################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27216 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27216 1 2 '3D HNCACB' . . . 27216 1 3 '3D CBCA(CO)NH' . . . 27216 1 4 '3D HN(CO)CA' . . . 27216 1 5 '3D HNCO' . . . 27216 1 6 '3D HN(CA)NNH' . . . 27216 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27216 1 2 $Ccpnmr_Analysis . . 27216 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 3 3 MET CA C 13 55.619 0.000 . 1 . . . . . 1 Met CA . 27216 1 2 . 1 1 3 3 MET CB C 13 32.604 0.000 . 1 . . . . . 1 Met CB . 27216 1 3 . 1 1 3 3 MET H H 1 8.720 0.009 . 1 . . . . . 1 Met H . 27216 1 4 . 1 1 3 3 MET N N 15 120.539 0.047 . 1 . . . . . 1 Met N . 27216 1 5 . 1 1 4 4 SER CA C 13 58.604 0.000 . 1 . . . . . 2 Ser CA . 27216 1 6 . 1 1 4 4 SER CB C 13 63.811 0.000 . 1 . . . . . 2 Ser CB . 27216 1 7 . 1 1 4 4 SER H H 1 8.368 0.009 . 1 . . . . . 2 Ser H . 27216 1 8 . 1 1 4 4 SER N N 15 117.038 0.051 . 1 . . . . . 2 Ser N . 27216 1 9 . 1 1 5 5 ASP CA C 13 54.486 0.023 . 1 . . . . . 3 Asp CA . 27216 1 10 . 1 1 5 5 ASP CB C 13 41.085 0.017 . 1 . . . . . 3 Asp CB . 27216 1 11 . 1 1 5 5 ASP H H 1 8.442 0.008 . 1 . . . . . 3 Asp H . 27216 1 12 . 1 1 5 5 ASP N N 15 122.872 0.062 . 1 . . . . . 3 Asp N . 27216 1 13 . 1 1 6 6 ALA CA C 13 52.627 0.001 . 1 . . . . . 4 Ala CA . 27216 1 14 . 1 1 6 6 ALA CB C 13 19.338 0.015 . 1 . . . . . 4 Ala CB . 27216 1 15 . 1 1 6 6 ALA H H 1 8.188 0.006 . 1 . . . . . 4 Ala H . 27216 1 16 . 1 1 6 6 ALA N N 15 124.164 0.048 . 1 . . . . . 4 Ala N . 27216 1 17 . 1 1 7 7 ALA CA C 13 52.517 0.028 . 1 . . . . . 5 Ala CA . 27216 1 18 . 1 1 7 7 ALA CB C 13 19.221 0.020 . 1 . . . . . 5 Ala CB . 27216 1 19 . 1 1 7 7 ALA H H 1 8.318 0.007 . 1 . . . . . 5 Ala H . 27216 1 20 . 1 1 7 7 ALA N N 15 123.538 0.047 . 1 . . . . . 5 Ala N . 27216 1 21 . 1 1 8 8 VAL CA C 13 62.270 0.028 . 1 . . . . . 6 Val CA . 27216 1 22 . 1 1 8 8 VAL CB C 13 33.025 0.021 . 1 . . . . . 6 Val CB . 27216 1 23 . 1 1 8 8 VAL H H 1 8.132 0.007 . 1 . . . . . 6 Val H . 27216 1 24 . 1 1 8 8 VAL N N 15 119.553 0.048 . 1 . . . . . 6 Val N . 27216 1 25 . 1 1 9 9 ASP CA C 13 54.106 0.026 . 1 . . . . . 7 Asp CA . 27216 1 26 . 1 1 9 9 ASP CB C 13 41.314 0.081 . 1 . . . . . 7 Asp CB . 27216 1 27 . 1 1 9 9 ASP H H 1 8.550 0.008 . 1 . . . . . 7 Asp H . 27216 1 28 . 1 1 9 9 ASP N N 15 124.566 0.054 . 1 . . . . . 7 Asp N . 27216 1 29 . 1 1 10 10 THR CA C 13 62.029 0.082 . 1 . . . . . 8 Thr CA . 27216 1 30 . 1 1 10 10 THR CB C 13 69.417 0.016 . 1 . . . . . 8 Thr CB . 27216 1 31 . 1 1 10 10 THR H H 1 8.374 0.008 . 1 . . . . . 8 Thr H . 27216 1 32 . 1 1 10 10 THR N N 15 115.803 0.048 . 1 . . . . . 8 Thr N . 27216 1 33 . 1 1 11 11 SER CA C 13 59.227 0.023 . 1 . . . . . 9 Ser CA . 27216 1 34 . 1 1 11 11 SER CB C 13 63.803 0.014 . 1 . . . . . 9 Ser CB . 27216 1 35 . 1 1 11 11 SER H H 1 8.517 0.007 . 1 . . . . . 9 Ser H . 27216 1 36 . 1 1 11 11 SER N N 15 118.625 0.048 . 1 . . . . . 9 Ser N . 27216 1 37 . 1 1 12 12 SER CA C 13 58.683 0.000 . 1 . . . . . 10 Ser CA . 27216 1 38 . 1 1 12 12 SER CB C 13 63.802 0.028 . 1 . . . . . 10 Ser CB . 27216 1 39 . 1 1 12 12 SER H H 1 8.383 0.008 . 1 . . . . . 10 Ser H . 27216 1 40 . 1 1 12 12 SER N N 15 117.889 0.067 . 1 . . . . . 10 Ser N . 27216 1 41 . 1 1 13 13 GLU CA C 13 56.726 0.047 . 1 . . . . . 11 Glu CA . 27216 1 42 . 1 1 13 13 GLU CB C 13 30.296 0.014 . 1 . . . . . 11 Glu CB . 27216 1 43 . 1 1 13 13 GLU H H 1 8.387 0.010 . 1 . . . . . 11 Glu H . 27216 1 44 . 