################################### # 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 26944 _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' . . . 26944 1 2 '3D CBCA(CO)NH' . . . 26944 1 3 '3D HNCACB' . . . 26944 1 4 '3D HNCO' . . . 26944 1 5 '3d HN(CA)CO' . . . 26944 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 . . 26944 1 2 $TOPSPIN . . 26944 1 3 $SPARKY . . 26944 1 4 $PINE . . 26944 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.758 0.01 . . . . . . 1 ALA H . 26944 1 2 . 1 1 2 2 ALA C C 13 173.376 0.01 . . . . . . 1 ALA C . 26944 1 3 . 1 1 2 2 ALA CA C 13 51.654 0.09 . . . . . . 1 ALA CA . 26944 1 4 . 1 1 2 2 ALA CB C 13 19.503 0.02 . . . . . . 1 ALA CB . 26944 1 5 . 1 1 2 2 ALA N N 15 120.946 0.00 . . . . . . 1 ALA N . 26944 1 6 . 1 1 3 3 LEU H H 1 8.717 0.00 . . . . . . 2 LEU H . 26944 1 7 . 1 1 3 3 LEU C C 13 174.925 0.01 . . . . . . 2 LEU C . 26944 1 8 . 1 1 3 3 LEU CA C 13 53.145 0.02 . . . . . . 2 LEU CA . 26944 1 9 . 1 1 3 3 LEU CB C 13 39.627 0.03 . . . . . . 2 LEU CB . 26944 1 10 . 1 1 3 3 LEU N N 15 121.225 0.01 . . . . . . 2 LEU N . 26944 1 11 . 1 1 4 4 ASP H H 1 7.808 0.00 . . . . . . 3 ASP H . 26944 1 12 . 1 1 4 4 ASP C C 13 176.038 0.01 . . . . . . 3 ASP C . 26944 1 13 . 1 1 4 4 ASP CA C 13 51.392 0.04 . . . . . . 3 ASP CA . 26944 1 14 . 1 1 4 4 ASP CB C 13 42.922 0.02 . . . . . . 3 ASP CB . 26944 1 15 . 1 1 4 4 ASP N N 15 121.489 0.01 . . . . . . 3 ASP N . 26944 1 16 . 1 1 5 5 ALA H H 1 8.558 0.00 . . . . . . 4 ALA H . 26944 1 17 . 1 1 5 5 ALA C C 13 179.135 0.02 . . . . . . 4 ALA C . 26944 1 18 . 1 1 5 5 ALA CA C 13 55.541 0.04 . . . . . . 4 ALA CA . 26944 1 19 . 1 1 5 5 ALA CB C 13 18.732 0.01 . . . . . . 4 ALA CB . 26944 1 20 . 1 1 5 5 ALA N N 15 123.071 0.01 . . . . . . 4 ALA N . 26944 1 21 . 1 1 6 6 ALA H H 1 7.705 0.00 . . . . . . 5 ALA H . 26944 1 22 . 1 1 6 6 ALA C C 13 179.119 0.01 . . . . . . 5 ALA C . 26944 1 23 . 1 1 6 6 ALA CA C 13 54.660 0.02 . . . . . . 5 ALA CA . 26944 1 24 . 1 1 6 6 ALA CB C 13 18.126 0.02 . . . . . . 5 ALA CB . 26944 1 25 . 1 1 6 6 ALA N N 15 119.384 0.01 . . . . . . 5 ALA N . 26944 1 26 . 1 1 7 7 TYR H H 1 7.690 0.00 . . . . . . 6 TYR H . 26944 1 27 . 1 1 7 7 TYR C C 13 178.236 0.01 . . . . . . 6 TYR C . 26944 1 28 . 1 1 7 7 TYR CA C 13 60.281 0.04 . . . . . . 6 TYR CA . 26944 1 29 . 1 1 7 7 TYR CB C 13 40.282 0.01 . . . . . . 6 TYR CB . 26944 1 30 . 1 1 7 7 TYR N N 15 115.540 0.01 . . . . . . 6 TYR N . 26944 1 31 . 1 1 8 8 CYS H H 1 8.891 0.00 . . . . . . 7 CYS H . 26944 1 32 . 1 1 8 8 CYS C C 13 176.341 0.02 . . . . . . 7 CYS C . 26944 1 33 . 1 1 8 8 CYS CA C 13 57.218 0.02 . . . . . . 7 CYS CA . 26944 1 34 . 1 1 8 8 CYS CB C 13 40.467 0.02 . . . . . . 7 CYS CB . 26944 1 35 . 1 1 8 8 CYS N N 15 115.253 0.01 . . . . . . 7 CYS N . 26944 1 36 . 1 1 9 9 PHE H H 1 8.467 0.00 . . . . . . 8 PHE H . 26944 1 37 . 1 1 9 9 PHE C C 13 176.673 0.01 . . . . . . 8 PHE C . 26944 1 38 . 1 1 9 9 PHE CA C 13 56.246 0.08 . . . . . . 8 PHE CA . 26944 1 39 . 1 1 9 9 PHE CB C 13 35.923 0.01 . . . . . . 8 PHE CB . 26944 1 40 . 1 1 9 9 PHE N N 15 117.297 0.01 . . . . . . 8 PHE N . 26944 1 41 . 1 1 10 10 ARG H H 1 7.193 0.00 . . . . . . 9 ARG H . 26944 1 42 . 1 1 10 10 ARG C C 13 175.141 0.00 . . . . . . 9 ARG C . 26944 1 43 . 1 1 10 10 ARG CA C 13 56.541 0.06 . . . . . . 9 ARG CA . 26944 1 44 . 1 1 10 10 ARG CB C 13 30.999 0.00 . . . . . . 9 ARG CB . 26944 1 45 . 1 1 10 10 ARG N N 15 116.655 0.01 . . . . . . 9 ARG N . 26944 1 46 . 1 1 11 11 ASN H H 1 7.445 0.00 . . . . . . 10 ASN H . 26944 1 47 . 1 1 11 11 ASN C C 13 173.543 0.00 . . . . . . 10 ASN C . 26944 1 48 . 1 1 11 11 ASN CA C 13 52.541 0.05 . . . . . . 10 ASN CA . 26944 1 49 . 1 1 11 11 ASN CB C 13 39.509 0.03 . . . . . . 10 ASN CB . 26944 1 50 . 1 1 11 11 ASN N N 15 117.981 0.02 . . . . . . 10 ASN N . 26944 1 51 . 1 1 12 12 VAL H H 1 8.148 0.00 . . . . . . 11 VAL H . 26944 1 52 . 1 1 12 12 VAL C C 13 134.153 72.75 . . . . . . 11 VAL C . 26944 1 53 . 