################################### # 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 52740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N-IDR _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52740 1 2 '3D HNCO' . . . 52740 1 3 '3D HNCACB' . . . 52740 1 4 '3D CBCACONH' . . . 52740 1 5 '3D HNN' . . . 52740 1 6 '3D HN(CA)CO' . . . 52740 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52740 1 2 $software_2 . . 52740 1 3 $software_3 . . 52740 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER C C 13 173.769 0.00 . 1 . . . . . 2 SER C . 52740 1 2 . 1 . 1 2 2 SER CA C 13 58.166 0.02 . 1 . . . . . 2 SER CA . 52740 1 3 . 1 . 1 2 2 SER CB C 13 63.802 0.01 . 1 . . . . . 2 SER CB . 52740 1 4 . 1 . 1 3 3 HIS H H 1 8.748 0.00 . 1 . . . . . 3 HIS H . 52740 1 5 . 1 . 1 3 3 HIS C C 13 174.306 0.00 . 1 . . . . . 3 HIS C . 52740 1 6 . 1 . 1 3 3 HIS CA C 13 55.540 0.01 . 1 . . . . . 3 HIS CA . 52740 1 7 . 1 . 1 3 3 HIS CB C 13 29.457 0.01 . 1 . . . . . 3 HIS CB . 52740 1 8 . 1 . 1 3 3 HIS N N 15 121.278 0.00 . 1 . . . . . 3 HIS N . 52740 1 9 . 1 . 1 4 4 VAL H H 1 8.217 0.00 . 1 . . . . . 4 VAL H . 52740 1 10 . 1 . 1 4 4 VAL C C 13 175.609 0.00 . 1 . . . . . 4 VAL C . 52740 1 11 . 1 . 1 4 4 VAL CA C 13 62.253 0.02 . 1 . . . . . 4 VAL CA . 52740 1 12 . 1 . 1 4 4 VAL CB C 13 32.812 0.01 . 1 . . . . . 4 VAL CB . 52740 1 13 . 1 . 1 4 4 VAL N N 15 122.088 0.00 . 1 . . . . . 4 VAL N . 52740 1 14 . 1 . 1 5 5 ALA H H 1 8.498 0.00 . 1 . . . . . 5 ALA H . 52740 1 15 . 1 . 1 5 5 ALA C C 13 177.717 0.00 . 1 . . . . . 5 ALA C . 52740 1 16 . 1 . 1 5 5 ALA CA C 13 52.522 0.06 . 1 . . . . . 5 ALA CA . 52740 1 17 . 1 . 1 5 5 ALA CB C 13 19.168 0.02 . 1 . . . . . 5 ALA CB . 52740 1 18 . 1 . 1 5 5 ALA N N 15 128.574 0.00 . 1 . . . . . 5 ALA N . 52740 1 19 . 1 . 1 6 6 VAL H H 1 8.232 0.00 . 1 . . . . . 6 VAL H . 52740 1 20 . 1 . 1 6 6 VAL C C 13 176.319 0.00 . 1 . . . . . 6 VAL C . 52740 1 21 . 1 . 1 6 6 VAL CA C 13 62.448 0.01 . 1 . . . . . 6 VAL CA . 52740 1 22 . 1 . 1 6 6 VAL CB C 13 32.789 0.02 . 1 . . . . . 6 VAL CB . 52740 1 23 . 1 . 1 6 6 VAL N N 15 120.271 0.02 . 1 . . . . . 6 VAL N . 52740 1 24 . 1 . 1 7 7 GLU H H 1 8.589 0.00 . 1 . . . . . 7 GLU H . 52740 1 25 . 1 . 1 7 7 GLU C C 13 176.258 0.00 . 1 . . . . . 7 GLU C . 52740 1 26 . 1 . 1 7 7 GLU CA C 13 56.727 0.01 . 1 . . . . . 7 GLU CA . 52740 1 27 . 1 . 1 7 7 GLU CB C 13 30.139 0.01 . 1 . . . . . 7 GLU CB . 52740 1 28 . 1 . 1 7 7 GLU N N 15 124.533 0.00 . 1 . . . . . 7 GLU N . 52740 1 29 . 1 . 1 8 8 ASN H H 1 8.521 0.00 . 1 . . . . . 8 ASN H . 52740 1 30 . 1 . 1 8 8 ASN C C 13 175.061 0.00 . 1 . . . . . 8 ASN C . 52740 1 31 . 1 . 1 8 8 ASN CA C 13 53.208 0.00 . 1 . . . . . 8 ASN CA . 52740 1 32 . 1 . 1 8 8 ASN CB C 13 38.876 0.02 . 1 . . . . . 8 ASN CB . 52740 1 33 . 1 . 1 8 8 ASN N N 15 119.944 0.00 . 1 . . . . . 8 ASN N . 52740 1 34 . 1 . 1 9 9 ALA H H 1 8.357 0.00 . 1 . . . . . 9 ALA H . 52740 1 35 . 1 . 1 9 9 ALA C C 13 177.868 0.00 . 1 . . . . . 9 ALA C . 52740 1 36 . 1 . 1 9 9 ALA CA C 13 52.939 0.03 . 1 . . . . . 9 ALA CA . 52740 1 37 . 1 . 1 9 9 ALA CB C 13 19.074 0.01 . 1 . . . . . 9 ALA CB . 52740 1 38 . 1 . 1 9 9 ALA N N 15 124.546 0.00 . 1 . . . . . 9 ALA N . 52740 1 39 . 1 . 1 10 10 LEU H H 1 8.248 0.00 . 1 . . . . . 10 LEU H . 52740 1 40 . 1 . 1 10 10 LEU C C 13 178.040 0.00 . 1 . . . . . 10 LEU C . 52740 1 41 . 1 . 1 10 10 LEU CA C 13 55.290 0.01 . 1 . . . . . 10 LEU CA . 52740 1 42 . 1 . 1 10 10 LEU CB C 13 42.219 0.01 . 1 . . . . . 10 LEU CB . 52740 1 43 . 1 . 1 10 10 LEU N N 15 120.376 0.01 . 1 . . . . . 10 LEU N . 52740 1 44 . 1 . 1 11 11 GLY H H 1 8.335 0.00 . 1 . . . . . 11 GLY H . 52740 1 45 . 1 . 1 11 11 GLY C C 13 174.484 0.00 . 1 . . . . . 11 GLY C . 52740 1 46 . 1 . 1 11 11 GLY CA C 13 45.441 0.01 . 1 . . . . . 11 GLY CA . 52740 1 47 . 1 . 1 11 11 GLY N N 15 109.083 0.00 . 1 . . . . . 11 GLY N . 52740 1 48 . 1 . 1 12 12 LEU H H 1 8.150 0.00 . 1 . . . . . 12 LEU H . 52740 1 49 . 1 . 1 12 12 LEU C C 13 177.509 0.00 . 1 . . . . . 12 LEU C . 52740 1 50 . 1 . 1 12 12 LEU CA C 13 55.513 0.02 . 1 . . . . . 12 LEU CA . 52740 1 51 . 1 . 1 12 12 LEU CB C 13 42.292 0.03 . 1 . . . . . 12 LEU CB . 52740 1 52 . 1 . 1 12 12 LEU N N 15 121.461 0.00 . 1 . . . . . 12 LEU N . 52740 1 53 . 1 . 1 13 13 ASP H H 1 8.489 0.00 . 1 . . . . . 13 ASP H . 52740 1 54 . 1 . 1 13 13 ASP C C 13 176.542 0.00 . 1 . . . . . 13 ASP C . 52740 1 55 . 1 . 1 13 13 ASP CA C 13 54.620 0.01 . 1 . . . . . 13 ASP CA . 52740 1 56 . 1 . 1 13 13 ASP CB C 13 40.764 0.01 . 1 . . . . . 13 ASP CB . 52740 1 57 . 1 . 1 13 13 ASP N N 15 120.264 0.00 . 1 . . . . . 13 ASP N . 52740 1 58 . 1 . 1 14 14 GLN H H 1 8.250 0.00 . 1 . . . . . 14 GLN H . 52740 1 59 . 1 . 1 14 14 GLN C C 13 176.130 0.00 . 1 . . . . . 14 GLN C . 52740 1 60 . 1 . 1 14 14 GLN CA C 13 56.127 0.00 . 1 . . . . . 14 GLN CA . 52740 1 61 . 1 . 1 14 14 GLN CB C 13 29.254 0.00 . 1 . . . . . 14 GLN CB . 52740 1 62 . 1 . 1 14 14 GLN N N 15 120.382 0.00 . 1 . . . . . 14 GLN N . 52740 1 63 . 1 . 1 15 15 GLN H H 1 8.334 0.00 . 1 . . . . . 15 GLN H . 52740 1 64 . 1 . 1 15 15 GLN C C 13 175.934 0.00 . 1 . . . . . 15 GLN C . 52740 1 65 . 1 . 1 15 15 GLN CA C 13 56.336 0.03 . 1 . . . . . 15 GLN CA . 52740 1 66 . 1 . 1 15 15 GLN CB C 13 29.182 0.04 . 1 . . . . . 15 GLN CB . 52740 1 67 . 1 . 1 15 15 GLN N N 15 120.596 0.00 . 1 . . . . . 15 GLN N . 52740 1 68 . 1 . 1 16 16 PHE H H 1 8.261 0.01 . 1 . . . . . 16 PHE H . 52740 1 69 . 1 . 1 16 16 PHE C C 13 175.603 0.00 . 1 . . . . . 16 PHE C . 52740 1 70 . 1 . 1 16 16 PHE CA C 13 57.593 0.01 . 1 . . . . . 16 PHE CA . 52740 1 71 . 1 . 1 16 16 PHE CB C 13 39.383 0.00 . 1 . . . . . 16 PHE CB . 52740 1 72 . 1 . 1 16 16 PHE N N 15 120.420 0.02 . 1 . . . . . 16 PHE N . 52740 1 73 . 1 . 1 17 17 ALA H H 1 8.207 0.00 . 1 . . . . . 17 ALA H . 52740 1 74 . 1 . 1 17 17 ALA C C 13 177.930 0.00 . 1 . . . . . 17 ALA C . 52740 1 75 . 1 . 1 17 17 ALA CA C 13 52.748 0.01 . 1 . . . . . 17 ALA CA . 52740 1 76 . 1 . 