1 1 13 13 GLU N N 15 122.841 0.052 . 1 . . . . . 11 Glu N . 27216 1 45 . 1 1 14 14 ILE CA C 13 61.381 0.036 . 1 . . . . . 12 Ile CA . 27216 1 46 . 1 1 14 14 ILE CB C 13 38.492 0.046 . 1 . . . . . 12 Ile CB . 27216 1 47 . 1 1 14 14 ILE H H 1 8.286 0.007 . 1 . . . . . 12 Ile H . 27216 1 48 . 1 1 14 14 ILE N N 15 122.364 0.049 . 1 . . . . . 12 Ile N . 27216 1 49 . 1 1 15 15 THR CA C 13 62.001 0.091 . 1 . . . . . 13 Thr CA . 27216 1 50 . 1 1 15 15 THR CB C 13 69.936 0.025 . 1 . . . . . 13 Thr CB . 27216 1 51 . 1 1 15 15 THR H H 1 8.382 0.008 . 1 . . . . . 13 Thr H . 27216 1 52 . 1 1 15 15 THR N N 15 118.646 0.042 . 1 . . . . . 13 Thr N . 27216 1 53 . 1 1 16 16 THR CA C 13 62.250 0.015 . 1 . . . . . 14 Thr CA . 27216 1 54 . 1 1 16 16 THR CB C 13 69.703 0.054 . 1 . . . . . 14 Thr CB . 27216 1 55 . 1 1 16 16 THR H H 1 8.234 0.008 . 1 . . . . . 14 Thr H . 27216 1 56 . 1 1 16 16 THR N N 15 116.813 0.048 . 1 . . . . . 14 Thr N . 27216 1 57 . 1 1 17 17 LYS CA C 13 56.792 0.008 . 1 . . . . . 15 Lys CA . 27216 1 58 . 1 1 17 17 LYS CB C 13 33.055 0.014 . 1 . . . . . 15 Lys CB . 27216 1 59 . 1 1 17 17 LYS H H 1 8.355 0.008 . 1 . . . . . 15 Lys H . 27216 1 60 . 1 1 17 17 LYS N N 15 123.782 0.058 . 1 . . . . . 15 Lys N . 27216 1 61 . 1 1 18 18 ASP CA C 13 54.598 0.026 . 1 . . . . . 16 Asp CA . 27216 1 62 . 1 1 18 18 ASP CB C 13 41.169 0.051 . 1 . . . . . 16 Asp CB . 27216 1 63 . 1 1 18 18 ASP H H 1 8.395 0.007 . 1 . . . . . 16 Asp H . 27216 1 64 . 1 1 18 18 ASP N N 15 121.444 0.052 . 1 . . . . . 16 Asp N . 27216 1 65 . 1 1 19 19 LEU CA C 13 55.487 0.025 . 1 . . . . . 17 Leu CA . 27216 1 66 . 1 1 19 19 LEU CB C 13 42.127 0.043 . 1 . . . . . 17 Leu CB . 27216 1 67 . 1 1 19 19 LEU H H 1 8.254 0.007 . 1 . . . . . 17 Leu H . 27216 1 68 . 1 1 19 19 LEU N N 15 123.158 0.048 . 1 . . . . . 17 Leu N . 27216 1 69 . 1 1 20 20 LYS CA C 13 56.565 0.000 . 1 . . . . . 18 Lys CA . 27216 1 70 . 1 1 20 20 LYS CB C 13 32.763 0.001 . 1 . . . . . 18 Lys CB . 27216 1 71 . 1 1 20 20 LYS H H 1 8.348 0.009 . 1 . . . . . 18 Lys H . 27216 1 72 . 1 1 20 20 LYS N N 15 121.753 0.059 . 1 . . . . . 18 Lys N . 27216 1 73 . 1 1 21 21 GLU CA C 13 56.588 0.092 . 1 . . . . . 19 Glu CA . 27216 1 74 . 1 1 21 21 GLU CB C 13 30.441 0.020 . 1 . . . . . 19 Glu CB . 27216 1 75 . 1 1 21 21 GLU H H 1 8.360 0.009 . 1 . . . . . 19 Glu H . 27216 1 76 . 1 1 21 21 GLU N N 15 121.785 0.061 . 1 . . . . . 19 Glu N . 27216 1 77 . 1 1 22 22 LYS CA C 13 56.295 0.053 . 1 . . . . . 20 Lys CA . 27216 1 78 . 1 1 22 22 LYS CB C 13 33.056 0.084 . 1 . . . . . 20 Lys CB . 27216 1 79 . 1 1 22 22 LYS H H 1 8.420 0.008 . 1 . . . . . 20 Lys H . 27216 1 80 . 1 1 22 22 LYS N N 15 123.438 0.051 . 1 . . . . . 20 Lys N . 27216 1 81 . 1 1 23 23 LYS H H 1 8.451 0.007 . 1 . . . . . 21 Lys H . 27216 1 82 . 1 1 23 23 LYS N N 15 123.958 0.050 . 1 . . . . . 21 Lys N . 27216 1 83 . 1 1 24 24 GLU CA C 13 56.533 0.000 . 1 . . . . . 22 Glu CA . 27216 1 84 . 1 1 24 24 GLU CB C 13 30.458 0.000 . 1 . . . . . 22 Glu CB . 27216 1 85 . 1 1 24 24 GLU N N 15 123.160 0.005 . 1 . . . . . 22 Glu N . 27216 1 86 . 1 1 25 25 VAL CA C 13 62.393 0.033 . 1 . . . . . 23 Val CA . 27216 1 87 . 1 1 25 25 VAL CB C 13 32.927 0.071 . 1 . . . . . 23 Val CB . 27216 1 88 . 1 1 25 25 VAL H H 1 8.370 0.008 . 1 . . . . . 23 Val H . 27216 1 89 . 1 1 25 25 VAL N N 15 122.858 0.053 . 1 . . . . . 23 Val N . 27216 1 90 . 1 1 26 26 VAL CA C 13 62.279 0.033 . 1 . . . . . 24 Val CA . 27216 1 91 . 1 1 26 26 VAL CB C 13 32.877 0.025 . 1 . . . . . 24 Val CB . 