1 1 12 12 VAL CA C 13 63.693 0.06 . . . . . . 11 VAL CA . 26944 1 54 . 1 1 12 12 VAL CB C 13 31.367 0.02 . . . . . . 11 VAL CB . 26944 1 55 . 1 1 12 12 VAL N N 15 121.890 0.01 . . . . . . 11 VAL N . 26944 1 56 . 1 1 13 13 GLN H H 1 8.500 0.00 . . . . . . 12 GLN H . 26944 1 57 . 1 1 13 13 GLN C C 13 175.653 0.01 . . . . . . 12 GLN C . 26944 1 58 . 1 1 13 13 GLN CA C 13 54.491 0.04 . . . . . . 12 GLN CA . 26944 1 59 . 1 1 13 13 GLN CB C 13 31.245 0.04 . . . . . . 12 GLN CB . 26944 1 60 . 1 1 13 13 GLN N N 15 124.453 0.03 . . . . . . 12 GLN N . 26944 1 61 . 1 1 14 14 ASP H H 1 8.697 0.00 . . . . . . 13 ASP H . 26944 1 62 . 1 1 14 14 ASP C C 13 176.966 0.01 . . . . . . 13 ASP C . 26944 1 63 . 1 1 14 14 ASP CA C 13 55.446 0.05 . . . . . . 13 ASP CA . 26944 1 64 . 1 1 14 14 ASP CB C 13 40.954 0.03 . . . . . . 13 ASP CB . 26944 1 65 . 1 1 14 14 ASP N N 15 120.889 0.01 . . . . . . 13 ASP N . 26944 1 66 . 1 1 15 15 ASN H H 1 7.668 0.00 . . . . . . 14 ASN H . 26944 1 67 . 1 1 15 15 ASN C C 13 174.053 0.01 . . . . . . 14 ASN C . 26944 1 68 . 1 1 15 15 ASN CA C 13 53.450 0.02 . . . . . . 14 ASN CA . 26944 1 69 . 1 1 15 15 ASN CB C 13 39.400 0.03 . . . . . . 14 ASN CB . 26944 1 70 . 1 1 15 15 ASN N N 15 117.507 0.01 . . . . . . 14 ASN N . 26944 1 71 . 1 1 16 16 CYS H H 1 8.592 0.00 . . . . . . 15 CYS H . 26944 1 72 . 1 1 16 16 CYS C C 13 172.307 0.01 . . . . . . 15 CYS C . 26944 1 73 . 1 1 16 16 CYS CA C 13 55.419 0.02 . . . . . . 15 CYS CA . 26944 1 74 . 1 1 16 16 CYS CB C 13 35.210 0.02 . . . . . . 15 CYS CB . 26944 1 75 . 1 1 16 16 CYS N N 15 116.245 0.01 . . . . . . 15 CYS N . 26944 1 76 . 1 1 17 17 CYS H H 1 8.142 0.00 . . . . . . 16 CYS H . 26944 1 77 . 1 1 17 17 CYS C C 13 171.262 0.01 . . . . . . 16 CYS C . 26944 1 78 . 1 1 17 17 CYS CA C 13 59.275 0.05 . . . . . . 16 CYS CA . 26944 1 79 . 1 1 17 17 CYS CB C 13 39.686 0.03 . . . . . . 16 CYS CB . 26944 1 80 . 1 1 17 17 CYS N N 15 125.056 0.02 . . . . . . 16 CYS N . 26944 1 81 . 1 1 18 18 LEU H H 1 7.657 0.00 . . . . . . 17 LEU H . 26944 1 82 . 1 1 18 18 LEU C C 13 174.636 0.01 . . . . . . 17 LEU C . 26944 1 83 . 1 1 18 18 LEU CA C 13 55.632 0.03 . . . . . . 17 LEU CA . 26944 1 84 . 1 1 18 18 LEU CB C 13 43.840 0.03 . . . . . . 17 LEU CB . 26944 1 85 . 1 1 18 18 LEU N N 15 125.399 0.01 . . . . . . 17 LEU N . 26944 1 86 . 1 1 19 19 ARG H H 1 9.170 0.00 . . . . . . 18 ARG H . 26944 1 87 . 1 1 19 19 ARG C C 13 173.071 0.00 . . . . . . 18 ARG C . 26944 1 88 . 1 1 19 19 ARG CA C 13 50.634 0.00 . . . . . . 18 ARG CA . 26944 1 89 . 1 1 19 19 ARG CB C 13 29.897 0.00 . . . . . . 18 ARG CB . 26944 1 90 . 1 1 19 19 ARG N N 15 125.881 0.01 . . . . . . 18 ARG N . 26944 1 91 . 1 1 20 20 PRO C C 13 177.034 0.01 . . . . . . 19 PRO C . 26944 1 92 . 1 1 20 20 PRO CA C 13 62.126 0.06 . . . . . . 19 PRO CA . 26944 1 93 . 1 1 20 20 PRO CB C 13 31.856 0.02 . . . . . . 19 PRO CB . 26944 1 94 . 1 1 21 21 LEU H H 1 7.756 0.00 . . . . . . 20 LEU H . 26944 1 95 . 1 1 21 21 LEU C C 13 173.411 0.01 . . . . . . 20 LEU C . 26944 1 96 . 1 1 21 21 LEU CA C 13 56.713 0.01 . . . . . . 20 LEU CA . 26944 1 97 . 1 1 21 21 LEU CB C 13 44.739 0.03 . . . . . . 20 LEU CB . 26944 1 98 . 1 1 21 21 LEU N N 15 119.380 0.02 . . . . . . 20 LEU N . 26944 1 99 . 1 1 22 22 TYR H H 1 8.724 0.00 . . . . . . 21 TYR H . 26944 1 100 . 1 1 22 22 TYR C C 13 173.837 0.01 . . . . . . 21 TYR C . 26944 1 101 . 1 1 22 22 TYR CA C 13 56.800 0.04 . . . . . . 21 TYR CA . 26944 1 102 . 1 1 22 22 TYR CB C 13 39.693 0.02 . . . . . . 21 TYR CB . 26944 1 103 . 1 1 22 22 TYR N N 15 131.325 0.01 . . . . . . 21 TYR N . 26944 1 104 . 1 1 23 23 ILE H H 1 7.855 0.00 . . . . . . 22 ILE H . 26944 1 105 . 1 1 23 23 ILE C C 13 172.299 0.00 . . . . . . 22 ILE C . 26944 1 106 . 1 1 23 23 ILE CA C 13 58.264 0.04 . . . . . . 22 ILE CA . 26944 1 107 . 1 1 23 23 ILE CB C 13 39.082 0.03 . . . . . . 22 ILE CB . 26944 1 108 . 1 1 23 23 ILE N N 15 128.067 0.02 . . . . . . 22 ILE N . 26944 1 109 . 1 1 24 24 ASP H H 1 9.265 0.00 . . . . . . 