1 17 17 ALA CB C 13 19.221 0.01 . 1 . . . . . 17 ALA CB . 52740 1 77 . 1 . 1 17 17 ALA N N 15 125.610 0.00 . 1 . . . . . 17 ALA N . 52740 1 78 . 1 . 1 18 18 GLY H H 1 7.990 0.00 . 1 . . . . . 18 GLY H . 52740 1 79 . 1 . 1 18 18 GLY C C 13 174.014 0.00 . 1 . . . . . 18 GLY C . 52740 1 80 . 1 . 1 18 18 GLY CA C 13 45.302 0.00 . 1 . . . . . 18 GLY CA . 52740 1 81 . 1 . 1 18 18 GLY N N 15 107.579 0.00 . 1 . . . . . 18 GLY N . 52740 1 82 . 1 . 1 19 19 LEU H H 1 8.039 0.00 . 1 . . . . . 19 LEU H . 52740 1 83 . 1 . 1 19 19 LEU C C 13 176.941 0.00 . 1 . . . . . 19 LEU C . 52740 1 84 . 1 . 1 19 19 LEU CA C 13 55.079 0.00 . 1 . . . . . 19 LEU CA . 52740 1 85 . 1 . 1 19 19 LEU CB C 13 42.586 0.01 . 1 . . . . . 19 LEU CB . 52740 1 86 . 1 . 1 19 19 LEU N N 15 121.254 0.02 . 1 . . . . . 19 LEU N . 52740 1 87 . 1 . 1 20 20 ASP H H 1 8.481 0.00 . 1 . . . . . 20 ASP H . 52740 1 88 . 1 . 1 20 20 ASP C C 13 176.403 0.00 . 1 . . . . . 20 ASP C . 52740 1 89 . 1 . 1 20 20 ASP CA C 13 53.948 0.03 . 1 . . . . . 20 ASP CA . 52740 1 90 . 1 . 1 20 20 ASP CB C 13 40.831 0.01 . 1 . . . . . 20 ASP CB . 52740 1 91 . 1 . 1 20 20 ASP N N 15 121.187 0.00 . 1 . . . . . 20 ASP N . 52740 1 92 . 1 . 1 21 21 LEU H H 1 8.320 0.00 . 1 . . . . . 21 LEU H . 52740 1 93 . 1 . 1 21 21 LEU C C 13 177.515 0.00 . 1 . . . . . 21 LEU C . 52740 1 94 . 1 . 1 21 21 LEU CA C 13 55.546 0.03 . 1 . . . . . 21 LEU CA . 52740 1 95 . 1 . 1 21 21 LEU CB C 13 41.984 0.01 . 1 . . . . . 21 LEU CB . 52740 1 96 . 1 . 1 21 21 LEU N N 15 123.354 0.01 . 1 . . . . . 21 LEU N . 52740 1 97 . 1 . 1 22 22 ASN H H 1 8.520 0.00 . 1 . . . . . 22 ASN H . 52740 1 98 . 1 . 1 22 22 ASN C C 13 175.437 0.00 . 1 . . . . . 22 ASN C . 52740 1 99 . 1 . 1 22 22 ASN CA C 13 53.420 0.00 . 1 . . . . . 22 ASN CA . 52740 1 100 . 1 . 1 22 22 ASN CB C 13 38.942 0.00 . 1 . . . . . 22 ASN CB . 52740 1 101 . 1 . 1 22 22 ASN N N 15 118.560 0.00 . 1 . . . . . 22 ASN N . 52740 1 102 . 1 . 1 23 23 SER H H 1 8.179 0.00 . 1 . . . . . 23 SER H . 52740 1 103 . 1 . 1 23 23 SER C C 13 174.974 0.00 . 1 . . . . . 23 SER C . 52740 1 104 . 1 . 1 23 23 SER CA C 13 58.619 0.02 . 1 . . . . . 23 SER CA . 52740 1 105 . 1 . 1 23 23 SER CB C 13 63.767 0.01 . 1 . . . . . 23 SER CB . 52740 1 106 . 1 . 1 23 23 SER N N 15 116.148 0.00 . 1 . . . . . 23 SER N . 52740 1 107 . 1 . 1 24 24 SER H H 1 8.473 0.00 . 1 . . . . . 24 SER H . 52740 1 108 . 1 . 1 24 24 SER C C 13 174.477 0.00 . 1 . . . . . 24 SER C . 52740 1 109 . 1 . 1 24 24 SER CA C 13 58.824 0.03 . 1 . . . . . 24 SER CA . 52740 1 110 . 1 . 1 24 24 SER CB C 13 63.719 0.02 . 1 . . . . . 24 SER CB . 52740 1 111 . 1 . 1 24 24 SER N N 15 117.983 0.00 . 1 . . . . . 24 SER N . 52740 1 112 . 1 . 1 25 25 ASP H H 1 8.336 0.00 . 1 . . . . . 25 ASP H . 52740 1 113 . 1 . 1 25 25 ASP C C 13 176.127 0.00 . 1 . . . . . 25 ASP C . 52740 1 114 . 1 . 1 25 25 ASP CA C 13 54.528 0.00 . 1 . . . . . 25 ASP CA . 52740 1 115 . 1 . 1 25 25 ASP CB C 13 40.998 0.00 . 1 . . . . . 25 ASP CB . 52740 1 116 . 1 . 1 25 25 ASP N N 15 121.894 0.01 . 1 . . . . . 25 ASP N . 52740 1 117 . 1 . 1 26 26 ASN H H 1 8.327 0.00 . 1 . . . . . 26 ASN H . 52740 1 118 . 1 . 1 26 26 ASN C C 13 175.554 0.00 . 1 . . . . . 26 ASN C . 52740 1 119 . 1 . 1 26 26 ASN CA C 13 53.458 0.01 . 1 . . . . . 26 ASN CA . 52740 1 120 . 1 . 1 26 26 ASN CB C 13 38.680 0.01 . 1 . . . . . 26 ASN CB . 52740 1 121 . 1 . 1 26 26 ASN N N 15 118.864 0.00 . 1 . . . . . 26 ASN N . 52740 1 122 . 1 . 1 27 27 GLN H H 1 8.427 0.00 . 1 . . . . . 27 GLN H . 52740 1 123 . 1 . 1 27 27 GLN C C 13 176.398 0.00 . 1 . . . . . 27 GLN C . 52740 1 124 . 1 . 1 27 27 GLN CA C 13 56.156 0.04 . 1 . . . . . 27 GLN CA . 52740 1 125 . 1 . 1 27 27 GLN CB C 13 29.124 0.01 . 1 . . . . . 27 GLN CB . 52740 1 126 . 1 . 1 27 27 GLN N N 15 120.240 0.00 . 1 . . . . . 27 GLN N . 52740 1 127 . 1 . 1 28 28 SER H H 1 8.412 0.00 . 1 . . . . . 28 SER H . 52740 1 128 . 1 . 1 28 28 SER C C 13 175.260 0.00 . 1 . . . . . 28 SER C . 52740 1 129 . 1 . 1 28 28 SER CA C 13 58.779 0.02 . 1 . . . . . 28 SER CA . 52740 1 130 . 1 . 1 28 28 SER CB C 13 63.729 0.01 . 1 . . . . . 28 SER CB . 52740 1 131 . 1 . 1 28 28 SER N N 15 116.553 0.01 . 1 . . . . . 28 SER N . 52740 1 132 . 1 . 1 29 29 GLY H H 1 8.494 0.00 . 1 . . . . . 29 GLY H . 52740 1 133 . 1 . 1 29 29 GLY C C 13 174.755 0.00 . 1 . . . . . 29 GLY C . 52740 1 134 . 1 . 1 29 29 GLY CA C 13 45.463 0.01 . 1 . . . . . 29 GLY CA . 52740 1 135 . 1 . 1 29 29 GLY N N 15 111.020 0.00 . 1 . . . . . 29 GLY N . 52740 1 136 . 1 . 1 30 30 GLY H H 1 8.311 0.00 . 1 . . . . . 30 GLY H . 52740 1 137 . 1 . 1 30 30 GLY C C 13 174.381 0.00 . 1 . . . . . 30 GLY C . 52740 1 138 . 1 . 1 30 30 GLY CA C 13 45.204 0.03 . 1 . . . . . 30 GLY CA . 52740 1 139 . 1 . 1 30 30 GLY N N 15 108.740 0.00 . 1 . . . . . 30 GLY N . 52740 1 140 . 1 . 1 31 31 SER H H 1 8.395 0.00 . 1 . . . . . 31 SER H . 52740 1 141 . 1 . 1 31 31 SER C C 13 175.292 0.00 . 1 . . . . . 31 SER C . 52740 1 142 . 1 . 1 31 31 SER CA C 13 58.453 0.06 . 1 . . . . . 31 SER CA . 52740 1 143 . 1 . 1 31 31 SER CB C 13 63.841 0.03 . 1 . . . . . 31 SER CB . 52740 1 144 . 1 . 1 31 31 SER N N 15 115.777 0.00 . 1 . . . . . 31 SER N . 52740 1 145 . 1 . 1 32 32 THR H H 1 8.345 0.00 . 1 . . . . . 32 THR H . 52740 1 146 . 1 . 1 32 32 THR C C 13 174.685 0.00 . 1 . . . . . 32 THR C . 52740 1 147 . 1 . 1 32 32 THR CA C 13 62.262 0.02 . 1 . . . . . 32 THR CA . 52740 1 148 . 1 . 1 32 32 THR CB C 13 69.537 0.02 . 1 . . . . . 32 THR CB . 52740 1 149 . 1 . 1 32 32 THR N N 15 116.121 0.00 . 1 . . . . . 32 THR N . 52740 1 150 . 1 . 1 33 33 ALA H H 1 8.308 0.00 . 1 . . . . . 33 ALA H . 52740 1 151 . 1 . 1 33 33 ALA C C 13 177.980 0.00 . 1 . . . . . 33 ALA C . 52740 1 152 . 1 . 1 33 33 ALA CA C 13 52.862 0.01 . 1 . . . . . 33 ALA CA . 52740 1 153 . 1 . 1 33 33 ALA CB C 13 19.086 0.01 . 1 . . . . . 33 ALA CB . 52740 1 154 . 1 . 1 33 33 ALA N N 15 126.098 0.00 . 1 . . . . . 33 ALA N . 52740 1 155 . 1 . 1 34 34 SER H H 1 8.292 0.00 . 1 . . . . . 