27216 1 92 . 1 1 26 26 VAL H H 1 8.409 0.006 . 1 . . . . . 24 Val H . 27216 1 93 . 1 1 26 26 VAL N N 15 125.760 0.038 . 1 . . . . . 24 Val N . 27216 1 94 . 1 1 27 27 GLU CA C 13 56.551 0.000 . 1 . . . . . 25 Glu CA . 27216 1 95 . 1 1 27 27 GLU CB C 13 30.543 0.013 . 1 . . . . . 25 Glu CB . 27216 1 96 . 1 1 27 27 GLU H H 1 8.637 0.008 . 1 . . . . . 25 Glu H . 27216 1 97 . 1 1 27 27 GLU N N 15 125.852 0.033 . 1 . . . . . 25 Glu N . 27216 1 98 . 1 1 28 28 GLU CA C 13 56.569 0.041 . 1 . . . . . 26 Glu CA . 27216 1 99 . 1 1 28 28 GLU CB C 13 30.519 0.008 . 1 . . . . . 26 Glu CB . 27216 1 100 . 1 1 28 28 GLU H H 1 8.579 0.008 . 1 . . . . . 26 Glu H . 27216 1 101 . 1 1 28 28 GLU N N 15 123.102 0.059 . 1 . . . . . 26 Glu N . 27216 1 102 . 1 1 29 29 ALA CA C 13 52.524 0.006 . 1 . . . . . 27 Ala CA . 27216 1 103 . 1 1 29 29 ALA CB C 13 19.628 0.077 . 1 . . . . . 27 Ala CB . 27216 1 104 . 1 1 29 29 ALA H H 1 8.482 0.006 . 1 . . . . . 27 Ala H . 27216 1 105 . 1 1 29 29 ALA N N 15 125.662 0.122 . 1 . . . . . 27 Ala N . 27216 1 106 . 1 1 30 30 GLU CA C 13 56.748 0.000 . 1 . . . . . 28 Glu CA . 27216 1 107 . 1 1 30 30 GLU CB C 13 30.200 0.000 . 1 . . . . . 28 Glu CB . 27216 1 108 . 1 1 30 30 GLU H H 1 8.538 0.007 . 1 . . . . . 28 Glu H . 27216 1 109 . 1 1 30 30 GLU N N 15 120.559 0.114 . 1 . . . . . 28 Glu N . 27216 1 110 . 1 1 31 31 ASN CB C 13 39.063 0.058 . 1 . . . . . 29 Asn CB . 27216 1 111 . 1 1 31 31 ASN H H 1 8.532 0.008 . 1 . . . . . 29 Asn H . 27216 1 112 . 1 1 31 31 ASN N N 15 119.710 0.043 . 1 . . . . . 29 Asn N . 27216 1 113 . 1 1 32 32 GLY CA C 13 45.621 0.000 . 1 . . . . . 30 Gly CA . 27216 1 114 . 1 1 32 32 GLY H H 1 8.518 0.009 . 1 . . . . . 30 Gly H . 27216 1 115 . 1 1 32 32 GLY N N 15 109.586 0.040 . 1 . . . . . 30 Gly N . 27216 1 116 . 1 1 33 33 ARG H H 1 8.195 0.008 . 1 . . . . . 31 Arg H . 27216 1 117 . 1 1 33 33 ARG N N 15 120.460 0.033 . 1 . . . . . 31 Arg N . 27216 1 118 . 1 1 34 34 ASP CA C 13 54.223 0.023 . 1 . . . . . 32 Asp CA . 27216 1 119 . 1 1 34 34 ASP CB C 13 41.153 0.000 . 1 . . . . . 32 Asp CB . 27216 1 120 . 1 1 34 34 ASP H H 1 8.475 0.008 . 1 . . . . . 32 Asp H . 27216 1 121 . 1 1 34 34 ASP N N 15 121.169 0.033 . 1 . . . . . 32 Asp N . 27216 1 122 . 1 1 35 35 ALA CA C 13 50.614 0.000 . 1 . . . . . 33 Ala CA . 27216 1 123 . 1 1 35 35 ALA CB C 13 18.234 0.000 . 1 . . . . . 33 Ala CB . 27216 1 124 . 1 1 35 35 ALA H H 1 8.218 0.003 . 1 . . . . . 33 Ala H . 27216 1 125 . 1 1 35 35 ALA N N 15 125.472 0.039 . 1 . . . . . 33 Ala N . 27216 1 126 . 1 1 36 36 PRO CA C 13 62.912 0.000 . 1 . . . . . 34 Pro CA . 27216 1 127 . 1 1 36 36 PRO CB C 13 32.218 0.000 . 1 . . . . . 34 Pro CB . 27216 1 128 . 1 1 37 37 ALA CA C 13 52.662 0.000 . 1 . . . . . 35 Ala CA . 27216 1 129 . 1 1 37 37 ALA CB C 13 19.206 0.000 . 1 . . . . . 35 Ala CB . 27216 1 130 . 1 1 37 37 ALA H H 1 8.597 0.008 . 1 . . . . . 35 Ala H . 27216 1 131 . 1 1 37 37 ALA N N 15 124.919 0.048 . 1 . . . . . 35 Ala N . 27216 1 132 . 1 1 38 38 ASN CB C 13 39.036 0.000 . 1 . . . . . 36 Asn CB . 27216 1 133 . 1 1 38 38 ASN H H 1 8.520 0.007 . 1 . . . . . 36 Asn H . 27216 1 134 . 1 1 38 38 ASN N N 15 117.884 0.051 . 1 . . . . . 36 Asn N . 27216 1 135 . 1 1 39 39 GLY CA C 13 45.500 0.000 . 1 . . . . . 37 Gly CA . 27216 1 136 . 1 1 39 39 GLY H H 1 8.427 0.008 . 1 . . . . . 37 Gly H . 27216 1 137 . 1 1 39 39 GLY N N 15 109.462 0.061 . 1 . . . . . 37 Gly N . 27216 1 138 . 1 1 40 40 ASN CA C 13 53.176 0.000 . 1 . . . . . 38 Asn CA . 27216 1 139 . 