . 2 . . . . . . . . 6555 1 78 . 1 1 8 8 GLU CG C 13 36.128 0.300 . 1 . . . . . . . . 6555 1 79 . 1 1 8 8 GLU HG2 H 1 2.708 0.010 . 2 . . . . . . . . 6555 1 80 . 1 1 8 8 GLU HG3 H 1 2.216 0.010 . 2 . . . . . . . . 6555 1 81 . 1 1 8 8 GLU C C 13 179.090 0.300 . 1 . . . . . . . . 6555 1 82 . 1 1 9 9 ILE N N 15 122.040 0.300 . 1 . . . . . . . . 6555 1 83 . 1 1 9 9 ILE H H 1 8.015 0.010 . 1 . . . . . . . . 6555 1 84 . 1 1 9 9 ILE CA C 13 65.248 0.300 . 1 . . . . . . . . 6555 1 85 . 1 1 9 9 ILE HA H 1 3.455 0.010 . 1 . . . . . . . . 6555 1 86 . 1 1 9 9 ILE CB C 13 38.514 0.300 . 1 . . . . . . . . 6555 1 87 . 1 1 9 9 ILE HB H 1 1.449 0.010 . 1 . . . . . . . . 6555 1 88 . 1 1 9 9 ILE HG21 H 1 1.002 0.010 . 1 . . . . . . . . 6555 1 89 . 1 1 9 9 ILE HG22 H 1 1.002 0.010 . 1 . . . . . . . . 6555 1 90 . 1 1 9 9 ILE HG23 H 1 1.002 0.010 . 1 . . . . . . . . 6555 1 91 . 1 1 9 9 ILE CG2 C 13 15.936 0.300 . 1 . . . . . . . . 6555 1 92 . 1 1 9 9 ILE CG1 C 13 28.336 0.300 . 1 . . . . . . . . 6555 1 93 . 1 1 9 9 ILE HG12 H 1 0.625 0.010 . 2 . . . . . . . . 6555 1 94 . 1 1 9 9 ILE HG13 H 1 0.405 0.010 . 2 . . . . . . . . 6555 1 95 . 1 1 9 9 ILE HD11 H 1 -0.142 0.010 . 1 . . . . . . . . 6555 1 96 . 1 1 9 9 ILE HD12 H 1 -0.142 0.010 . 1 . . . . . . . . 6555 1 97 . 1 1 9 9 ILE HD13 H 1 -0.142 0.010 . 1 . . . . . . . . 6555 1 98 . 1 1 9 9 ILE CD1 C 13 14.689 0.300 . 1 . . . . . . . . 6555 1 99 . 1 1 9 9 ILE C C 13 176.300 0.300 . 1 . . . . . . . . 6555 1 100 . 1 1 10 10 GLU N N 15 119.670 0.300 . 1 . . . . . . . . 6555 1 101 . 1 1 10 10 GLU H H 1 8.592 0.010 . 1 . . . . . . . . 6555 1 102 . 1 1 10 10 GLU CA C 13 59.205 0.300 . 1 . . . . . . . . 6555 1 103 . 1 1 10 10 GLU HA H 1 4.177 0.010 . 1 . . . . . . . . 6555 1 104 . 1 1 10 10 GLU CB C 13 28.982 0.300 . 1 . . . . . . . . 6555 1 105 . 1 1 10 10 GLU HB2 H 1 2.081 0.010 . 2 . . . . . . . . 6555 1 106 . 1 1 10 10 GLU CG C 13 36.087 0.300 . 1 . . . . . . . . 6555 1 107 . 1 1 10 10 GLU HG2 H 1 2.267 0.010 . 2 . . . . . . . . 6555 1 108 . 1 1 10 10 GLU HG3 H 1 2.352 0.010 . 2 . . . . . . . . 6555 1 109 . 1 1 10 10 GLU C C 13 176.650 0.300 . 1 . . . . . . . . 6555 1 110 . 1 1 11 11 ASP N N 15 117.040 0.300 . 1 . . . . . . . . 6555 1 111 . 1 1 11 11 ASP H H 1 7.968 0.010 . 1 . . . . . . . . 6555 1 112 . 1 1 11 11 ASP CA C 13 55.030 0.300 . 1 . . . . . . . . 6555 1 113 . 1 1 11 11 ASP HA H 1 4.902 0.010 . 1 . . . . . . . . 6555 1 114 . 1 1 11 11 ASP CB C 13 41.752 0.300 . 1 . . . . . . . . 6555 1 115 . 1 1 11 11 ASP HB2 H 1 2.788 0.010 . 2 . . . . . . . . 6555 1 116 . 1 1 11 11 ASP HB3 H 1 2.978 0.010 . 2 . . . . . . . . 6555 1 117 . 1 1 12 12 MET N N 15 118.350 0.300 . 1 . . . . . . . . 6555 1 118 . 1 1 12 12 MET H H 1 7.645 0.010 . 1 . . . . . . . . 6555 1 119 . 1 1 12 12 MET CA C 13 55.007 0.300 . 1 . . . . . . . . 6555 1 120 . 1 1 12 12 MET HA H 1 4.901 0.010 . 1 . . . . . . . . 6555 1 121 . 1 1 12 12 MET CB C 13 33.665 0.300 . 1 . . . . . . . . 6555 1 122 . 1 1 12 12 MET HB2 H 1 2.269 0.010 . 2 . . . . . . . . 6555 1 123 . 1 1 12 12 MET HE1 H 1 1.507 0.010 . 1 . . . . . . . . 6555 1 124 . 1 1 12 12 MET HE2 H 1 1.507 0.010 . 1 . . . . . . . . 6555 1 125 . 1 1 12 12 MET HE3 H 1 1.507 0.010 . 1 . . . . . . . . 6555 1 126 . 1 1 12 12 MET CE C 13 16.159 0.300 . 1 . . . . . . . . 6555 1 127 . 1 1 12 12 MET C C 13 176.050 0.300 . 1 . . . . . . . . 6555 1 128 . 1 1 13 13 THR N N 15 118.660 0.300 . 1 . . . . . . . . 6555 1 129 . 1 1 13 13 THR H H 1 9.496 0.010 . 1 . . . . . . . . 6555 1 130 . 1 1 13 13 THR CA C 13 62.566 0.300 . 1 . . . . . . . . 6555 1 131 . 1 1 13 13 THR HA H 1 4.582 0.010 . 1 . . . . . . . . 6555 1 132 . 1 1 13 13 THR CB C 13 70.055 0.300 . 1 . . . . . . . . 6555 1 133 . 1 1 13 13 THR HB H 1 4.129 0.010 . 1 . . . . . . . . 6555 1 134 . 1 1 13 13 THR HG21 H 1 1.157 0.010 . 1 . . . . . . . . 6555 1 135 . 1 1 13 13 THR HG22 H 1 1.157 0.010 . 1 . . . . . . . . 6555 1 136 . 1 1 13 13 THR HG23 H 1 1.157 0.010 . 1 . . . . . . . . 6555 1 137 . 1 1 13 13 THR CG2 C 13 21.420 0.300 . 1 . . . . . . . . 6555 1 138 . 1 1 13 13 THR C C 13 173.790 0.300 . 1 . . . . . . . . 6555 1 139 . 1 1 14 14 PHE N N 15 128.710 0.300 . 1 . . . . . . . . 6555 1 140 . 1 1 14 14 PHE H H 1 9.302 0.010 . 1 . . . . . . . . 6555 1 141 . 1 1 14 14 PHE CA C 13 55.782 0.300 . 1 . . . . . . . . 6555 1 142 . 1 1 14 14 PHE HA H 1 4.573 0.010 . 1 . . . . . . . . 6555 1 143 . 1 1 14 14 PHE CB C 13 39.824 0.300 . 1 . . . . . . . . 6555 1 144 . 1 1 14 14 PHE HB2 H 1 2.771 0.010 . 2 . . . . . . . . 6555 1 145 . 1 1 14 14 PHE HB3 H 1 2.935 0.010 . 2 . . . . . . . . 6555 1 146 . 1 1 14 14 PHE C C 13 174.400 0.300 . 1 . . . . . . . . 6555 1 147 . 1 1 15 15 GLU N N 15 129.570 0.300 . 1 . . . . . . . . 6555 1 148 . 1 1 15 15 GLU H H 1 8.458 0.010 . 1 . . . . . . . . 6555 1 149 . 1 1 15 15 GLU CA C 13 52.100 0.300 . 1 . . . . . . . . 6555 1 150 . 1 1 15 15 GLU HA H 1 4.642 0.010 . 1 . . . . . . . . 6555 1 151 . 1 1 15 15 GLU CB C 13 29.273 0.300 . 1 . . . . . . . . 6555 1 152 . 1 1 15 15 GLU HB2 H 1 1.865 0.010 . 2 . . . . . . . . 6555 1 153 . 1 1 15 15 GLU HB3 H 1 1.561 0.010 . 2 . . . . . . . . 6555 1 154 . 1 1 15 15 GLU C C 13 174.290 0.300 . 1 . . . . . . . . 6555 1 155 . 1 1 16 16 PRO CD C 13 51.025 0.300 . 1 . . . . . . . . 6555 1 156 . 1 1 16 16 PRO CA C 13 65.082 0.300 . 1 . . . . . . . . 6555 1 157 . 1 1 16 16 PRO HA H 1 3.344 0.010 . 1 . . . . . . . . 6555 1 158 . 1 1 16 16 PRO CB C 13 31.975 0.300 . 1 . . . . . . . . 6555 1 159 . 1 1 16 16 PRO HB2 H 1 1.987 0.010 . 2 . . . . . . . . 6555 1 160 . 1 1 16 16 PRO CG C 13 26.784 0.300 . 1 . . . . . . . . 6555 1 161 . 1 1 16 16 PRO HG2 H 1 1.987 0.010 . 2 . . . . . . . . 6555 1 162 . 1 1 16 16 PRO HD2 H 1 3.404 0.010 . 2 . . . . . . . . 6555 1 163 . 1 1 16 16 PRO HD3 H 1 3.823 0.010 . 2 . . . . . . . . 6555 1 164 . 1 1 16 16 PRO C C 13 178.400 0.300 . 1 . . . . . . . . 6555 1 165 . 1 1 17 17 GLU N N 15 117.980 0.300 . 1 . . . . . . . . 6555 1 166 . 1 1 17 17 GLU H H 1 9.203 0.010 . 1 . . . . . . . . 6555 1 167 . 1 1 17 17 GLU CA C 13 59.263 0.300 . 1 . . . . . . . . 6555 1 168 . 1 1 17 17 GLU HA H 1 4.016 0.010 . 1 . . . . . . . . 6555 1 169 . 1 1 17 17 GLU CB C 13 28.658 0.300 . 1 . . . . . . . . 6555 1 170 . 1 1 17 17 GLU HB2 H 1 1.929 0.010 . 2 . . . . . . . . 6555 1 171 . 1 1 17 17 GLU CG C 13 36.048 0.300 . 1 . . . . . . . . 6555 1 172 . 1 1 17 17 GLU HG2 H 1 2.244 0.010 . 2 . . . . . . . . 6555 1 173 . 1 1 17 17 GLU HG3 H 1 2.174 0.010 . 