34 SER H . 52740 1 156 . 1 . 1 34 34 SER C C 13 174.868 0.00 . 1 . . . . . 34 SER C . 52740 1 157 . 1 . 1 34 34 SER CA C 13 58.572 0.02 . 1 . . . . . 34 SER CA . 52740 1 158 . 1 . 1 34 34 SER CB C 13 63.676 0.02 . 1 . . . . . 34 SER CB . 52740 1 159 . 1 . 1 34 34 SER N N 15 115.091 0.00 . 1 . . . . . 34 SER N . 52740 1 160 . 1 . 1 35 35 LYS H H 1 8.353 0.00 . 1 . . . . . 35 LYS H . 52740 1 161 . 1 . 1 35 35 LYS C C 13 177.136 0.00 . 1 . . . . . 35 LYS C . 52740 1 162 . 1 . 1 35 35 LYS CA C 13 56.640 0.03 . 1 . . . . . 35 LYS CA . 52740 1 163 . 1 . 1 35 35 LYS CB C 13 32.785 0.01 . 1 . . . . . 35 LYS CB . 52740 1 164 . 1 . 1 35 35 LYS N N 15 123.245 0.00 . 1 . . . . . 35 LYS N . 52740 1 165 . 1 . 1 36 36 GLY H H 1 8.414 0.00 . 1 . . . . . 36 GLY H . 52740 1 166 . 1 . 1 36 36 GLY C C 13 173.875 0.00 . 1 . . . . . 36 GLY C . 52740 1 167 . 1 . 1 36 36 GLY CA C 13 45.216 0.04 . 1 . . . . . 36 GLY CA . 52740 1 168 . 1 . 1 36 36 GLY N N 15 109.722 0.00 . 1 . . . . . 36 GLY N . 52740 1 169 . 1 . 1 37 37 ARG H H 1 8.137 0.00 . 1 . . . . . 37 ARG H . 52740 1 170 . 1 . 1 37 37 ARG C C 13 175.858 0.00 . 1 . . . . . 37 ARG C . 52740 1 171 . 1 . 1 37 37 ARG CA C 13 55.818 0.02 . 1 . . . . . 37 ARG CA . 52740 1 172 . 1 . 1 37 37 ARG CB C 13 30.999 0.02 . 1 . . . . . 37 ARG CB . 52740 1 173 . 1 . 1 37 37 ARG N N 15 120.663 0.02 . 1 . . . . . 37 ARG N . 52740 1 174 . 1 . 1 38 38 ALA H H 1 8.401 0.00 . 1 . . . . . 38 ALA H . 52740 1 175 . 1 . 1 38 38 ALA C C 13 177.308 0.00 . 1 . . . . . 38 ALA C . 52740 1 176 . 1 . 1 38 38 ALA CA C 13 52.176 0.01 . 1 . . . . . 38 ALA CA . 52740 1 177 . 1 . 1 38 38 ALA CB C 13 19.060 0.01 . 1 . . . . . 38 ALA CB . 52740 1 178 . 1 . 1 38 38 ALA N N 15 125.837 0.00 . 1 . . . . . 38 ALA N . 52740 1 179 . 1 . 1 39 39 ILE H H 1 8.320 0.00 . 1 . . . . . 39 ILE H . 52740 1 180 . 1 . 1 39 39 ILE CA C 13 58.336 0.00 . 1 . . . . . 39 ILE CA . 52740 1 181 . 1 . 1 39 39 ILE CB C 13 38.664 0.00 . 1 . . . . . 39 ILE CB . 52740 1 182 . 1 . 1 39 39 ILE N N 15 123.277 0.01 . 1 . . . . . 39 ILE N . 52740 1 183 . 1 . 1 41 41 PRO C C 13 177.075 0.00 . 1 . . . . . 41 PRO C . 52740 1 184 . 1 . 1 41 41 PRO CA C 13 63.676 0.00 . 1 . . . . . 41 PRO CA . 52740 1 185 . 1 . 1 41 41 PRO CB C 13 32.131 0.00 . 1 . . . . . 41 PRO CB . 52740 1 186 . 1 . 1 42 42 HIS H H 1 8.457 0.00 . 1 . . . . . 42 HIS H . 52740 1 187 . 1 . 1 42 42 HIS C C 13 174.779 0.00 . 1 . . . . . 42 HIS C . 52740 1 188 . 1 . 1 42 42 HIS CA C 13 55.975 0.01 . 1 . . . . . 42 HIS CA . 52740 1 189 . 1 . 1 42 42 HIS CB C 13 29.114 0.01 . 1 . . . . . 42 HIS CB . 52740 1 190 . 1 . 1 42 42 HIS N N 15 117.141 0.01 . 1 . . . . . 42 HIS N . 52740 1 191 . 1 . 1 43 43 LEU H H 1 8.108 0.00 . 1 . . . . . 43 LEU H . 52740 1 192 . 1 . 1 43 43 LEU C C 13 177.163 0.00 . 1 . . . . . 43 LEU C . 52740 1 193 . 1 . 1 43 43 LEU CA C 13 54.841 0.02 . 1 . . . . . 43 LEU CA . 52740 1 194 . 1 . 1 43 43 LEU CB C 13 42.298 0.01 . 1 . . . . . 43 LEU CB . 52740 1 195 . 1 . 1 43 43 LEU N N 15 122.920 0.01 . 1 . . . . . 43 LEU N . 52740 1 196 . 1 . 1 44 44 ARG H H 1 8.199 0.00 . 1 . . . . . 44 ARG H . 52740 1 197 . 1 . 1 44 44 ARG C C 13 176.038 0.00 . 1 . . . . . 44 ARG C . 52740 1 198 . 1 . 1 44 44 ARG CA C 13 56.406 0.02 . 1 . . . . . 44 ARG CA . 52740 1 199 . 1 . 1 44 44 ARG CB C 13 30.713 0.02 . 1 . . . . . 44 ARG CB . 52740 1 200 . 1 . 1 44 44 ARG N N 15 121.607 0.01 . 1 . . . . . 44 ARG N . 52740 1 201 . 1 . 1 45 45 ASN H H 1 8.507 0.00 . 1 . . . . . 45 ASN H . 52740 1 202 . 1 . 1 45 45 ASN C C 13 175.384 0.00 . 1 . . . . . 45 ASN C . 52740 1 203 . 1 . 1 45 45 ASN CA C 13 53.314 0.03 . 1 . . . . . 45 ASN CA . 52740 1 204 . 1 . 1 45 45 ASN CB C 13 38.679 0.01 . 1 . . . . . 45 ASN CB . 52740 1 205 . 1 . 1 45 45 ASN N N 15 119.704 0.01 . 1 . . . . . 45 ASN N . 52740 1 206 . 1 . 1 46 46 ARG H H 1 8.412 0.00 . 1 . . . . . 46 ARG H . 52740 1 207 . 1 . 1 46 46 ARG C C 13 176.466 0.00 . 1 . . . . . 46 ARG C . 52740 1 208 . 1 . 1 46 46 ARG CA C 13 56.594 0.00 . 1 . . . . . 46 ARG CA . 52740 1 209 . 1 . 1 46 46 ARG CB C 13 30.550 0.00 . 1 . . . . . 46 ARG CB . 52740 1 210 . 1 . 1 46 46 ARG N N 15 121.787 0.01 . 1 . . . . . 46 ARG N . 52740 1 211 . 1 . 1 47 47 GLU H H 1 8.456 0.00 . 1 . . . . . 47 GLU H . 52740 1 212 . 1 . 1 47 47 GLU C C 13 176.445 0.00 . 1 . . . . . 47 GLU C . 52740 1 213 . 1 . 1 47 47 GLU CA C 13 56.752 0.03 . 1 . . . . . 47 GLU CA . 52740 1 214 . 1 . 1 47 47 GLU CB C 13 30.004 0.03 . 1 . . . . . 47 GLU CB . 52740 1 215 . 1 . 1 47 47 GLU N N 15 121.440 0.00 . 1 . . . . . 47 GLU N . 52740 1 216 . 1 . 1 48 48 ALA H H 1 8.316 0.00 . 1 . . . . . 48 ALA H . 52740 1 217 . 1 . 1 48 48 ALA C C 13 178.035 0.00 . 1 . . . . . 48 ALA C . 52740 1 218 . 1 . 1 48 48 ALA CA C 13 52.731 0.02 . 1 . . . . . 48 ALA CA . 52740 1 219 . 1 . 1 48 48 ALA CB C 13 19.146 0.01 . 1 . . . . . 48 ALA CB . 52740 1 220 . 1 . 1 48 48 ALA N N 15 124.575 0.00 . 1 . . . . . 48 ALA N . 52740 1 221 . 1 . 1 49 49 THR H H 1 8.085 0.00 . 1 . . . . . 49 THR H . 52740 1 222 . 1 . 1 49 49 THR C C 13 174.641 0.00 . 1 . . . . . 49 THR C . 52740 1 223 . 1 . 1 49 49 THR CA C 13 61.998 0.03 . 1 . . . . . 49 THR CA . 52740 1 224 . 1 . 1 49 49 THR CB C 13 69.785 0.03 . 1 . . . . . 49 THR CB . 52740 1 225 . 1 . 1 49 49 THR N N 15 113.258 0.00 . 1 . . . . . 49 THR N . 52740 1 226 . 1 . 1 50 50 LYS H H 1 8.331 0.00 . 1 . . . . . 50 LYS H . 52740 1 227 . 1 . 1 50 50 LYS C C 13 176.937 0.00 . 1 . . . . . 50 LYS C . 52740 1 228 . 1 . 1 50 50 LYS CA C 13 56.754 0.01 . 1 . . . . . 50 LYS CA . 52740 1 229 . 1 . 1 50 50 LYS CB C 13 32.850 0.02 . 1 . . . . . 50 LYS CB . 52740 1 230 . 1 . 1 50 50 LYS N N 15 123.809 0.01 . 1 . . . . . 50 LYS N . 52740 1 231 . 1 . 1 51 51 GLY H H 1 8.444 0.00 . 1 . . . . . 51 GLY H . 52740 1 232 . 1 . 1 51 51 GLY C C 13 173.726 0.00 . 1 . . . . . 51 GLY C . 52740 1 233 . 1 . 1 51 51 GLY CA C 13 45.116 0.02 . 1 . . . . . 51 GLY CA . 52740 1 234 . 1 . 1 51 51 GLY N N 15 110.105 0.01 . 1 . . . . . 51 GLY N . 