1 1 40 40 ASN CB C 13 39.154 0.000 . 1 . . . . . 38 Asn CB . 27216 1 140 . 1 1 40 40 ASN H H 1 8.411 0.009 . 1 . . . . . 38 Asn H . 27216 1 141 . 1 1 40 40 ASN N N 15 118.849 0.059 . 1 . . . . . 38 Asn N . 27216 1 142 . 1 1 41 41 ALA CA C 13 52.907 0.000 . 1 . . . . . 39 Ala CA . 27216 1 143 . 1 1 41 41 ALA CB C 13 19.174 0.030 . 1 . . . . . 39 Ala CB . 27216 1 144 . 1 1 41 41 ALA H H 1 8.452 0.008 . 1 . . . . . 39 Ala H . 27216 1 145 . 1 1 41 41 ALA N N 15 124.742 0.046 . 1 . . . . . 39 Ala N . 27216 1 146 . 1 1 42 42 ASN CA C 13 53.263 0.006 . 1 . . . . . 40 Asn CA . 27216 1 147 . 1 1 42 42 ASN CB C 13 38.971 0.000 . 1 . . . . . 40 Asn CB . 27216 1 148 . 1 1 42 42 ASN H H 1 8.505 0.009 . 1 . . . . . 40 Asn H . 27216 1 149 . 1 1 42 42 ASN N N 15 117.689 0.043 . 1 . . . . . 40 Asn N . 27216 1 150 . 1 1 43 43 GLU CA C 13 56.782 0.000 . 1 . . . . . 41 Glu CA . 27216 1 151 . 1 1 43 43 GLU CB C 13 30.427 0.000 . 1 . . . . . 41 Glu CB . 27216 1 152 . 1 1 43 43 GLU H H 1 8.487 0.008 . 1 . . . . . 41 Glu H . 27216 1 153 . 1 1 43 43 GLU N N 15 121.572 0.143 . 1 . . . . . 41 Glu N . 27216 1 154 . 1 1 44 44 GLU CA C 13 56.694 0.000 . 1 . . . . . 42 Glu CA . 27216 1 155 . 1 1 44 44 GLU CB C 13 30.237 0.000 . 1 . . . . . 42 Glu CB . 27216 1 156 . 1 1 44 44 GLU H H 1 8.518 0.007 . 1 . . . . . 42 Glu H . 27216 1 157 . 1 1 44 44 GLU N N 15 121.856 0.046 . 1 . . . . . 42 Glu N . 27216 1 158 . 1 1 45 45 ASN CA C 13 53.292 0.018 . 1 . . . . . 43 Asn CA . 27216 1 159 . 1 1 45 45 ASN CB C 13 39.163 0.007 . 1 . . . . . 43 Asn CB . 27216 1 160 . 1 1 45 45 ASN H H 1 8.571 0.007 . 1 . . . . . 43 Asn H . 27216 1 161 . 1 1 45 45 ASN N N 15 119.835 0.056 . 1 . . . . . 43 Asn N . 27216 1 162 . 1 1 46 46 GLY CA C 13 45.543 0.000 . 1 . . . . . 44 Gly CA . 27216 1 163 . 1 1 46 46 GLY H H 1 8.471 0.007 . 1 . . . . . 44 Gly H . 27216 1 164 . 1 1 46 46 GLY N N 15 109.561 0.049 . 1 . . . . . 44 Gly N . 27216 1 165 . 1 1 47 47 GLU CA C 13 56.513 0.019 . 1 . . . . . 45 Glu CA . 27216 1 166 . 1 1 47 47 GLU CB C 13 30.476 0.000 . 1 . . . . . 45 Glu CB . 27216 1 167 . 1 1 47 47 GLU H H 1 8.408 0.007 . 1 . . . . . 45 Glu H . 27216 1 168 . 1 1 47 47 GLU N N 15 120.631 0.026 . 1 . . . . . 45 Glu N . 27216 1 169 . 1 1 48 48 GLN CA C 13 55.715 0.000 . 1 . . . . . 46 Gln CA . 27216 1 170 . 1 1 48 48 GLN H H 1 8.552 0.009 . 1 . . . . . 46 Gln H . 27216 1 171 . 1 1 48 48 GLN N N 15 121.594 0.048 . 1 . . . . . 46 Gln N . 27216 1 172 . 1 1 49 49 GLU N N 15 123.154 0.000 . 1 . . . . . 47 Glu N . 27216 1 173 . 1 1 50 50 ALA CA C 13 52.569 0.000 . 1 . . . . . 48 Ala CA . 27216 1 174 . 1 1 50 50 ALA CB C 13 19.580 0.000 . 1 . . . . . 48 Ala CB . 27216 1 175 . 1 1 50 50 ALA H H 1 8.489 0.009 . 1 . . . . . 48 Ala H . 27216 1 176 . 1 1 50 50 ALA N N 15 125.836 0.110 . 1 . . . . . 48 Ala N . 27216 1 177 . 1 1 51 51 ASP CA C 13 54.357 0.000 . 1 . . . . . 49 Asp CA . 27216 1 178 . 1 1 51 51 ASP CB C 13 41.148 0.000 . 1 . . . . . 49 Asp CB . 27216 1 179 . 1 1 51 51 ASP H H 1 8.450 0.007 . 1 . . . . . 49 Asp H . 27216 1 180 . 1 1 51 51 ASP N N 15 120.148 0.053 . 1 . . . . . 49 Asp N . 27216 1 181 . 1 1 52 52 ASN CA C 13 53.252 0.000 . 1 . . . . . 50 Asn CA . 27216 1 182 . 1 1 52 52 ASN CB C 13 39.325 0.052 . 1 . . . . . 50 Asn CB . 27216 1 183 . 1 1 52 52 ASN H H 1 8.423 0.008 . 1 . . . . . 50 Asn H . 27216 1 184 . 1 1 52 52 ASN N N 15 119.335 0.048 . 1 . . . . . 50 Asn N . 27216 1 185 . 1 1 53 53 GLU CA C 13 56.608 0.000 . 1 . . . . . 51 Glu CA . 27216 1 186 . 