23 ASP H . 26944 1 110 . 1 1 24 24 ASP C C 13 177.380 0.01 . . . . . . 23 ASP C . 26944 1 111 . 1 1 24 24 ASP CA C 13 52.682 0.04 . . . . . . 23 ASP CA . 26944 1 112 . 1 1 24 24 ASP CB C 13 44.429 0.03 . . . . . . 23 ASP CB . 26944 1 113 . 1 1 24 24 ASP N N 15 127.811 0.02 . . . . . . 23 ASP N . 26944 1 114 . 1 1 25 25 PHE H H 1 8.281 0.00 . . . . . . 24 PHE H . 26944 1 115 . 1 1 25 25 PHE C C 13 177.868 0.01 . . . . . . 24 PHE C . 26944 1 116 . 1 1 25 25 PHE CA C 13 63.370 0.10 . . . . . . 24 PHE CA . 26944 1 117 . 1 1 25 25 PHE CB C 13 38.480 0.00 . . . . . . 24 PHE CB . 26944 1 118 . 1 1 25 25 PHE N N 15 125.316 0.02 . . . . . . 24 PHE N . 26944 1 119 . 1 1 26 26 ARG H H 1 8.748 0.00 . . . . . . 25 ARG H . 26944 1 120 . 1 1 26 26 ARG C C 13 178.544 0.00 . . . . . . 25 ARG C . 26944 1 121 . 1 1 26 26 ARG CA C 13 59.945 0.04 . . . . . . 25 ARG CA . 26944 1 122 . 1 1 26 26 ARG CB C 13 30.589 0.01 . . . . . . 25 ARG CB . 26944 1 123 . 1 1 26 26 ARG N N 15 119.294 0.01 . . . . . . 25 ARG N . 26944 1 124 . 1 1 27 27 LYS H H 1 8.871 0.00 . . . . . . 26 LYS H . 26944 1 125 . 1 1 27 27 LYS C C 13 177.618 0.01 . . . . . . 26 LYS C . 26944 1 126 . 1 1 27 27 LYS CA C 13 59.220 0.08 . . . . . . 26 LYS CA . 26944 1 127 . 1 1 27 27 LYS CB C 13 33.508 0.07 . . . . . . 26 LYS CB . 26944 1 128 . 1 1 27 27 LYS N N 15 107.008 28.87 . . . . . . 26 LYS N . 26944 1 129 . 1 1 28 28 ASP H H 1 8.197 0.45 . . . . . . 27 ASP H . 26944 1 130 . 1 1 28 28 ASP C C 13 176.891 0.00 . . . . . . 27 ASP C . 26944 1 131 . 1 1 28 28 ASP CA C 13 56.637 0.04 . . . . . . 27 ASP CA . 26944 1 132 . 1 1 28 28 ASP CB C 13 41.550 0.02 . . . . . . 27 ASP CB . 26944 1 133 . 1 1 28 28 ASP N N 15 114.069 0.04 . . . . . . 27 ASP N . 26944 1 134 . 1 1 29 29 LEU H H 1 6.553 0.00 . . . . . . 28 LEU H . 26944 1 135 . 1 1 29 29 LEU CA C 13 115.689 50.02 . . . . . . 28 LEU CA . 26944 1 136 . 1 1 29 29 LEU CB C 13 41.487 0.00 . . . . . . 28 LEU CB . 26944 1 137 . 1 1 29 29 LEU N N 15 113.558 0.05 . . . . . . 28 LEU N . 26944 1 138 . 1 1 30 30 GLY H H 1 7.230 0.00 . . . . . . 29 GLY H . 26944 1 139 . 1 1 30 30 GLY C C 13 175.629 0.01 . . . . . . 29 GLY C . 26944 1 140 . 1 1 30 30 GLY CA C 13 46.352 0.03 . . . . . . 29 GLY CA . 26944 1 141 . 1 1 30 30 GLY N N 15 106.665 0.02 . . . . . . 29 GLY N . 26944 1 142 . 1 1 31 31 TRP H H 1 8.087 0.00 . . . . . . 30 TRP H . 26944 1 143 . 1 1 31 31 TRP C C 13 176.348 0.01 . . . . . . 30 TRP C . 26944 1 144 . 1 1 31 31 TRP CA C 13 54.435 0.03 . . . . . . 30 TRP CA . 26944 1 145 . 1 1 31 31 TRP CB C 13 29.263 0.02 . . . . . . 30 TRP CB . 26944 1 146 . 1 1 31 31 TRP N N 15 122.613 0.02 . . . . . . 30 TRP N . 26944 1 147 . 1 1 32 32 LYS H H 1 8.605 0.00 . . . . . . 31 LYS H . 26944 1 148 . 1 1 32 32 LYS C C 13 175.925 0.00 . . . . . . 31 LYS C . 26944 1 149 . 1 1 32 32 LYS CA C 13 57.355 0.04 . . . . . . 31 LYS CA . 26944 1 150 . 1 1 32 32 LYS CB C 13 32.680 0.01 . . . . . . 31 LYS CB . 26944 1 151 . 1 1 32 32 LYS N N 15 121.610 0.03 . . . . . . 31 LYS N . 26944 1 152 . 1 1 33 33 TRP H H 1 7.158 0.00 . . . . . . 32 TRP H . 26944 1 153 . 1 1 33 33 TRP C C 13 175.848 0.01 . . . . . . 32 TRP C . 26944 1 154 . 1 1 33 33 TRP CA C 13 55.847 0.02 . . . . . . 32 TRP CA . 26944 1 155 . 1 1 33 33 TRP CB C 13 29.118 0.01 . . . . . . 32 TRP CB . 26944 1 156 . 1 1 33 33 TRP N N 15 114.770 0.00 . . . . . . 32 TRP N . 26944 1 157 . 1 1 34 34 ILE H H 1 6.917 0.00 . . . . . . 33 ILE H . 26944 1 158 . 1 1 34 34 ILE C C 13 175.440 0.01 . . . . . . 33 ILE C . 26944 1 159 . 1 1 34 34 ILE CA C 13 62.291 0.05 . . . . . . 33 ILE CA . 26944 1 160 . 1 1 34 34 ILE CB C 13 37.889 0.05 . . . . . . 33 ILE CB . 26944 1 161 . 1 1 34 34 ILE N N 15 121.885 0.01 . . . . . . 33 ILE N . 26944 1 162 . 1 1 35 35 HIS H H 1 9.092 0.01 . . . . . . 34 HIS H . 26944 1 163 . 1 1 35 35 HIS C C 13 174.313 0.01 . . . . . . 34 HIS C . 26944 1 164 . 1 1 35 35 HIS CA C 13 58.057 0.05 . . . . . . 34 HIS CA . 26944 1 165 . 