52740 1 235 . 1 . 1 52 52 PHE H H 1 8.059 0.00 . 1 . . . . . 52 PHE H . 52740 1 236 . 1 . 1 52 52 PHE C C 13 175.333 0.00 . 1 . . . . . 52 PHE C . 52740 1 237 . 1 . 1 52 52 PHE CA C 13 58.261 0.01 . 1 . . . . . 52 PHE CA . 52740 1 238 . 1 . 1 52 52 PHE CB C 13 39.804 0.02 . 1 . . . . . 52 PHE CB . 52740 1 239 . 1 . 1 52 52 PHE N N 15 120.163 0.01 . 1 . . . . . 52 PHE N . 52740 1 240 . 1 . 1 53 53 TYR H H 1 8.208 0.00 . 1 . . . . . 53 TYR H . 52740 1 241 . 1 . 1 53 53 TYR C C 13 175.020 0.00 . 1 . . . . . 53 TYR C . 52740 1 242 . 1 . 1 53 53 TYR CA C 13 57.716 0.06 . 1 . . . . . 53 TYR CA . 52740 1 243 . 1 . 1 53 53 TYR CB C 13 38.830 0.03 . 1 . . . . . 53 TYR CB . 52740 1 244 . 1 . 1 53 53 TYR N N 15 120.820 0.01 . 1 . . . . . 53 TYR N . 52740 1 245 . 1 . 1 54 54 ASP H H 1 8.154 0.00 . 1 . . . . . 54 ASP H . 52740 1 246 . 1 . 1 54 54 ASP C C 13 176.180 0.00 . 1 . . . . . 54 ASP C . 52740 1 247 . 1 . 1 54 54 ASP CA C 13 54.009 0.05 . 1 . . . . . 54 ASP CA . 52740 1 248 . 1 . 1 54 54 ASP CB C 13 41.336 0.03 . 1 . . . . . 54 ASP CB . 52740 1 249 . 1 . 1 54 54 ASP N N 15 122.556 0.00 . 1 . . . . . 54 ASP N . 52740 1 250 . 1 . 1 55 55 LYS H H 1 8.215 0.00 . 1 . . . . . 55 LYS H . 52740 1 251 . 1 . 1 55 55 LYS C C 13 176.537 0.00 . 1 . . . . . 55 LYS C . 52740 1 252 . 1 . 1 55 55 LYS CA C 13 57.016 0.00 . 1 . . . . . 55 LYS CA . 52740 1 253 . 1 . 1 55 55 LYS CB C 13 32.748 0.05 . 1 . . . . . 55 LYS CB . 52740 1 254 . 1 . 1 55 55 LYS N N 15 121.908 0.07 . 1 . . . . . 55 LYS N . 52740 1 255 . 1 . 1 56 56 ASP H H 1 8.338 0.00 . 1 . . . . . 56 ASP H . 52740 1 256 . 1 . 1 56 56 ASP C C 13 176.562 0.00 . 1 . . . . . 56 ASP C . 52740 1 257 . 1 . 1 56 56 ASP CA C 13 54.603 0.01 . 1 . . . . . 56 ASP CA . 52740 1 258 . 1 . 1 56 56 ASP CB C 13 41.151 0.02 . 1 . . . . . 56 ASP CB . 52740 1 259 . 1 . 1 56 56 ASP N N 15 120.384 0.01 . 1 . . . . . 56 ASP N . 52740 1 260 . 1 . 1 57 57 SER H H 1 8.189 0.00 . 1 . . . . . 57 SER H . 52740 1 261 . 1 . 1 57 57 SER C C 13 175.081 0.00 . 1 . . . . . 57 SER C . 52740 1 262 . 1 . 1 57 57 SER CA C 13 58.670 0.02 . 1 . . . . . 57 SER CA . 52740 1 263 . 1 . 1 57 57 SER CB C 13 63.677 0.01 . 1 . . . . . 57 SER CB . 52740 1 264 . 1 . 1 57 57 SER N N 15 116.527 0.01 . 1 . . . . . 57 SER N . 52740 1 265 . 1 . 1 58 58 SER H H 1 8.435 0.00 . 1 . . . . . 58 SER H . 52740 1 266 . 1 . 1 58 58 SER C C 13 175.196 0.00 . 1 . . . . . 58 SER C . 52740 1 267 . 1 . 1 58 58 SER CA C 13 59.260 0.03 . 1 . . . . . 58 SER CA . 52740 1 268 . 1 . 1 58 58 SER CB C 13 63.675 0.02 . 1 . . . . . 58 SER CB . 52740 1 269 . 1 . 1 58 58 SER N N 15 118.007 0.00 . 1 . . . . . 58 SER N . 52740 1 270 . 1 . 1 59 59 GLY H H 1 8.357 0.00 . 1 . . . . . 59 GLY H . 52740 1 271 . 1 . 1 59 59 GLY C C 13 174.025 0.00 . 1 . . . . . 59 GLY C . 52740 1 272 . 1 . 1 59 59 GLY CA C 13 45.346 0.03 . 1 . . . . . 59 GLY CA . 52740 1 273 . 1 . 1 59 59 GLY N N 15 110.379 0.00 . 1 . . . . . 59 GLY N . 52740 1 274 . 1 . 1 60 60 TRP H H 1 8.039 0.00 . 1 . . . . . 60 TRP H . 52740 1 275 . 1 . 1 60 60 TRP C C 13 176.464 0.00 . 1 . . . . . 60 TRP C . 52740 1 276 . 1 . 1 60 60 TRP CA C 13 57.760 0.01 . 1 . . . . . 60 TRP CA . 52740 1 277 . 1 . 1 60 60 TRP CB C 13 29.668 0.01 . 1 . . . . . 60 TRP CB . 52740 1 278 . 1 . 1 60 60 TRP N N 15 121.297 0.03 . 1 . . . . . 60 TRP N . 52740 1 279 . 1 . 1 61 61 SER H H 1 8.068 0.00 . 1 . . . . . 61 SER H . 52740 1 280 . 1 . 1 61 61 SER C C 13 174.212 0.00 . 1 . . . . . 61 SER C . 52740 1 281 . 1 . 1 61 61 SER CA C 13 58.135 0.00 . 1 . . . . . 61 SER CA . 52740 1 282 . 1 . 1 61 61 SER CB C 13 63.933 0.00 . 1 . . . . . 61 SER CB . 52740 1 283 . 1 . 1 61 61 SER N N 15 117.504 0.00 . 1 . . . . . 61 SER N . 52740 1 284 . 1 . 1 62 62 SER H H 1 8.274 0.00 . 1 . . . . . 62 SER H . 52740 1 285 . 1 . 1 62 62 SER C C 13 174.846 0.00 . 1 . . . . . 62 SER C . 52740 1 286 . 1 . 1 62 62 SER CA C 13 58.488 0.00 . 1 . . . . . 62 SER CA . 52740 1 287 . 1 . 1 62 62 SER CB C 13 63.822 0.00 . 1 . . . . . 62 SER CB . 52740 1 288 . 1 . 1 62 62 SER N N 15 117.621 0.00 . 1 . . . . . 62 SER N . 52740 1 289 . 1 . 1 63 63 SER H H 1 8.312 0.00 . 1 . . . . . 63 SER H . 52740 1 290 . 1 . 1 63 63 SER C C 13 174.881 0.00 . 1 . . . . . 63 SER C . 52740 1 291 . 1 . 1 63 63 SER CA C 13 58.829 0.02 . 1 . . . . . 63 SER CA . 52740 1 292 . 1 . 1 63 63 SER CB C 13 63.597 0.04 . 1 . . . . . 63 SER CB . 52740 1 293 . 1 . 1 63 63 SER N N 15 117.784 0.01 . 1 . . . . . 63 SER N . 52740 1 294 . 1 . 1 64 64 LYS H H 1 8.247 0.00 . 1 . . . . . 64 LYS H . 52740 1 295 . 1 . 1 64 64 LYS C C 13 176.609 0.00 . 1 . . . . . 64 LYS C . 52740 1 296 . 1 . 1 64 64 LYS CA C 13 56.774 0.02 . 1 . . . . . 64 LYS CA . 52740 1 297 . 1 . 1 64 64 LYS CB C 13 32.812 0.18 . 1 . . . . . 64 LYS CB . 52740 1 298 . 1 . 1 64 64 LYS N N 15 122.872 0.00 . 1 . . . . . 64 LYS N . 52740 1 299 . 1 . 1 65 65 ASP H H 1 8.202 0.00 . 1 . . . . . 65 ASP H . 52740 1 300 . 1 . 1 65 65 ASP C C 13 176.499 0.00 . 1 . . . . . 65 ASP C . 52740 1 301 . 1 . 1 65 65 ASP CA C 13 54.668 0.04 . 1 . . . . . 65 ASP CA . 52740 1 302 . 1 . 1 65 65 ASP CB C 13 41.127 0.07 . 1 . . . . . 65 ASP CB . 52740 1 303 . 1 . 1 65 65 ASP N N 15 120.702 0.05 . 1 . . . . . 65 ASP N . 52740 1 304 . 1 . 1 66 66 LYS H H 1 8.185 0.00 . 1 . . . . . 66 LYS H . 52740 1 305 . 1 . 1 66 66 LYS C C 13 176.760 0.00 . 1 . . . . . 66 LYS C . 52740 1 306 . 1 . 1 66 66 LYS CA C 13 57.081 0.03 . 1 . . . . . 66 LYS CA . 52740 1 307 . 1 . 1 66 66 LYS CB C 13 32.669 0.01 . 1 . . . . . 66 LYS CB . 52740 1 308 . 1 . 1 66 66 LYS N N 15 121.340 0.00 . 1 . . . . . 66 LYS N . 52740 1 309 . 1 . 1 67 67 ASP H H 1 8.309 0.00 . 1 . . . . . 67 ASP H . 52740 1 310 . 1 . 1 67 67 ASP C C 13 176.317 0.00 . 1 . . . . . 67 ASP C . 52740 1 311 . 1 . 1 67 67 ASP CA C 13 54.614 0.03 . 1 . . . . . 67 ASP CA . 52740 1 312 . 1 . 1 67 67 ASP CB C 13 41.052 0.00 . 1 . . . . . 67 ASP CB . 52740 1 313 . 1 . 1 67 67 ASP N N 15 120.489 0.01 . 1 . . . . . 67 ASP N . 52740 1 314 . 1 . 