2 . . . . . . . . 6555 1 174 . 1 1 17 17 GLU C C 13 176.750 0.300 . 1 . . . . . . . . 6555 1 175 . 1 1 18 18 ASN N N 15 113.100 0.300 . 1 . . . . . . . . 6555 1 176 . 1 1 18 18 ASN H H 1 7.202 0.010 . 1 . . . . . . . . 6555 1 177 . 1 1 18 18 ASN CA C 13 52.180 0.300 . 1 . . . . . . . . 6555 1 178 . 1 1 18 18 ASN HA H 1 4.895 0.010 . 1 . . . . . . . . 6555 1 179 . 1 1 18 18 ASN CB C 13 39.789 0.300 . 1 . . . . . . . . 6555 1 180 . 1 1 18 18 ASN HB2 H 1 2.490 0.010 . 2 . . . . . . . . 6555 1 181 . 1 1 18 18 ASN HB3 H 1 2.937 0.010 . 2 . . . . . . . . 6555 1 182 . 1 1 18 18 ASN ND2 N 15 113.730 0.300 . 1 . . . . . . . . 6555 1 183 . 1 1 18 18 ASN HD21 H 1 6.790 0.010 . 2 . . . . . . . . 6555 1 184 . 1 1 18 18 ASN C C 13 173.910 0.300 . 1 . . . . . . . . 6555 1 185 . 1 1 19 19 GLN N N 15 115.790 0.300 . 1 . . . . . . . . 6555 1 186 . 1 1 19 19 GLN H H 1 7.741 0.010 . 1 . . . . . . . . 6555 1 187 . 1 1 19 19 GLN CA C 13 57.373 0.300 . 1 . . . . . . . . 6555 1 188 . 1 1 19 19 GLN HA H 1 3.309 0.010 . 1 . . . . . . . . 6555 1 189 . 1 1 19 19 GLN CB C 13 26.240 0.300 . 1 . . . . . . . . 6555 1 190 . 1 1 19 19 GLN HB2 H 1 2.100 0.010 . 2 . . . . . . . . 6555 1 191 . 1 1 19 19 GLN HB3 H 1 2.515 0.010 . 2 . . . . . . . . 6555 1 192 . 1 1 19 19 GLN CG C 13 34.037 0.300 . 1 . . . . . . . . 6555 1 193 . 1 1 19 19 GLN HG2 H 1 2.210 0.010 . 2 . . . . . . . . 6555 1 194 . 1 1 19 19 GLN NE2 N 15 111.840 0.300 . 1 . . . . . . . . 6555 1 195 . 1 1 19 19 GLN HE21 H 1 7.503 0.010 . 2 . . . . . . . . 6555 1 196 . 1 1 19 19 GLN HE22 H 1 6.715 0.010 . 2 . . . . . . . . 6555 1 197 . 1 1 19 19 GLN C C 13 173.100 0.300 . 1 . . . . . . . . 6555 1 198 . 1 1 20 20 MET N N 15 116.450 0.300 . 1 . . . . . . . . 6555 1 199 . 1 1 20 20 MET H H 1 7.049 0.010 . 1 . . . . . . . . 6555 1 200 . 1 1 20 20 MET CA C 13 53.984 0.300 . 1 . . . . . . . . 6555 1 201 . 1 1 20 20 MET HA H 1 4.937 0.010 . 1 . . . . . . . . 6555 1 202 . 1 1 20 20 MET CB C 13 37.896 0.300 . 1 . . . . . . . . 6555 1 203 . 1 1 20 20 MET HB2 H 1 1.547 0.010 . 2 . . . . . . . . 6555 1 204 . 1 1 20 20 MET CG C 13 30.454 0.300 . 1 . . . . . . . . 6555 1 205 . 1 1 20 20 MET HG2 H 1 1.977 0.010 . 2 . . . . . . . . 6555 1 206 . 1 1 20 20 MET HG3 H 1 1.555 0.010 . 2 . . . . . . . . 6555 1 207 . 1 1 20 20 MET HE1 H 1 1.682 0.010 . 1 . . . . . . . . 6555 1 208 . 1 1 20 20 MET HE2 H 1 1.682 0.010 . 1 . . . . . . . . 6555 1 209 . 1 1 20 20 MET HE3 H 1 1.682 0.010 . 1 . . . . . . . . 6555 1 210 . 1 1 20 20 MET CE C 13 16.551 0.300 . 1 . . . . . . . . 6555 1 211 . 1 1 20 20 MET C C 13 172.700 0.300 . 1 . . . . . . . . 6555 1 212 . 1 1 21 21 PHE N N 15 121.710 0.300 . 1 . . . . . . . . 6555 1 213 . 1 1 21 21 PHE H H 1 9.346 0.010 . 1 . . . . . . . . 6555 1 214 . 1 1 21 21 PHE CA C 13 56.068 0.300 . 1 . . . . . . . . 6555 1 215 . 1 1 21 21 PHE HA H 1 5.642 0.010 . 1 . . . . . . . . 6555 1 216 . 1 1 21 21 PHE CB C 13 41.770 0.300 . 1 . . . . . . . . 6555 1 217 . 1 1 21 21 PHE HB2 H 1 2.691 0.010 . 2 . . . . . . . . 6555 1 218 . 1 1 21 21 PHE HB3 H 1 2.740 0.010 . 2 . . . . . . . . 6555 1 219 . 1 1 21 21 PHE C C 13 176.380 0.300 . 1 . . . . . . . . 6555 1 220 . 1 1 22 22 THR N N 15 109.100 0.300 . 1 . . . . . . . . 6555 1 221 . 1 1 22 22 THR H H 1 9.310 0.010 . 1 . . . . . . . . 6555 1 222 . 1 1 22 22 THR CA C 13 59.042 0.300 . 1 . . . . . . . . 6555 1 223 . 1 1 22 22 THR HA H 1 5.920 0.010 . 1 . . . . . . . . 6555 1 224 . 1 1 22 22 THR CB C 13 73.547 0.300 . 1 . . . . . . . . 6555 1 225 . 1 1 22 22 THR HB H 1 4.200 0.010 . 1 . . . . . . . . 6555 1 226 . 1 1 22 22 THR HG21 H 1 1.091 0.010 . 1 . . . . . . . . 6555 1 227 . 1 1 22 22 THR HG22 H 1 1.091 0.010 . 1 . . . . . . . . 6555 1 228 . 1 1 22 22 THR HG23 H 1 1.091 0.010 . 1 . . . . . . . . 6555 1 229 . 1 1 22 22 THR CG2 C 13 21.604 0.300 . 1 . . . . . . . . 6555 1 230 . 1 1 22 22 THR C C 13 173.810 0.300 . 1 . . . . . . . . 6555 1 231 . 1 1 23 23 TYR N N 15 121.210 0.300 . 1 . . . . . . . . 6555 1 232 . 1 1 23 23 TYR H H 1 8.059 0.010 . 1 . . . . . . . . 6555 1 233 . 1 1 23 23 TYR CA C 13 56.746 0.300 . 1 . . . . . . . . 6555 1 234 . 1 1 23 23 TYR HA H 1 5.082 0.010 . 1 . . . . . . . . 6555 1 235 . 1 1 23 23 TYR CB C 13 43.460 0.300 . 1 . . . . . . . . 6555 1 236 . 1 1 23 23 TYR HB2 H 1 2.689 0.010 . 2 . . . . . . . . 6555 1 237 . 1 1 23 23 TYR HB3 H 1 3.326 0.010 . 2 . . . . . . . . 6555 1 238 . 1 1 23 23 TYR C C 13 172.300 0.300 . 1 . . . . . . . . 6555 1 239 . 1 1 24 24 PRO CD C 13 50.451 0.300 . 1 . . . . . . . . 6555 1 240 . 1 1 24 24 PRO CA C 13 64.843 0.300 . 1 . . . . . . . . 6555 1 241 . 1 1 24 24 PRO HA H 1 4.132 0.010 . 1 . . . . . . . . 6555 1 242 . 1 1 24 24 PRO CB C 13 31.977 0.300 . 1 . . . . . . . . 6555 1 243 . 1 1 24 24 PRO HB2 H 1 1.634 0.010 . 2 . . . . . . . . 6555 1 244 . 1 1 24 24 PRO HB3 H 1 2.128 0.010 . 2 . . . . . . . . 6555 1 245 . 1 1 24 24 PRO CG C 13 27.517 0.300 . 1 . . . . . . . . 6555 1 246 . 1 1 24 24 PRO HG2 H 1 1.636 0.010 . 2 . . . . . . . . 6555 1 247 . 1 1 24 24 PRO HD2 H 1 3.322 0.010 . 2 . . . . . . . . 6555 1 248 . 1 1 24 24 PRO HD3 H 1 1.993 0.010 . 2 . . . . . . . . 6555 1 249 . 1 1 24 24 PRO C C 13 174.340 0.300 . 1 . . . . . . . . 6555 1 250 . 1 1 25 25 CYS N N 15 126.160 0.300 . 1 . . . . . . . . 6555 1 251 . 1 1 25 25 CYS H H 1 8.245 0.010 . 1 . . . . . . . . 6555 1 252 . 1 1 25 25 CYS CA C 13 55.077 0.300 . 1 . . . . . . . . 6555 1 253 . 1 1 25 25 CYS HA H 1 4.781 0.010 . 1 . . . . . . . . 6555 1 254 . 1 1 25 25 CYS CB C 13 30.120 0.300 . 1 . . . . . . . . 6555 1 255 . 1 1 26 26 PRO CD C 13 52.262 0.300 . 1 . . . . . . . . 6555 1 256 . 1 1 26 26 PRO CA C 13 64.601 0.300 . 1 . . . . . . . . 6555 1 257 . 1 1 26 26 PRO HA H 1 4.286 0.010 . 1 . . . . . . . . 6555 1 258 . 1 1 26 26 PRO CB C 13 32.338 0.300 . 1 . . . . . . . . 6555 1 259 . 1 1 26 26 PRO HB2 H 1 1.869 0.010 . 2 . . . . . . . . 6555 1 260 . 1 1 26 26 PRO HB3 H 1 2.272 0.010 . 2 . . . . . . . . 6555 1 261 . 1 1 26 26 PRO CG C 13 26.662 0.300 . 1 . . . . . . . . 6555 1 262 . 1 1 26 26 PRO HG2 H 1 1.637 0.010 . 2 . . . . . . . . 6555 1 263 . 1 1 26 26 PRO HD2 H 1 3.379 0.010 . 2 . . . . . . . . 6555 1 264 . 1 1 26 26 PRO C C 13 178.040 0.300 . 1 . . . . . . . . 6555 1 265 . 1 1 27 27 CYS N N 15 124.020 0.300 . 1 . . . . . . . . 6555 1 266 . 1 1 27 27 CYS H H 1 9.730 0.010 . 1 . . . . . . . . 6555 1 267 . 1 1 27 27 CYS CA C 13 60.280 0.300 . 1 . . . . . . . . 6555 1 268 . 1 1 27 27 CYS HA H 1 4.435 0.010 . 1 . . . . . . . . 