################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 30653 1 2 '3D HNCACB' . . . 30653 1 3 '3D HNCO' . . . 30653 1 4 '3D HN(CA)CO' . . . 30653 1 5 '2D 1H-1H TOCSY' . . . 30653 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.334 0.003 . 1 . . . . A 3 GLY H . 30653 1 2 . 1 . 1 3 3 GLY C C 13 174.089 0.000 . 1 . . . . A 3 GLY C . 30653 1 3 . 1 . 1 3 3 GLY CA C 13 45.277 0.026 . 1 . . . . A 3 GLY CA . 30653 1 4 . 1 . 1 3 3 GLY N N 15 108.101 0.000 . 1 . . . . A 3 GLY N . 30653 1 5 . 1 . 1 4 4 LEU H H 1 8.008 0.003 . 1 . . . . A 4 LEU H . 30653 1 6 . 1 . 1 4 4 LEU N N 15 121.489 0.000 . 1 . . . . A 4 LEU N . 30653 1 7 . 1 . 1 5 5 THR H H 1 8.180 0.003 . 1 . . . . A 5 THR H . 30653 1 8 . 1 . 1 5 5 THR C C 13 174.317 0.010 . 1 . . . . A 5 THR C . 30653 1 9 . 1 . 1 5 5 THR CA C 13 61.860 0.076 . 1 . . . . A 5 THR CA . 30653 1 10 . 1 . 1 5 5 THR CB C 13 69.608 0.093 . 1 . . . . A 5 THR CB . 30653 1 11 . 1 . 1 5 5 THR N N 15 115.741 0.000 . 1 . . . . A 5 THR N . 30653 1 12 . 1 . 1 6 6 VAL H H 1 8.131 0.002 . 1 . . . . A 6 VAL H . 30653 1 13 . 1 . 1 6 6 VAL C C 13 175.660 0.040 . 1 . . . . A 6 VAL C . 30653 1 14 . 1 . 1 6 6 VAL CA C 13 61.994 0.058 . 1 . . . . A 6 VAL CA . 30653 1 15 . 1 . 1 6 6 VAL CB C 13 32.887 0.016 . 1 . . . . A 6 VAL CB . 30653 1 16 . 1 . 1 6 6 VAL N N 15 123.067 0.000 . 1 . . . . A 6 VAL N . 30653 1 17 . 1 . 1 7 7 ARG H H 1 8.376 0.003 . 1 . . . . A 7 ARG H . 30653 1 18 . 1 . 1 7 7 ARG C C 13 175.485 0.096 . 1 . . . . A 7 ARG C . 30653 1 19 . 1 . 1 7 7 ARG CA C 13 55.754 0.019 . 1 . . . . A 7 ARG CA . 30653 1 20 . 1 . 1 7 7 ARG CB C 13 31.052 0.019 . 1 . . . . A 7 ARG CB . 30653 1 21 . 1 . 1 7 7 ARG N N 15 125.229 0.000 . 1 . . . . A 7 ARG N . 30653 1 22 . 1 . 1 8 8 ASP H H 1 8.348 0.003 . 1 . . . . A 8 ASP H . 30653 1 23 . 1 . 1 8 8 ASP N N 15 123.403 0.000 . 1 . . . . A 8 ASP N . 30653 1 24 . 1 . 1 10 10 ALA H H 1 8.368 0.005 . 1 . . . . A 10 ALA H . 30653 1 25 . 1 . 1 10 10 ALA C C 13 179.146 0.009 . 1 . . . . A 10 ALA C . 30653 1 26 . 1 . 1 10 10 ALA CA C 13 53.443 0.028 . 1 . . . . A 10 ALA CA . 30653 1 27 . 1 . 1 10 10 ALA N N 15 121.977 0.000 . 1 . . . . A 10 ALA N . 30653 1 28 . 1 . 1 11 11 VAL H H 1 7.719 0.005 . 1 . . . . A 11 VAL H . 30653 1 29 . 1 . 1 11 11 VAL CB C 13 32.510 0.092 . 1 . . . . A 11 VAL CB . 30653 1 30 . 1 . 1 11 11 VAL N N 15 118.922 0.000 . 1 . . . . A 11 VAL N . 30653 1 31 . 1 . 1 12 12 ASP H H 1 8.204 0.011 . 1 . . . . A 12 ASP H . 30653 1 32 . 1 . 1 12 12 ASP N N 15 122.929 0.000 . 1 . . . . A 12 ASP N . 30653 1 33 . 1 . 1 14 14 SER H H 1 8.442 0.003 . 1 . . . . A 14 SER H . 30653 1 34 . 1 . 1 14 14 SER C C 13 175.484 0.013 . 1 . . . . A 14 SER C . 30653 1 35 . 1 . 1 14 14 SER N N 15 117.171 0.000 . 1 . . . . A 14 SER N . 30653 1 36 . 1 . 1 15 15 LEU H H 1 7.462 0.005 . 1 . . . . A 15 LEU H . 30653 1 37 . 1 . 1 15 15 LEU C C 13 177.163 0.002 . 1 . . . . A 15 LEU C . 30653 1 38 . 1 . 1 15 15 LEU CB C 13 42.172 0.010 . 1 . . . . A 15 LEU CB . 30653 1 39 . 1 . 1 15 15 LEU N N 15 120.176 0.000 . 1 . . . . A 15 LEU N . 30653 1 40 . 1 . 1 16 16 ARG H H 1 7.178 0.005 . 1 . . . . A 16 ARG H . 30653 1 41 . 1 . 1 16 16 ARG C C 13 173.586 0.009 . 1 . . . . A 16 ARG C . 30653 1 42 . 1 . 1 16 16 ARG CA C 13 55.010 0.026 . 1 . . . . A 16 ARG CA . 30653 1 43 . 1 . 1 16 16 ARG CB C 13 30.404 0.089 . 1 . . . . A 16 ARG CB . 30653 1 44 . 1 . 1 16 16 ARG N N 15 113.512 0.000 . 1 . . . . A 16 ARG N . 30653 1 45 . 1 . 1 17 17 SER H H 1 7.162 0.007 . 1 . . . . A 17 SER H . 30653 1 46 . 1 . 1 17 17 SER C C 13 172.366 0.012 . 1 . . . . A 17 SER C . 30653 1 47 . 1 . 1 17 17 SER CA C 13 56.973 0.056 . 1 . . . . A 17 SER CA . 30653 1 48 . 1 . 1 17 17 SER N N 15 113.369 0.000 . 1 . . . . A 17 SER N . 30653 1 49 . 1 . 1 18 18 VAL H H 1 9.061 0.004 . 1 . . . . A 18 VAL H . 30653 1 50 . 1 . 1 18 18 VAL C C 13 175.303 0.013 . 1 . . . . A 18 VAL C . 30653 1 51 . 1 . 1 18 18 VAL CA C 13 58.985 0.057 . 1 . . . . A 18 VAL CA . 30653 1 52 . 1 . 1 18 18 VAL CB C 13 33.885 0.037 . 1 . . . . A 18 VAL CB . 30653 1 53 . 