1 1 35 35 HIS CB C 13 30.995 0.02 . . . . . . 34 HIS CB . 26944 1 166 . 1 1 35 35 HIS N N 15 127.360 0.03 . . . . . . 34 HIS N . 26944 1 167 . 1 1 36 36 GLU H H 1 7.917 0.00 . . . . . . 35 GLU H . 26944 1 168 . 1 1 36 36 GLU C C 13 172.952 0.00 . . . . . . 35 GLU C . 26944 1 169 . 1 1 36 36 GLU CA C 13 53.816 0.00 . . . . . . 35 GLU CA . 26944 1 170 . 1 1 36 36 GLU CB C 13 33.769 0.00 . . . . . . 35 GLU CB . 26944 1 171 . 1 1 36 36 GLU N N 15 117.405 0.02 . . . . . . 35 GLU N . 26944 1 172 . 1 1 37 37 PRO C C 13 175.469 0.01 . . . . . . 36 PRO C . 26944 1 173 . 1 1 37 37 PRO CA C 13 62.725 0.03 . . . . . . 36 PRO CA . 26944 1 174 . 1 1 37 37 PRO CB C 13 34.768 0.00 . . . . . . 36 PRO CB . 26944 1 175 . 1 1 38 38 LYS H H 1 8.784 0.00 . . . . . . 37 LYS H . 26944 1 176 . 1 1 38 38 LYS C C 13 177.127 0.01 . . . . . . 37 LYS C . 26944 1 177 . 1 1 38 38 LYS CA C 13 57.874 0.04 . . . . . . 37 LYS CA . 26944 1 178 . 1 1 38 38 LYS CB C 13 32.564 0.01 . . . . . . 37 LYS CB . 26944 1 179 . 1 1 38 38 LYS N N 15 116.311 0.01 . . . . . . 37 LYS N . 26944 1 180 . 1 1 39 39 GLY H H 1 7.714 0.00 . . . . . . 38 GLY H . 26944 1 181 . 1 1 39 39 GLY C C 13 170.498 0.00 . . . . . . 38 GLY C . 26944 1 182 . 1 1 39 39 GLY CA C 13 46.015 0.04 . . . . . . 38 GLY CA . 26944 1 183 . 1 1 39 39 GLY N N 15 105.999 0.00 . . . . . . 38 GLY N . 26944 1 184 . 1 1 40 40 TYR H H 1 8.230 0.00 . . . . . . 39 TYR H . 26944 1 185 . 1 1 40 40 TYR C C 13 171.526 0.01 . . . . . . 39 TYR C . 26944 1 186 . 1 1 40 40 TYR CA C 13 55.870 0.04 . . . . . . 39 TYR CA . 26944 1 187 . 1 1 40 40 TYR CB C 13 40.762 0.02 . . . . . . 39 TYR CB . 26944 1 188 . 1 1 40 40 TYR N N 15 117.077 0.01 . . . . . . 39 TYR N . 26944 1 189 . 1 1 41 41 ASN H H 1 8.575 0.00 . . . . . . 40 ASN H . 26944 1 190 . 1 1 41 41 ASN C C 13 171.981 0.01 . . . . . . 40 ASN C . 26944 1 191 . 1 1 41 41 ASN CA C 13 53.189 0.03 . . . . . . 40 ASN CA . 26944 1 192 . 1 1 41 41 ASN CB C 13 38.416 0.04 . . . . . . 40 ASN CB . 26944 1 193 . 1 1 41 41 ASN N N 15 119.928 0.02 . . . . . . 40 ASN N . 26944 1 194 . 1 1 42 42 ALA H H 1 7.315 0.00 . . . . . . 41 ALA H . 26944 1 195 . 1 1 42 42 ALA C C 13 177.190 0.01 . . . . . . 41 ALA C . 26944 1 196 . 1 1 42 42 ALA CA C 13 55.133 0.03 . . . . . . 41 ALA CA . 26944 1 197 . 1 1 42 42 ALA CB C 13 21.589 0.04 . . . . . . 41 ALA CB . 26944 1 198 . 1 1 42 42 ALA N N 15 130.957 0.02 . . . . . . 41 ALA N . 26944 1 199 . 1 1 43 43 ASN H H 1 7.680 0.00 . . . . . . 42 ASN H . 26944 1 200 . 1 1 43 43 ASN C C 13 170.775 0.00 . . . . . . 42 ASN C . 26944 1 201 . 1 1 43 43 ASN CA C 13 54.986 0.05 . . . . . . 42 ASN CA . 26944 1 202 . 1 1 43 43 ASN CB C 13 40.532 0.01 . . . . . . 42 ASN CB . 26944 1 203 . 1 1 43 43 ASN N N 15 131.426 0.00 . . . . . . 42 ASN N . 26944 1 204 . 1 1 44 44 PHE H H 1 8.161 0.00 . . . . . . 43 PHE H . 26944 1 205 . 1 1 44 44 PHE C C 13 172.718 0.00 . . . . . . 43 PHE C . 26944 1 206 . 1 1 44 44 PHE CA C 13 57.394 0.05 . . . . . . 43 PHE CA . 26944 1 207 . 1 1 44 44 PHE CB C 13 40.025 0.05 . . . . . . 43 PHE CB . 26944 1 208 . 1 1 44 44 PHE N N 15 107.352 0.02 . . . . . . 43 PHE N . 26944 1 209 . 1 1 45 45 CYS H H 1 8.745 0.00 . . . . . . 44 CYS H . 26944 1 210 . 1 1 45 45 CYS C C 13 173.458 0.01 . . . . . . 44 CYS C . 26944 1 211 . 1 1 45 45 CYS CA C 13 54.443 0.04 . . . . . . 44 CYS CA . 26944 1 212 . 1 1 45 45 CYS CB C 13 42.564 0.03 . . . . . . 44 CYS CB . 26944 1 213 . 1 1 45 45 CYS N N 15 118.914 0.01 . . . . . . 44 CYS N . 26944 1 214 . 1 1 46 46 ALA H H 1 8.087 0.00 . . . . . . 45 ALA H . 26944 1 215 . 1 1 46 46 ALA C C 13 176.382 0.00 . . . . . . 45 ALA C . 26944 1 216 . 1 1 46 46 ALA CA C 13 52.931 0.04 . . . . . . 45 ALA CA . 26944 1 217 . 1 1 46 46 ALA CB C 13 23.522 0.00 . . . . . . 45 ALA CB . 26944 1 218 . 1 1 46 46 ALA N N 15 121.377 0.02 . . . . . . 45 ALA N . 26944 1 219 . 1 1 47 47 GLY H H 1 8.994 0.00 . . . . . . 46 GLY H . 26944 1 220 . 1 1 47 47 GLY C C 13 172.254 0.00 . . . . . . 46 GLY C . 26944 1 221 . 