6555 1 269 . 1 1 27 27 CYS CB C 13 29.140 0.300 . 1 . . . . . . . . 6555 1 270 . 1 1 27 27 CYS HB2 H 1 2.767 0.010 . 2 . . . . . . . . 6555 1 271 . 1 1 27 27 CYS HB3 H 1 3.147 0.010 . 2 . . . . . . . . 6555 1 272 . 1 1 27 27 CYS C C 13 176.890 0.300 . 1 . . . . . . . . 6555 1 273 . 1 1 28 28 GLY N N 15 111.500 0.300 . 1 . . . . . . . . 6555 1 274 . 1 1 28 28 GLY H H 1 8.120 0.010 . 1 . . . . . . . . 6555 1 275 . 1 1 28 28 GLY CA C 13 44.555 0.300 . 1 . . . . . . . . 6555 1 276 . 1 1 28 28 GLY HA2 H 1 4.622 0.010 . 2 . . . . . . . . 6555 1 277 . 1 1 28 28 GLY HA3 H 1 3.605 0.010 . 2 . . . . . . . . 6555 1 278 . 1 1 28 28 GLY C C 13 174.050 0.300 . 1 . . . . . . . . 6555 1 279 . 1 1 29 29 ASP N N 15 128.140 0.300 . 1 . . . . . . . . 6555 1 280 . 1 1 29 29 ASP H H 1 8.734 0.010 . 1 . . . . . . . . 6555 1 281 . 1 1 29 29 ASP CA C 13 52.341 0.300 . 1 . . . . . . . . 6555 1 282 . 1 1 29 29 ASP HA H 1 4.833 0.010 . 1 . . . . . . . . 6555 1 283 . 1 1 29 29 ASP CB C 13 41.387 0.300 . 1 . . . . . . . . 6555 1 284 . 1 1 29 29 ASP HB2 H 1 3.479 0.010 . 2 . . . . . . . . 6555 1 285 . 1 1 29 29 ASP HB3 H 1 2.242 0.010 . 2 . . . . . . . . 6555 1 286 . 1 1 29 29 ASP C C 13 174.160 0.300 . 1 . . . . . . . . 6555 1 287 . 1 1 30 30 ARG N N 15 121.290 0.300 . 1 . . . . . . . . 6555 1 288 . 1 1 30 30 ARG H H 1 8.829 0.010 . 1 . . . . . . . . 6555 1 289 . 1 1 30 30 ARG CA C 13 55.302 0.300 . 1 . . . . . . . . 6555 1 290 . 1 1 30 30 ARG HA H 1 4.834 0.010 . 1 . . . . . . . . 6555 1 291 . 1 1 30 30 ARG CB C 13 32.903 0.300 . 1 . . . . . . . . 6555 1 292 . 1 1 30 30 ARG HB2 H 1 1.622 0.010 . 2 . . . . . . . . 6555 1 293 . 1 1 30 30 ARG HB3 H 1 1.736 0.010 . 2 . . . . . . . . 6555 1 294 . 1 1 30 30 ARG CG C 13 26.870 0.300 . 1 . . . . . . . . 6555 1 295 . 1 1 30 30 ARG HG2 H 1 1.512 0.010 . 2 . . . . . . . . 6555 1 296 . 1 1 30 30 ARG CD C 13 43.424 0.300 . 1 . . . . . . . . 6555 1 297 . 1 1 30 30 ARG HD2 H 1 3.077 0.010 . 2 . . . . . . . . 6555 1 298 . 1 1 30 30 ARG NE N 15 83.820 0.300 . 1 . . . . . . . . 6555 1 299 . 1 1 30 30 ARG HE H 1 7.310 0.010 . 1 . . . . . . . . 6555 1 300 . 1 1 30 30 ARG C C 13 175.360 0.300 . 1 . . . . . . . . 6555 1 301 . 1 1 31 31 PHE N N 15 119.950 0.300 . 1 . . . . . . . . 6555 1 302 . 1 1 31 31 PHE H H 1 8.794 0.010 . 1 . . . . . . . . 6555 1 303 . 1 1 31 31 PHE CA C 13 58.995 0.300 . 1 . . . . . . . . 6555 1 304 . 1 1 31 31 PHE HA H 1 3.961 0.010 . 1 . . . . . . . . 6555 1 305 . 1 1 31 31 PHE CB C 13 40.456 0.300 . 1 . . . . . . . . 6555 1 306 . 1 1 31 31 PHE HB3 H 1 2.685 0.010 . 2 . . . . . . . . 6555 1 307 . 1 1 31 31 PHE C C 13 176.330 0.300 . 1 . . . . . . . . 6555 1 308 . 1 1 32 32 GLN N N 15 116.050 0.300 . 1 . . . . . . . . 6555 1 309 . 1 1 32 32 GLN H H 1 7.934 0.010 . 1 . . . . . . . . 6555 1 310 . 1 1 32 32 GLN CA C 13 54.563 0.300 . 1 . . . . . . . . 6555 1 311 . 1 1 32 32 GLN HA H 1 5.491 0.010 . 1 . . . . . . . . 6555 1 312 . 1 1 32 32 GLN CB C 13 33.307 0.300 . 1 . . . . . . . . 6555 1 313 . 1 1 32 32 GLN HB2 H 1 1.977 0.010 . 2 . . . . . . . . 6555 1 314 . 1 1 32 32 GLN HB3 H 1 2.500 0.010 . 2 . . . . . . . . 6555 1 315 . 1 1 32 32 GLN NE2 N 15 111.220 0.300 . 1 . . . . . . . . 6555 1 316 . 1 1 32 32 GLN HE21 H 1 7.402 0.010 . 2 . . . . . . . . 6555 1 317 . 1 1 32 32 GLN HE22 H 1 6.974 0.010 . 2 . . . . . . . . 6555 1 318 . 1 1 32 32 GLN C C 13 175.250 0.300 . 1 . . . . . . . . 6555 1 319 . 1 1 33 33 ILE N N 15 121.260 0.300 . 1 . . . . . . . . 6555 1 320 . 1 1 33 33 ILE H H 1 8.491 0.010 . 1 . . . . . . . . 6555 1 321 . 1 1 33 33 ILE CA C 13 60.612 0.300 . 1 . . . . . . . . 6555 1 322 . 1 1 33 33 ILE HA H 1 4.627 0.010 . 1 . . . . . . . . 6555 1 323 . 1 1 33 33 ILE CB C 13 41.113 0.300 . 1 . . . . . . . . 6555 1 324 . 1 1 33 33 ILE HB H 1 1.744 0.010 . 1 . . . . . . . . 6555 1 325 . 1 1 33 33 ILE HG21 H 1 0.834 0.010 . 1 . . . . . . . . 6555 1 326 . 1 1 33 33 ILE HG22 H 1 0.834 0.010 . 1 . . . . . . . . 6555 1 327 . 1 1 33 33 ILE HG23 H 1 0.834 0.010 . 1 . . . . . . . . 6555 1 328 . 1 1 33 33 ILE CG2 C 13 15.047 0.300 . 1 . . . . . . . . 6555 1 329 . 1 1 33 33 ILE CG1 C 13 27.443 0.300 . 1 . . . . . . . . 6555 1 330 . 1 1 33 33 ILE HG12 H 1 1.143 0.010 . 2 . . . . . . . . 6555 1 331 . 1 1 33 33 ILE HG13 H 1 1.845 0.010 . 2 . . . . . . . . 6555 1 332 . 1 1 33 33 ILE HD11 H 1 0.532 0.010 . 1 . . . . . . . . 6555 1 333 . 1 1 33 33 ILE HD12 H 1 0.532 0.010 . 1 . . . . . . . . 6555 1 334 . 1 1 33 33 ILE HD13 H 1 0.532 0.010 . 1 . . . . . . . . 6555 1 335 . 1 1 33 33 ILE CD1 C 13 13.975 0.300 . 1 . . . . . . . . 6555 1 336 . 1 1 33 33 ILE C C 13 172.040 0.300 . 1 . . . . . . . . 6555 1 337 . 1 1 34 34 TYR N N 15 126.730 0.300 . 1 . . . . . . . . 6555 1 338 . 1 1 34 34 TYR H H 1 9.362 0.010 . 1 . . . . . . . . 6555 1 339 . 1 1 34 34 TYR CA C 13 58.938 0.300 . 1 . . . . . . . . 6555 1 340 . 1 1 34 34 TYR HA H 1 4.932 0.010 . 1 . . . . . . . . 6555 1 341 . 1 1 34 34 TYR CB C 13 38.580 0.300 . 1 . . . . . . . . 6555 1 342 . 1 1 34 34 TYR HB2 H 1 3.073 0.010 . 2 . . . . . . . . 6555 1 343 . 1 1 34 34 TYR HB3 H 1 3.372 0.010 . 2 . . . . . . . . 6555 1 344 . 1 1 34 34 TYR C C 13 177.070 0.300 . 1 . . . . . . . . 6555 1 345 . 1 1 35 35 LEU N N 15 125.250 0.300 . 1 . . . . . . . . 6555 1 346 . 1 1 35 35 LEU H H 1 8.526 0.010 . 1 . . . . . . . . 6555 1 347 . 1 1 35 35 LEU CA C 13 58.516 0.300 . 1 . . . . . . . . 6555 1 348 . 1 1 35 35 LEU HA H 1 4.402 0.010 . 1 . . . . . . . . 6555 1 349 . 1 1 35 35 LEU CB C 13 43.295 0.300 . 1 . . . . . . . . 6555 1 350 . 1 1 35 35 LEU HB2 H 1 1.340 0.010 . 2 . . . . . . . . 6555 1 351 . 1 1 35 35 LEU HB3 H 1 1.909 0.010 . 2 . . . . . . . . 6555 1 352 . 1 1 35 35 LEU CG C 13 26.706 0.300 . 1 . . . . . . . . 6555 1 353 . 1 1 35 35 LEU HG H 1 1.381 0.010 . 1 . . . . . . . . 6555 1 354 . 1 1 35 35 LEU HD11 H 1 0.714 0.010 . 2 . . . . . . . . 6555 1 355 . 1 1 35 35 LEU HD12 H 1 0.714 0.010 . 2 . . . . . . . . 6555 1 356 . 1 1 35 35 LEU HD13 H 1 0.714 0.010 . 2 . . . . . . . . 6555 1 357 . 1 1 35 35 LEU HD21 H 1 0.033 0.010 . 2 . . . . . . . . 6555 1 358 . 1 1 35 35 LEU HD22 H 1 0.033 0.010 . 2 . . . . . . . . 6555 1 359 . 1 1 35 35 LEU HD23 H 1 0.033 0.010 . 2 . . . . . . . . 6555 1 360 . 1 1 35 35 LEU CD1 C 13 23.543 0.300 . 1 . . . . . . . . 6555 1 361 . 1 1 35 35 LEU CD2 C 13 24.572 0.300 . 1 . . . . . . . . 6555 1 362 . 1 1 35 35 LEU C C 13 177.460 0.300 . 1 . . . . . . . . 6555 1 363 . 1 1 36 36 ASP N N 15 115.880 0.300 . 1 . . . . . . . . 