1 . 1 18 18 VAL N N 15 111.295 0.000 . 1 . . . . A 18 VAL N . 30653 1 54 . 1 . 1 19 19 PHE H H 1 8.765 0.003 . 1 . . . . A 19 PHE H . 30653 1 55 . 1 . 1 19 19 PHE C C 13 173.316 0.010 . 1 . . . . A 19 PHE C . 30653 1 56 . 1 . 1 19 19 PHE CA C 13 56.952 0.033 . 1 . . . . A 19 PHE CA . 30653 1 57 . 1 . 1 19 19 PHE CB C 13 41.405 0.010 . 1 . . . . A 19 PHE CB . 30653 1 58 . 1 . 1 19 19 PHE N N 15 124.615 0.032 . 1 . . . . A 19 PHE N . 30653 1 59 . 1 . 1 20 20 VAL H H 1 7.871 0.004 . 1 . . . . A 20 VAL H . 30653 1 60 . 1 . 1 20 20 VAL C C 13 173.647 0.019 . 1 . . . . A 20 VAL C . 30653 1 61 . 1 . 1 20 20 VAL CA C 13 59.913 0.045 . 1 . . . . A 20 VAL CA . 30653 1 62 . 1 . 1 20 20 VAL CB C 13 33.704 0.030 . 1 . . . . A 20 VAL CB . 30653 1 63 . 1 . 1 20 20 VAL N N 15 127.776 0.000 . 1 . . . . A 20 VAL N . 30653 1 64 . 1 . 1 21 21 GLY H H 1 9.441 0.003 . 1 . . . . A 21 GLY H . 30653 1 65 . 1 . 1 21 21 GLY CA C 13 42.999 0.009 . 1 . . . . A 21 GLY CA . 30653 1 66 . 1 . 1 21 21 GLY N N 15 111.820 0.000 . 1 . . . . A 21 GLY N . 30653 1 67 . 1 . 1 22 22 ASN H H 1 8.559 0.007 . 1 . . . . A 22 ASN H . 30653 1 68 . 1 . 1 22 22 ASN CA C 13 53.271 0.007 . 1 . . . . A 22 ASN CA . 30653 1 69 . 1 . 1 22 22 ASN CB C 13 38.472 0.057 . 1 . . . . A 22 ASN CB . 30653 1 70 . 1 . 1 22 22 ASN N N 15 116.049 0.000 . 1 . . . . A 22 ASN N . 30653 1 71 . 1 . 1 23 23 ILE H H 1 7.659 0.005 . 1 . . . . A 23 ILE H . 30653 1 72 . 1 . 1 23 23 ILE N N 15 115.315 0.000 . 1 . . . . A 23 ILE N . 30653 1 73 . 1 . 1 25 25 TYR H H 1 8.346 0.005 . 1 . . . . A 25 TYR H . 30653 1 74 . 1 . 1 25 25 TYR CA C 13 59.946 0.019 . 1 . . . . A 25 TYR CA . 30653 1 75 . 1 . 1 25 25 TYR CB C 13 37.983 0.011 . 1 . . . . A 25 TYR CB . 30653 1 76 . 1 . 1 25 25 TYR N N 15 122.820 0.000 . 1 . . . . A 25 TYR N . 30653 1 77 . 1 . 1 26 26 GLU H H 1 9.144 0.004 . 1 . . . . A 26 GLU H . 30653 1 78 . 1 . 1 26 26 GLU C C 13 176.519 0.021 . 1 . . . . A 26 GLU C . 30653 1 79 . 1 . 1 26 26 GLU CA C 13 57.136 0.030 . 1 . . . . A 26 GLU CA . 30653 1 80 . 1 . 1 26 26 GLU CB C 13 28.760 0.042 . 1 . . . . A 26 GLU CB . 30653 1 81 . 1 . 1 26 26 GLU N N 15 116.245 0.000 . 1 . . . . A 26 GLU N . 30653 1 82 . 1 . 1 27 27 ALA H H 1 7.428 0.006 . 1 . . . . A 27 ALA H . 30653 1 83 . 1 . 1 27 27 ALA C C 13 177.001 0.012 . 1 . . . . A 27 ALA C . 30653 1 84 . 1 . 1 27 27 ALA CA C 13 52.575 0.030 . 1 . . . . A 27 ALA CA . 30653 1 85 . 1 . 1 27 27 ALA N N 15 122.675 0.000 . 1 . . . . A 27 ALA N . 30653 1 86 . 1 . 1 28 28 THR H H 1 7.916 0.003 . 1 . . . . A 28 THR H . 30653 1 87 . 1 . 1 28 28 THR C C 13 175.261 0.003 . 1 . . . . A 28 THR C . 30653 1 88 . 1 . 1 28 28 THR CA C 13 58.718 0.064 . 1 . . . . A 28 THR CA . 30653 1 89 . 1 . 1 28 28 THR N N 15 109.764 0.000 . 1 . . . . A 28 THR N . 30653 1 90 . 1 . 1 29 29 GLU H H 1 9.192 0.006 . 1 . . . . A 29 GLU H . 30653 1 91 . 1 . 1 29 29 GLU C C 13 178.166 0.002 . 1 . . . . A 29 GLU C . 30653 1 92 . 1 . 1 29 29 GLU CA C 13 60.439 0.037 . 1 . . . . A 29 GLU CA . 30653 1 93 . 1 . 1 29 29 GLU N N 15 120.788 0.000 . 1 . . . . A 29 GLU N . 30653 1 94 . 1 . 1 30 30 GLU H H 1 8.508 0.002 . 1 . . . . A 30 GLU H . 30653 1 95 . 1 . 1 30 30 GLU C C 13 178.677 0.012 . 1 . . . . A 30 GLU C . 30653 1 96 . 1 . 1 30 30 GLU CA C 13 60.185 0.019 . 1 . . . . A 30 GLU CA . 30653 1 97 . 1 . 1 30 30 GLU N N 15 117.524 0.000 . 1 . . . . A 30 GLU N . 30653 1 98 . 1 . 1 31 31 GLN H H 1 7.541 0.002 . 1 . . . . A 31 GLN H . 30653 1 99 . 1 . 1 31 31 GLN CA C 13 58.253 0.020 . 1 . . . . A 31 GLN CA . 30653 1 100 . 1 . 1 31 31 GLN N N 15 117.998 0.000 . 1 . . . . A 31 GLN N . 30653 1 101 . 1 . 1 32 32 LEU H H 1 7.483 0.005 . 1 . . . . A 32 LEU H . 30653 1 102 . 1 . 1 32 32 LEU C C 13 178.464 0.001 . 1 . . . . A 32 LEU C . 30653 1 103 . 1 . 1 32 32 LEU CA C 13 56.934 0.027 . 1 . . . . A 32 LEU CA . 30653 1 104 . 1 . 1 32 32 LEU CB C 13 39.335 0.003 . 1 . . . . A 32 LEU CB . 30653 1 105 . 1 . 1 32 32 LEU N N 15 119.545 0.000 . 1 . . . . A 32 LEU N . 30653 1 106 . 1 . 1 33 33 LYS H H 1 8.534 0.004 . 1 . . . . A 33 LYS H . 