1 1 47 47 GLY CA C 13 43.740 0.02 . . . . . . 46 GLY CA . 26944 1 222 . 1 1 47 47 GLY N N 15 111.944 0.01 . . . . . . 46 GLY N . 26944 1 223 . 1 1 48 48 ALA H H 1 8.003 0.00 . . . . . . 47 ALA H . 26944 1 224 . 1 1 48 48 ALA C C 13 178.298 0.01 . . . . . . 47 ALA C . 26944 1 225 . 1 1 48 48 ALA CA C 13 53.518 0.03 . . . . . . 47 ALA CA . 26944 1 226 . 1 1 48 48 ALA CB C 13 19.850 0.03 . . . . . . 47 ALA CB . 26944 1 227 . 1 1 48 48 ALA N N 15 120.362 0.01 . . . . . . 47 ALA N . 26944 1 228 . 1 1 49 49 CYS H H 1 8.528 0.00 . . . . . . 48 CYS H . 26944 1 229 . 1 1 49 49 CYS C C 13 171.811 0.00 . . . . . . 48 CYS C . 26944 1 230 . 1 1 49 49 CYS CA C 13 53.867 0.00 . . . . . . 48 CYS CA . 26944 1 231 . 1 1 49 49 CYS CB C 13 44.006 0.00 . . . . . . 48 CYS CB . 26944 1 232 . 1 1 49 49 CYS N N 15 120.381 0.01 . . . . . . 48 CYS N . 26944 1 233 . 1 1 50 50 PRO C C 13 175.812 0.00 . . . . . . 49 PRO C . 26944 1 234 . 1 1 50 50 PRO CA C 13 63.048 0.04 . . . . . . 49 PRO CA . 26944 1 235 . 1 1 50 50 PRO CB C 13 31.968 0.00 . . . . . . 49 PRO CB . 26944 1 236 . 1 1 51 51 TYR H H 1 8.248 0.00 . . . . . . 50 TYR H . 26944 1 237 . 1 1 51 51 TYR C C 13 175.837 0.01 . . . . . . 50 TYR C . 26944 1 238 . 1 1 51 51 TYR CA C 13 58.686 0.03 . . . . . . 50 TYR CA . 26944 1 239 . 1 1 51 51 TYR CB C 13 38.809 0.03 . . . . . . 50 TYR CB . 26944 1 240 . 1 1 51 51 TYR N N 15 121.209 0.01 . . . . . . 50 TYR N . 26944 1 241 . 1 1 52 52 ARG H H 1 7.844 0.00 . . . . . . 51 ARG H . 26944 1 242 . 1 1 52 52 ARG C C 13 174.763 0.00 . . . . . . 51 ARG C . 26944 1 243 . 1 1 52 52 ARG CA C 13 55.265 0.05 . . . . . . 51 ARG CA . 26944 1 244 . 1 1 52 52 ARG CB C 13 32.443 0.02 . . . . . . 51 ARG CB . 26944 1 245 . 1 1 52 52 ARG N N 15 124.197 0.01 . . . . . . 51 ARG N . 26944 1 246 . 1 1 53 53 ASN H H 1 8.370 0.00 . . . . . . 52 ASN H . 26944 1 247 . 1 1 53 53 ASN C C 13 177.496 0.00 . . . . . . 52 ASN C . 26944 1 248 . 1 1 53 53 ASN CA C 13 53.478 0.03 . . . . . . 52 ASN CA . 26944 1 249 . 1 1 53 53 ASN CB C 13 18.551 0.01 . . . . . . 52 ASN CB . 26944 1 250 . 1 1 53 53 ASN N N 15 125.149 0.01 . . . . . . 52 ASN N . 26944 1 251 . 1 1 54 54 SER H H 1 8.054 0.00 . . . . . . 53 SER H . 26944 1 252 . 1 1 54 54 SER C C 13 173.930 0.00 . . . . . . 53 SER C . 26944 1 253 . 1 1 54 54 SER CA C 13 60.283 1.55 . . . . . . 53 SER CA . 26944 1 254 . 1 1 54 54 SER CB C 13 63.226 0.03 . . . . . . 53 SER CB . 26944 1 255 . 1 1 54 54 SER N N 15 111.717 0.01 . . . . . . 53 SER N . 26944 1 256 . 1 1 55 55 LYS H H 1 7.867 0.00 . . . . . . 54 LYS H . 26944 1 257 . 1 1 55 55 LYS C C 13 175.323 0.01 . . . . . . 54 LYS C . 26944 1 258 . 1 1 55 55 LYS CA C 13 55.858 0.04 . . . . . . 54 LYS CA . 26944 1 259 . 1 1 55 55 LYS CB C 13 33.639 0.00 . . . . . . 54 LYS CB . 26944 1 260 . 1 1 55 55 LYS N N 15 120.801 0.01 . . . . . . 54 LYS N . 26944 1 261 . 1 1 56 56 SER H H 1 8.422 0.00 . . . . . . 55 SER H . 26944 1 262 . 1 1 56 56 SER C C 13 172.624 0.00 . . . . . . 55 SER C . 26944 1 263 . 1 1 56 56 SER CA C 13 56.146 0.00 . . . . . . 55 SER CA . 26944 1 264 . 1 1 56 56 SER CB C 13 63.263 0.00 . . . . . . 55 SER CB . 26944 1 265 . 1 1 56 56 SER N N 15 118.618 0.01 . . . . . . 55 SER N . 26944 1 266 . 1 1 57 57 PRO C C 13 175.930 0.01 . . . . . . 56 PRO C . 26944 1 267 . 1 1 57 57 PRO CA C 13 62.683 0.03 . . . . . . 56 PRO CA . 26944 1 268 . 1 1 57 57 PRO CB C 13 32.839 0.01 . . . . . . 56 PRO CB . 26944 1 269 . 1 1 58 58 SER H H 1 8.738 0.00 . . . . . . 57 SER H . 26944 1 270 . 1 1 58 58 SER C C 13 172.111 0.01 . . . . . . 57 SER C . 26944 1 271 . 1 1 58 58 SER CA C 13 57.611 0.04 . . . . . . 57 SER CA . 26944 1 272 . 1 1 58 58 SER CB C 13 65.732 0.03 . . . . . . 57 SER CB . 26944 1 273 . 1 1 58 58 SER N N 15 115.744 0.01 . . . . . . 57 SER N . 26944 1 274 . 1 1 59 59 CYS H H 1 8.534 0.00 . . . . . . 58 CYS H . 26944 1 275 . 1 1 59 59 CYS C C 13 173.848 0.00 . . . . . . 58 CYS C . 26944 1 276 . 1 1 59 59 CYS CA C 13 54.738 0.02 . . . . . . 58 CYS CA . 