################################### # 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 26943 _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' . . . 26943 1 2 '3D CBCA(CO)NH' . . . 26943 1 3 '3D HNCACB' . . . 26943 1 4 '3D HNCO' . . . 26943 1 5 '3D HN(CA)CO' . . . 26943 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 . . 26943 1 2 $SPARKY . . 26943 1 3 $PINE . . 26943 1 4 $TOPSPIN . . 26943 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 8.098 0.00 . . . . . . 1 ALA H . 26943 1 2 . 1 1 2 2 ALA C C 13 173.343 0.01 . . . . . . 1 ALA C . 26943 1 3 . 1 1 2 2 ALA CA C 13 51.706 0.10 . . . . . . 1 ALA CA . 26943 1 4 . 1 1 2 2 ALA CB C 13 19.562 0.07 . . . . . . 1 ALA CB . 26943 1 5 . 1 1 2 2 ALA N N 15 125.168 0.00 . . . . . . 1 ALA N . 26943 1 6 . 1 1 3 3 LEU H H 1 8.704 0.03 . . . . . . 2 LEU H . 26943 1 7 . 1 1 3 3 LEU C C 13 174.879 0.01 . . . . . . 2 LEU C . 26943 1 8 . 1 1 3 3 LEU CA C 13 53.357 0.06 . . . . . . 2 LEU CA . 26943 1 9 . 1 1 3 3 LEU CB C 13 39.734 0.06 . . . . . . 2 LEU CB . 26943 1 10 . 1 1 3 3 LEU N N 15 121.176 0.03 . . . . . . 2 LEU N . 26943 1 11 . 1 1 4 4 ASP H H 1 7.778 0.01 . . . . . . 3 ASP H . 26943 1 12 . 1 1 4 4 ASP C C 13 175.984 0.01 . . . . . . 3 ASP C . 26943 1 13 . 1 1 4 4 ASP CA C 13 51.497 0.04 . . . . . . 3 ASP CA . 26943 1 14 . 1 1 4 4 ASP CB C 13 42.994 0.02 . . . . . . 3 ASP CB . 26943 1 15 . 1 1 4 4 ASP N N 15 121.429 0.08 . . . . . . 3 ASP N . 26943 1 16 . 1 1 5 5 ALA H H 1 8.550 0.03 . . . . . . 4 ALA H . 26943 1 17 . 1 1 5 5 ALA C C 13 179.241 0.01 . . . . . . 4 ALA C . 26943 1 18 . 1 1 5 5 ALA CA C 13 55.576 0.17 . . . . . . 4 ALA CA . 26943 1 19 . 1 1 5 5 ALA CB C 13 18.843 0.11 . . . . . . 4 ALA CB . 26943 1 20 . 1 1 5 5 ALA N N 15 122.998 0.01 . . . . . . 4 ALA N . 26943 1 21 . 1 1 6 6 ALA H H 1 7.684 0.02 . . . . . . 5 ALA H . 26943 1 22 . 1 1 6 6 ALA C C 13 179.179 0.01 . . . . . . 5 ALA C . 26943 1 23 . 1 1 6 6 ALA CA C 13 54.778 0.06 . . . . . . 5 ALA CA . 26943 1 24 . 1 1 6 6 ALA CB C 13 18.198 0.10 . . . . . . 5 ALA CB . 26943 1 25 . 1 1 6 6 ALA N N 15 119.292 0.04 . . . . . . 5 ALA N . 26943 1 26 . 1 1 7 7 TYR H H 1 7.669 0.00 . . . . . . 6 TYR H . 26943 1 27 . 1 1 7 7 TYR C C 13 178.333 0.02 . . . . . . 6 TYR C . 26943 1 28 . 1 1 7 7 TYR CA C 13 60.415 0.06 . . . . . . 6 TYR CA . 26943 1 29 . 1 1 7 7 TYR CB C 13 40.385 0.02 . . . . . . 6 TYR CB . 26943 1 30 . 1 1 7 7 TYR N N 15 115.415 0.12 . . . . . . 6 TYR N . 26943 1 31 . 1 1 8 8 CYS H H 1 8.883 0.02 . . . . . . 7 CYS H . 26943 1 32 . 1 1 8 8 CYS C C 13 176.412 0.01 . . . . . . 7 CYS C . 26943 1 33 . 1 1 8 8 CYS CA C 13 57.487 0.33 . . . . . . 