30653 1 107 . 1 . 1 33 33 LYS CA C 13 61.054 0.001 . 1 . . . . A 33 LYS CA . 30653 1 108 . 1 . 1 33 33 LYS CB C 13 31.912 0.060 . 1 . . . . A 33 LYS CB . 30653 1 109 . 1 . 1 33 33 LYS N N 15 121.003 0.030 . 1 . . . . A 33 LYS N . 30653 1 110 . 1 . 1 34 34 ASP H H 1 7.479 0.002 . 1 . . . . A 34 ASP H . 30653 1 111 . 1 . 1 34 34 ASP C C 13 178.866 0.008 . 1 . . . . A 34 ASP C . 30653 1 112 . 1 . 1 34 34 ASP CA C 13 57.676 0.034 . 1 . . . . A 34 ASP CA . 30653 1 113 . 1 . 1 34 34 ASP CB C 13 40.300 0.058 . 1 . . . . A 34 ASP CB . 30653 1 114 . 1 . 1 34 34 ASP N N 15 118.787 0.000 . 1 . . . . A 34 ASP N . 30653 1 115 . 1 . 1 35 35 ILE H H 1 7.320 0.002 . 1 . . . . A 35 ILE H . 30653 1 116 . 1 . 1 35 35 ILE C C 13 178.114 0.006 . 1 . . . . A 35 ILE C . 30653 1 117 . 1 . 1 35 35 ILE CA C 13 64.196 0.085 . 1 . . . . A 35 ILE CA . 30653 1 118 . 1 . 1 35 35 ILE CB C 13 38.424 0.030 . 1 . . . . A 35 ILE CB . 30653 1 119 . 1 . 1 35 35 ILE N N 15 119.679 0.000 . 1 . . . . A 35 ILE N . 30653 1 120 . 1 . 1 36 36 PHE H H 1 8.560 0.003 . 1 . . . . A 36 PHE H . 30653 1 121 . 1 . 1 36 36 PHE CA C 13 61.769 0.068 . 1 . . . . A 36 PHE CA . 30653 1 122 . 1 . 1 36 36 PHE CB C 13 37.710 0.047 . 1 . . . . A 36 PHE CB . 30653 1 123 . 1 . 1 36 36 PHE N N 15 117.091 0.030 . 1 . . . . A 36 PHE N . 30653 1 124 . 1 . 1 37 37 SER H H 1 8.127 0.003 . 1 . . . . A 37 SER H . 30653 1 125 . 1 . 1 37 37 SER C C 13 175.038 0.003 . 1 . . . . A 37 SER C . 30653 1 126 . 1 . 1 37 37 SER CA C 13 63.453 0.038 . 1 . . . . A 37 SER CA . 30653 1 127 . 1 . 1 37 37 SER CB C 13 59.541 0.053 . 1 . . . . A 37 SER CB . 30653 1 128 . 1 . 1 37 37 SER N N 15 116.896 0.000 . 1 . . . . A 37 SER N . 30653 1 129 . 1 . 1 38 38 GLU H H 1 7.693 0.004 . 1 . . . . A 38 GLU H . 30653 1 130 . 1 . 1 38 38 GLU C C 13 178.029 0.021 . 1 . . . . A 38 GLU C . 30653 1 131 . 1 . 1 38 38 GLU CA C 13 59.412 0.076 . 1 . . . . A 38 GLU CA . 30653 1 132 . 1 . 1 38 38 GLU CB C 13 30.590 0.034 . 1 . . . . A 38 GLU CB . 30653 1 133 . 1 . 1 38 38 GLU N N 15 121.357 0.000 . 1 . . . . A 38 GLU N . 30653 1 134 . 1 . 1 39 39 VAL H H 1 6.504 0.004 . 1 . . . . A 39 VAL H . 30653 1 135 . 1 . 1 39 39 VAL C C 13 174.834 0.008 . 1 . . . . A 39 VAL C . 30653 1 136 . 1 . 1 39 39 VAL CA C 13 61.315 0.014 . 1 . . . . A 39 VAL CA . 30653 1 137 . 1 . 1 39 39 VAL CB C 13 31.589 0.040 . 1 . . . . A 39 VAL CB . 30653 1 138 . 1 . 1 39 39 VAL N N 15 104.484 0.000 . 1 . . . . A 39 VAL N . 30653 1 139 . 1 . 1 40 40 GLY H H 1 7.234 0.002 . 1 . . . . A 40 GLY H . 30653 1 140 . 1 . 1 40 40 GLY N N 15 110.487 0.000 . 1 . . . . A 40 GLY N . 30653 1 141 . 1 . 1 42 42 VAL H H 1 8.388 0.002 . 1 . . . . A 42 VAL H . 30653 1 142 . 1 . 1 42 42 VAL CA C 13 62.086 0.054 . 1 . . . . A 42 VAL CA . 30653 1 143 . 1 . 1 42 42 VAL CB C 13 33.945 0.079 . 1 . . . . A 42 VAL CB . 30653 1 144 . 1 . 1 42 42 VAL N N 15 124.509 0.000 . 1 . . . . A 42 VAL N . 30653 1 145 . 1 . 1 43 43 VAL H H 1 9.099 0.004 . 1 . . . . A 43 VAL H . 30653 1 146 . 1 . 1 43 43 VAL CB C 13 32.367 0.015 . 1 . . . . A 43 VAL CB . 30653 1 147 . 1 . 1 43 43 VAL N N 15 129.974 0.000 . 1 . . . . A 43 VAL N . 30653 1 148 . 1 . 1 44 44 SER H H 1 7.327 0.006 . 1 . . . . A 44 SER H . 30653 1 149 . 1 . 1 44 44 SER C C 13 171.244 0.001 . 1 . . . . A 44 SER C . 30653 1 150 . 1 . 1 44 44 SER CA C 13 57.751 0.057 . 1 . . . . A 44 SER CA . 30653 1 151 . 1 . 1 44 44 SER N N 15 110.744 0.030 . 1 . . . . A 44 SER N . 30653 1 152 . 1 . 1 45 45 PHE H H 1 8.861 0.001 . 1 . . . . A 45 PHE H . 30653 1 153 . 1 . 1 45 45 PHE N N 15 125.959 0.000 . 1 . . . . A 45 PHE N . 30653 1 154 . 1 . 1 46 46 ARG H H 1 8.117 0.006 . 1 . . . . A 46 ARG H . 30653 1 155 . 1 . 1 46 46 ARG C C 13 175.263 0.034 . 1 . . . . A 46 ARG C . 30653 1 156 . 1 . 1 46 46 ARG CA C 13 53.305 0.015 . 1 . . . . A 46 ARG CA . 30653 1 157 . 1 . 1 46 46 ARG CB C 13 33.129 0.055 . 1 . . . . A 46 ARG CB . 30653 1 158 . 1 . 1 46 46 ARG N N 15 126.336 0.000 . 1 . . . . A 46 ARG N . 30653 1 159 . 1 . 1 47 47 LEU H H 1 9.204 0.007 . 1 . . . . A 47 LEU H . 