26944 1 277 . 1 1 59 59 CYS CB C 13 36.983 0.03 . . . . . . 58 CYS CB . 26944 1 278 . 1 1 59 59 CYS N N 15 124.543 0.01 . . . . . . 58 CYS N . 26944 1 279 . 1 1 60 60 VAL H H 1 9.284 0.00 . . . . . . 59 VAL H . 26944 1 280 . 1 1 60 60 VAL C C 13 174.533 0.01 . . . . . . 59 VAL C . 26944 1 281 . 1 1 60 60 VAL CA C 13 59.057 0.05 . . . . . . 59 VAL CA . 26944 1 282 . 1 1 60 60 VAL CB C 13 36.890 0.05 . . . . . . 59 VAL CB . 26944 1 283 . 1 1 60 60 VAL N N 15 122.751 0.01 . . . . . . 59 VAL N . 26944 1 284 . 1 1 61 61 SER H H 1 8.281 0.00 . . . . . . 60 SER H . 26944 1 285 . 1 1 61 61 SER C C 13 173.597 0.00 . . . . . . 60 SER C . 26944 1 286 . 1 1 61 61 SER CA C 13 59.282 0.04 . . . . . . 60 SER CA . 26944 1 287 . 1 1 61 61 SER CB C 13 64.439 0.03 . . . . . . 60 SER CB . 26944 1 288 . 1 1 61 61 SER N N 15 114.850 0.01 . . . . . . 60 SER N . 26944 1 289 . 1 1 62 62 GLN H H 1 8.774 0.00 . . . . . . 61 GLN H . 26944 1 290 . 1 1 62 62 GLN C C 13 173.571 0.00 . . . . . . 61 GLN C . 26944 1 291 . 1 1 62 62 GLN CA C 13 56.168 0.00 . . . . . . 61 GLN CA . 26944 1 292 . 1 1 62 62 GLN CB C 13 36.006 10.36 . . . . . . 61 GLN CB . 26944 1 293 . 1 1 62 62 GLN N N 15 122.886 0.02 . . . . . . 61 GLN N . 26944 1 294 . 1 1 63 63 ASP H H 1 7.434 0.00 . . . . . . 62 ASP H . 26944 1 295 . 1 1 63 63 ASP C C 13 174.220 0.01 . . . . . . 62 ASP C . 26944 1 296 . 1 1 63 63 ASP CA C 13 54.452 0.03 . . . . . . 62 ASP CA . 26944 1 297 . 1 1 63 63 ASP CB C 13 42.287 0.03 . . . . . . 62 ASP CB . 26944 1 298 . 1 1 63 63 ASP N N 15 118.005 0.01 . . . . . . 62 ASP N . 26944 1 299 . 1 1 64 64 LEU H H 1 8.501 0.00 . . . . . . 63 LEU H . 26944 1 300 . 1 1 64 64 LEU C C 13 176.622 0.00 . . . . . . 63 LEU C . 26944 1 301 . 1 1 64 64 LEU CA C 13 51.487 3.03 . . . . . . 63 LEU CA . 26944 1 302 . 1 1 64 64 LEU CB C 13 49.046 2.99 . . . . . . 63 LEU CB . 26944 1 303 . 1 1 64 64 LEU N N 15 123.606 0.02 . . . . . . 63 LEU N . 26944 1 304 . 1 1 65 65 GLU H H 1 9.521 0.00 . . . . . . 64 GLU H . 26944 1 305 . 1 1 65 65 GLU C C 13 174.049 0.00 . . . . . . 64 GLU C . 26944 1 306 . 1 1 65 65 GLU CA C 13 53.213 0.00 . . . . . . 64 GLU CA . 26944 1 307 . 1 1 65 65 GLU CB C 13 33.178 0.00 . . . . . . 64 GLU CB . 26944 1 308 . 1 1 65 65 GLU N N 15 121.047 0.01 . . . . . . 64 GLU N . 26944 1 309 . 1 1 66 66 PRO C C 13 174.690 0.01 . . . . . . 65 PRO C . 26944 1 310 . 1 1 66 66 PRO CA C 13 61.901 0.04 . . . . . . 65 PRO CA . 26944 1 311 . 1 1 66 66 PRO CB C 13 34.031 0.03 . . . . . . 65 PRO CB . 26944 1 312 . 1 1 67 67 LEU H H 1 8.468 0.00 . . . . . . 66 LEU H . 26944 1 313 . 1 1 67 67 LEU C C 13 175.528 0.02 . . . . . . 66 LEU C . 26944 1 314 . 1 1 67 67 LEU CA C 13 53.344 0.04 . . . . . . 66 LEU CA . 26944 1 315 . 1 1 67 67 LEU CB C 13 47.497 0.02 . . . . . . 66 LEU CB . 26944 1 316 . 1 1 67 67 LEU N N 15 119.102 0.02 . . . . . . 66 LEU N . 26944 1 317 . 1 1 68 68 THR H H 1 8.574 0.00 . . . . . . 67 THR H . 26944 1 318 . 1 1 68 68 THR C C 13 173.780 0.00 . . . . . . 67 THR C . 26944 1 319 . 1 1 68 68 THR CA C 13 63.564 0.08 . . . . . . 67 THR CA . 26944 1 320 . 1 1 68 68 THR CB C 13 68.953 0.06 . . . . . . 67 THR CB . 26944 1 321 . 1 1 68 68 THR N N 15 125.040 0.02 . . . . . . 67 THR N . 26944 1 322 . 1 1 69 69 ILE H H 1 9.071 0.00 . . . . . . 68 ILE H . 26944 1 323 . 1 1 69 69 ILE C C 13 173.743 0.00 . . . . . . 68 ILE C . 26944 1 324 . 1 1 69 69 ILE CA C 13 58.797 0.04 . . . . . . 68 ILE CA . 26944 1 325 . 1 1 69 69 ILE CB C 13 42.500 0.02 . . . . . . 68 ILE CB . 26944 1 326 . 1 1 69 69 ILE N N 15 120.803 0.01 . . . . . . 68 ILE N . 26944 1 327 . 1 1 70 70 VAL H H 1 8.798 0.00 . . . . . . 69 VAL H . 26944 1 328 . 1 1 70 70 VAL C C 13 175.839 0.01 . . . . . . 69 VAL C . 26944 1 329 . 1 1 70 70 VAL CA C 13 60.630 0.06 . . . . . . 69 VAL CA . 26944 1 330 . 1 1 70 70 VAL CB C 13 34.944 0.01 . . . . . . 69 VAL CB . 26944 1 331 . 1 1 70 70 VAL N N 15 118.976 0.02 . . . . . . 69 VAL N . 26944 1 332 . 1 1 71 71 TYR H H 1 9.020 0.00 . . . . . . 