1 1 53 53 GLU CB C 13 30.351 0.000 . 1 . . . . . 51 Glu CB . 27216 1 187 . 1 1 53 53 GLU H H 1 8.484 0.006 . 1 . . . . . 51 Glu H . 27216 1 188 . 1 1 53 53 GLU N N 15 121.764 0.046 . 1 . . . . . 51 Glu N . 27216 1 189 . 1 1 54 54 VAL CA C 13 62.096 0.000 . 1 . . . . . 52 Val CA . 27216 1 190 . 1 1 54 54 VAL CB C 13 33.280 0.000 . 1 . . . . . 52 Val CB . 27216 1 191 . 1 1 54 54 VAL H H 1 8.258 0.007 . 1 . . . . . 52 Val H . 27216 1 192 . 1 1 54 54 VAL N N 15 121.273 0.069 . 1 . . . . . 52 Val N . 27216 1 193 . 1 1 55 55 ASP CA C 13 54.297 0.000 . 1 . . . . . 53 Asp CA . 27216 1 194 . 1 1 55 55 ASP CB C 13 41.408 0.000 . 1 . . . . . 53 Asp CB . 27216 1 195 . 1 1 55 55 ASP H H 1 8.550 0.009 . 1 . . . . . 53 Asp H . 27216 1 196 . 1 1 55 55 ASP N N 15 125.094 0.076 . 1 . . . . . 53 Asp N . 27216 1 197 . 1 1 56 56 GLU H H 1 8.529 0.009 . 1 . . . . . 54 Glu H . 27216 1 198 . 1 1 56 56 GLU N N 15 122.332 0.072 . 1 . . . . . 54 Glu N . 27216 1 199 . 1 1 57 57 GLU H H 1 8.569 0.006 . 1 . . . . . 55 Glu H . 27216 1 200 . 1 1 57 57 GLU N N 15 122.205 0.107 . 1 . . . . . 55 Glu N . 27216 1 201 . 1 1 59 59 GLU CA C 13 56.344 0.000 . 1 . . . . . 57 Glu CA . 27216 1 202 . 1 1 59 59 GLU CB C 13 30.714 0.000 . 1 . . . . . 57 Glu CB . 27216 1 203 . 1 1 59 59 GLU H H 1 8.609 0.006 . 1 . . . . . 57 Glu H . 27216 1 204 . 1 1 59 59 GLU N N 15 123.178 0.053 . 1 . . . . . 57 Glu N . 27216 1 205 . 1 1 60 60 GLU CA C 13 56.628 0.081 . 1 . . . . . 58 Glu CA . 27216 1 206 . 1 1 60 60 GLU CB C 13 30.666 0.055 . 1 . . . . . 58 Glu CB . 27216 1 207 . 1 1 60 60 GLU H H 1 8.677 0.012 . 1 . . . . . 58 Glu H . 27216 1 208 . 1 1 60 60 GLU N N 15 123.297 0.057 . 1 . . . . . 58 Glu N . 27216 1 209 . 1 1 61 61 GLY CA C 13 45.426 0.015 . 1 . . . . . 59 Gly CA . 27216 1 210 . 1 1 61 61 GLY H H 1 8.655 0.007 . 1 . . . . . 59 Gly H . 27216 1 211 . 1 1 61 61 GLY N N 15 110.726 0.032 . 1 . . . . . 59 Gly N . 27216 1 212 . 1 1 62 62 GLY CA C 13 45.262 0.015 . 1 . . . . . 60 Gly CA . 27216 1 213 . 1 1 62 62 GLY H H 1 8.442 0.008 . 1 . . . . . 60 Gly H . 27216 1 214 . 1 1 62 62 GLY N N 15 109.085 0.046 . 1 . . . . . 60 Gly N . 27216 1 215 . 1 1 63 63 GLU CA C 13 56.617 0.000 . 1 . . . . . 61 Glu CA . 27216 1 216 . 1 1 63 63 GLU CB C 13 30.531 0.000 . 1 . . . . . 61 Glu CB . 27216 1 217 . 1 1 63 63 GLU H H 1 8.556 0.009 . 1 . . . . . 61 Glu H . 27216 1 218 . 1 1 63 63 GLU N N 15 120.573 0.034 . 1 . . . . . 61 Glu N . 27216 1 219 . 1 1 64 64 GLU N N 15 122.195 0.000 . 1 . . . . . 62 Glu N . 27216 1 220 . 1 1 69 69 GLU N N 15 123.370 0.000 . 1 . . . . . 67 Glu N . 27216 1 221 . 1 1 70 70 GLU CA C 13 56.858 0.000 . 1 . . . . . 68 Glu CA . 27216 1 222 . 1 1 70 70 GLU CB C 13 30.668 0.000 . 1 . . . . . 68 Glu CB . 27216 1 223 . 1 1 70 70 GLU H H 1 8.707 0.007 . 1 . . . . . 68 Glu H . 27216 1 224 . 1 1 70 70 GLU N N 15 123.394 0.057 . 1 . . . . . 68 Glu N . 27216 1 225 . 1 1 71 71 GLY CA C 13 45.227 0.051 . 1 . . . . . 69 Gly CA . 27216 1 226 . 1 1 71 71 GLY H H 1 8.581 0.008 . 1 . . . . . 69 Gly H . 27216 1 227 . 1 1 71 71 GLY N N 15 110.587 0.037 . 1 . . . . . 69 Gly N . 27216 1 228 . 1 1 72 72 ASP CA C 13 54.398 0.023 . 1 . . . . . 70 Asp CA . 27216 1 229 . 1 1 72 72 ASP CB C 13 41.463 0.055 . 1 . . . . . 70 Asp CB . 27216 1 230 . 1 1 72 72 ASP H H 1 8.454 0.006 . 1 . . . . . 70 Asp H . 27216 1 231 . 1 1 72 72 ASP N N 15 120.409 0.069 . 1 . . . . . 70 Asp N . 27216 1 232 . 1 1 73 73 GLY CA C 13 45.436 0.021 . 1 . . . . . 71 Gly CA . 27216 1 233 . 