30653 1 160 . 1 . 1 47 47 LEU C C 13 175.536 0.004 . 1 . . . . A 47 LEU C . 30653 1 161 . 1 . 1 47 47 LEU CA C 13 54.364 0.033 . 1 . . . . A 47 LEU CA . 30653 1 162 . 1 . 1 47 47 LEU CB C 13 42.940 0.030 . 1 . . . . A 47 LEU CB . 30653 1 163 . 1 . 1 47 47 LEU N N 15 124.933 0.000 . 1 . . . . A 47 LEU N . 30653 1 164 . 1 . 1 48 48 VAL H H 1 7.427 0.004 . 1 . . . . A 48 VAL H . 30653 1 165 . 1 . 1 48 48 VAL C C 13 174.811 0.009 . 1 . . . . A 48 VAL C . 30653 1 166 . 1 . 1 48 48 VAL CA C 13 62.312 0.069 . 1 . . . . A 48 VAL CA . 30653 1 167 . 1 . 1 48 48 VAL CB C 13 31.677 0.034 . 1 . . . . A 48 VAL CB . 30653 1 168 . 1 . 1 48 48 VAL N N 15 119.105 0.000 . 1 . . . . A 48 VAL N . 30653 1 169 . 1 . 1 49 49 TYR H H 1 8.704 0.002 . 1 . . . . A 49 TYR H . 30653 1 170 . 1 . 1 49 49 TYR N N 15 126.838 0.000 . 1 . . . . A 49 TYR N . 30653 1 171 . 1 . 1 50 50 ALA H H 1 8.992 0.006 . 1 . . . . A 50 ALA H . 30653 1 172 . 1 . 1 50 50 ALA C C 13 178.705 0.025 . 1 . . . . A 50 ALA C . 30653 1 173 . 1 . 1 50 50 ALA CA C 13 51.673 0.019 . 1 . . . . A 50 ALA CA . 30653 1 174 . 1 . 1 50 50 ALA N N 15 125.508 0.000 . 1 . . . . A 50 ALA N . 30653 1 175 . 1 . 1 51 51 ARG H H 1 9.019 0.002 . 1 . . . . A 51 ARG H . 30653 1 176 . 1 . 1 51 51 ARG C C 13 178.490 0.006 . 1 . . . . A 51 ARG C . 30653 1 177 . 1 . 1 51 51 ARG CA C 13 58.743 0.003 . 1 . . . . A 51 ARG CA . 30653 1 178 . 1 . 1 51 51 ARG CB C 13 30.154 0.050 . 1 . . . . A 51 ARG CB . 30653 1 179 . 1 . 1 51 51 ARG N N 15 126.680 0.000 . 1 . . . . A 51 ARG N . 30653 1 180 . 1 . 1 52 52 GLU H H 1 9.475 0.005 . 1 . . . . A 52 GLU H . 30653 1 181 . 1 . 1 52 52 GLU C C 13 177.690 0.002 . 1 . . . . A 52 GLU C . 30653 1 182 . 1 . 1 52 52 GLU CA C 13 59.639 0.070 . 1 . . . . A 52 GLU CA . 30653 1 183 . 1 . 1 52 52 GLU CB C 13 29.522 0.099 . 1 . . . . A 52 GLU CB . 30653 1 184 . 1 . 1 52 52 GLU N N 15 116.109 0.000 . 1 . . . . A 52 GLU N . 30653 1 185 . 1 . 1 53 53 THR H H 1 7.009 0.007 . 1 . . . . A 53 THR H . 30653 1 186 . 1 . 1 53 53 THR C C 13 176.108 0.036 . 1 . . . . A 53 THR C . 30653 1 187 . 1 . 1 53 53 THR CA C 13 60.854 0.004 . 1 . . . . A 53 THR CA . 30653 1 188 . 1 . 1 53 53 THR CB C 13 71.200 0.079 . 1 . . . . A 53 THR CB . 30653 1 189 . 1 . 1 53 53 THR N N 15 103.544 0.000 . 1 . . . . A 53 THR N . 30653 1 190 . 1 . 1 54 54 GLY H H 1 8.327 0.005 . 1 . . . . A 54 GLY H . 30653 1 191 . 1 . 1 54 54 GLY C C 13 173.870 0.010 . 1 . . . . A 54 GLY C . 30653 1 192 . 1 . 1 54 54 GLY CA C 13 45.824 0.052 . 1 . . . . A 54 GLY CA . 30653 1 193 . 1 . 1 54 54 GLY N N 15 111.025 0.000 . 1 . . . . A 54 GLY N . 30653 1 194 . 1 . 1 55 55 LYS H H 1 7.751 0.002 . 1 . . . . A 55 LYS H . 30653 1 195 . 1 . 1 55 55 LYS N N 15 119.744 0.000 . 1 . . . . A 55 LYS N . 30653 1 196 . 1 . 1 57 57 LYS H H 1 8.278 0.002 . 1 . . . . A 57 LYS H . 30653 1 197 . 1 . 1 57 57 LYS CA C 13 56.917 0.015 . 1 . . . . A 57 LYS CA . 30653 1 198 . 1 . 1 57 57 LYS CB C 13 33.615 0.012 . 1 . . . . A 57 LYS CB . 30653 1 199 . 1 . 1 57 57 LYS N N 15 118.834 0.000 . 1 . . . . A 57 LYS N . 30653 1 200 . 1 . 1 58 58 GLY H H 1 8.638 0.002 . 1 . . . . A 58 GLY H . 30653 1 201 . 1 . 1 58 58 GLY C C 13 172.373 0.011 . 1 . . . . A 58 GLY C . 30653 1 202 . 1 . 1 58 58 GLY CA C 13 45.425 0.014 . 1 . . . . A 58 GLY CA . 30653 1 203 . 1 . 1 58 58 GLY N N 15 107.742 0.000 . 1 . . . . A 58 GLY N . 30653 1 204 . 1 . 1 59 59 TYR H H 1 6.963 0.003 . 1 . . . . A 59 TYR H . 30653 1 205 . 1 . 1 59 59 TYR C C 13 173.768 0.004 . 1 . . . . A 59 TYR C . 30653 1 206 . 1 . 1 59 59 TYR CA C 13 54.962 0.016 . 1 . . . . A 59 TYR CA . 30653 1 207 . 1 . 1 59 59 TYR CB C 13 41.272 0.016 . 1 . . . . A 59 TYR CB . 30653 1 208 . 1 . 1 59 59 TYR N N 15 113.350 0.000 . 1 . . . . A 59 TYR N . 30653 1 209 . 1 . 1 60 60 GLY H H 1 8.788 0.002 . 1 . . . . A 60 GLY H . 30653 1 210 . 1 . 1 60 60 GLY C C 13 168.962 0.015 . 1 . . . . A 60 GLY C . 30653 1 211 . 1 . 1 60 60 GLY CA C 13 45.410 0.031 . 1 . . . . A 60 GLY CA . 30653 1 212 . 1 . 1 60 60 GLY N N 15 107.169 0.000 . 1 . . . . A 60 GLY N . 30653 1 213 . 