7 CYS CA . 26943 1 34 . 1 1 8 8 CYS CB C 13 40.508 0.01 . . . . . . 7 CYS CB . 26943 1 35 . 1 1 8 8 CYS N N 15 115.148 0.06 . . . . . . 7 CYS N . 26943 1 36 . 1 1 9 9 PHE H H 1 8.465 0.02 . . . . . . 8 PHE H . 26943 1 37 . 1 1 9 9 PHE C C 13 176.676 0.03 . . . . . . 8 PHE C . 26943 1 38 . 1 1 9 9 PHE CA C 13 56.340 0.04 . . . . . . 8 PHE CA . 26943 1 39 . 1 1 9 9 PHE CB C 13 35.925 0.08 . . . . . . 8 PHE CB . 26943 1 40 . 1 1 9 9 PHE N N 15 117.153 0.18 . . . . . . 8 PHE N . 26943 1 41 . 1 1 10 10 ARG H H 1 7.141 0.03 . . . . . . 9 ARG H . 26943 1 42 . 1 1 10 10 ARG C C 13 175.044 0.01 . . . . . . 9 ARG C . 26943 1 43 . 1 1 10 10 ARG CA C 13 56.614 0.14 . . . . . . 9 ARG CA . 26943 1 44 . 1 1 10 10 ARG CB C 13 31.102 0.05 . . . . . . 9 ARG CB . 26943 1 45 . 1 1 10 10 ARG N N 15 116.452 0.14 . . . . . . 9 ARG N . 26943 1 46 . 1 1 11 11 ASN H H 1 7.407 0.03 . . . . . . 10 ASN H . 26943 1 47 . 1 1 11 11 ASN C C 13 173.384 0.00 . . . . . . 10 ASN C . 26943 1 48 . 1 1 11 11 ASN CA C 13 52.610 0.08 . . . . . . 10 ASN CA . 26943 1 49 . 1 1 11 11 ASN CB C 13 39.595 0.03 . . . . . . 10 ASN CB . 26943 1 50 . 1 1 11 11 ASN N N 15 117.951 0.01 . . . . . . 10 ASN N . 26943 1 51 . 1 1 12 12 VAL H H 1 8.163 0.07 . . . . . . 11 VAL H . 26943 1 52 . 1 1 12 12 VAL C C 13 175.744 0.72 . . . . . . 11 VAL C . 26943 1 53 . 1 1 12 12 VAL CA C 13 63.695 0.02 . . . . . . 11 VAL CA . 26943 1 54 . 1 1 12 12 VAL CB C 13 31.498 0.03 . . . . . . 11 VAL CB . 26943 1 55 . 1 1 12 12 VAL N N 15 121.920 0.17 . . . . . . 11 VAL N . 26943 1 56 . 1 1 13 13 GLN H H 1 8.478 0.03 . . . . . . 12 GLN H . 26943 1 57 . 1 1 13 13 GLN C C 13 175.599 0.01 . . . . . . 12 GLN C . 26943 1 58 . 1 1 13 13 GLN CA C 13 54.616 0.09 . . . . . . 12 GLN CA . 26943 1 59 . 1 1 13 13 GLN CB C 13 31.349 0.06 . . . . . . 12 GLN CB . 26943 1 60 . 1 1 13 13 GLN N N 15 124.416 0.17 . . . . . . 12 GLN N . 26943 1 61 . 1 1 14 14 ASP H H 1 8.707 0.03 . . . . . . 13 ASP H . 26943 1 62 . 1 1 14 14 ASP C C 13 177.048 0.01 . . . . . . 13 ASP C . 26943 1 63 . 1 1 14 14 ASP CA C 13 55.434 0.04 . . . . . . 13 ASP CA . 26943 1 64 . 1 1 14 14 ASP CB C 13 41.098 0.06 . . . . . . 13 ASP CB . 26943 1 65 . 1 1 14 14 ASP N N 15 120.949 0.02 . . . . . . 13 ASP N . 26943 1 66 . 1 1 15 15 ASN H H 1 7.637 0.01 . . . . . . 14 ASN H . 26943 1 67 . 1 1 15 15 ASN C C 13 174.074 0.01 . . . . . . 14 ASN C . 26943 1 68 . 1 1 15 15 ASN CA C 13 53.696 0.12 . . . . . . 14 ASN CA . 26943 1 69 . 1 1 15 15 ASN CB C 13 39.485 0.04 . . . . . . 14 ASN CB . 26943 1 70 . 1 1 15 15 ASN N N 15 117.393 0.04 . . . . . . 14 ASN N . 26943 1 71 . 