6555 1 364 . 1 1 36 36 ASP H H 1 9.126 0.010 . 1 . . . . . . . . 6555 1 365 . 1 1 36 36 ASP CA C 13 57.177 0.300 . 1 . . . . . . . . 6555 1 366 . 1 1 36 36 ASP HA H 1 4.589 0.010 . 1 . . . . . . . . 6555 1 367 . 1 1 36 36 ASP CB C 13 40.187 0.300 . 1 . . . . . . . . 6555 1 368 . 1 1 36 36 ASP HB2 H 1 2.634 0.010 . 2 . . . . . . . . 6555 1 369 . 1 1 36 36 ASP HB3 H 1 2.771 0.010 . 2 . . . . . . . . 6555 1 370 . 1 1 36 36 ASP C C 13 179.000 0.300 . 1 . . . . . . . . 6555 1 371 . 1 1 37 37 ASP N N 15 118.120 0.300 . 1 . . . . . . . . 6555 1 372 . 1 1 37 37 ASP H H 1 7.029 0.010 . 1 . . . . . . . . 6555 1 373 . 1 1 37 37 ASP CA C 13 57.152 0.300 . 1 . . . . . . . . 6555 1 374 . 1 1 37 37 ASP HA H 1 4.613 0.010 . 1 . . . . . . . . 6555 1 375 . 1 1 37 37 ASP CB C 13 39.082 0.300 . 1 . . . . . . . . 6555 1 376 . 1 1 37 37 ASP HB2 H 1 2.751 0.010 . 2 . . . . . . . . 6555 1 377 . 1 1 37 37 ASP HB3 H 1 3.085 0.010 . 2 . . . . . . . . 6555 1 378 . 1 1 37 37 ASP C C 13 179.290 0.300 . 1 . . . . . . . . 6555 1 379 . 1 1 38 38 MET N N 15 123.320 0.300 . 1 . . . . . . . . 6555 1 380 . 1 1 38 38 MET H H 1 8.067 0.010 . 1 . . . . . . . . 6555 1 381 . 1 1 38 38 MET CA C 13 58.619 0.300 . 1 . . . . . . . . 6555 1 382 . 1 1 38 38 MET HA H 1 4.902 0.010 . 1 . . . . . . . . 6555 1 383 . 1 1 38 38 MET CB C 13 34.208 0.300 . 1 . . . . . . . . 6555 1 384 . 1 1 38 38 MET HB2 H 1 2.210 0.010 . 2 . . . . . . . . 6555 1 385 . 1 1 38 38 MET HB3 H 1 1.826 0.010 . 2 . . . . . . . . 6555 1 386 . 1 1 38 38 MET CG C 13 30.646 0.300 . 1 . . . . . . . . 6555 1 387 . 1 1 38 38 MET HG2 H 1 2.411 0.010 . 2 . . . . . . . . 6555 1 388 . 1 1 38 38 MET HG3 H 1 2.086 0.010 . 2 . . . . . . . . 6555 1 389 . 1 1 38 38 MET HE1 H 1 0.387 0.010 . 1 . . . . . . . . 6555 1 390 . 1 1 38 38 MET HE2 H 1 0.387 0.010 . 1 . . . . . . . . 6555 1 391 . 1 1 38 38 MET HE3 H 1 0.387 0.010 . 1 . . . . . . . . 6555 1 392 . 1 1 38 38 MET CE C 13 15.636 0.300 . 1 . . . . . . . . 6555 1 393 . 1 1 38 38 MET C C 13 180.380 0.300 . 1 . . . . . . . . 6555 1 394 . 1 1 39 39 PHE N N 15 122.480 0.300 . 1 . . . . . . . . 6555 1 395 . 1 1 39 39 PHE H H 1 8.739 0.010 . 1 . . . . . . . . 6555 1 396 . 1 1 39 39 PHE CA C 13 62.269 0.300 . 1 . . . . . . . . 6555 1 397 . 1 1 39 39 PHE HA H 1 3.982 0.010 . 1 . . . . . . . . 6555 1 398 . 1 1 39 39 PHE CB C 13 39.497 0.300 . 1 . . . . . . . . 6555 1 399 . 1 1 39 39 PHE HB2 H 1 3.400 0.010 . 2 . . . . . . . . 6555 1 400 . 1 1 39 39 PHE HB3 H 1 3.641 0.010 . 2 . . . . . . . . 6555 1 401 . 1 1 39 39 PHE C C 13 176.740 0.300 . 1 . . . . . . . . 6555 1 402 . 1 1 40 40 GLU N N 15 114.430 0.300 . 1 . . . . . . . . 6555 1 403 . 1 1 40 40 GLU H H 1 7.345 0.010 . 1 . . . . . . . . 6555 1 404 . 1 1 40 40 GLU CA C 13 56.121 0.300 . 1 . . . . . . . . 6555 1 405 . 1 1 40 40 GLU HA H 1 4.379 0.010 . 1 . . . . . . . . 6555 1 406 . 1 1 40 40 GLU CB C 13 29.684 0.300 . 1 . . . . . . . . 6555 1 407 . 1 1 40 40 GLU HB2 H 1 2.216 0.010 . 2 . . . . . . . . 6555 1 408 . 1 1 40 40 GLU HB3 H 1 2.507 0.010 . 2 . . . . . . . . 6555 1 409 . 1 1 40 40 GLU CG C 13 36.117 0.300 . 1 . . . . . . . . 6555 1 410 . 1 1 40 40 GLU HG2 H 1 2.708 0.010 . 2 . . . . . . . . 6555 1 411 . 1 1 40 40 GLU HG3 H 1 2.510 0.010 . 2 . . . . . . . . 6555 1 412 . 1 1 40 40 GLU C C 13 176.680 0.300 . 1 . . . . . . . . 6555 1 413 . 1 1 41 41 GLY N N 15 106.870 0.300 . 1 . . . . . . . . 6555 1 414 . 1 1 41 41 GLY H H 1 7.890 0.010 . 1 . . . . . . . . 6555 1 415 . 1 1 41 41 GLY CA C 13 45.117 0.300 . 1 . . . . . . . . 6555 1 416 . 1 1 41 41 GLY HA2 H 1 4.479 0.010 . 2 . . . . . . . . 6555 1 417 . 1 1 41 41 GLY HA3 H 1 3.674 0.010 . 2 . . . . . . . . 6555 1 418 . 1 1 41 41 GLY C C 13 174.430 0.300 . 1 . . . . . . . . 6555 1 419 . 1 1 42 42 GLU N N 15 124.190 0.300 . 1 . . . . . . . . 6555 1 420 . 1 1 42 42 GLU H H 1 8.430 0.010 . 1 . . . . . . . . 6555 1 421 . 1 1 42 42 GLU CA C 13 57.084 0.300 . 1 . . . . . . . . 6555 1 422 . 1 1 42 42 GLU HA H 1 4.267 0.010 . 1 . . . . . . . . 6555 1 423 . 1 1 42 42 GLU CB C 13 30.660 0.300 . 1 . . . . . . . . 6555 1 424 . 1 1 42 42 GLU HB2 H 1 1.874 0.010 . 2 . . . . . . . . 6555 1 425 . 1 1 42 42 GLU CG C 13 35.900 0.300 . 1 . . . . . . . . 6555 1 426 . 1 1 42 42 GLU HG2 H 1 2.453 0.010 . 2 . . . . . . . . 6555 1 427 . 1 1 42 42 GLU C C 13 175.240 0.300 . 1 . . . . . . . . 6555 1 428 . 1 1 43 43 LYS N N 15 117.830 0.300 . 1 . . . . . . . . 6555 1 429 . 1 1 43 43 LYS H H 1 8.226 0.010 . 1 . . . . . . . . 6555 1 430 . 1 1 43 43 LYS CA C 13 55.203 0.300 . 1 . . . . . . . . 6555 1 431 . 1 1 43 43 LYS HA H 1 4.843 0.010 . 1 . . . . . . . . 6555 1 432 . 1 1 43 43 LYS CB C 13 33.690 0.300 . 1 . . . . . . . . 6555 1 433 . 1 1 43 43 LYS HB2 H 1 2.079 0.010 . 2 . . . . . . . . 6555 1 434 . 1 1 43 43 LYS CG C 13 23.672 0.300 . 1 . . . . . . . . 6555 1 435 . 1 1 43 43 LYS HG2 H 1 1.356 0.010 . 2 . . . . . . . . 6555 1 436 . 1 1 43 43 LYS CD C 13 29.221 0.300 . 1 . . . . . . . . 6555 1 437 . 1 1 43 43 LYS HD2 H 1 1.515 0.010 . 2 . . . . . . . . 6555 1 438 . 1 1 43 43 LYS CE C 13 41.743 0.300 . 1 . . . . . . . . 6555 1 439 . 1 1 43 43 LYS HE2 H 1 2.682 0.010 . 2 . . . . . . . . 6555 1 440 . 1 1 43 43 LYS C C 13 174.410 0.300 . 1 . . . . . . . . 6555 1 441 . 1 1 44 44 VAL N N 15 119.830 0.300 . 1 . . . . . . . . 6555 1 442 . 1 1 44 44 VAL H H 1 7.887 0.010 . 1 . . . . . . . . 6555 1 443 . 1 1 44 44 VAL CA C 13 61.178 0.300 . 1 . . . . . . . . 6555 1 444 . 1 1 44 44 VAL HA H 1 5.017 0.010 . 1 . . . . . . . . 6555 1 445 . 1 1 44 44 VAL CB C 13 33.504 0.300 . 1 . . . . . . . . 6555 1 446 . 1 1 44 44 VAL HB H 1 1.952 0.010 . 1 . . . . . . . . 6555 1 447 . 1 1 44 44 VAL HG11 H 1 0.854 0.010 . 2 . . . . . . . . 6555 1 448 . 1 1 44 44 VAL HG12 H 1 0.854 0.010 . 2 . . . . . . . . 6555 1 449 . 1 1 44 44 VAL HG13 H 1 0.854 0.010 . 2 . . . . . . . . 6555 1 450 . 1 1 44 44 VAL HG21 H 1 0.914 0.010 . 2 . . . . . . . . 6555 1 451 . 1 1 44 44 VAL HG22 H 1 0.914 0.010 . 2 . . . . . . . . 6555 1 452 . 1 1 44 44 VAL HG23 H 1 0.914 0.010 . 2 . . . . . . . . 6555 1 453 . 1 1 44 44 VAL CG1 C 13 22.040 0.300 . 1 . . . . . . . . 6555 1 454 . 1 1 44 44 VAL CG2 C 13 21.036 0.300 . 1 . . . . . . . . 6555 1 455 . 1 1 44 44 VAL C C 13 175.000 0.300 . 1 . . . . . . . . 6555 1 456 . 1 1 45 45 ALA N N 15 129.130 0.300 . 1 . . . . . . . . 6555 1 457 . 1 1 45 45 ALA H H 1 8.888 0.010 . 1 . . . . . . . . 6555 1 458 . 1 1 45 45 ALA CA C 13 50.041 0.300 . 1 . . . . . . . . 6555 1 459 . 