1 68 68 ALA H H 1 8.066 0.00 . 1 . . . . . 68 ALA H . 52740 1 315 . 1 . 1 68 68 ALA C C 13 177.808 0.00 . 1 . . . . . 68 ALA C . 52740 1 316 . 1 . 1 68 68 ALA CA C 13 53.098 0.01 . 1 . . . . . 68 ALA CA . 52740 1 317 . 1 . 1 68 68 ALA CB C 13 18.979 0.02 . 1 . . . . . 68 ALA CB . 52740 1 318 . 1 . 1 68 68 ALA N N 15 123.615 0.00 . 1 . . . . . 68 ALA N . 52740 1 319 . 1 . 1 69 69 TYR H H 1 8.147 0.00 . 1 . . . . . 69 TYR H . 52740 1 320 . 1 . 1 69 69 TYR C C 13 176.190 0.00 . 1 . . . . . 69 TYR C . 52740 1 321 . 1 . 1 69 69 TYR CA C 13 58.252 0.04 . 1 . . . . . 69 TYR CA . 52740 1 322 . 1 . 1 69 69 TYR CB C 13 38.508 0.04 . 1 . . . . . 69 TYR CB . 52740 1 323 . 1 . 1 69 69 TYR N N 15 118.480 0.01 . 1 . . . . . 69 TYR N . 52740 1 324 . 1 . 1 70 70 SER H H 1 8.039 0.00 . 1 . . . . . 70 SER H . 52740 1 325 . 1 . 1 70 70 SER C C 13 174.580 0.00 . 1 . . . . . 70 SER C . 52740 1 326 . 1 . 1 70 70 SER CA C 13 58.347 0.00 . 1 . . . . . 70 SER CA . 52740 1 327 . 1 . 1 70 70 SER CB C 13 63.917 0.01 . 1 . . . . . 70 SER CB . 52740 1 328 . 1 . 1 70 70 SER N N 15 116.741 0.00 . 1 . . . . . 70 SER N . 52740 1 329 . 1 . 1 71 71 SER H H 1 8.284 0.00 . 1 . . . . . 71 SER H . 52740 1 330 . 1 . 1 71 71 SER C C 13 174.437 0.00 . 1 . . . . . 71 SER C . 52740 1 331 . 1 . 1 71 71 SER CA C 13 58.652 0.00 . 1 . . . . . 71 SER CA . 52740 1 332 . 1 . 1 71 71 SER CB C 13 63.699 0.04 . 1 . . . . . 71 SER CB . 52740 1 333 . 1 . 1 71 71 SER N N 15 117.774 0.04 . 1 . . . . . 71 SER N . 52740 1 334 . 1 . 1 72 72 PHE H H 1 8.222 0.00 . 1 . . . . . 72 PHE H . 52740 1 335 . 1 . 1 72 72 PHE C C 13 176.470 0.00 . 1 . . . . . 72 PHE C . 52740 1 336 . 1 . 1 72 72 PHE CA C 13 58.386 0.01 . 1 . . . . . 72 PHE CA . 52740 1 337 . 1 . 1 72 72 PHE CB C 13 39.353 0.01 . 1 . . . . . 72 PHE CB . 52740 1 338 . 1 . 1 72 72 PHE N N 15 121.818 0.00 . 1 . . . . . 72 PHE N . 52740 1 339 . 1 . 1 73 73 GLY H H 1 8.320 0.00 . 1 . . . . . 73 GLY H . 52740 1 340 . 1 . 1 73 73 GLY C C 13 174.151 0.00 . 1 . . . . . 73 GLY C . 52740 1 341 . 1 . 1 73 73 GLY CA C 13 45.335 0.00 . 1 . . . . . 73 GLY CA . 52740 1 342 . 1 . 1 73 73 GLY N N 15 110.290 0.00 . 1 . . . . . 73 GLY N . 52740 1 343 . 1 . 1 74 74 SER H H 1 8.219 0.00 . 1 . . . . . 74 SER H . 52740 1 344 . 1 . 1 74 74 SER C C 13 174.855 0.00 . 1 . . . . . 74 SER C . 52740 1 345 . 1 . 1 74 74 SER CA C 13 58.491 0.05 . 1 . . . . . 74 SER CA . 52740 1 346 . 1 . 1 74 74 SER CB C 13 63.869 0.02 . 1 . . . . . 74 SER CB . 52740 1 347 . 1 . 1 74 74 SER N N 15 115.760 0.00 . 1 . . . . . 74 SER N . 52740 1 348 . 1 . 1 75 75 ARG H H 1 8.462 0.00 . 1 . . . . . 75 ARG H . 52740 1 349 . 1 . 1 75 75 ARG C C 13 176.637 0.00 . 1 . . . . . 75 ARG C . 52740 1 350 . 1 . 1 75 75 ARG CA C 13 56.353 0.09 . 1 . . . . . 75 ARG CA . 52740 1 351 . 1 . 1 75 75 ARG CB C 13 30.674 0.05 . 1 . . . . . 75 ARG CB . 52740 1 352 . 1 . 1 75 75 ARG N N 15 122.760 0.01 . 1 . . . . . 75 ARG N . 52740 1 353 . 1 . 1 76 76 SER H H 1 8.394 0.00 . 1 . . . . . 76 SER H . 52740 1 354 . 1 . 1 76 76 SER C C 13 174.386 0.00 . 1 . . . . . 76 SER C . 52740 1 355 . 1 . 1 76 76 SER CA C 13 58.593 0.06 . 1 . . . . . 76 SER CA . 52740 1 356 . 1 . 1 76 76 SER CB C 13 63.793 0.00 . 1 . . . . . 76 SER CB . 52740 1 357 . 1 . 1 76 76 SER N N 15 116.637 0.00 . 1 . . . . . 76 SER N . 52740 1 358 . 1 . 1 77 77 ASP H H 1 8.359 0.00 . 1 . . . . . 77 ASP H . 52740 1 359 . 1 . 1 77 77 ASP C C 13 176.545 0.00 . 1 . . . . . 77 ASP C . 52740 1 360 . 1 . 1 77 77 ASP CA C 13 54.198 0.02 . 1 . . . . . 77 ASP CA . 52740 1 361 . 1 . 1 77 77 ASP CB C 13 41.155 0.01 . 1 . . . . . 77 ASP CB . 52740 1 362 . 1 . 1 77 77 ASP N N 15 122.346 0.01 . 1 . . . . . 77 ASP N . 52740 1 363 . 1 . 1 78 78 SER H H 1 8.320 0.00 . 1 . . . . . 78 SER H . 52740 1 364 . 1 . 1 78 78 SER C C 13 174.990 0.00 . 1 . . . . . 78 SER C . 52740 1 365 . 1 . 1 78 78 SER CA C 13 58.685 0.15 . 1 . . . . . 78 SER CA . 52740 1 366 . 1 . 1 78 78 SER CB C 13 63.676 0.09 . 1 . . . . . 78 SER CB . 52740 1 367 . 1 . 1 78 78 SER N N 15 116.523 0.01 . 1 . . . . . 78 SER N . 52740 1 368 . 1 . 1 79 79 ARG H H 1 8.347 0.00 . 1 . . . . . 79 ARG H . 52740 1 369 . 1 . 1 79 79 ARG C C 13 177.000 0.00 . 1 . . . . . 79 ARG C . 52740 1 370 . 1 . 1 79 79 ARG CA C 13 56.632 0.04 . 1 . . . . . 79 ARG CA . 52740 1 371 . 1 . 1 79 79 ARG CB C 13 30.489 0.04 . 1 . . . . . 79 ARG CB . 52740 1 372 . 1 . 1 79 79 ARG N N 15 122.495 0.01 . 1 . . . . . 79 ARG N . 52740 1 373 . 1 . 1 80 80 GLY H H 1 8.389 0.00 . 1 . . . . . 80 GLY H . 52740 1 374 . 1 . 1 80 80 GLY C C 13 174.212 0.00 . 1 . . . . . 80 GLY C . 52740 1 375 . 1 . 1 80 80 GLY CA C 13 45.315 0.01 . 1 . . . . . 80 GLY CA . 52740 1 376 . 1 . 1 80 80 GLY N N 15 109.314 0.01 . 1 . . . . . 80 GLY N . 52740 1 377 . 1 . 1 81 81 LYS H H 1 8.207 0.00 . 1 . . . . . 81 LYS H . 52740 1 378 . 1 . 1 81 81 LYS C C 13 176.897 0.00 . 1 . . . . . 81 LYS C . 52740 1 379 . 1 . 1 81 81 LYS CA C 13 56.298 0.14 . 1 . . . . . 81 LYS CA . 52740 1 380 . 1 . 1 81 81 LYS CB C 13 33.094 0.01 . 1 . . . . . 81 LYS CB . 52740 1 381 . 1 . 1 81 81 LYS N N 15 120.886 0.01 . 1 . . . . . 81 LYS N . 52740 1 382 . 1 . 1 82 82 SER H H 1 8.436 0.00 . 1 . . . . . 82 SER H . 52740 1 383 . 1 . 1 82 82 SER C C 13 174.690 0.00 . 1 . . . . . 82 SER C . 52740 1 384 . 1 . 1 82 82 SER CA C 13 58.495 0.03 . 1 . . . . . 82 SER CA . 52740 1 385 . 1 . 1 82 82 SER CB C 13 63.814 0.03 . 1 . . . . . 82 SER CB . 52740 1 386 . 1 . 1 82 82 SER N N 15 116.854 0.00 . 1 . . . . . 82 SER N . 52740 1 387 . 1 . 1 83 83 SER H H 1 8.348 0.00 . 1 . . . . . 83 SER H . 52740 1 388 . 1 . 1 83 83 SER C C 13 174.089 0.00 . 1 . . . . . 83 SER C . 52740 1 389 . 1 . 1 83 83 SER CA C 13 58.519 0.03 . 1 . . . . . 83 SER CA . 52740 1 390 . 1 . 1 83 83 SER CB C 13 63.698 0.05 . 1 . . . . . 83 SER CB . 52740 1 391 . 1 . 1 83 83 SER N N 15 117.952 0.00 . 1 . . . . . 83 SER N . 52740 1 392 . 1 . 1 84 84 PHE H H 1 8.190 0.01 . 1 . . . . . 84 PHE H . 52740 1 393 . 1 . 1 84 84 PHE C C 13 175.443 0.00 . 