1 1 16 16 CYS H H 1 8.590 0.03 . . . . . . 15 CYS H . 26943 1 72 . 1 1 16 16 CYS C C 13 172.228 0.02 . . . . . . 15 CYS C . 26943 1 73 . 1 1 16 16 CYS CA C 13 55.469 0.09 . . . . . . 15 CYS CA . 26943 1 74 . 1 1 16 16 CYS CB C 13 35.279 0.06 . . . . . . 15 CYS CB . 26943 1 75 . 1 1 16 16 CYS N N 15 116.153 0.09 . . . . . . 15 CYS N . 26943 1 76 . 1 1 17 17 CYS H H 1 8.090 0.00 . . . . . . 16 CYS H . 26943 1 77 . 1 1 17 17 CYS C C 13 171.253 0.02 . . . . . . 16 CYS C . 26943 1 78 . 1 1 17 17 CYS CA C 13 59.374 0.07 . . . . . . 16 CYS CA . 26943 1 79 . 1 1 17 17 CYS CB C 13 39.611 0.07 . . . . . . 16 CYS CB . 26943 1 80 . 1 1 17 17 CYS N N 15 124.890 0.06 . . . . . . 16 CYS N . 26943 1 81 . 1 1 18 18 LEU H H 1 7.633 0.00 . . . . . . 17 LEU H . 26943 1 82 . 1 1 18 18 LEU C C 13 174.558 0.01 . . . . . . 17 LEU C . 26943 1 83 . 1 1 18 18 LEU CA C 13 55.696 0.04 . . . . . . 17 LEU CA . 26943 1 84 . 1 1 18 18 LEU CB C 13 43.979 0.06 . . . . . . 17 LEU CB . 26943 1 85 . 1 1 18 18 LEU N N 15 125.468 0.02 . . . . . . 17 LEU N . 26943 1 86 . 1 1 19 19 ARG H H 1 9.140 0.01 . . . . . . 18 ARG H . 26943 1 87 . 1 1 19 19 ARG C C 13 172.983 0.00 . . . . . . 18 ARG C . 26943 1 88 . 1 1 19 19 ARG CA C 13 50.712 0.00 . . . . . . 18 ARG CA . 26943 1 89 . 1 1 19 19 ARG CB C 13 29.838 0.00 . . . . . . 18 ARG CB . 26943 1 90 . 1 1 19 19 ARG N N 15 125.742 0.02 . . . . . . 18 ARG N . 26943 1 91 . 1 1 20 20 PRO C C 13 176.968 0.00 . . . . . . 19 PRO C . 26943 1 92 . 1 1 20 20 PRO CA C 13 62.186 0.00 . . . . . . 19 PRO CA . 26943 1 93 . 1 1 20 20 PRO CB C 13 31.885 0.03 . . . . . . 19 PRO CB . 26943 1 94 . 1 1 21 21 LEU H H 1 7.700 0.00 . . . . . . 20 LEU H . 26943 1 95 . 1 1 21 21 LEU C C 13 173.395 0.01 . . . . . . 20 LEU C . 26943 1 96 . 1 1 21 21 LEU CA C 13 56.853 0.07 . . . . . . 20 LEU CA . 26943 1 97 . 1 1 21 21 LEU CB C 13 44.845 0.09 . . . . . . 20 LEU CB . 26943 1 98 . 1 1 21 21 LEU N N 15 119.040 0.01 . . . . . . 20 LEU N . 26943 1 99 . 1 1 22 22 TYR H H 1 8.658 0.03 . . . . . . 21 TYR H . 26943 1 100 . 1 1 22 22 TYR C C 13 173.738 0.01 . . . . . . 21 TYR C . 26943 1 101 . 1 1 22 22 TYR CA C 13 57.096 0.06 . . . . . . 21 TYR CA . 26943 1 102 . 1 1 22 22 TYR CB C 13 39.721 0.04 . . . . . . 21 TYR CB . 26943 1 103 . 1 1 22 22 TYR N N 15 131.314 0.03 . . . . . . 21 TYR N . 26943 1 104 . 1 1 23 23 ILE H H 1 7.798 0.01 . . . . . . 22 ILE H . 26943 1 105 . 1 1 23 23 ILE C C 13 172.420 0.01 . . . . . . 22 ILE C . 26943 1 106 . 1 1 23 23 ILE CA C 13 58.147 0.19 . . . . . . 22 ILE CA . 26943 1 107 . 1 1 23 23 ILE CB C 13 39.295 0.16 . . . . . . 22 ILE CB . 26943 1 108 . 1 1 23 23 ILE N N 15 127.766 0.02 . . . . . . 