70 TYR H . 26944 1 333 . 1 1 71 71 TYR C C 13 171.586 0.00 . . . . . . 70 TYR C . 26944 1 334 . 1 1 71 71 TYR CA C 13 55.624 0.05 . . . . . . 70 TYR CA . 26944 1 335 . 1 1 71 71 TYR CB C 13 41.492 0.02 . . . . . . 70 TYR CB . 26944 1 336 . 1 1 71 71 TYR N N 15 125.624 0.02 . . . . . . 70 TYR N . 26944 1 337 . 1 1 72 72 TYR H H 1 9.181 0.01 . . . . . . 71 TYR H . 26944 1 338 . 1 1 72 72 TYR C C 13 176.296 0.00 . . . . . . 71 TYR C . 26944 1 339 . 1 1 72 72 TYR CA C 13 57.751 0.05 . . . . . . 71 TYR CA . 26944 1 340 . 1 1 72 72 TYR CB C 13 40.425 0.01 . . . . . . 71 TYR CB . 26944 1 341 . 1 1 72 72 TYR N N 15 119.895 0.01 . . . . . . 71 TYR N . 26944 1 342 . 1 1 73 73 VAL H H 1 8.455 0.00 . . . . . . 72 VAL H . 26944 1 343 . 1 1 73 73 VAL C C 13 177.305 0.01 . . . . . . 72 VAL C . 26944 1 344 . 1 1 73 73 VAL CA C 13 61.820 0.06 . . . . . . 72 VAL CA . 26944 1 345 . 1 1 73 73 VAL CB C 13 32.515 0.03 . . . . . . 72 VAL CB . 26944 1 346 . 1 1 73 73 VAL N N 15 122.491 0.01 . . . . . . 72 VAL N . 26944 1 347 . 1 1 74 74 GLY H H 1 8.984 0.00 . . . . . . 73 GLY H . 26944 1 348 . 1 1 74 74 GLY C C 13 174.837 0.01 . . . . . . 73 GLY C . 26944 1 349 . 1 1 74 74 GLY CA C 13 47.139 0.02 . . . . . . 73 GLY CA . 26944 1 350 . 1 1 74 74 GLY N N 15 118.628 0.01 . . . . . . 73 GLY N . 26944 1 351 . 1 1 75 75 ARG H H 1 8.821 0.00 . . . . . . 74 ARG H . 26944 1 352 . 1 1 75 75 ARG C C 13 175.564 0.01 . . . . . . 74 ARG C . 26944 1 353 . 1 1 75 75 ARG CA C 13 56.289 0.04 . . . . . . 74 ARG CA . 26944 1 354 . 1 1 75 75 ARG CB C 13 29.867 0.03 . . . . . . 74 ARG CB . 26944 1 355 . 1 1 75 75 ARG N N 15 121.388 0.02 . . . . . . 74 ARG N . 26944 1 356 . 1 1 76 76 LYS H H 1 7.871 0.00 . . . . . . 75 LYS H . 26944 1 357 . 1 1 76 76 LYS C C 13 173.305 0.00 . . . . . . 75 LYS C . 26944 1 358 . 1 1 76 76 LYS CA C 13 53.229 0.00 . . . . . . 75 LYS CA . 26944 1 359 . 1 1 76 76 LYS CB C 13 34.102 0.00 . . . . . . 75 LYS CB . 26944 1 360 . 1 1 76 76 LYS N N 15 121.269 0.01 . . . . . . 75 LYS N . 26944 1 361 . 1 1 77 77 PRO C C 13 176.004 0.00 . . . . . . 76 PRO C . 26944 1 362 . 1 1 77 77 PRO CA C 13 61.955 0.06 . . . . . . 76 PRO CA . 26944 1 363 . 1 1 77 77 PRO CB C 13 31.601 0.02 . . . . . . 76 PRO CB . 26944 1 364 . 1 1 78 78 LYS H H 1 8.840 0.00 . . . . . . 77 LYS H . 26944 1 365 . 1 1 78 78 LYS C C 13 173.342 0.01 . . . . . . 77 LYS C . 26944 1 366 . 1 1 78 78 LYS CA C 13 54.658 0.04 . . . . . . 77 LYS CA . 26944 1 367 . 1 1 78 78 LYS CB C 13 34.344 0.03 . . . . . . 77 LYS CB . 26944 1 368 . 1 1 78 78 LYS N N 15 124.849 0.01 . . . . . . 77 LYS N . 26944 1 369 . 1 1 79 79 VAL H H 1 7.927 0.00 . . . . . . 78 VAL H . 26944 1 370 . 1 1 79 79 VAL C C 13 176.428 0.01 . . . . . . 78 VAL C . 26944 1 371 . 1 1 79 79 VAL CA C 13 60.927 0.05 . . . . . . 78 VAL CA . 26944 1 372 . 1 1 79 79 VAL CB C 13 33.091 0.06 . . . . . . 78 VAL CB . 26944 1 373 . 1 1 79 79 VAL N N 15 122.738 0.01 . . . . . . 78 VAL N . 26944 1 374 . 1 1 80 80 GLU H H 1 9.039 0.00 . . . . . . 79 GLU H . 26944 1 375 . 1 1 80 80 GLU C C 13 173.645 0.00 . . . . . . 79 GLU C . 26944 1 376 . 1 1 80 80 GLU CA C 13 54.578 0.04 . . . . . . 79 GLU CA . 26944 1 377 . 1 1 80 80 GLU CB C 13 34.496 0.01 . . . . . . 79 GLU CB . 26944 1 378 . 1 1 80 80 GLU N N 15 127.213 0.02 . . . . . . 79 GLU N . 26944 1 379 . 1 1 81 81 GLN H H 1 8.755 0.00 . . . . . . 80 GLN H . 26944 1 380 . 1 1 81 81 GLN C C 13 175.273 0.01 . . . . . . 80 GLN C . 26944 1 381 . 1 1 81 81 GLN CA C 13 54.976 0.04 . . . . . . 80 GLN CA . 26944 1 382 . 1 1 81 81 GLN CB C 13 30.584 0.01 . . . . . . 80 GLN CB . 26944 1 383 . 1 1 81 81 GLN N N 15 121.877 0.01 . . . . . . 80 GLN N . 26944 1 384 . 1 1 82 82 LEU H H 1 9.196 0.00 . . . . . . 81 LEU H . 26944 1 385 . 1 1 82 82 LEU C C 13 176.131 0.00 . . . . . . 81 LEU C . 26944 1 386 . 1 1 82 82 LEU CA C 13 53.296 0.02 . . . . . . 81 LEU CA . 26944 1 387 . 1 1 82 82 LEU CB C 13 42.701 0.02 . . . . . . 81 LEU CB . 26944 1 388 . 