1 . . . . . 84 PHE C . 52740 1 394 . 1 . 1 84 84 PHE CA C 13 58.242 0.02 . 1 . . . . . 84 PHE CA . 52740 1 395 . 1 . 1 84 84 PHE CB C 13 39.605 0.01 . 1 . . . . . 84 PHE CB . 52740 1 396 . 1 . 1 84 84 PHE N N 15 121.885 0.02 . 1 . . . . . 84 PHE N . 52740 1 397 . 1 . 1 85 85 PHE H H 1 8.144 0.00 . 1 . . . . . 85 PHE H . 52740 1 398 . 1 . 1 85 85 PHE C C 13 175.567 0.00 . 1 . . . . . 85 PHE C . 52740 1 399 . 1 . 1 85 85 PHE CA C 13 57.868 0.02 . 1 . . . . . 85 PHE CA . 52740 1 400 . 1 . 1 85 85 PHE CB C 13 39.718 0.04 . 1 . . . . . 85 PHE CB . 52740 1 401 . 1 . 1 85 85 PHE N N 15 120.916 0.01 . 1 . . . . . 85 PHE N . 52740 1 402 . 1 . 1 86 86 SER H H 1 8.148 0.00 . 1 . . . . . 86 SER H . 52740 1 403 . 1 . 1 86 86 SER C C 13 174.069 0.00 . 1 . . . . . 86 SER C . 52740 1 404 . 1 . 1 86 86 SER CA C 13 58.412 0.13 . 1 . . . . . 86 SER CA . 52740 1 405 . 1 . 1 86 86 SER CB C 13 63.832 0.07 . 1 . . . . . 86 SER CB . 52740 1 406 . 1 . 1 86 86 SER N N 15 117.086 0.01 . 1 . . . . . 86 SER N . 52740 1 407 . 1 . 1 87 87 ASP H H 1 8.360 0.00 . 1 . . . . . 87 ASP H . 52740 1 408 . 1 . 1 87 87 ASP C C 13 176.421 0.00 . 1 . . . . . 87 ASP C . 52740 1 409 . 1 . 1 87 87 ASP CA C 13 54.325 0.04 . 1 . . . . . 87 ASP CA . 52740 1 410 . 1 . 1 87 87 ASP CB C 13 41.030 0.03 . 1 . . . . . 87 ASP CB . 52740 1 411 . 1 . 1 87 87 ASP N N 15 122.613 0.00 . 1 . . . . . 87 ASP N . 52740 1 412 . 1 . 1 88 88 ARG H H 1 8.310 0.00 . 1 . . . . . 88 ARG H . 52740 1 413 . 1 . 1 88 88 ARG C C 13 177.030 0.00 . 1 . . . . . 88 ARG C . 52740 1 414 . 1 . 1 88 88 ARG CA C 13 56.440 0.03 . 1 . . . . . 88 ARG CA . 52740 1 415 . 1 . 1 88 88 ARG CB C 13 30.404 0.05 . 1 . . . . . 88 ARG CB . 52740 1 416 . 1 . 1 88 88 ARG N N 15 121.230 0.01 . 1 . . . . . 88 ARG N . 52740 1 417 . 1 . 1 89 89 GLY H H 1 8.474 0.00 . 1 . . . . . 89 GLY H . 52740 1 418 . 1 . 1 89 89 GLY C C 13 174.533 0.00 . 1 . . . . . 89 GLY C . 52740 1 419 . 1 . 1 89 89 GLY CA C 13 45.355 0.01 . 1 . . . . . 89 GLY CA . 52740 1 420 . 1 . 1 89 89 GLY N N 15 109.511 0.01 . 1 . . . . . 89 GLY N . 52740 1 421 . 1 . 1 90 90 SER H H 1 8.349 0.00 . 1 . . . . . 90 SER H . 52740 1 422 . 1 . 1 90 90 SER C C 13 175.356 0.00 . 1 . . . . . 90 SER C . 52740 1 423 . 1 . 1 90 90 SER CA C 13 58.766 0.06 . 1 . . . . . 90 SER CA . 52740 1 424 . 1 . 1 90 90 SER CB C 13 63.771 0.02 . 1 . . . . . 90 SER CB . 52740 1 425 . 1 . 1 90 90 SER N N 15 115.963 0.00 . 1 . . . . . 90 SER N . 52740 1 426 . 1 . 1 91 91 GLY H H 1 8.582 0.00 . 1 . . . . . 91 GLY H . 52740 1 427 . 1 . 1 91 91 GLY C C 13 174.406 0.00 . 1 . . . . . 91 GLY C . 52740 1 428 . 1 . 1 91 91 GLY CA C 13 45.411 0.03 . 1 . . . . . 91 GLY CA . 52740 1 429 . 1 . 1 91 91 GLY N N 15 111.133 0.00 . 1 . . . . . 91 GLY N . 52740 1 430 . 1 . 1 92 92 SER H H 1 8.272 0.00 . 1 . . . . . 92 SER H . 52740 1 431 . 1 . 1 92 92 SER C C 13 174.849 0.00 . 1 . . . . . 92 SER C . 52740 1 432 . 1 . 1 92 92 SER CA C 13 58.603 0.08 . 1 . . . . . 92 SER CA . 52740 1 433 . 1 . 1 92 92 SER CB C 13 63.856 0.06 . 1 . . . . . 92 SER CB . 52740 1 434 . 1 . 1 92 92 SER N N 15 115.858 0.01 . 1 . . . . . 92 SER N . 52740 1 435 . 1 . 1 93 93 ARG H H 1 8.469 0.01 . 1 . . . . . 93 ARG H . 52740 1 436 . 1 . 1 93 93 ARG C C 13 176.843 0.00 . 1 . . . . . 93 ARG C . 52740 1 437 . 1 . 1 93 93 ARG CA C 13 56.429 0.05 . 1 . . . . . 93 ARG CA . 52740 1 438 . 1 . 1 93 93 ARG CB C 13 30.553 0.01 . 1 . . . . . 93 ARG CB . 52740 1 439 . 1 . 1 93 93 ARG N N 15 122.649 0.00 . 1 . . . . . 93 ARG N . 52740 1 440 . 1 . 1 94 94 GLY H H 1 8.437 0.00 . 1 . . . . . 94 GLY H . 52740 1 441 . 1 . 1 94 94 GLY C C 13 173.991 0.00 . 1 . . . . . 94 GLY C . 52740 1 442 . 1 . 1 94 94 GLY CA C 13 45.230 0.00 . 1 . . . . . 94 GLY CA . 52740 1 443 . 1 . 1 94 94 GLY N N 15 109.739 0.00 . 1 . . . . . 94 GLY N . 52740 1 444 . 1 . 1 95 95 ARG H H 1 8.257 0.00 . 1 . . . . . 95 ARG H . 52740 1 445 . 1 . 1 95 95 ARG C C 13 176.435 0.00 . 1 . . . . . 95 ARG C . 52740 1 446 . 1 . 1 95 95 ARG CA C 13 56.026 0.00 . 1 . . . . . 95 ARG CA . 52740 1 447 . 1 . 1 95 95 ARG CB C 13 31.069 0.02 . 1 . . . . . 95 ARG CB . 52740 1 448 . 1 . 1 95 95 ARG N N 15 120.778 0.00 . 1 . . . . . 95 ARG N . 52740 1 449 . 1 . 1 96 96 ALA H H 1 8.513 0.00 . 1 . . . . . 96 ALA H . 52740 1 450 . 1 . 1 96 96 ALA C C 13 177.580 0.00 . 1 . . . . . 96 ALA C . 52740 1 451 . 1 . 1 96 96 ALA CA C 13 52.887 0.03 . 1 . . . . . 96 ALA CA . 52740 1 452 . 1 . 1 96 96 ALA CB C 13 19.081 0.01 . 1 . . . . . 96 ALA CB . 52740 1 453 . 1 . 1 96 96 ALA N N 15 125.274 0.00 . 1 . . . . . 96 ALA N . 52740 1 454 . 1 . 1 97 97 ASP H H 1 8.306 0.00 . 1 . . . . . 97 ASP H . 52740 1 455 . 1 . 1 97 97 ASP C C 13 176.057 0.00 . 1 . . . . . 97 ASP C . 52740 1 456 . 1 . 1 97 97 ASP CA C 13 54.129 0.00 . 1 . . . . . 97 ASP CA . 52740 1 457 . 1 . 1 97 97 ASP CB C 13 40.993 0.01 . 1 . . . . . 97 ASP CB . 52740 1 458 . 1 . 1 97 97 ASP N N 15 118.810 0.01 . 1 . . . . . 97 ASP N . 52740 1 459 . 1 . 1 98 98 ASP H H 1 8.206 0.00 . 1 . . . . . 98 ASP H . 52740 1 460 . 1 . 1 98 98 ASP C C 13 176.689 0.00 . 1 . . . . . 98 ASP C . 52740 1 461 . 1 . 1 98 98 ASP CA C 13 54.465 0.01 . 1 . . . . . 98 ASP CA . 52740 1 462 . 1 . 1 98 98 ASP CB C 13 41.005 0.01 . 1 . . . . . 98 ASP CB . 52740 1 463 . 1 . 1 98 98 ASP N N 15 120.942 0.00 . 1 . . . . . 98 ASP N . 52740 1 464 . 1 . 1 99 99 ARG H H 1 8.325 0.00 . 1 . . . . . 99 ARG H . 52740 1 465 . 1 . 1 99 99 ARG C C 13 177.109 0.00 . 1 . . . . . 99 ARG C . 52740 1 466 . 1 . 1 99 99 ARG CA C 13 56.665 0.01 . 1 . . . . . 99 ARG CA . 52740 1 467 . 1 . 1 99 99 ARG CB C 13 30.245 0.01 . 1 . . . . . 99 ARG CB . 52740 1 468 . 1 . 1 99 99 ARG N N 15 120.951 0.01 . 1 . . . . . 99 ARG N . 52740 1 469 . 1 . 1 100 100 GLY H H 1 8.488 0.00 . 1 . . . . . 100 GLY H . 52740 1 470 . 1 . 1 100 100 GLY C C 13 174.286 0.00 . 1 . . . . . 100 GLY C . 52740 1 471 . 1 . 1 100 100 GLY CA C 13 45.345 0.06 . 1 . . . . . 100 GLY CA . 52740 1 472 . 1 . 1 100 100 GLY N N 15 109.114 0.01 . 