22 ILE N . 26943 1 109 . 1 1 24 24 ASP H H 1 9.073 0.01 . . . . . . 23 ASP H . 26943 1 110 . 1 1 24 24 ASP C C 13 177.235 0.01 . . . . . . 23 ASP C . 26943 1 111 . 1 1 24 24 ASP CA C 13 52.685 0.09 . . . . . . 23 ASP CA . 26943 1 112 . 1 1 24 24 ASP CB C 13 44.370 0.07 . . . . . . 23 ASP CB . 26943 1 113 . 1 1 24 24 ASP N N 15 127.766 0.02 . . . . . . 23 ASP N . 26943 1 114 . 1 1 25 25 PHE H H 1 8.210 0.00 . . . . . . 24 PHE H . 26943 1 115 . 1 1 25 25 PHE C C 13 178.093 0.01 . . . . . . 24 PHE C . 26943 1 116 . 1 1 25 25 PHE CA C 13 63.876 0.06 . . . . . . 24 PHE CA . 26943 1 117 . 1 1 25 25 PHE CB C 13 38.605 0.05 . . . . . . 24 PHE CB . 26943 1 118 . 1 1 25 25 PHE N N 15 125.227 0.03 . . . . . . 24 PHE N . 26943 1 119 . 1 1 26 26 LYS H H 1 8.789 0.02 . . . . . . 25 LYS H . 26943 1 120 . 1 1 26 26 LYS C C 13 178.401 0.01 . . . . . . 25 LYS C . 26943 1 121 . 1 1 26 26 LYS CA C 13 60.689 0.05 . . . . . . 25 LYS CA . 26943 1 122 . 1 1 26 26 LYS CB C 13 32.805 0.05 . . . . . . 25 LYS CB . 26943 1 123 . 1 1 26 26 LYS N N 15 120.297 0.05 . . . . . . 25 LYS N . 26943 1 124 . 1 1 27 27 ARG H H 1 8.872 0.01 . . . . . . 26 ARG H . 26943 1 125 . 1 1 27 27 ARG C C 13 177.552 0.00 . . . . . . 26 ARG C . 26943 1 126 . 1 1 27 27 ARG CA C 13 59.021 0.07 . . . . . . 26 ARG CA . 26943 1 127 . 1 1 27 27 ARG CB C 13 31.490 0.07 . . . . . . 26 ARG CB . 26943 1 128 . 1 1 27 27 ARG N N 15 119.557 0.01 . . . . . . 26 ARG N . 26943 1 129 . 1 1 28 28 ASP H H 1 8.389 0.01 . . . . . . 27 ASP H . 26943 1 130 . 1 1 28 28 ASP C C 13 176.757 0.00 . . . . . . 27 ASP C . 26943 1 131 . 1 1 28 28 ASP CA C 13 56.717 0.08 . . . . . . 27 ASP CA . 26943 1 132 . 1 1 28 28 ASP CB C 13 41.626 0.04 . . . . . . 27 ASP CB . 26943 1 133 . 1 1 28 28 ASP N N 15 113.395 0.07 . . . . . . 27 ASP N . 26943 1 134 . 1 1 29 29 CYS H H 1 6.563 0.02 . . . . . . 28 CYS H . 26943 1 135 . 1 1 29 29 CYS C C 13 176.730 0.05 . . . . . . 28 CYS C . 26943 1 136 . 1 1 29 29 CYS CA C 13 54.273 0.01 . . . . . . 28 CYS CA . 26943 1 137 . 1 1 29 29 CYS CB C 13 41.706 0.02 . . . . . . 28 CYS CB . 26943 1 138 . 1 1 29 29 CYS N N 15 113.666 0.03 . . . . . . 28 CYS N . 26943 1 139 . 1 1 30 30 GLY H H 1 7.248 0.00 . . . . . . 29 GLY H . 26943 1 140 . 1 1 30 30 GLY C C 13 175.707 0.02 . . . . . . 29 GLY C . 26943 1 141 . 1 1 30 30 GLY CA C 13 46.376 0.05 . . . . . . 29 GLY CA . 26943 1 142 . 1 1 30 30 GLY N N 15 106.528 0.02 . . . . . . 29 GLY N . 26943 1 143 . 1 1 31 31 TRP H H 1 7.967 0.00 . . . . . . 30 TRP H . 26943 1 144 . 1 1 31 31 TRP C C 13 176.175 0.00 . . . . . . 30 TRP C . 26943 1 145 . 