1 1 73 73 GLY H H 1 8.567 0.009 . 1 . . . . . 71 Gly H . 27216 1 234 . 1 1 73 73 GLY N N 15 109.579 0.043 . 1 . . . . . 71 Gly N . 27216 1 235 . 1 1 74 74 GLU CA C 13 56.413 0.000 . 1 . . . . . 72 Glu CA . 27216 1 236 . 1 1 74 74 GLU CB C 13 30.565 0.000 . 1 . . . . . 72 Glu CB . 27216 1 237 . 1 1 74 74 GLU H H 1 8.406 0.006 . 1 . . . . . 72 Glu H . 27216 1 238 . 1 1 74 74 GLU N N 15 120.490 0.022 . 1 . . . . . 72 Glu N . 27216 1 239 . 1 1 75 75 GLU H H 1 8.651 0.008 . 1 . . . . . 73 Glu H . 27216 1 240 . 1 1 75 75 GLU N N 15 122.219 0.057 . 1 . . . . . 73 Glu N . 27216 1 241 . 1 1 76 76 GLU H H 1 8.608 0.009 . 1 . . . . . 74 Glu H . 27216 1 242 . 1 1 76 76 GLU N N 15 122.635 0.056 . 1 . . . . . 74 Glu N . 27216 1 243 . 1 1 77 77 ASP CA C 13 54.604 0.026 . 1 . . . . . 75 Asp CA . 27216 1 244 . 1 1 77 77 ASP CB C 13 41.475 0.029 . 1 . . . . . 75 Asp CB . 27216 1 245 . 1 1 77 77 ASP H H 1 8.589 0.006 . 1 . . . . . 75 Asp H . 27216 1 246 . 1 1 77 77 ASP N N 15 122.373 0.064 . 1 . . . . . 75 Asp N . 27216 1 247 . 1 1 78 78 GLY CA C 13 45.377 0.000 . 1 . . . . . 76 Gly CA . 27216 1 248 . 1 1 78 78 GLY H H 1 8.479 0.008 . 1 . . . . . 76 Gly H . 27216 1 249 . 1 1 78 78 GLY N N 15 109.660 0.045 . 1 . . . . . 76 Gly N . 27216 1 250 . 1 1 79 79 ASP CA C 13 54.280 0.013 . 1 . . . . . 77 Asp CA . 27216 1 251 . 1 1 79 79 ASP CB C 13 41.531 0.000 . 1 . . . . . 77 Asp CB . 27216 1 252 . 1 1 79 79 ASP H H 1 8.412 0.007 . 1 . . . . . 77 Asp H . 27216 1 253 . 1 1 79 79 ASP N N 15 120.716 0.048 . 1 . . . . . 77 Asp N . 27216 1 254 . 1 1 80 80 GLU H H 1 8.589 0.009 . 1 . . . . . 78 Glu H . 27216 1 255 . 1 1 80 80 GLU N N 15 121.440 0.060 . 1 . . . . . 78 Glu N . 27216 1 256 . 1 1 83 83 GLU CA C 13 56.707 0.000 . 1 . . . . . 81 Glu CA . 27216 1 257 . 1 1 83 83 GLU CB C 13 30.232 0.000 . 1 . . . . . 81 Glu CB . 27216 1 258 . 1 1 83 83 GLU H H 1 8.548 0.007 . 1 . . . . . 81 Glu H . 27216 1 259 . 1 1 83 83 GLU N N 15 122.016 0.045 . 1 . . . . . 81 Glu N . 27216 1 260 . 1 1 84 84 ALA CA C 13 52.923 0.037 . 1 . . . . . 82 Ala CA . 27216 1 261 . 1 1 84 84 ALA CB C 13 19.427 0.057 . 1 . . . . . 82 Ala CB . 27216 1 262 . 1 1 84 84 ALA H H 1 8.321 0.006 . 1 . . . . . 82 Ala H . 27216 1 263 . 1 1 84 84 ALA N N 15 125.311 0.040 . 1 . . . . . 82 Ala N . 27216 1 264 . 1 1 85 85 GLU CA C 13 56.923 0.000 . 1 . . . . . 83 Glu CA . 27216 1 265 . 1 1 85 85 GLU CB C 13 30.222 0.000 . 1 . . . . . 83 Glu CB . 27216 1 266 . 1 1 85 85 GLU H H 1 8.514 0.007 . 1 . . . . . 83 Glu H . 27216 1 267 . 1 1 85 85 GLU N N 15 120.230 0.050 . 1 . . . . . 83 Glu N . 27216 1 268 . 1 1 86 86 SER CA C 13 58.597 0.037 . 1 . . . . . 84 Ser CA . 27216 1 269 . 1 1 86 86 SER CB C 13 63.853 0.066 . 1 . . . . . 84 Ser CB . 27216 1 270 . 1 1 86 86 SER H H 1 8.374 0.006 . 1 . . . . . 84 Ser H . 27216 1 271 . 1 1 86 86 SER N N 15 116.686 0.056 . 1 . . . . . 84 Ser N . 27216 1 272 . 1 1 87 87 ALA CA C 13 53.144 0.000 . 1 . . . . . 85 Ala CA . 27216 1 273 . 1 1 87 87 ALA CB C 13 19.253 0.000 . 1 . . . . . 85 Ala CB . 27216 1 274 . 1 1 87 87 ALA H H 1 8.498 0.009 . 1 . . . . . 85 Ala H . 27216 1 275 . 1 1 87 87 ALA N N 15 126.321 0.048 . 1 . . . . . 85 Ala N . 27216 1 276 . 1 1 88 88 THR CA C 13 62.379 0.064 . 1 . . . . . 86 Thr CA . 27216 1 277 . 1 1 88 88 THR CB C 13 69.741 0.044 . 1 . . . . . 86 Thr CB . 27216 1 278 . 1 1 88 88 THR H H 1 8.161 0.007 . 1 . . . . . 86 Thr H . 27216 1 279 . 1 1 88 88 THR N N 15 112.124 0.057 . 1 . . . . . 86 Thr N . 27216 1 280 . 