1 . 1 61 61 PHE H H 1 8.289 0.001 . 1 . . . . A 61 PHE H . 30653 1 214 . 1 . 1 61 61 PHE C C 13 174.050 0.003 . 1 . . . . A 61 PHE C . 30653 1 215 . 1 . 1 61 61 PHE CA C 13 56.102 0.000 . 1 . . . . A 61 PHE CA . 30653 1 216 . 1 . 1 61 61 PHE CB C 13 43.940 0.010 . 1 . . . . A 61 PHE CB . 30653 1 217 . 1 . 1 61 61 PHE N N 15 113.686 0.000 . 1 . . . . A 61 PHE N . 30653 1 218 . 1 . 1 62 62 CYS H H 1 8.618 0.003 . 1 . . . . A 62 CYS H . 30653 1 219 . 1 . 1 62 62 CYS C C 13 171.468 0.007 . 1 . . . . A 62 CYS C . 30653 1 220 . 1 . 1 62 62 CYS CB C 13 28.113 0.053 . 1 . . . . A 62 CYS CB . 30653 1 221 . 1 . 1 62 62 CYS N N 15 123.859 0.000 . 1 . . . . A 62 CYS N . 30653 1 222 . 1 . 1 63 63 GLU H H 1 8.914 0.002 . 1 . . . . A 63 GLU H . 30653 1 223 . 1 . 1 63 63 GLU C C 13 174.422 0.017 . 1 . . . . A 63 GLU C . 30653 1 224 . 1 . 1 63 63 GLU CA C 13 55.316 0.030 . 1 . . . . A 63 GLU CA . 30653 1 225 . 1 . 1 63 63 GLU CB C 13 32.531 0.020 . 1 . . . . A 63 GLU CB . 30653 1 226 . 1 . 1 63 63 GLU N N 15 131.968 0.000 . 1 . . . . A 63 GLU N . 30653 1 227 . 1 . 1 64 64 TYR H H 1 8.938 0.004 . 1 . . . . A 64 TYR H . 30653 1 228 . 1 . 1 64 64 TYR C C 13 175.088 0.027 . 1 . . . . A 64 TYR C . 30653 1 229 . 1 . 1 64 64 TYR CA C 13 58.366 0.086 . 1 . . . . A 64 TYR CA . 30653 1 230 . 1 . 1 64 64 TYR CB C 13 40.781 0.001 . 1 . . . . A 64 TYR CB . 30653 1 231 . 1 . 1 64 64 TYR N N 15 126.312 0.000 . 1 . . . . A 64 TYR N . 30653 1 232 . 1 . 1 65 65 GLN H H 1 9.985 0.002 . 1 . . . . A 65 GLN H . 30653 1 233 . 1 . 1 65 65 GLN C C 13 176.238 0.009 . 1 . . . . A 65 GLN C . 30653 1 234 . 1 . 1 65 65 GLN CA C 13 57.852 0.040 . 1 . . . . A 65 GLN CA . 30653 1 235 . 1 . 1 65 65 GLN CB C 13 29.605 0.089 . 1 . . . . A 65 GLN CB . 30653 1 236 . 1 . 1 65 65 GLN N N 15 115.705 0.000 . 1 . . . . A 65 GLN N . 30653 1 237 . 1 . 1 66 66 ASP H H 1 7.501 0.003 . 1 . . . . A 66 ASP H . 30653 1 238 . 1 . 1 66 66 ASP C C 13 174.426 0.001 . 1 . . . . A 66 ASP C . 30653 1 239 . 1 . 1 66 66 ASP CA C 13 52.567 0.019 . 1 . . . . A 66 ASP CA . 30653 1 240 . 1 . 1 66 66 ASP CB C 13 42.952 0.031 . 1 . . . . A 66 ASP CB . 30653 1 241 . 1 . 1 66 66 ASP N N 15 110.975 0.000 . 1 . . . . A 66 ASP N . 30653 1 242 . 1 . 1 67 67 GLN H H 1 8.873 0.002 . 1 . . . . A 67 GLN H . 30653 1 243 . 1 . 1 67 67 GLN C C 13 177.780 0.014 . 1 . . . . A 67 GLN C . 30653 1 244 . 1 . 1 67 67 GLN CA C 13 58.528 0.018 . 1 . . . . A 67 GLN CA . 30653 1 245 . 1 . 1 67 67 GLN CB C 13 29.176 0.084 . 1 . . . . A 67 GLN CB . 30653 1 246 . 1 . 1 67 67 GLN N N 15 119.691 0.000 . 1 . . . . A 67 GLN N . 30653 1 247 . 1 . 1 68 68 GLU H H 1 9.060 0.001 . 1 . . . . A 68 GLU H . 30653 1 248 . 1 . 1 68 68 GLU C C 13 179.562 0.005 . 1 . . . . A 68 GLU C . 30653 1 249 . 1 . 1 68 68 GLU CA C 13 60.312 0.011 . 1 . . . . A 68 GLU CA . 30653 1 250 . 1 . 1 68 68 GLU CB C 13 28.686 0.018 . 1 . . . . A 68 GLU CB . 30653 1 251 . 1 . 1 68 68 GLU N N 15 120.671 0.000 . 1 . . . . A 68 GLU N . 30653 1 252 . 1 . 1 69 69 THR H H 1 8.531 0.003 . 1 . . . . A 69 THR H . 30653 1 253 . 1 . 1 69 69 THR C C 13 175.298 0.003 . 1 . . . . A 69 THR C . 30653 1 254 . 1 . 1 69 69 THR N N 15 118.190 0.000 . 1 . . . . A 69 THR N . 30653 1 255 . 1 . 1 70 70 ALA H H 1 7.022 0.005 . 1 . . . . A 70 ALA H . 30653 1 256 . 1 . 1 70 70 ALA C C 13 179.176 0.018 . 1 . . . . A 70 ALA C . 30653 1 257 . 1 . 1 70 70 ALA CA C 13 55.721 0.020 . 1 . . . . A 70 ALA CA . 30653 1 258 . 1 . 1 70 70 ALA CB C 13 17.476 0.076 . 1 . . . . A 70 ALA CB . 30653 1 259 . 1 . 1 70 70 ALA N N 15 124.427 0.000 . 1 . . . . A 70 ALA N . 30653 1 260 . 1 . 1 71 71 LEU H H 1 8.229 0.005 . 1 . . . . A 71 LEU H . 30653 1 261 . 1 . 1 71 71 LEU C C 13 180.079 0.008 . 1 . . . . A 71 LEU C . 30653 1 262 . 1 . 1 71 71 LEU CA C 13 58.037 0.033 . 1 . . . . A 71 LEU CA . 30653 1 263 . 1 . 1 71 71 LEU CB C 13 41.281 0.034 . 1 . . . . A 71 LEU CB . 30653 1 264 . 1 . 1 71 71 LEU N N 15 117.724 0.000 . 1 . . . . A 71 LEU N . 30653 1 265 . 1 . 1 72 72 SER H H 1 7.846 0.003 . 1 . . . . A 72 SER H . 30653 1 266 . 1 . 