1 1 82 82 LEU N N 15 126.814 0.01 . . . . . . 81 LEU N . 26944 1 389 . 1 1 83 83 SER H H 1 8.568 0.00 . . . . . . 82 SER H . 26944 1 390 . 1 1 83 83 SER C C 13 174.327 0.02 . . . . . . 82 SER C . 26944 1 391 . 1 1 83 83 SER CA C 13 59.512 0.08 . . . . . . 82 SER CA . 26944 1 392 . 1 1 83 83 SER CB C 13 63.839 0.05 . . . . . . 82 SER CB . 26944 1 393 . 1 1 83 83 SER N N 15 119.245 0.01 . . . . . . 82 SER N . 26944 1 394 . 1 1 84 84 ASN H H 1 8.680 0.00 . . . . . . 83 ASN H . 26944 1 395 . 1 1 84 84 ASN C C 13 173.172 0.01 . . . . . . 83 ASN C . 26944 1 396 . 1 1 84 84 ASN CA C 13 54.606 0.07 . . . . . . 83 ASN CA . 26944 1 397 . 1 1 84 84 ASN CB C 13 36.316 0.02 . . . . . . 83 ASN CB . 26944 1 398 . 1 1 84 84 ASN N N 15 115.378 0.01 . . . . . . 83 ASN N . 26944 1 399 . 1 1 85 85 MET H H 1 7.181 0.00 . . . . . . 84 MET H . 26944 1 400 . 1 1 85 85 MET C C 13 175.909 0.01 . . . . . . 84 MET C . 26944 1 401 . 1 1 85 85 MET CA C 13 55.159 0.03 . . . . . . 84 MET CA . 26944 1 402 . 1 1 85 85 MET CB C 13 34.675 0.05 . . . . . . 84 MET CB . 26944 1 403 . 1 1 85 85 MET N N 15 113.720 0.02 . . . . . . 84 MET N . 26944 1 404 . 1 1 86 86 ILE H H 1 8.573 0.00 . . . . . . 85 ILE H . 26944 1 405 . 1 1 86 86 ILE C C 13 175.347 0.01 . . . . . . 85 ILE C . 26944 1 406 . 1 1 86 86 ILE CA C 13 60.578 0.01 . . . . . . 85 ILE CA . 26944 1 407 . 1 1 86 86 ILE CB C 13 41.859 0.02 . . . . . . 85 ILE CB . 26944 1 408 . 1 1 86 86 ILE N N 15 120.439 0.01 . . . . . . 85 ILE N . 26944 1 409 . 1 1 87 87 VAL H H 1 9.513 0.00 . . . . . . 86 VAL H . 26944 1 410 . 1 1 87 87 VAL C C 13 174.983 0.01 . . . . . . 86 VAL C . 26944 1 411 . 1 1 87 87 VAL CA C 13 63.086 0.06 . . . . . . 86 VAL CA . 26944 1 412 . 1 1 87 87 VAL CB C 13 31.928 0.03 . . . . . . 86 VAL CB . 26944 1 413 . 1 1 87 87 VAL N N 15 127.805 0.00 . . . . . . 86 VAL N . 26944 1 414 . 1 1 88 88 LYS H H 1 8.836 0.00 . . . . . . 87 LYS H . 26944 1 415 . 1 1 88 88 LYS C C 13 176.197 0.01 . . . . . . 87 LYS C . 26944 1 416 . 1 1 88 88 LYS CA C 13 55.290 0.01 . . . . . . 87 LYS CA . 26944 1 417 . 1 1 88 88 LYS CB C 13 34.407 0.01 . . . . . . 87 LYS CB . 26944 1 418 . 1 1 88 88 LYS N N 15 125.546 0.02 . . . . . . 87 LYS N . 26944 1 419 . 1 1 89 89 SER H H 1 7.945 0.00 . . . . . . 88 SER H . 26944 1 420 . 1 1 89 89 SER C C 13 173.625 0.00 . . . . . . 88 SER C . 26944 1 421 . 1 1 89 89 SER CA C 13 57.477 0.06 . . . . . . 88 SER CA . 26944 1 422 . 1 1 89 89 SER CB C 13 65.564 0.03 . . . . . . 88 SER CB . 26944 1 423 . 1 1 89 89 SER N N 15 110.783 0.01 . . . . . . 88 SER N . 26944 1 424 . 1 1 90 90 CYS H H 1 8.024 0.00 . . . . . . 89 CYS H . 26944 1 425 . 1 1 90 90 CYS C C 13 172.171 0.00 . . . . . . 89 CYS C . 26944 1 426 . 1 1 90 90 CYS CA C 13 53.888 0.03 . . . . . . 89 CYS CA . 26944 1 427 . 1 1 90 90 CYS CB C 13 44.402 0.03 . . . . . . 89 CYS CB . 26944 1 428 . 1 1 90 90 CYS N N 15 117.553 0.01 . . . . . . 89 CYS N . 26944 1 429 . 1 1 91 91 LYS H H 1 9.437 0.00 . . . . . . 90 LYS H . 26944 1 430 . 1 1 91 91 LYS C C 13 173.384 0.01 . . . . . . 90 LYS C . 26944 1 431 . 1 1 91 91 LYS CA C 13 55.550 0.01 . . . . . . 90 LYS CA . 26944 1 432 . 1 1 91 91 LYS CB C 13 35.320 0.02 . . . . . . 90 LYS CB . 26944 1 433 . 1 1 91 91 LYS N N 15 117.274 0.00 . . . . . . 90 LYS N . 26944 1 434 . 1 1 92 92 CYS H H 1 8.410 0.00 . . . . . . 91 CYS H . 26944 1 435 . 1 1 92 92 CYS C C 13 175.182 0.01 . . . . . . 91 CYS C . 26944 1 436 . 1 1 92 92 CYS CA C 13 56.037 0.03 . . . . . . 91 CYS CA . 26944 1 437 . 1 1 92 92 CYS CB C 13 42.495 0.01 . . . . . . 91 CYS CB . 26944 1 438 . 1 1 92 92 CYS N N 15 118.452 0.01 . . . . . . 91 CYS N . 26944 1 439 . 1 1 93 93 SER H H 1 9.199 0.00 . . . . . . 92 SER H . 26944 1 440 . 1 1 93 93 SER C C 13 178.365 0.00 . . . . . . 92 SER C . 26944 1 441 . 1 1 93 93 SER CA C 13 59.869 0.00 . . . . . . 92 SER CA . 26944 1 442 . 1 1 93 93 SER CB C 13 65.893 0.00 . . . . . . 92 SER CB . 26944 1 443 . 1 1 93 93 SER N N 15 125.644 0.00 . . . . . . 92 SER N . 26944 1 stop_ save_