1 1 89 89 GLY CA C 13 45.397 0.013 . 1 . . . . . 87 Gly CA . 27216 1 281 . 1 1 89 89 GLY H H 1 8.373 0.008 . 1 . . . . . 87 Gly H . 27216 1 282 . 1 1 89 89 GLY N N 15 111.240 0.044 . 1 . . . . . 87 Gly N . 27216 1 283 . 1 1 90 90 LYS CA C 13 56.395 0.000 . 1 . . . . . 88 Lys CA . 27216 1 284 . 1 1 90 90 LYS CB C 13 33.226 0.038 . 1 . . . . . 88 Lys CB . 27216 1 285 . 1 1 90 90 LYS H H 1 8.188 0.008 . 1 . . . . . 88 Lys H . 27216 1 286 . 1 1 90 90 LYS N N 15 121.263 0.046 . 1 . . . . . 88 Lys N . 27216 1 287 . 1 1 91 91 ARG CA C 13 56.031 0.000 . 1 . . . . . 89 Arg CA . 27216 1 288 . 1 1 91 91 ARG CB C 13 30.999 0.000 . 1 . . . . . 89 Arg CB . 27216 1 289 . 1 1 91 91 ARG H H 1 8.521 0.008 . 1 . . . . . 89 Arg H . 27216 1 290 . 1 1 91 91 ARG N N 15 123.442 0.083 . 1 . . . . . 89 Arg N . 27216 1 291 . 1 1 92 92 ALA CA C 13 52.523 0.036 . 1 . . . . . 90 Ala CA . 27216 1 292 . 1 1 92 92 ALA CB C 13 19.259 0.053 . 1 . . . . . 90 Ala CB . 27216 1 293 . 1 1 92 92 ALA H H 1 8.551 0.007 . 1 . . . . . 90 Ala H . 27216 1 294 . 1 1 92 92 ALA N N 15 126.382 0.050 . 1 . . . . . 90 Ala N . 27216 1 295 . 1 1 93 93 ALA CA C 13 52.796 0.019 . 1 . . . . . 91 Ala CA . 27216 1 296 . 1 1 93 93 ALA CB C 13 19.328 0.000 . 1 . . . . . 91 Ala CB . 27216 1 297 . 1 1 93 93 ALA H H 1 8.444 0.008 . 1 . . . . . 91 Ala H . 27216 1 298 . 1 1 93 93 ALA N N 15 123.719 0.044 . 1 . . . . . 91 Ala N . 27216 1 299 . 1 1 94 94 GLU CA C 13 56.831 0.003 . 1 . . . . . 92 Glu CA . 27216 1 300 . 1 1 94 94 GLU CB C 13 30.148 0.050 . 1 . . . . . 92 Glu CB . 27216 1 301 . 1 1 94 94 GLU H H 1 8.519 0.008 . 1 . . . . . 92 Glu H . 27216 1 302 . 1 1 94 94 GLU N N 15 119.443 0.048 . 1 . . . . . 92 Glu N . 27216 1 303 . 1 1 95 95 ASP CA C 13 54.557 0.006 . 1 . . . . . 93 Asp CA . 27216 1 304 . 1 1 95 95 ASP CB C 13 41.279 0.000 . 1 . . . . . 93 Asp CB . 27216 1 305 . 1 1 95 95 ASP H H 1 8.308 0.008 . 1 . . . . . 93 Asp H . 27216 1 306 . 1 1 95 95 ASP N N 15 120.596 0.056 . 1 . . . . . 93 Asp N . 27216 1 307 . 1 1 96 96 ASP CB C 13 41.387 0.000 . 1 . . . . . 94 Asp CB . 27216 1 308 . 1 1 96 96 ASP H H 1 8.280 0.007 . 1 . . . . . 94 Asp H . 27216 1 309 . 1 1 96 96 ASP N N 15 120.732 0.052 . 1 . . . . . 94 Asp N . 27216 1 310 . 1 1 97 97 GLU CB C 13 33.230 0.000 . 1 . . . . . 95 Glu CB . 27216 1 311 . 1 1 97 97 GLU H H 1 8.401 0.008 . 1 . . . . . 95 Glu H . 27216 1 312 . 1 1 97 97 GLU N N 15 121.231 0.033 . 1 . . . . . 95 Glu N . 27216 1 313 . 1 1 98 98 ASP CA C 13 54.501 0.000 . 1 . . . . . 96 Asp CA . 27216 1 314 . 1 1 98 98 ASP CB C 13 41.420 0.007 . 1 . . . . . 96 Asp CB . 27216 1 315 . 1 1 98 98 ASP N N 15 121.783 0.004 . 1 . . . . . 96 Asp N . 27216 1 316 . 1 1 99 99 ASP CA C 13 54.487 0.071 . 1 . . . . . 97 Asp CA . 27216 1 317 . 1 1 99 99 ASP CB C 13 41.423 0.000 . 1 . . . . . 97 Asp CB . 27216 1 318 . 1 1 99 99 ASP H H 1 8.389 0.010 . 1 . . . . . 97 Asp H . 27216 1 319 . 1 1 99 99 ASP N N 15 121.384 0.070 . 1 . . . . . 97 Asp N . 27216 1 320 . 1 1 100 100 ASP CA C 13 54.245 0.000 . 1 . . . . . 98 Asp CA . 27216 1 321 . 1 1 100 100 ASP CB C 13 41.200 0.000 . 1 . . . . . 98 Asp CB . 27216 1 322 . 1 1 100 100 ASP H H 1 8.420 0.008 . 1 . . . . . 98 Asp H . 27216 1 323 . 1 1 100 100 ASP N N 15 120.972 0.042 . 1 . . . . . 98 Asp N . 27216 1 324 . 1 1 101 101 VAL CA C 13 63.015 0.026 . 1 . . . . . 99 Val CA . 27216 1 325 . 1 1 101 101 VAL CB C 13 32.586 0.000 . 1 . . . . . 99 Val CB . 27216 1 326 . 1 1 101 101 VAL H H 1 8.077 0.008 . 1 . . . . . 99 Val H . 27216 1 327 . 