1 . . . . . 100 GLY N . 52740 1 473 . 1 . 1 101 101 ARG H H 1 8.122 0.00 . 1 . . . . . 101 ARG H . 52740 1 474 . 1 . 1 101 101 ARG C C 13 176.675 0.00 . 1 . . . . . 101 ARG C . 52740 1 475 . 1 . 1 101 101 ARG CA C 13 56.243 0.02 . 1 . . . . . 101 ARG CA . 52740 1 476 . 1 . 1 101 101 ARG CB C 13 30.947 0.02 . 1 . . . . . 101 ARG CB . 52740 1 477 . 1 . 1 101 101 ARG N N 15 120.542 0.01 . 1 . . . . . 101 ARG N . 52740 1 478 . 1 . 1 102 102 SER H H 1 8.562 0.00 . 1 . . . . . 102 SER H . 52740 1 479 . 1 . 1 102 102 SER C C 13 174.330 0.00 . 1 . . . . . 102 SER C . 52740 1 480 . 1 . 1 102 102 SER CA C 13 58.515 0.01 . 1 . . . . . 102 SER CA . 52740 1 481 . 1 . 1 102 102 SER CB C 13 63.847 0.02 . 1 . . . . . 102 SER CB . 52740 1 482 . 1 . 1 102 102 SER N N 15 117.129 0.00 . 1 . . . . . 102 SER N . 52740 1 483 . 1 . 1 103 103 ASP H H 1 8.402 0.00 . 1 . . . . . 103 ASP H . 52740 1 484 . 1 . 1 103 103 ASP C C 13 175.976 0.00 . 1 . . . . . 103 ASP C . 52740 1 485 . 1 . 1 103 103 ASP CA C 13 54.339 0.00 . 1 . . . . . 103 ASP CA . 52740 1 486 . 1 . 1 103 103 ASP CB C 13 40.782 0.00 . 1 . . . . . 103 ASP CB . 52740 1 487 . 1 . 1 103 103 ASP N N 15 121.839 0.01 . 1 . . . . . 103 ASP N . 52740 1 488 . 1 . 1 104 104 TYR H H 1 8.073 0.00 . 1 . . . . . 104 TYR H . 52740 1 489 . 1 . 1 104 104 TYR C C 13 175.708 0.00 . 1 . . . . . 104 TYR C . 52740 1 490 . 1 . 1 104 104 TYR CA C 13 58.290 0.01 . 1 . . . . . 104 TYR CA . 52740 1 491 . 1 . 1 104 104 TYR CB C 13 38.713 0.02 . 1 . . . . . 104 TYR CB . 52740 1 492 . 1 . 1 104 104 TYR N N 15 120.148 0.00 . 1 . . . . . 104 TYR N . 52740 1 493 . 1 . 1 105 105 ASP H H 1 8.218 0.00 . 1 . . . . . 105 ASP H . 52740 1 494 . 1 . 1 105 105 ASP C C 13 176.448 0.00 . 1 . . . . . 105 ASP C . 52740 1 495 . 1 . 1 105 105 ASP CA C 13 54.247 0.04 . 1 . . . . . 105 ASP CA . 52740 1 496 . 1 . 1 105 105 ASP CB C 13 41.150 0.02 . 1 . . . . . 105 ASP CB . 52740 1 497 . 1 . 1 105 105 ASP N N 15 122.374 0.00 . 1 . . . . . 105 ASP N . 52740 1 498 . 1 . 1 106 106 GLY H H 1 7.641 0.00 . 1 . . . . . 106 GLY H . 52740 1 499 . 1 . 1 106 106 GLY C C 13 174.297 0.00 . 1 . . . . . 106 GLY C . 52740 1 500 . 1 . 1 106 106 GLY CA C 13 45.452 0.00 . 1 . . . . . 106 GLY CA . 52740 1 501 . 1 . 1 106 106 GLY N N 15 108.381 0.00 . 1 . . . . . 106 GLY N . 52740 1 502 . 1 . 1 107 107 ILE H H 1 8.104 0.00 . 1 . . . . . 107 ILE H . 52740 1 503 . 1 . 1 107 107 ILE C C 13 177.171 0.00 . 1 . . . . . 107 ILE C . 52740 1 504 . 1 . 1 107 107 ILE CA C 13 61.842 0.01 . 1 . . . . . 107 ILE CA . 52740 1 505 . 1 . 1 107 107 ILE CB C 13 38.436 0.01 . 1 . . . . . 107 ILE CB . 52740 1 506 . 1 . 1 107 107 ILE N N 15 120.252 0.00 . 1 . . . . . 107 ILE N . 52740 1 507 . 1 . 1 108 108 GLY H H 1 8.665 0.00 . 1 . . . . . 108 GLY H . 52740 1 508 . 1 . 1 108 108 GLY C C 13 174.383 0.00 . 1 . . . . . 108 GLY C . 52740 1 509 . 1 . 1 108 108 GLY CA C 13 45.376 0.01 . 1 . . . . . 108 GLY CA . 52740 1 510 . 1 . 1 108 108 GLY N N 15 112.632 0.00 . 1 . . . . . 108 GLY N . 52740 1 511 . 1 . 1 109 109 SER H H 1 8.280 0.00 . 1 . . . . . 109 SER H . 52740 1 512 . 1 . 1 109 109 SER C C 13 174.950 0.00 . 1 . . . . . 109 SER C . 52740 1 513 . 1 . 1 109 109 SER CA C 13 58.503 0.00 . 1 . . . . . 109 SER CA . 52740 1 514 . 1 . 1 109 109 SER CB C 13 63.826 0.00 . 1 . . . . . 109 SER CB . 52740 1 515 . 1 . 1 109 109 SER N N 15 115.912 0.01 . 1 . . . . . 109 SER N . 52740 1 516 . 1 . 1 110 110 ARG H H 1 8.470 0.00 . 1 . . . . . 110 ARG H . 52740 1 517 . 1 . 1 110 110 ARG C C 13 177.091 0.00 . 1 . . . . . 110 ARG C . 52740 1 518 . 1 . 1 110 110 ARG CA C 13 56.663 0.00 . 1 . . . . . 110 ARG CA . 52740 1 519 . 1 . 1 110 110 ARG CB C 13 30.434 0.00 . 1 . . . . . 110 ARG CB . 52740 1 520 . 1 . 1 110 110 ARG N N 15 122.696 0.04 . 1 . . . . . 110 ARG N . 52740 1 521 . 1 . 1 111 111 GLY H H 1 8.375 0.00 . 1 . . . . . 111 GLY H . 52740 1 522 . 1 . 1 111 111 GLY C C 13 173.856 0.00 . 1 . . . . . 111 GLY C . 52740 1 523 . 1 . 1 111 111 GLY CA C 13 45.139 0.12 . 1 . . . . . 111 GLY CA . 52740 1 524 . 1 . 1 111 111 GLY N N 15 109.307 0.00 . 1 . . . . . 111 GLY N . 52740 1 525 . 1 . 1 112 112 ASP H H 1 8.254 0.00 . 1 . . . . . 112 ASP H . 52740 1 526 . 1 . 1 112 112 ASP C C 13 176.671 0.00 . 1 . . . . . 112 ASP C . 52740 1 527 . 1 . 1 112 112 ASP CA C 13 54.339 0.03 . 1 . . . . . 112 ASP CA . 52740 1 528 . 1 . 1 112 112 ASP CB C 13 41.102 0.06 . 1 . . . . . 112 ASP CB . 52740 1 529 . 1 . 1 112 112 ASP N N 15 120.367 0.01 . 1 . . . . . 112 ASP N . 52740 1 530 . 1 . 1 113 113 ARG H H 1 8.469 0.00 . 1 . . . . . 113 ARG H . 52740 1 531 . 1 . 1 113 113 ARG C C 13 176.735 0.00 . 1 . . . . . 113 ARG C . 52740 1 532 . 1 . 1 113 113 ARG CA C 13 56.199 0.04 . 1 . . . . . 113 ARG CA . 52740 1 533 . 1 . 1 113 113 ARG CB C 13 30.252 0.01 . 1 . . . . . 113 ARG CB . 52740 1 534 . 1 . 1 113 113 ARG N N 15 121.893 0.01 . 1 . . . . . 113 ARG N . 52740 1 535 . 1 . 1 114 114 SER H H 1 8.439 0.00 . 1 . . . . . 114 SER H . 52740 1 536 . 1 . 1 114 114 SER C C 13 175.280 0.00 . 1 . . . . . 114 SER C . 52740 1 537 . 1 . 1 114 114 SER CA C 13 59.131 0.00 . 1 . . . . . 114 SER CA . 52740 1 538 . 1 . 1 114 114 SER CB C 13 63.793 0.00 . 1 . . . . . 114 SER CB . 52740 1 539 . 1 . 1 114 114 SER N N 15 116.732 0.01 . 1 . . . . . 114 SER N . 52740 1 540 . 1 . 1 115 115 GLY H H 1 8.476 0.01 . 1 . . . . . 115 GLY H . 52740 1 541 . 1 . 1 115 115 GLY C C 13 174.089 0.00 . 1 . . . . . 115 GLY C . 52740 1 542 . 1 . 1 115 115 GLY CA C 13 45.397 0.01 . 1 . . . . . 115 GLY CA . 52740 1 543 . 1 . 1 115 115 GLY N N 15 111.108 0.00 . 1 . . . . . 115 GLY N . 52740 1 544 . 1 . 1 116 116 ALA H H 1 8.186 0.00 . 1 . . . . . 116 ALA H . 52740 1 545 . 1 . 1 116 116 ALA C C 13 178.384 0.00 . 1 . . . . . 116 ALA C . 52740 1 546 . 1 . 1 116 116 ALA CA C 13 52.762 0.01 . 1 . . . . . 116 ALA CA . 52740 1 547 . 1 . 1 116 116 ALA CB C 13 19.208 0.01 . 1 . . . . . 116 ALA CB . 52740 1 548 . 1 . 1 116 116 ALA N N 15 123.728 0.00 . 1 . . . . . 116 ALA N . 