1 1 45 45 ALA HA H 1 4.806 0.010 . 1 . . . . . . . . 6555 1 460 . 1 1 45 45 ALA HB1 H 1 0.948 0.010 . 1 . . . . . . . . 6555 1 461 . 1 1 45 45 ALA HB2 H 1 0.948 0.010 . 1 . . . . . . . . 6555 1 462 . 1 1 45 45 ALA HB3 H 1 0.948 0.010 . 1 . . . . . . . . 6555 1 463 . 1 1 45 45 ALA CB C 13 20.654 0.300 . 1 . . . . . . . . 6555 1 464 . 1 1 45 45 ALA C C 13 175.770 0.300 . 1 . . . . . . . . 6555 1 465 . 1 1 46 46 VAL N N 15 119.110 0.300 . 1 . . . . . . . . 6555 1 466 . 1 1 46 46 VAL H H 1 7.978 0.010 . 1 . . . . . . . . 6555 1 467 . 1 1 46 46 VAL CA C 13 60.690 0.300 . 1 . . . . . . . . 6555 1 468 . 1 1 46 46 VAL HA H 1 5.136 0.010 . 1 . . . . . . . . 6555 1 469 . 1 1 46 46 VAL CB C 13 35.831 0.300 . 1 . . . . . . . . 6555 1 470 . 1 1 46 46 VAL HB H 1 1.973 0.010 . 1 . . . . . . . . 6555 1 471 . 1 1 46 46 VAL HG11 H 1 0.916 0.010 . 2 . . . . . . . . 6555 1 472 . 1 1 46 46 VAL HG12 H 1 0.916 0.010 . 2 . . . . . . . . 6555 1 473 . 1 1 46 46 VAL HG13 H 1 0.916 0.010 . 2 . . . . . . . . 6555 1 474 . 1 1 46 46 VAL CG1 C 13 21.056 0.300 . 1 . . . . . . . . 6555 1 475 . 1 1 46 46 VAL C C 13 176.390 0.300 . 1 . . . . . . . . 6555 1 476 . 1 1 47 47 CYS N N 15 134.090 0.300 . 1 . . . . . . . . 6555 1 477 . 1 1 47 47 CYS H H 1 9.169 0.010 . 1 . . . . . . . . 6555 1 478 . 1 1 47 47 CYS CA C 13 56.084 0.300 . 1 . . . . . . . . 6555 1 479 . 1 1 47 47 CYS HA H 1 5.149 0.010 . 1 . . . . . . . . 6555 1 480 . 1 1 47 47 CYS CB C 13 30.680 0.300 . 1 . . . . . . . . 6555 1 481 . 1 1 47 47 CYS HB2 H 1 2.199 0.010 . 2 . . . . . . . . 6555 1 482 . 1 1 47 47 CYS HB3 H 1 2.904 0.010 . 2 . . . . . . . . 6555 1 483 . 1 1 48 48 PRO CD C 13 52.190 0.300 . 1 . . . . . . . . 6555 1 484 . 1 1 48 48 PRO CA C 13 64.220 0.300 . 1 . . . . . . . . 6555 1 485 . 1 1 48 48 PRO HA H 1 4.457 0.010 . 1 . . . . . . . . 6555 1 486 . 1 1 48 48 PRO CB C 13 32.505 0.300 . 1 . . . . . . . . 6555 1 487 . 1 1 48 48 PRO HB2 H 1 2.012 0.010 . 2 . . . . . . . . 6555 1 488 . 1 1 48 48 PRO HB3 H 1 2.261 0.010 . 2 . . . . . . . . 6555 1 489 . 1 1 48 48 PRO CG C 13 26.421 0.300 . 1 . . . . . . . . 6555 1 490 . 1 1 48 48 PRO HG2 H 1 2.114 0.010 . 2 . . . . . . . . 6555 1 491 . 1 1 48 48 PRO C C 13 177.680 0.300 . 1 . . . . . . . . 6555 1 492 . 1 1 49 49 SER N N 15 118.610 0.300 . 1 . . . . . . . . 6555 1 493 . 1 1 49 49 SER H H 1 9.181 0.010 . 1 . . . . . . . . 6555 1 494 . 1 1 49 49 SER CA C 13 61.720 0.300 . 1 . . . . . . . . 6555 1 495 . 1 1 49 49 SER HA H 1 4.462 0.010 . 1 . . . . . . . . 6555 1 496 . 1 1 49 49 SER CB C 13 63.240 0.300 . 1 . . . . . . . . 6555 1 497 . 1 1 49 49 SER HB2 H 1 3.692 0.010 . 2 . . . . . . . . 6555 1 498 . 1 1 49 49 SER C C 13 175.190 0.300 . 1 . . . . . . . . 6555 1 499 . 1 1 50 50 CYS N N 15 123.170 0.300 . 1 . . . . . . . . 6555 1 500 . 1 1 50 50 CYS H H 1 8.774 0.010 . 1 . . . . . . . . 6555 1 501 . 1 1 50 50 CYS CA C 13 58.848 0.300 . 1 . . . . . . . . 6555 1 502 . 1 1 50 50 CYS HA H 1 4.965 0.010 . 1 . . . . . . . . 6555 1 503 . 1 1 50 50 CYS CB C 13 31.190 0.300 . 1 . . . . . . . . 6555 1 504 . 1 1 50 50 CYS HB2 H 1 3.032 0.010 . 2 . . . . . . . . 6555 1 505 . 1 1 50 50 CYS C C 13 176.880 0.300 . 1 . . . . . . . . 6555 1 506 . 1 1 51 51 SER N N 15 114.750 0.300 . 1 . . . . . . . . 6555 1 507 . 1 1 51 51 SER H H 1 7.755 0.010 . 1 . . . . . . . . 6555 1 508 . 1 1 51 51 SER CA C 13 61.150 0.300 . 1 . . . . . . . . 6555 1 509 . 1 1 51 51 SER HA H 1 4.237 0.010 . 1 . . . . . . . . 6555 1 510 . 1 1 51 51 SER CB C 13 62.030 0.300 . 1 . . . . . . . . 6555 1 511 . 1 1 51 51 SER HB2 H 1 4.077 0.010 . 2 . . . . . . . . 6555 1 512 . 1 1 51 51 SER C C 13 173.720 0.300 . 1 . . . . . . . . 6555 1 513 . 1 1 52 52 LEU N N 15 125.090 0.300 . 1 . . . . . . . . 6555 1 514 . 1 1 52 52 LEU H H 1 8.769 0.010 . 1 . . . . . . . . 6555 1 515 . 1 1 52 52 LEU CA C 13 56.801 0.300 . 1 . . . . . . . . 6555 1 516 . 1 1 52 52 LEU HA H 1 4.427 0.010 . 1 . . . . . . . . 6555 1 517 . 1 1 52 52 LEU CB C 13 43.837 0.300 . 1 . . . . . . . . 6555 1 518 . 1 1 52 52 LEU HB2 H 1 1.581 0.010 . 2 . . . . . . . . 6555 1 519 . 1 1 52 52 LEU HB3 H 1 2.033 0.010 . 2 . . . . . . . . 6555 1 520 . 1 1 52 52 LEU CG C 13 27.289 0.300 . 1 . . . . . . . . 6555 1 521 . 1 1 52 52 LEU HG H 1 2.038 0.010 . 1 . . . . . . . . 6555 1 522 . 1 1 52 52 LEU HD11 H 1 0.880 0.010 . 2 . . . . . . . . 6555 1 523 . 1 1 52 52 LEU HD12 H 1 0.880 0.010 . 2 . . . . . . . . 6555 1 524 . 1 1 52 52 LEU HD13 H 1 0.880 0.010 . 2 . . . . . . . . 6555 1 525 . 1 1 52 52 LEU CD1 C 13 23.955 0.300 . 1 . . . . . . . . 6555 1 526 . 1 1 52 52 LEU C C 13 175.320 0.300 . 1 . . . . . . . . 6555 1 527 . 1 1 53 53 MET N N 15 118.070 0.300 . 1 . . . . . . . . 6555 1 528 . 1 1 53 53 MET H H 1 8.063 0.010 . 1 . . . . . . . . 6555 1 529 . 1 1 53 53 MET CA C 13 54.392 0.300 . 1 . . . . . . . . 6555 1 530 . 1 1 53 53 MET HA H 1 5.722 0.010 . 1 . . . . . . . . 6555 1 531 . 1 1 53 53 MET CB C 13 37.354 0.300 . 1 . . . . . . . . 6555 1 532 . 1 1 53 53 MET HB2 H 1 1.901 0.010 . 2 . . . . . . . . 6555 1 533 . 1 1 53 53 MET CG C 13 32.260 0.300 . 1 . . . . . . . . 6555 1 534 . 1 1 53 53 MET HG2 H 1 2.463 0.010 . 2 . . . . . . . . 6555 1 535 . 1 1 53 53 MET HG3 H 1 2.686 0.010 . 2 . . . . . . . . 6555 1 536 . 1 1 53 53 MET HE1 H 1 2.049 0.010 . 1 . . . . . . . . 6555 1 537 . 1 1 53 53 MET HE2 H 1 2.049 0.010 . 1 . . . . . . . . 6555 1 538 . 1 1 53 53 MET HE3 H 1 2.049 0.010 . 1 . . . . . . . . 6555 1 539 . 1 1 53 53 MET CE C 13 17.220 0.300 . 1 . . . . . . . . 6555 1 540 . 1 1 53 53 MET C C 13 174.750 0.300 . 1 . . . . . . . . 6555 1 541 . 1 1 54 54 ILE N N 15 113.540 0.300 . 1 . . . . . . . . 6555 1 542 . 1 1 54 54 ILE H H 1 8.486 0.010 . 1 . . . . . . . . 6555 1 543 . 1 1 54 54 ILE CA C 13 59.857 0.300 . 1 . . . . . . . . 6555 1 544 . 1 1 54 54 ILE HA H 1 4.666 0.010 . 1 . . . . . . . . 6555 1 545 . 1 1 54 54 ILE CB C 13 40.964 0.300 . 1 . . . . . . . . 6555 1 546 . 1 1 54 54 ILE HB H 1 1.197 0.010 . 1 . . . . . . . . 6555 1 547 . 1 1 54 54 ILE HG21 H 1 -0.025 0.010 . 1 . . . . . . . . 6555 1 548 . 1 1 54 54 ILE HG22 H 1 -0.025 0.010 . 1 . . . . . . . . 6555 1 549 . 1 1 54 54 ILE HG23 H 1 -0.025 0.010 . 1 . . . . . . . . 6555 1 550 . 1 1 54 54 ILE CG2 C 13 18.041 0.300 . 1 . . . . . . . . 6555 1 551 . 1 1 54 54 ILE HD11 H 1 0.138 0.010 . 1 . . . . . . . . 6555 1 552 . 1 1 54 54 ILE HD12 H 1 0.138 0.010 . 1 . . . . . . . . 6555 1 553 . 1 1 54 54 ILE HD13 H 1 0.138 0.010 . 1 . . . . . . . . 6555 1 554 . 1 1 54 54 ILE CD1 C 13 13.274 0.300 . 