1 72 72 SER C C 13 177.485 0.002 . 1 . . . . A 72 SER C . 30653 1 267 . 1 . 1 72 72 SER CB C 13 60.900 0.004 . 1 . . . . A 72 SER CB . 30653 1 268 . 1 . 1 72 72 SER N N 15 115.624 0.000 . 1 . . . . A 72 SER N . 30653 1 269 . 1 . 1 73 73 ALA H H 1 8.391 0.005 . 1 . . . . A 73 ALA H . 30653 1 270 . 1 . 1 73 73 ALA C C 13 179.774 0.003 . 1 . . . . A 73 ALA C . 30653 1 271 . 1 . 1 73 73 ALA CA C 13 55.924 0.024 . 1 . . . . A 73 ALA CA . 30653 1 272 . 1 . 1 73 73 ALA CB C 13 19.100 0.006 . 1 . . . . A 73 ALA CB . 30653 1 273 . 1 . 1 73 73 ALA N N 15 124.386 0.055 . 1 . . . . A 73 ALA N . 30653 1 274 . 1 . 1 74 74 MET H H 1 7.932 0.003 . 1 . . . . A 74 MET H . 30653 1 275 . 1 . 1 74 74 MET C C 13 177.758 0.009 . 1 . . . . A 74 MET C . 30653 1 276 . 1 . 1 74 74 MET CA C 13 60.021 0.062 . 1 . . . . A 74 MET CA . 30653 1 277 . 1 . 1 74 74 MET CB C 13 33.557 0.021 . 1 . . . . A 74 MET CB . 30653 1 278 . 1 . 1 74 74 MET N N 15 117.009 0.000 . 1 . . . . A 74 MET N . 30653 1 279 . 1 . 1 75 75 ARG H H 1 7.876 0.004 . 1 . . . . A 75 ARG H . 30653 1 280 . 1 . 1 75 75 ARG C C 13 178.432 0.013 . 1 . . . . A 75 ARG C . 30653 1 281 . 1 . 1 75 75 ARG CA C 13 58.897 0.017 . 1 . . . . A 75 ARG CA . 30653 1 282 . 1 . 1 75 75 ARG CB C 13 31.166 0.010 . 1 . . . . A 75 ARG CB . 30653 1 283 . 1 . 1 75 75 ARG N N 15 116.121 0.000 . 1 . . . . A 75 ARG N . 30653 1 284 . 1 . 1 76 76 ASN H H 1 8.539 0.004 . 1 . . . . A 76 ASN H . 30653 1 285 . 1 . 1 76 76 ASN C C 13 176.472 0.032 . 1 . . . . A 76 ASN C . 30653 1 286 . 1 . 1 76 76 ASN CA C 13 55.393 0.012 . 1 . . . . A 76 ASN CA . 30653 1 287 . 1 . 1 76 76 ASN CB C 13 40.179 0.033 . 1 . . . . A 76 ASN CB . 30653 1 288 . 1 . 1 76 76 ASN N N 15 113.774 0.000 . 1 . . . . A 76 ASN N . 30653 1 289 . 1 . 1 77 77 LEU H H 1 8.602 0.005 . 1 . . . . A 77 LEU H . 30653 1 290 . 1 . 1 77 77 LEU C C 13 176.769 0.001 . 1 . . . . A 77 LEU C . 30653 1 291 . 1 . 1 77 77 LEU CA C 13 54.857 0.022 . 1 . . . . A 77 LEU CA . 30653 1 292 . 1 . 1 77 77 LEU CB C 13 42.494 0.026 . 1 . . . . A 77 LEU CB . 30653 1 293 . 1 . 1 77 77 LEU N N 15 117.154 0.000 . 1 . . . . A 77 LEU N . 30653 1 294 . 1 . 1 78 78 ASN H H 1 6.810 0.004 . 1 . . . . A 78 ASN H . 30653 1 295 . 1 . 1 78 78 ASN C C 13 176.393 0.001 . 1 . . . . A 78 ASN C . 30653 1 296 . 1 . 1 78 78 ASN CA C 13 56.398 0.006 . 1 . . . . A 78 ASN CA . 30653 1 297 . 1 . 1 78 78 ASN CB C 13 39.088 0.040 . 1 . . . . A 78 ASN CB . 30653 1 298 . 1 . 1 78 78 ASN N N 15 115.417 0.000 . 1 . . . . A 78 ASN N . 30653 1 299 . 1 . 1 79 79 GLY H H 1 9.065 0.005 . 1 . . . . A 79 GLY H . 30653 1 300 . 1 . 1 79 79 GLY C C 13 173.425 0.022 . 1 . . . . A 79 GLY C . 30653 1 301 . 1 . 1 79 79 GLY CA C 13 45.479 0.037 . 1 . . . . A 79 GLY CA . 30653 1 302 . 1 . 1 79 79 GLY N N 15 117.594 0.030 . 1 . . . . A 79 GLY N . 30653 1 303 . 1 . 1 80 80 ARG H H 1 7.752 0.003 . 1 . . . . A 80 ARG H . 30653 1 304 . 1 . 1 80 80 ARG C C 13 175.511 0.012 . 1 . . . . A 80 ARG C . 30653 1 305 . 1 . 1 80 80 ARG CA C 13 55.412 0.064 . 1 . . . . A 80 ARG CA . 30653 1 306 . 1 . 1 80 80 ARG CB C 13 30.172 0.067 . 1 . . . . A 80 ARG CB . 30653 1 307 . 1 . 1 80 80 ARG N N 15 122.070 0.000 . 1 . . . . A 80 ARG N . 30653 1 308 . 1 . 1 81 81 GLU H H 1 8.590 0.002 . 1 . . . . A 81 GLU H . 30653 1 309 . 1 . 1 81 81 GLU C C 13 176.529 0.003 . 1 . . . . A 81 GLU C . 30653 1 310 . 1 . 1 81 81 GLU CA C 13 56.502 0.068 . 1 . . . . A 81 GLU CA . 30653 1 311 . 1 . 1 81 81 GLU N N 15 126.787 0.000 . 1 . . . . A 81 GLU N . 30653 1 312 . 1 . 1 82 82 PHE H H 1 9.354 0.005 . 1 . . . . A 82 PHE H . 30653 1 313 . 1 . 1 82 82 PHE CB C 13 41.516 0.021 . 1 . . . . A 82 PHE CB . 30653 1 314 . 1 . 1 82 82 PHE N N 15 126.922 0.000 . 1 . . . . A 82 PHE N . 30653 1 315 . 1 . 1 83 83 SER H H 1 8.877 0.002 . 1 . . . . A 83 SER H . 30653 1 316 . 1 . 1 83 83 SER C C 13 175.007 0.022 . 1 . . . . A 83 SER C . 30653 1 317 . 1 . 1 83 83 SER CA C 13 57.900 0.091 . 1 . . . . A 83 SER CA . 30653 1 318 . 1 . 1 83 83 SER N N 15 123.003 0.000 . 1 . . . . A 83 SER N . 30653 1 319 . 1 . 