52740 1 549 . 1 . 1 117 117 GLY H H 1 8.506 0.00 . 1 . . . . . 117 GLY H . 52740 1 550 . 1 . 1 117 117 GLY C C 13 174.253 0.00 . 1 . . . . . 117 GLY C . 52740 1 551 . 1 . 1 117 117 GLY CA C 13 45.282 0.03 . 1 . . . . . 117 GLY CA . 52740 1 552 . 1 . 1 117 117 GLY N N 15 108.411 0.00 . 1 . . . . . 117 GLY N . 52740 1 553 . 1 . 1 118 118 LYS H H 1 8.150 0.00 . 1 . . . . . 118 LYS H . 52740 1 554 . 1 . 1 118 118 LYS C C 13 176.582 0.00 . 1 . . . . . 118 LYS C . 52740 1 555 . 1 . 1 118 118 LYS CA C 13 56.438 0.03 . 1 . . . . . 118 LYS CA . 52740 1 556 . 1 . 1 118 118 LYS CB C 13 33.035 0.00 . 1 . . . . . 118 LYS CB . 52740 1 557 . 1 . 1 118 118 LYS N N 15 120.886 0.01 . 1 . . . . . 118 LYS N . 52740 1 558 . 1 . 1 119 119 ALA H H 1 8.391 0.00 . 1 . . . . . 119 ALA H . 52740 1 559 . 1 . 1 119 119 ALA C C 13 177.836 0.00 . 1 . . . . . 119 ALA C . 52740 1 560 . 1 . 1 119 119 ALA CA C 13 52.641 0.01 . 1 . . . . . 119 ALA CA . 52740 1 561 . 1 . 1 119 119 ALA CB C 13 19.070 0.03 . 1 . . . . . 119 ALA CB . 52740 1 562 . 1 . 1 119 119 ALA N N 15 124.864 0.00 . 1 . . . . . 119 ALA N . 52740 1 563 . 1 . 1 120 120 GLU H H 1 8.402 0.00 . 1 . . . . . 120 GLU H . 52740 1 564 . 1 . 1 120 120 GLU C C 13 176.666 0.00 . 1 . . . . . 120 GLU C . 52740 1 565 . 1 . 1 120 120 GLU CA C 13 56.569 0.02 . 1 . . . . . 120 GLU CA . 52740 1 566 . 1 . 1 120 120 GLU CB C 13 30.180 0.01 . 1 . . . . . 120 GLU CB . 52740 1 567 . 1 . 1 120 120 GLU N N 15 120.423 0.01 . 1 . . . . . 120 GLU N . 52740 1 568 . 1 . 1 121 121 ARG H H 1 8.448 0.00 . 1 . . . . . 121 ARG H . 52740 1 569 . 1 . 1 121 121 ARG C C 13 176.900 0.00 . 1 . . . . . 121 ARG C . 52740 1 570 . 1 . 1 121 121 ARG CA C 13 56.339 0.05 . 1 . . . . . 121 ARG CA . 52740 1 571 . 1 . 1 121 121 ARG CB C 13 30.641 0.05 . 1 . . . . . 121 ARG CB . 52740 1 572 . 1 . 1 121 121 ARG N N 15 122.090 0.01 . 1 . . . . . 121 ARG N . 52740 1 573 . 1 . 1 122 122 GLY H H 1 8.494 0.00 . 1 . . . . . 122 GLY H . 52740 1 574 . 1 . 1 122 122 GLY C C 13 174.735 0.00 . 1 . . . . . 122 GLY C . 52740 1 575 . 1 . 1 122 122 GLY CA C 13 45.296 0.01 . 1 . . . . . 122 GLY CA . 52740 1 576 . 1 . 1 122 122 GLY N N 15 109.944 0.00 . 1 . . . . . 122 GLY N . 52740 1 577 . 1 . 1 123 123 GLY H H 1 8.369 0.00 . 1 . . . . . 123 GLY H . 52740 1 578 . 1 . 1 123 123 GLY C C 13 174.118 0.00 . 1 . . . . . 123 GLY C . 52740 1 579 . 1 . 1 123 123 GLY CA C 13 45.408 0.01 . 1 . . . . . 123 GLY CA . 52740 1 580 . 1 . 1 123 123 GLY N N 15 108.807 0.00 . 1 . . . . . 123 GLY N . 52740 1 581 . 1 . 1 124 124 ASN H H 1 8.445 0.00 . 1 . . . . . 124 ASN H . 52740 1 582 . 1 . 1 124 124 ASN C C 13 175.511 0.00 . 1 . . . . . 124 ASN C . 52740 1 583 . 1 . 1 124 124 ASN CA C 13 53.189 0.01 . 1 . . . . . 124 ASN CA . 52740 1 584 . 1 . 1 124 124 ASN CB C 13 38.960 0.00 . 1 . . . . . 124 ASN CB . 52740 1 585 . 1 . 1 124 124 ASN N N 15 118.822 0.00 . 1 . . . . . 124 ASN N . 52740 1 586 . 1 . 1 125 125 SER H H 1 8.368 0.00 . 1 . . . . . 125 SER H . 52740 1 587 . 1 . 1 125 125 SER C C 13 174.618 0.00 . 1 . . . . . 125 SER C . 52740 1 588 . 1 . 1 125 125 SER CA C 13 58.677 0.04 . 1 . . . . . 125 SER CA . 52740 1 589 . 1 . 1 125 125 SER CB C 13 63.759 0.05 . 1 . . . . . 125 SER CB . 52740 1 590 . 1 . 1 125 125 SER N N 15 116.512 0.01 . 1 . . . . . 125 SER N . 52740 1 591 . 1 . 1 126 126 ARG H H 1 8.357 0.00 . 1 . . . . . 126 ARG H . 52740 1 592 . 1 . 1 126 126 ARG C C 13 176.307 0.00 . 1 . . . . . 126 ARG C . 52740 1 593 . 1 . 1 126 126 ARG CA C 13 56.398 0.00 . 1 . . . . . 126 ARG CA . 52740 1 594 . 1 . 1 126 126 ARG CB C 13 30.497 0.00 . 1 . . . . . 126 ARG CB . 52740 1 595 . 1 . 1 126 126 ARG N N 15 122.456 0.05 . 1 . . . . . 126 ARG N . 52740 1 596 . 1 . 1 127 127 TRP H H 1 8.191 0.00 . 1 . . . . . 127 TRP H . 52740 1 597 . 1 . 1 127 127 TRP C C 13 176.038 0.00 . 1 . . . . . 127 TRP C . 52740 1 598 . 1 . 1 127 127 TRP CA C 13 57.494 0.02 . 1 . . . . . 127 TRP CA . 52740 1 599 . 1 . 1 127 127 TRP CB C 13 29.413 0.01 . 1 . . . . . 127 TRP CB . 52740 1 600 . 1 . 1 127 127 TRP N N 15 121.675 0.00 . 1 . . . . . 127 TRP N . 52740 1 601 . 1 . 1 128 128 CYS H H 1 7.920 0.00 . 1 . . . . . 128 CYS H . 52740 1 602 . 1 . 1 128 128 CYS C C 13 173.647 0.00 . 1 . . . . . 128 CYS C . 52740 1 603 . 1 . 1 128 128 CYS CA C 13 58.034 0.04 . 1 . . . . . 128 CYS CA . 52740 1 604 . 1 . 1 128 128 CYS CB C 13 28.287 0.01 . 1 . . . . . 128 CYS CB . 52740 1 605 . 1 . 1 128 128 CYS N N 15 120.168 0.00 . 1 . . . . . 128 CYS N . 52740 1 606 . 1 . 1 129 129 ASP H H 1 8.267 0.00 . 1 . . . . . 129 ASP H . 52740 1 607 . 1 . 1 129 129 ASP C C 13 175.851 0.00 . 1 . . . . . 129 ASP C . 52740 1 608 . 1 . 1 129 129 ASP CA C 13 54.384 0.02 . 1 . . . . . 129 ASP CA . 52740 1 609 . 1 . 1 129 129 ASP CB C 13 41.201 0.05 . 1 . . . . . 129 ASP CB . 52740 1 610 . 1 . 1 129 129 ASP N N 15 123.090 0.01 . 1 . . . . . 129 ASP N . 52740 1 611 . 1 . 1 130 130 LYS H H 1 8.187 0.01 . 1 . . . . . 130 LYS H . 52740 1 612 . 1 . 1 130 130 LYS C C 13 176.336 0.00 . 1 . . . . . 130 LYS C . 52740 1 613 . 1 . 1 130 130 LYS CA C 13 56.214 0.04 . 1 . . . . . 130 LYS CA . 52740 1 614 . 1 . 1 130 130 LYS CB C 13 33.166 0.02 . 1 . . . . . 130 LYS CB . 52740 1 615 . 1 . 1 130 130 LYS N N 15 121.749 0.05 . 1 . . . . . 130 LYS N . 52740 1 616 . 1 . 1 131 131 SER H H 1 8.497 0.00 . 1 . . . . . 131 SER H . 52740 1 617 . 1 . 1 131 131 SER C C 13 173.411 0.00 . 1 . . . . . 131 SER C . 52740 1 618 . 1 . 1 131 131 SER CA C 13 58.330 0.02 . 1 . . . . . 131 SER CA . 52740 1 619 . 1 . 1 131 131 SER CB C 13 64.129 0.01 . 1 . . . . . 131 SER CB . 52740 1 620 . 1 . 1 131 131 SER N N 15 118.207 0.00 . 1 . . . . . 131 SER N . 52740 1 621 . 1 . 1 132 132 ASP H H 1 8.090 0.00 . 1 . . . . . 132 ASP H . 52740 1 622 . 1 . 1 132 132 ASP CA C 13 55.748 0.00 . 1 . . . . . 132 ASP CA . 52740 1 623 . 1 . 1 132 132 ASP CB C 13 41.986 0.00 . 1 . . . . . 132 ASP CB . 52740 1 624 . 1 . 1 132 132 ASP N N 15 127.806 0.00 . 1 . . . . . 132 ASP N . 52740 1 stop_ save_