1 . . . . . . . . 6555 1 555 . 1 1 54 54 ILE C C 13 174.210 0.300 . 1 . . . . . . . . 6555 1 556 . 1 1 55 55 ASP N N 15 121.740 0.300 . 1 . . . . . . . . 6555 1 557 . 1 1 55 55 ASP H H 1 8.067 0.010 . 1 . . . . . . . . 6555 1 558 . 1 1 55 55 ASP CA C 13 54.163 0.300 . 1 . . . . . . . . 6555 1 559 . 1 1 55 55 ASP HA H 1 5.109 0.010 . 1 . . . . . . . . 6555 1 560 . 1 1 55 55 ASP CB C 13 42.882 0.300 . 1 . . . . . . . . 6555 1 561 . 1 1 55 55 ASP HB2 H 1 2.525 0.010 . 2 . . . . . . . . 6555 1 562 . 1 1 55 55 ASP HB3 H 1 2.366 0.010 . 2 . . . . . . . . 6555 1 563 . 1 1 55 55 ASP C C 13 174.780 0.300 . 1 . . . . . . . . 6555 1 564 . 1 1 56 56 VAL N N 15 122.270 0.300 . 1 . . . . . . . . 6555 1 565 . 1 1 56 56 VAL H H 1 8.883 0.010 . 1 . . . . . . . . 6555 1 566 . 1 1 56 56 VAL CA C 13 60.746 0.300 . 1 . . . . . . . . 6555 1 567 . 1 1 56 56 VAL HA H 1 4.800 0.010 . 1 . . . . . . . . 6555 1 568 . 1 1 56 56 VAL CB C 13 32.809 0.300 . 1 . . . . . . . . 6555 1 569 . 1 1 56 56 VAL HB H 1 1.785 0.010 . 1 . . . . . . . . 6555 1 570 . 1 1 56 56 VAL HG11 H 1 0.643 0.010 . 2 . . . . . . . . 6555 1 571 . 1 1 56 56 VAL HG12 H 1 0.643 0.010 . 2 . . . . . . . . 6555 1 572 . 1 1 56 56 VAL HG13 H 1 0.643 0.010 . 2 . . . . . . . . 6555 1 573 . 1 1 56 56 VAL HG21 H 1 0.564 0.010 . 2 . . . . . . . . 6555 1 574 . 1 1 56 56 VAL HG22 H 1 0.564 0.010 . 2 . . . . . . . . 6555 1 575 . 1 1 56 56 VAL HG23 H 1 0.564 0.010 . 2 . . . . . . . . 6555 1 576 . 1 1 56 56 VAL CG1 C 13 21.345 0.300 . 1 . . . . . . . . 6555 1 577 . 1 1 56 56 VAL CG2 C 13 21.264 0.300 . 1 . . . . . . . . 6555 1 578 . 1 1 56 56 VAL C C 13 174.040 0.300 . 1 . . . . . . . . 6555 1 579 . 1 1 57 57 VAL N N 15 127.970 0.300 . 1 . . . . . . . . 6555 1 580 . 1 1 57 57 VAL H H 1 8.752 0.010 . 1 . . . . . . . . 6555 1 581 . 1 1 57 57 VAL CA C 13 62.348 0.300 . 1 . . . . . . . . 6555 1 582 . 1 1 57 57 VAL HA H 1 3.995 0.010 . 1 . . . . . . . . 6555 1 583 . 1 1 57 57 VAL CB C 13 32.661 0.300 . 1 . . . . . . . . 6555 1 584 . 1 1 57 57 VAL HB H 1 1.786 0.010 . 1 . . . . . . . . 6555 1 585 . 1 1 57 57 VAL HG11 H 1 0.638 0.010 . 2 . . . . . . . . 6555 1 586 . 1 1 57 57 VAL HG12 H 1 0.638 0.010 . 2 . . . . . . . . 6555 1 587 . 1 1 57 57 VAL HG13 H 1 0.638 0.010 . 2 . . . . . . . . 6555 1 588 . 1 1 57 57 VAL HG21 H 1 0.786 0.010 . 2 . . . . . . . . 6555 1 589 . 1 1 57 57 VAL HG22 H 1 0.786 0.010 . 2 . . . . . . . . 6555 1 590 . 1 1 57 57 VAL HG23 H 1 0.786 0.010 . 2 . . . . . . . . 6555 1 591 . 1 1 57 57 VAL CG1 C 13 20.076 0.300 . 1 . . . . . . . . 6555 1 592 . 1 1 57 57 VAL CG2 C 13 20.130 0.300 . 1 . . . . . . . . 6555 1 593 . 1 1 57 57 VAL C C 13 175.630 0.300 . 1 . . . . . . . . 6555 1 594 . 1 1 58 58 PHE N N 15 123.700 0.300 . 1 . . . . . . . . 6555 1 595 . 1 1 58 58 PHE H H 1 7.884 0.010 . 1 . . . . . . . . 6555 1 596 . 1 1 58 58 PHE CA C 13 56.450 0.300 . 1 . . . . . . . . 6555 1 597 . 1 1 58 58 PHE HA H 1 4.791 0.010 . 1 . . . . . . . . 6555 1 598 . 1 1 58 58 PHE CB C 13 40.538 0.300 . 1 . . . . . . . . 6555 1 599 . 1 1 58 58 PHE HB2 H 1 2.886 0.010 . 2 . . . . . . . . 6555 1 600 . 1 1 58 58 PHE HB3 H 1 3.045 0.010 . 2 . . . . . . . . 6555 1 601 . 1 1 58 58 PHE C C 13 171.910 0.300 . 1 . . . . . . . . 6555 1 602 . 1 1 59 59 ASP N N 15 121.070 0.300 . 1 . . . . . . . . 6555 1 603 . 1 1 59 59 ASP H H 1 9.184 0.010 . 1 . . . . . . . . 6555 1 604 . 1 1 59 59 ASP CA C 13 52.168 0.300 . 1 . . . . . . . . 6555 1 605 . 1 1 59 59 ASP HA H 1 4.891 0.010 . 1 . . . . . . . . 6555 1 606 . 1 1 59 59 ASP CB C 13 43.777 0.300 . 1 . . . . . . . . 6555 1 607 . 1 1 59 59 ASP HB2 H 1 2.539 0.010 . 2 . . . . . . . . 6555 1 608 . 1 1 59 59 ASP HB3 H 1 2.855 0.010 . 2 . . . . . . . . 6555 1 609 . 1 1 59 59 ASP C C 13 177.510 0.300 . 1 . . . . . . . . 6555 1 610 . 1 1 60 60 LYS N N 15 125.610 0.300 . 1 . . . . . . . . 6555 1 611 . 1 1 60 60 LYS H H 1 8.996 0.010 . 1 . . . . . . . . 6555 1 612 . 1 1 60 60 LYS CA C 13 60.620 0.300 . 1 . . . . . . . . 6555 1 613 . 1 1 60 60 LYS HA H 1 4.009 0.010 . 1 . . . . . . . . 6555 1 614 . 1 1 60 60 LYS CB C 13 32.163 0.300 . 1 . . . . . . . . 6555 1 615 . 1 1 60 60 LYS HB2 H 1 1.803 0.010 . 2 . . . . . . . . 6555 1 616 . 1 1 60 60 LYS HB3 H 1 1.977 0.010 . 2 . . . . . . . . 6555 1 617 . 1 1 60 60 LYS CG C 13 24.925 0.300 . 1 . . . . . . . . 6555 1 618 . 1 1 60 60 LYS HG2 H 1 1.419 0.010 . 2 . . . . . . . . 6555 1 619 . 1 1 60 60 LYS CD C 13 28.870 0.300 . 1 . . . . . . . . 6555 1 620 . 1 1 60 60 LYS HD2 H 1 1.558 0.010 . 2 . . . . . . . . 6555 1 621 . 1 1 60 60 LYS CE C 13 41.592 0.300 . 1 . . . . . . . . 6555 1 622 . 1 1 60 60 LYS HE2 H 1 2.585 0.010 . 2 . . . . . . . . 6555 1 623 . 1 1 60 60 LYS C C 13 178.950 0.300 . 1 . . . . . . . . 6555 1 624 . 1 1 61 61 GLU N N 15 117.300 0.300 . 1 . . . . . . . . 6555 1 625 . 1 1 61 61 GLU H H 1 9.240 0.010 . 1 . . . . . . . . 6555 1 626 . 1 1 61 61 GLU CA C 13 59.205 0.300 . 1 . . . . . . . . 6555 1 627 . 1 1 61 61 GLU HA H 1 4.177 0.010 . 1 . . . . . . . . 6555 1 628 . 1 1 61 61 GLU CB C 13 28.982 0.300 . 1 . . . . . . . . 6555 1 629 . 1 1 61 61 GLU HB2 H 1 2.081 0.010 . 2 . . . . . . . . 6555 1 630 . 1 1 61 61 GLU CG C 13 36.048 0.300 . 1 . . . . . . . . 6555 1 631 . 1 1 61 61 GLU HG2 H 1 2.279 0.010 . 2 . . . . . . . . 6555 1 632 . 1 1 61 61 GLU HG3 H 1 2.345 0.010 . 2 . . . . . . . . 6555 1 633 . 1 1 61 61 GLU C C 13 178.420 0.300 . 1 . . . . . . . . 6555 1 634 . 1 1 62 62 ASP N N 15 118.610 0.300 . 1 . . . . . . . . 6555 1 635 . 1 1 62 62 ASP H H 1 8.212 0.010 . 1 . . . . . . . . 6555 1 636 . 1 1 62 62 ASP CA C 13 56.240 0.300 . 1 . . . . . . . . 6555 1 637 . 1 1 62 62 ASP HA H 1 4.668 0.010 . 1 . . . . . . . . 6555 1 638 . 1 1 62 62 ASP CB C 13 41.710 0.300 . 1 . . . . . . . . 6555 1 639 . 1 1 62 62 ASP HB2 H 1 2.998 0.010 . 2 . . . . . . . . 6555 1 640 . 1 1 62 62 ASP HB3 H 1 3.147 0.010 . 2 . . . . . . . . 6555 1 641 . 1 1 62 62 ASP C C 13 177.710 0.300 . 1 . . . . . . . . 6555 1 642 . 1 1 63 63 LEU N N 15 113.420 0.300 . 1 . . . . . . . . 6555 1 643 . 1 1 63 63 LEU H H 1 7.834 0.010 . 1 . . . . . . . . 6555 1 644 . 1 1 63 63 LEU CA C 13 56.675 0.300 . 1 . . . . . . . . 6555 1 645 . 1 1 63 63 LEU HA H 1 4.394 0.010 . 1 . . . . . . . . 6555 1 646 . 1 1 63 63 LEU CB C 13 41.173 0.300 . 1 . . . . . . . . 6555 1 647 . 1 1 63 63 LEU HB2 H 1 1.814 0.010 . 2 . . . . . . . . 6555 1 648 . 1 1 63 63 LEU HB3 H 1 2.334 0.010 . 2 . . . . . . . . 6555 1 649 . 1 1 63 63 LEU CG C 13 26.486 0.300 . 