1 1 101 101 VAL N N 15 120.143 0.040 . 1 . . . . . 99 Val N . 27216 1 328 . 1 1 102 102 ASP CA C 13 54.913 0.005 . 1 . . . . . 100 Asp CA . 27216 1 329 . 1 1 102 102 ASP CB C 13 41.159 0.029 . 1 . . . . . 100 Asp CB . 27216 1 330 . 1 1 102 102 ASP H H 1 8.510 0.009 . 1 . . . . . 100 Asp H . 27216 1 331 . 1 1 102 102 ASP N N 15 122.947 0.095 . 1 . . . . . 100 Asp N . 27216 1 332 . 1 1 103 103 THR CA C 13 62.708 0.005 . 1 . . . . . 101 Thr CA . 27216 1 333 . 1 1 103 103 THR CB C 13 69.429 0.034 . 1 . . . . . 101 Thr CB . 27216 1 334 . 1 1 103 103 THR H H 1 8.111 0.009 . 1 . . . . . 101 Thr H . 27216 1 335 . 1 1 103 103 THR N N 15 115.103 0.053 . 1 . . . . . 101 Thr N . 27216 1 336 . 1 1 104 104 LYS CA C 13 56.797 0.017 . 1 . . . . . 102 Lys CA . 27216 1 337 . 1 1 104 104 LYS CB C 13 32.594 0.040 . 1 . . . . . 102 Lys CB . 27216 1 338 . 1 1 104 104 LYS H H 1 8.289 0.009 . 1 . . . . . 102 Lys H . 27216 1 339 . 1 1 104 104 LYS N N 15 123.259 0.046 . 1 . . . . . 102 Lys N . 27216 1 340 . 1 1 105 105 LYS CA C 13 56.624 0.000 . 1 . . . . . 103 Lys CA . 27216 1 341 . 1 1 105 105 LYS CB C 13 32.924 0.024 . 1 . . . . . 103 Lys CB . 27216 1 342 . 1 1 105 105 LYS H H 1 8.217 0.008 . 1 . . . . . 103 Lys H . 27216 1 343 . 1 1 105 105 LYS N N 15 122.280 0.053 . 1 . . . . . 103 Lys N . 27216 1 344 . 1 1 106 106 GLN CA C 13 55.913 0.067 . 1 . . . . . 104 Gln CA . 27216 1 345 . 1 1 106 106 GLN CB C 13 29.546 0.048 . 1 . . . . . 104 Gln CB . 27216 1 346 . 1 1 106 106 GLN H H 1 8.451 0.008 . 1 . . . . . 104 Gln H . 27216 1 347 . 1 1 106 106 GLN N N 15 122.054 0.040 . 1 . . . . . 104 Gln N . 27216 1 348 . 1 1 107 107 LYS CA C 13 56.552 0.000 . 1 . . . . . 105 Lys CA . 27216 1 349 . 1 1 107 107 LYS CB C 13 33.198 0.000 . 1 . . . . . 105 Lys CB . 27216 1 350 . 1 1 107 107 LYS H H 1 8.530 0.009 . 1 . . . . . 105 Lys H . 27216 1 351 . 1 1 107 107 LYS N N 15 123.748 0.072 . 1 . . . . . 105 Lys N . 27216 1 352 . 1 1 108 108 THR CA C 13 61.615 0.034 . 1 . . . . . 106 Thr CA . 27216 1 353 . 1 1 108 108 THR CB C 13 70.162 0.024 . 1 . . . . . 106 Thr CB . 27216 1 354 . 1 1 108 108 THR H H 1 8.499 0.009 . 1 . . . . . 106 Thr H . 27216 1 355 . 1 1 108 108 THR N N 15 115.764 0.045 . 1 . . . . . 106 Thr N . 27216 1 356 . 1 1 109 109 ASP CA C 13 54.749 0.000 . 1 . . . . . 107 Asp CA . 27216 1 357 . 1 1 109 109 ASP CB C 13 41.184 0.000 . 1 . . . . . 107 Asp CB . 27216 1 358 . 1 1 109 109 ASP H H 1 8.493 0.009 . 1 . . . . . 107 Asp H . 27216 1 359 . 1 1 109 109 ASP N N 15 122.146 0.048 . 1 . . . . . 107 Asp N . 27216 1 360 . 1 1 110 110 GLU CA C 13 56.718 0.014 . 1 . . . . . 108 Glu CA . 27216 1 361 . 1 1 110 110 GLU CB C 13 30.533 0.004 . 1 . . . . . 108 Glu CB . 27216 1 362 . 1 1 110 110 GLU H H 1 8.347 0.008 . 1 . . . . . 108 Glu H . 27216 1 363 . 1 1 110 110 GLU N N 15 120.207 0.053 . 1 . . . . . 108 Glu N . 27216 1 364 . 1 1 111 111 ASP CA C 13 54.585 0.008 . 1 . . . . . 109 Asp CA . 27216 1 365 . 1 1 111 111 ASP CB C 13 41.494 0.008 . 1 . . . . . 109 Asp CB . 27216 1 366 . 1 1 111 111 ASP H H 1 8.333 0.009 . 1 . . . . . 109 Asp H . 27216 1 367 . 1 1 111 111 ASP N N 15 121.468 0.048 . 1 . . . . . 109 Asp N . 27216 1 368 . 1 1 112 112 ASP CA C 13 56.168 0.000 . 1 . . . . . 110 Asp CA . 27216 1 369 . 1 1 112 112 ASP CB C 13 42.131 0.000 . 1 . . . . . 110 Asp CB . 27216 1 370 . 1 1 112 112 ASP H H 1 7.991 0.007 . 1 . . . . . 110 Asp H . 27216 1 371 . 1 1 112 112 ASP N N 15 126.035 0.040 . 1 . . . . . 110 Asp N . 27216 1 stop_ save_