1 84 84 GLY H H 1 8.596 0.005 . 1 . . . . A 84 GLY H . 30653 1 320 . 1 . 1 84 84 GLY C C 13 173.959 0.017 . 1 . . . . A 84 GLY C . 30653 1 321 . 1 . 1 84 84 GLY CA C 13 45.126 0.025 . 1 . . . . A 84 GLY CA . 30653 1 322 . 1 . 1 84 84 GLY N N 15 104.024 0.000 . 1 . . . . A 84 GLY N . 30653 1 323 . 1 . 1 85 85 ARG H H 1 7.820 0.003 . 1 . . . . A 85 ARG H . 30653 1 324 . 1 . 1 85 85 ARG C C 13 174.086 0.079 . 1 . . . . A 85 ARG C . 30653 1 325 . 1 . 1 85 85 ARG CA C 13 53.721 0.013 . 1 . . . . A 85 ARG CA . 30653 1 326 . 1 . 1 85 85 ARG CB C 13 32.784 0.038 . 1 . . . . A 85 ARG CB . 30653 1 327 . 1 . 1 85 85 ARG N N 15 120.317 0.000 . 1 . . . . A 85 ARG N . 30653 1 328 . 1 . 1 86 86 ALA H H 1 8.301 0.005 . 1 . . . . A 86 ALA H . 30653 1 329 . 1 . 1 86 86 ALA C C 13 177.253 0.011 . 1 . . . . A 86 ALA C . 30653 1 330 . 1 . 1 86 86 ALA CA C 13 50.912 0.004 . 1 . . . . A 86 ALA CA . 30653 1 331 . 1 . 1 86 86 ALA CB C 13 18.385 0.075 . 1 . . . . A 86 ALA CB . 30653 1 332 . 1 . 1 86 86 ALA N N 15 124.107 0.000 . 1 . . . . A 86 ALA N . 30653 1 333 . 1 . 1 87 87 LEU H H 1 8.972 0.003 . 1 . . . . A 87 LEU H . 30653 1 334 . 1 . 1 87 87 LEU C C 13 176.640 0.009 . 1 . . . . A 87 LEU C . 30653 1 335 . 1 . 1 87 87 LEU CA C 13 55.635 0.003 . 1 . . . . A 87 LEU CA . 30653 1 336 . 1 . 1 87 87 LEU CB C 13 42.468 0.023 . 1 . . . . A 87 LEU CB . 30653 1 337 . 1 . 1 87 87 LEU N N 15 127.185 0.000 . 1 . . . . A 87 LEU N . 30653 1 338 . 1 . 1 88 88 ARG H H 1 8.044 0.004 . 1 . . . . A 88 ARG H . 30653 1 339 . 1 . 1 88 88 ARG C C 13 174.946 0.001 . 1 . . . . A 88 ARG C . 30653 1 340 . 1 . 1 88 88 ARG CA C 13 53.991 0.053 . 1 . . . . A 88 ARG CA . 30653 1 341 . 1 . 1 88 88 ARG N N 15 123.432 0.000 . 1 . . . . A 88 ARG N . 30653 1 342 . 1 . 1 89 89 VAL H H 1 8.873 0.001 . 1 . . . . A 89 VAL H . 30653 1 343 . 1 . 1 89 89 VAL C C 13 174.144 0.012 . 1 . . . . A 89 VAL C . 30653 1 344 . 1 . 1 89 89 VAL CA C 13 61.118 0.070 . 1 . . . . A 89 VAL CA . 30653 1 345 . 1 . 1 89 89 VAL CB C 13 34.117 0.009 . 1 . . . . A 89 VAL CB . 30653 1 346 . 1 . 1 89 89 VAL N N 15 126.006 0.000 . 1 . . . . A 89 VAL N . 30653 1 347 . 1 . 1 90 90 ASP H H 1 9.349 0.003 . 1 . . . . A 90 ASP H . 30653 1 348 . 1 . 1 90 90 ASP C C 13 175.115 0.006 . 1 . . . . A 90 ASP C . 30653 1 349 . 1 . 1 90 90 ASP CA C 13 51.876 0.001 . 1 . . . . A 90 ASP CA . 30653 1 350 . 1 . 1 90 90 ASP CB C 13 45.745 0.007 . 1 . . . . A 90 ASP CB . 30653 1 351 . 1 . 1 90 90 ASP N N 15 126.773 0.000 . 1 . . . . A 90 ASP N . 30653 1 352 . 1 . 1 91 91 ASN H H 1 9.244 0.006 . 1 . . . . A 91 ASN H . 30653 1 353 . 1 . 1 91 91 ASN C C 13 175.506 0.008 . 1 . . . . A 91 ASN C . 30653 1 354 . 1 . 1 91 91 ASN CA C 13 54.619 0.014 . 1 . . . . A 91 ASN CA . 30653 1 355 . 1 . 1 91 91 ASN CB C 13 39.334 0.001 . 1 . . . . A 91 ASN CB . 30653 1 356 . 1 . 1 91 91 ASN N N 15 120.472 0.000 . 1 . . . . A 91 ASN N . 30653 1 357 . 1 . 1 92 92 ALA H H 1 8.549 0.003 . 1 . . . . A 92 ALA H . 30653 1 358 . 1 . 1 92 92 ALA C C 13 175.890 0.027 . 1 . . . . A 92 ALA C . 30653 1 359 . 1 . 1 92 92 ALA CA C 13 53.280 0.035 . 1 . . . . A 92 ALA CA . 30653 1 360 . 1 . 1 92 92 ALA N N 15 125.909 0.000 . 1 . . . . A 92 ALA N . 30653 1 361 . 1 . 1 93 93 ALA H H 1 8.089 0.006 . 1 . . . . A 93 ALA H . 30653 1 362 . 1 . 1 93 93 ALA C C 13 177.849 0.003 . 1 . . . . A 93 ALA C . 30653 1 363 . 1 . 1 93 93 ALA CA C 13 52.288 0.003 . 1 . . . . A 93 ALA CA . 30653 1 364 . 1 . 1 93 93 ALA N N 15 118.221 0.030 . 1 . . . . A 93 ALA N . 30653 1 365 . 1 . 1 94 94 SER H H 1 7.675 0.011 . 1 . . . . A 94 SER H . 30653 1 366 . 1 . 1 94 94 SER N N 15 114.301 0.000 . 1 . . . . A 94 SER N . 30653 1 367 . 1 . 1 95 95 GLU H H 1 8.688 0.003 . 1 . . . . A 95 GLU H . 30653 1 368 . 1 . 1 95 95 GLU C C 13 178.078 0.012 . 1 . . . . A 95 GLU C . 30653 1 369 . 1 . 1 95 95 GLU CA C 13 59.036 0.066 . 1 . . . . A 95 GLU CA . 30653 1 370 . 1 . 1 95 95 GLU CB C 13 29.394 0.001 . 1 . . . . A 95 GLU CB . 30653 1 371 . 1 . 1 95 95 GLU N N 15 123.243 0.000 . 1 . . . . A 95 GLU N . 30653 1 372 . 1 . 1 96 96 LYS H H 1 8.134 0.005 . 