1 . . . . . . . . 6555 1 650 . 1 1 63 63 LEU HG H 1 2.100 0.010 . 1 . . . . . . . . 6555 1 651 . 1 1 63 63 LEU HD11 H 1 1.109 0.010 . 2 . . . . . . . . 6555 1 652 . 1 1 63 63 LEU HD12 H 1 1.109 0.010 . 2 . . . . . . . . 6555 1 653 . 1 1 63 63 LEU HD13 H 1 1.109 0.010 . 2 . . . . . . . . 6555 1 654 . 1 1 63 63 LEU HD21 H 1 0.396 0.010 . 2 . . . . . . . . 6555 1 655 . 1 1 63 63 LEU HD22 H 1 0.396 0.010 . 2 . . . . . . . . 6555 1 656 . 1 1 63 63 LEU HD23 H 1 0.396 0.010 . 2 . . . . . . . . 6555 1 657 . 1 1 63 63 LEU CD1 C 13 25.512 0.300 . 1 . . . . . . . . 6555 1 658 . 1 1 63 63 LEU CD2 C 13 20.416 0.300 . 1 . . . . . . . . 6555 1 659 . 1 1 63 63 LEU C C 13 178.870 0.300 . 1 . . . . . . . . 6555 1 660 . 1 1 64 64 ALA N N 15 121.690 0.300 . 1 . . . . . . . . 6555 1 661 . 1 1 64 64 ALA H H 1 7.740 0.010 . 1 . . . . . . . . 6555 1 662 . 1 1 64 64 ALA CA C 13 56.518 0.300 . 1 . . . . . . . . 6555 1 663 . 1 1 64 64 ALA HA H 1 4.195 0.010 . 1 . . . . . . . . 6555 1 664 . 1 1 64 64 ALA HB1 H 1 1.604 0.010 . 1 . . . . . . . . 6555 1 665 . 1 1 64 64 ALA HB2 H 1 1.604 0.010 . 1 . . . . . . . . 6555 1 666 . 1 1 64 64 ALA HB3 H 1 1.604 0.010 . 1 . . . . . . . . 6555 1 667 . 1 1 64 64 ALA CB C 13 17.977 0.300 . 1 . . . . . . . . 6555 1 668 . 1 1 64 64 ALA C C 13 179.930 0.300 . 1 . . . . . . . . 6555 1 669 . 1 1 65 65 GLU N N 15 115.840 0.300 . 1 . . . . . . . . 6555 1 670 . 1 1 65 65 GLU H H 1 8.230 0.010 . 1 . . . . . . . . 6555 1 671 . 1 1 65 65 GLU CA C 13 59.066 0.300 . 1 . . . . . . . . 6555 1 672 . 1 1 65 65 GLU HA H 1 4.047 0.010 . 1 . . . . . . . . 6555 1 673 . 1 1 65 65 GLU CB C 13 29.307 0.300 . 1 . . . . . . . . 6555 1 674 . 1 1 65 65 GLU HB2 H 1 1.866 0.010 . 2 . . . . . . . . 6555 1 675 . 1 1 65 65 GLU HB3 H 1 1.597 0.010 . 2 . . . . . . . . 6555 1 676 . 1 1 65 65 GLU CG C 13 35.262 0.300 . 1 . . . . . . . . 6555 1 677 . 1 1 65 65 GLU HG2 H 1 1.766 0.010 . 2 . . . . . . . . 6555 1 678 . 1 1 65 65 GLU HG3 H 1 1.928 0.010 . 2 . . . . . . . . 6555 1 679 . 1 1 65 65 GLU C C 13 177.970 0.300 . 1 . . . . . . . . 6555 1 680 . 1 1 66 66 TYR N N 15 119.740 0.300 . 1 . . . . . . . . 6555 1 681 . 1 1 66 66 TYR H H 1 7.262 0.010 . 1 . . . . . . . . 6555 1 682 . 1 1 66 66 TYR CA C 13 61.143 0.300 . 1 . . . . . . . . 6555 1 683 . 1 1 66 66 TYR HA H 1 3.868 0.010 . 1 . . . . . . . . 6555 1 684 . 1 1 66 66 TYR CB C 13 36.762 0.300 . 1 . . . . . . . . 6555 1 685 . 1 1 66 66 TYR HB2 H 1 2.466 0.010 . 2 . . . . . . . . 6555 1 686 . 1 1 66 66 TYR HB3 H 1 1.884 0.010 . 2 . . . . . . . . 6555 1 687 . 1 1 66 66 TYR C C 13 177.520 0.300 . 1 . . . . . . . . 6555 1 688 . 1 1 67 67 TYR N N 15 118.390 0.300 . 1 . . . . . . . . 6555 1 689 . 1 1 67 67 TYR H H 1 7.671 0.010 . 1 . . . . . . . . 6555 1 690 . 1 1 67 67 TYR CA C 13 64.299 0.300 . 1 . . . . . . . . 6555 1 691 . 1 1 67 67 TYR HA H 1 3.855 0.010 . 1 . . . . . . . . 6555 1 692 . 1 1 67 67 TYR CB C 13 37.108 0.300 . 1 . . . . . . . . 6555 1 693 . 1 1 67 67 TYR HB2 H 1 2.943 0.010 . 2 . . . . . . . . 6555 1 694 . 1 1 67 67 TYR HB3 H 1 3.157 0.010 . 2 . . . . . . . . 6555 1 695 . 1 1 67 67 TYR C C 13 177.900 0.300 . 1 . . . . . . . . 6555 1 696 . 1 1 68 68 GLU N N 15 117.440 0.300 . 1 . . . . . . . . 6555 1 697 . 1 1 68 68 GLU H H 1 7.828 0.010 . 1 . . . . . . . . 6555 1 698 . 1 1 68 68 GLU CA C 13 59.213 0.300 . 1 . . . . . . . . 6555 1 699 . 1 1 68 68 GLU HA H 1 4.177 0.010 . 1 . . . . . . . . 6555 1 700 . 1 1 68 68 GLU CB C 13 28.982 0.300 . 1 . . . . . . . . 6555 1 701 . 1 1 68 68 GLU HB2 H 1 2.086 0.010 . 2 . . . . . . . . 6555 1 702 . 1 1 68 68 GLU CG C 13 36.120 0.300 . 1 . . . . . . . . 6555 1 703 . 1 1 68 68 GLU HG2 H 1 2.267 0.010 . 2 . . . . . . . . 6555 1 704 . 1 1 68 68 GLU HG3 H 1 2.349 0.010 . 2 . . . . . . . . 6555 1 705 . 1 1 68 68 GLU C C 13 180.290 0.300 . 1 . . . . . . . . 6555 1 706 . 1 1 69 69 GLU N N 15 121.720 0.300 . 1 . . . . . . . . 6555 1 707 . 1 1 69 69 GLU H H 1 8.125 0.010 . 1 . . . . . . . . 6555 1 708 . 1 1 69 69 GLU CA C 13 59.112 0.300 . 1 . . . . . . . . 6555 1 709 . 1 1 69 69 GLU HA H 1 4.088 0.010 . 1 . . . . . . . . 6555 1 710 . 1 1 69 69 GLU CB C 13 29.546 0.300 . 1 . . . . . . . . 6555 1 711 . 1 1 69 69 GLU HB2 H 1 2.257 0.010 . 2 . . . . . . . . 6555 1 712 . 1 1 69 69 GLU HB3 H 1 2.283 0.010 . 2 . . . . . . . . 6555 1 713 . 1 1 69 69 GLU CG C 13 35.485 0.300 . 1 . . . . . . . . 6555 1 714 . 1 1 69 69 GLU HG2 H 1 2.495 0.010 . 2 . . . . . . . . 6555 1 715 . 1 1 69 69 GLU C C 13 177.940 0.300 . 1 . . . . . . . . 6555 1 716 . 1 1 70 70 ALA N N 15 118.700 0.300 . 1 . . . . . . . . 6555 1 717 . 1 1 70 70 ALA H H 1 8.024 0.010 . 1 . . . . . . . . 6555 1 718 . 1 1 70 70 ALA CA C 13 52.239 0.300 . 1 . . . . . . . . 6555 1 719 . 1 1 70 70 ALA HA H 1 4.331 0.010 . 1 . . . . . . . . 6555 1 720 . 1 1 70 70 ALA HB1 H 1 1.600 0.010 . 1 . . . . . . . . 6555 1 721 . 1 1 70 70 ALA HB2 H 1 1.600 0.010 . 1 . . . . . . . . 6555 1 722 . 1 1 70 70 ALA HB3 H 1 1.600 0.010 . 1 . . . . . . . . 6555 1 723 . 1 1 70 70 ALA CB C 13 19.289 0.300 . 1 . . . . . . . . 6555 1 724 . 1 1 70 70 ALA C C 13 177.000 0.300 . 1 . . . . . . . . 6555 1 725 . 1 1 71 71 GLY N N 15 108.310 0.300 . 1 . . . . . . . . 6555 1 726 . 1 1 71 71 GLY H H 1 8.055 0.010 . 1 . . . . . . . . 6555 1 727 . 1 1 71 71 GLY CA C 13 46.220 0.300 . 1 . . . . . . . . 6555 1 728 . 1 1 71 71 GLY HA2 H 1 4.003 0.010 . 2 . . . . . . . . 6555 1 729 . 1 1 71 71 GLY HA3 H 1 3.901 0.010 . 2 . . . . . . . . 6555 1 730 . 1 1 71 71 GLY C C 13 174.380 0.300 . 1 . . . . . . . . 6555 1 731 . 1 1 72 72 ILE N N 15 116.150 0.300 . 1 . . . . . . . . 6555 1 732 . 1 1 72 72 ILE H H 1 7.793 0.010 . 1 . . . . . . . . 6555 1 733 . 1 1 72 72 ILE CA C 13 59.257 0.300 . 1 . . . . . . . . 6555 1 734 . 1 1 72 72 ILE HA H 1 4.522 0.010 . 1 . . . . . . . . 6555 1 735 . 1 1 72 72 ILE CB C 13 41.344 0.300 . 1 . . . . . . . . 6555 1 736 . 1 1 72 72 ILE HB H 1 1.941 0.010 . 1 . . . . . . . . 6555 1 737 . 1 1 72 72 ILE HG21 H 1 0.891 0.010 . 1 . . . . . . . . 6555 1 738 . 1 1 72 72 ILE HG22 H 1 0.891 0.010 . 1 . . . . . . . . 6555 1 739 . 1 1 72 72 ILE HG23 H 1 0.891 0.010 . 1 . . . . . . . . 6555 1 740 . 1 1 72 72 ILE CG2 C 13 17.780 0.300 . 1 . . . . . . . . 6555 1 741 . 1 1 72 72 ILE CG1 C 13 26.743 0.300 . 1 . . . . . . . . 6555 1 742 . 1 1 72 72 ILE HG12 H 1 1.433 0.010 . 2 . . . . . . . . 6555 1 743 . 1 1 72 72 ILE HG13 H 1 1.053 0.010 . 2 . . . . . . . . 6555 1 744 . 1 1 72 72 ILE HD11 H 1 0.851 0.010 . 1 . . . . . . . . 