1 . . . . A 96 LYS H . 30653 1 373 . 1 . 1 96 96 LYS C C 13 177.891 0.005 . 1 . . . . A 96 LYS C . 30653 1 374 . 1 . 1 96 96 LYS CA C 13 58.032 0.010 . 1 . . . . A 96 LYS CA . 30653 1 375 . 1 . 1 96 96 LYS CB C 13 32.432 0.000 . 1 . . . . A 96 LYS CB . 30653 1 376 . 1 . 1 96 96 LYS N N 15 118.084 0.000 . 1 . . . . A 96 LYS N . 30653 1 377 . 1 . 1 97 97 ASN H H 1 7.712 0.012 . 1 . . . . A 97 ASN H . 30653 1 378 . 1 . 1 97 97 ASN C C 13 176.217 0.004 . 1 . . . . A 97 ASN C . 30653 1 379 . 1 . 1 97 97 ASN CA C 13 54.409 0.007 . 1 . . . . A 97 ASN CA . 30653 1 380 . 1 . 1 97 97 ASN CB C 13 38.349 0.014 . 1 . . . . A 97 ASN CB . 30653 1 381 . 1 . 1 97 97 ASN N N 15 117.511 0.000 . 1 . . . . A 97 ASN N . 30653 1 382 . 1 . 1 98 98 LYS H H 1 8.217 0.006 . 1 . . . . A 98 LYS H . 30653 1 383 . 1 . 1 98 98 LYS C C 13 178.632 0.019 . 1 . . . . A 98 LYS C . 30653 1 384 . 1 . 1 98 98 LYS CB C 13 32.412 0.019 . 1 . . . . A 98 LYS CB . 30653 1 385 . 1 . 1 98 98 LYS N N 15 121.120 0.000 . 1 . . . . A 98 LYS N . 30653 1 386 . 1 . 1 99 99 GLU H H 1 8.062 0.009 . 1 . . . . A 99 GLU H . 30653 1 387 . 1 . 1 99 99 GLU CA C 13 58.519 0.073 . 1 . . . . A 99 GLU CA . 30653 1 388 . 1 . 1 99 99 GLU CB C 13 29.457 0.096 . 1 . . . . A 99 GLU CB . 30653 1 389 . 1 . 1 99 99 GLU N N 15 119.706 0.000 . 1 . . . . A 99 GLU N . 30653 1 390 . 1 . 1 100 100 GLU H H 1 8.151 0.002 . 1 . . . . A 100 GLU H . 30653 1 391 . 1 . 1 100 100 GLU CA C 13 58.629 0.036 . 1 . . . . A 100 GLU CA . 30653 1 392 . 1 . 1 100 100 GLU CB C 13 29.570 0.017 . 1 . . . . A 100 GLU CB . 30653 1 393 . 1 . 1 100 100 GLU N N 15 120.917 0.000 . 1 . . . . A 100 GLU N . 30653 1 394 . 1 . 1 101 101 LEU H H 1 8.094 0.003 . 1 . . . . A 101 LEU H . 30653 1 395 . 1 . 1 101 101 LEU C C 13 178.850 0.031 . 1 . . . . A 101 LEU C . 30653 1 396 . 1 . 1 101 101 LEU CA C 13 56.920 0.013 . 1 . . . . A 101 LEU CA . 30653 1 397 . 1 . 1 101 101 LEU CB C 13 41.641 0.008 . 1 . . . . A 101 LEU CB . 30653 1 398 . 1 . 1 101 101 LEU N N 15 120.940 0.000 . 1 . . . . A 101 LEU N . 30653 1 399 . 1 . 1 102 102 LYS H H 1 7.820 0.006 . 1 . . . . A 102 LYS H . 30653 1 400 . 1 . 1 102 102 LYS C C 13 178.193 0.017 . 1 . . . . A 102 LYS C . 30653 1 401 . 1 . 1 102 102 LYS CA C 13 58.227 0.032 . 1 . . . . A 102 LYS CA . 30653 1 402 . 1 . 1 102 102 LYS CB C 13 32.458 0.007 . 1 . . . . A 102 LYS CB . 30653 1 403 . 1 . 1 102 102 LYS N N 15 119.764 0.000 . 1 . . . . A 102 LYS N . 30653 1 404 . 1 . 1 103 103 SER H H 1 7.858 0.007 . 1 . . . . A 103 SER H . 30653 1 405 . 1 . 1 103 103 SER C C 13 174.877 0.015 . 1 . . . . A 103 SER C . 30653 1 406 . 1 . 1 103 103 SER CA C 13 63.491 0.038 . 1 . . . . A 103 SER CA . 30653 1 407 . 1 . 1 103 103 SER CB C 13 59.464 0.005 . 1 . . . . A 103 SER CB . 30653 1 408 . 1 . 1 103 103 SER N N 15 114.700 0.000 . 1 . . . . A 103 SER N . 30653 1 409 . 1 . 1 104 104 LEU H H 1 7.695 0.010 . 1 . . . . A 104 LEU H . 30653 1 410 . 1 . 1 104 104 LEU C C 13 177.954 0.008 . 1 . . . . A 104 LEU C . 30653 1 411 . 1 . 1 104 104 LEU CA C 13 55.795 0.019 . 1 . . . . A 104 LEU CA . 30653 1 412 . 1 . 1 104 104 LEU CB C 13 42.305 0.022 . 1 . . . . A 104 LEU CB . 30653 1 413 . 1 . 1 104 104 LEU N N 15 122.552 0.000 . 1 . . . . A 104 LEU N . 30653 1 414 . 1 . 1 105 105 GLY H H 1 8.017 0.007 . 1 . . . . A 105 GLY H . 30653 1 415 . 1 . 1 105 105 GLY C C 13 174.342 0.048 . 1 . . . . A 105 GLY C . 30653 1 416 . 1 . 1 105 105 GLY CA C 13 45.386 0.012 . 1 . . . . A 105 GLY CA . 30653 1 417 . 1 . 1 105 105 GLY N N 15 107.681 0.000 . 1 . . . . A 105 GLY N . 30653 1 418 . 1 . 1 106 106 THR H H 1 8.034 0.004 . 1 . . . . A 106 THR H . 30653 1 419 . 1 . 1 106 106 THR CA C 13 69.700 0.008 . 1 . . . . A 106 THR CA . 30653 1 420 . 1 . 1 106 106 THR CB C 13 61.651 0.072 . 1 . . . . A 106 THR CB . 30653 1 421 . 1 . 1 106 106 THR N N 15 112.680 0.000 . 1 . . . . A 106 THR N . 30653 1 422 . 1 . 1 107 107 GLY H H 1 8.074 0.004 . 1 . . . . A 107 GLY H . 30653 1 423 . 1 . 1 107 107 GLY N N 15 117.326 0.000 . 1 . . . . A 107 GLY N . 30653 1 stop_ save_