6555 1 745 . 1 1 72 72 ILE HD12 H 1 0.851 0.010 . 1 . . . . . . . . 6555 1 746 . 1 1 72 72 ILE HD13 H 1 0.851 0.010 . 1 . . . . . . . . 6555 1 747 . 1 1 72 72 ILE CD1 C 13 13.543 0.300 . 1 . . . . . . . . 6555 1 748 . 1 1 72 72 ILE C C 13 174.460 0.300 . 1 . . . . . . . . 6555 1 749 . 1 1 73 73 HIS N N 15 121.440 0.300 . 1 . . . . . . . . 6555 1 750 . 1 1 73 73 HIS H H 1 8.346 0.010 . 1 . . . . . . . . 6555 1 751 . 1 1 73 73 HIS CA C 13 53.420 0.300 . 1 . . . . . . . . 6555 1 752 . 1 1 73 73 HIS HA H 1 4.900 0.010 . 1 . . . . . . . . 6555 1 753 . 1 1 73 73 HIS CB C 13 29.800 0.300 . 1 . . . . . . . . 6555 1 754 . 1 1 73 73 HIS HB2 H 1 2.906 0.010 . 2 . . . . . . . . 6555 1 755 . 1 1 73 73 HIS HB3 H 1 3.117 0.010 . 2 . . . . . . . . 6555 1 756 . 1 1 73 73 HIS C C 13 172.410 0.300 . 1 . . . . . . . . 6555 1 757 . 1 1 74 74 PRO CD C 13 50.226 0.300 . 1 . . . . . . . . 6555 1 758 . 1 1 74 74 PRO CA C 13 61.184 0.300 . 1 . . . . . . . . 6555 1 759 . 1 1 74 74 PRO HA H 1 3.633 0.010 . 1 . . . . . . . . 6555 1 760 . 1 1 74 74 PRO CB C 13 29.915 0.300 . 1 . . . . . . . . 6555 1 761 . 1 1 74 74 PRO HB2 H 1 1.153 0.010 . 2 . . . . . . . . 6555 1 762 . 1 1 74 74 PRO HB3 H 1 1.322 0.010 . 2 . . . . . . . . 6555 1 763 . 1 1 74 74 PRO CG C 13 26.853 0.300 . 1 . . . . . . . . 6555 1 764 . 1 1 74 74 PRO HG2 H 1 1.384 0.010 . 2 . . . . . . . . 6555 1 765 . 1 1 74 74 PRO HG3 H 1 1.753 0.010 . 2 . . . . . . . . 6555 1 766 . 1 1 74 74 PRO HD2 H 1 3.329 0.010 . 1 . . . . . . . . 6555 1 767 . 1 1 74 74 PRO HD3 H 1 3.329 0.010 . 1 . . . . . . . . 6555 1 768 . 1 1 75 75 PRO CD C 13 49.995 0.300 . 1 . . . . . . . . 6555 1 769 . 1 1 75 75 PRO CA C 13 62.480 0.300 . 1 . . . . . . . . 6555 1 770 . 1 1 75 75 PRO HA H 1 4.815 0.010 . 1 . . . . . . . . 6555 1 771 . 1 1 75 75 PRO CB C 13 34.170 0.300 . 1 . . . . . . . . 6555 1 772 . 1 1 75 75 PRO HD2 H 1 3.132 0.010 . 2 . . . . . . . . 6555 1 773 . 1 1 75 75 PRO HD3 H 1 2.210 0.010 . 2 . . . . . . . . 6555 1 774 . 1 1 76 76 GLU N N 15 121.780 0.300 . 1 . . . . . . . . 6555 1 775 . 1 1 76 76 GLU H H 1 8.458 0.010 . 1 . . . . . . . . 6555 1 776 . 1 1 76 76 GLU HA H 1 4.154 0.010 . 1 . . . . . . . . 6555 1 777 . 1 1 77 77 PRO CD C 13 50.525 0.300 . 1 . . . . . . . . 6555 1 778 . 1 1 77 77 PRO CA C 13 63.198 0.300 . 1 . . . . . . . . 6555 1 779 . 1 1 77 77 PRO HA H 1 4.442 0.010 . 1 . . . . . . . . 6555 1 780 . 1 1 77 77 PRO CB C 13 32.090 0.300 . 1 . . . . . . . . 6555 1 781 . 1 1 77 77 PRO HB2 H 1 1.865 0.010 . 2 . . . . . . . . 6555 1 782 . 1 1 77 77 PRO HB3 H 1 2.292 0.010 . 2 . . . . . . . . 6555 1 783 . 1 1 77 77 PRO CG C 13 27.340 0.300 . 1 . . . . . . . . 6555 1 784 . 1 1 77 77 PRO HG2 H 1 2.031 0.010 . 2 . . . . . . . . 6555 1 785 . 1 1 77 77 PRO HG3 H 1 2.026 0.010 . 2 . . . . . . . . 6555 1 786 . 1 1 77 77 PRO HD2 H 1 3.668 0.010 . 2 . . . . . . . . 6555 1 787 . 1 1 77 77 PRO HD3 H 1 3.822 0.010 . 2 . . . . . . . . 6555 1 788 . 1 1 77 77 PRO C C 13 177.040 0.300 . 1 . . . . . . . . 6555 1 789 . 1 1 78 78 ILE N N 15 121.930 0.300 . 1 . . . . . . . . 6555 1 790 . 1 1 78 78 ILE H H 1 8.340 0.010 . 1 . . . . . . . . 6555 1 791 . 1 1 78 78 ILE CA C 13 61.205 0.300 . 1 . . . . . . . . 6555 1 792 . 1 1 78 78 ILE HA H 1 4.112 0.010 . 1 . . . . . . . . 6555 1 793 . 1 1 78 78 ILE CB C 13 38.801 0.300 . 1 . . . . . . . . 6555 1 794 . 1 1 78 78 ILE HB H 1 1.842 0.010 . 1 . . . . . . . . 6555 1 795 . 1 1 78 78 ILE HG21 H 1 0.934 0.010 . 1 . . . . . . . . 6555 1 796 . 1 1 78 78 ILE HG22 H 1 0.934 0.010 . 1 . . . . . . . . 6555 1 797 . 1 1 78 78 ILE HG23 H 1 0.934 0.010 . 1 . . . . . . . . 6555 1 798 . 1 1 78 78 ILE CG2 C 13 17.590 0.300 . 1 . . . . . . . . 6555 1 799 . 1 1 78 78 ILE CG1 C 13 27.571 0.300 . 1 . . . . . . . . 6555 1 800 . 1 1 78 78 ILE HG12 H 1 1.193 0.010 . 2 . . . . . . . . 6555 1 801 . 1 1 78 78 ILE HG13 H 1 1.595 0.010 . 2 . . . . . . . . 6555 1 802 . 1 1 78 78 ILE HD11 H 1 0.920 0.010 . 1 . . . . . . . . 6555 1 803 . 1 1 78 78 ILE HD12 H 1 0.920 0.010 . 1 . . . . . . . . 6555 1 804 . 1 1 78 78 ILE HD13 H 1 0.920 0.010 . 1 . . . . . . . . 6555 1 805 . 1 1 78 78 ILE CD1 C 13 13.157 0.300 . 1 . . . . . . . . 6555 1 806 . 1 1 78 78 ILE C C 13 176.040 0.300 . 1 . . . . . . . . 6555 1 807 . 1 1 79 79 ALA N N 15 128.610 0.300 . 1 . . . . . . . . 6555 1 808 . 1 1 79 79 ALA H H 1 8.400 0.010 . 1 . . . . . . . . 6555 1 809 . 1 1 79 79 ALA CA C 13 52.251 0.300 . 1 . . . . . . . . 6555 1 810 . 1 1 79 79 ALA HA H 1 4.282 0.010 . 1 . . . . . . . . 6555 1 811 . 1 1 79 79 ALA HB1 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 812 . 1 1 79 79 ALA HB2 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 813 . 1 1 79 79 ALA HB3 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 814 . 1 1 79 79 ALA CB C 13 19.104 0.300 . 1 . . . . . . . . 6555 1 815 . 1 1 79 79 ALA C C 13 177.240 0.300 . 1 . . . . . . . . 6555 1 816 . 1 1 80 80 ALA N N 15 123.710 0.300 . 1 . . . . . . . . 6555 1 817 . 1 1 80 80 ALA H H 1 8.277 0.010 . 1 . . . . . . . . 6555 1 818 . 1 1 80 80 ALA CA C 13 52.251 0.300 . 1 . . . . . . . . 6555 1 819 . 1 1 80 80 ALA HA H 1 4.280 0.010 . 1 . . . . . . . . 6555 1 820 . 1 1 80 80 ALA HB1 H 1 1.365 0.010 . 1 . . . . . . . . 6555 1 821 . 1 1 80 80 ALA HB2 H 1 1.365 0.010 . 1 . . . . . . . . 6555 1 822 . 1 1 80 80 ALA HB3 H 1 1.365 0.010 . 1 . . . . . . . . 6555 1 823 . 1 1 80 80 ALA CB C 13 19.104 0.300 . 1 . . . . . . . . 6555 1 824 . 1 1 80 80 ALA C C 13 171.950 0.300 . 1 . . . . . . . . 6555 1 825 . 1 1 81 81 ALA N N 15 123.750 0.300 . 1 . . . . . . . . 6555 1 826 . 1 1 81 81 ALA H H 1 8.325 0.010 . 1 . . . . . . . . 6555 1 827 . 1 1 81 81 ALA CA C 13 52.251 0.300 . 1 . . . . . . . . 6555 1 828 . 1 1 81 81 ALA HA H 1 4.282 0.010 . 1 . . . . . . . . 6555 1 829 . 1 1 81 81 ALA HB1 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 830 . 1 1 81 81 ALA HB2 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 831 . 1 1 81 81 ALA HB3 H 1 1.363 0.010 . 1 . . . . . . . . 6555 1 832 . 1 1 81 81 ALA CB C 13 19.122 0.300 . 1 . . . . . . . . 6555 1 833 . 1 1 81 81 ALA C C 13 178.320 0.300 . 1 . . . . . . . . 6555 1 834 . 1 1 82 82 ALA N N 15 109.010 0.300 . 1 . . . . . . . . 6555 1 835 . 1 1 82 82 ALA H H 1 8.391 0.010 . 1 . . . . . . . . 6555 1 836 . 1 1 82 82 ALA CA C 13 45.360 0.300 . 1 . . . . . . . . 6555 1 837 . 1 1 82 82 ALA HA H 1 3.984 0.010 . 1 . . . . . . . . 6555 1 838 . 1 1 82 82 ALA C C 13 173.490 0.300 . 1 . . . . . . . . 6555 1 stop_ save_