1 1 31 31 TRP CA C 13 54.343 0.06 . . . . . . 30 TRP CA . 26943 1 146 . 1 1 31 31 TRP CB C 13 29.069 0.06 . . . . . . 30 TRP CB . 26943 1 147 . 1 1 31 31 TRP N N 15 122.890 0.07 . . . . . . 30 TRP N . 26943 1 148 . 1 1 32 32 LYS H H 1 8.557 0.06 . . . . . . 31 LYS H . 26943 1 149 . 1 1 32 32 LYS C C 13 175.886 0.01 . . . . . . 31 LYS C . 26943 1 150 . 1 1 32 32 LYS CA C 13 57.455 0.00 . . . . . . 31 LYS CA . 26943 1 151 . 1 1 32 32 LYS CB C 13 32.675 0.09 . . . . . . 31 LYS CB . 26943 1 152 . 1 1 32 32 LYS N N 15 121.412 0.02 . . . . . . 31 LYS N . 26943 1 153 . 1 1 33 33 TRP H H 1 7.160 0.01 . . . . . . 32 TRP H . 26943 1 154 . 1 1 33 33 TRP C C 13 175.878 0.00 . . . . . . 32 TRP C . 26943 1 155 . 1 1 33 33 TRP CA C 13 56.281 0.06 . . . . . . 32 TRP CA . 26943 1 156 . 1 1 33 33 TRP CB C 13 29.058 0.04 . . . . . . 32 TRP CB . 26943 1 157 . 1 1 33 33 TRP N N 15 114.958 0.02 . . . . . . 32 TRP N . 26943 1 158 . 1 1 34 34 ILE H H 1 6.759 0.01 . . . . . . 33 ILE H . 26943 1 159 . 1 1 34 34 ILE C C 13 175.625 0.01 . . . . . . 33 ILE C . 26943 1 160 . 1 1 34 34 ILE CA C 13 62.802 0.05 . . . . . . 33 ILE CA . 26943 1 161 . 1 1 34 34 ILE CB C 13 37.885 0.10 . . . . . . 33 ILE CB . 26943 1 162 . 1 1 34 34 ILE N N 15 121.605 0.10 . . . . . . 33 ILE N . 26943 1 163 . 1 1 35 35 HIS H H 1 9.015 0.01 . . . . . . 34 HIS H . 26943 1 164 . 1 1 35 35 HIS C C 13 174.669 0.00 . . . . . . 34 HIS C . 26943 1 165 . 1 1 35 35 HIS CA C 13 58.608 0.20 . . . . . . 34 HIS CA . 26943 1 166 . 1 1 35 35 HIS CB C 13 31.424 0.15 . . . . . . 34 HIS CB . 26943 1 167 . 1 1 35 35 HIS N N 15 127.291 0.02 . . . . . . 34 HIS N . 26943 1 168 . 1 1 36 36 GLU H H 1 7.997 0.00 . . . . . . 35 GLU H . 26943 1 169 . 1 1 36 36 GLU C C 13 173.302 0.00 . . . . . . 35 GLU C . 26943 1 170 . 1 1 36 36 GLU CA C 13 53.933 0.00 . . . . . . 35 GLU CA . 26943 1 171 . 1 1 36 36 GLU CB C 13 34.646 0.00 . . . . . . 35 GLU CB . 26943 1 172 . 1 1 36 36 GLU N N 15 116.121 0.12 . . . . . . 35 GLU N . 26943 1 173 . 1 1 37 37 PRO C C 13 175.483 0.01 . . . . . . 36 PRO C . 26943 1 174 . 1 1 37 37 PRO CA C 13 62.814 0.00 . . . . . . 36 PRO CA . 26943 1 175 . 1 1 37 37 PRO CB C 13 34.797 0.05 . . . . . . 36 PRO CB . 26943 1 176 . 1 1 38 38 LYS H H 1 8.804 0.03 . . . . . . 37 LYS H . 26943 1 177 . 1 1 38 38 LYS C C 13 177.230 0.00 . . . . . . 37 LYS C . 26943 1 178 . 1 1 38 38 LYS CA C 13 57.931 0.10 . . . . . . 37 LYS CA . 26943 1 179 . 1 1 38 38 LYS CB C 13 32.520 0.11 . . . . . . 37 LYS CB . 26943 1 180 . 1 1 38 38 LYS N N 15 116.489 0.03 . . . . . . 37 LYS N . 26943 1 181 . 1 1 39 39 GLY H H 1 7.714 0.00 . . . . . . 38 GLY H . 26943 1 182 . 1 1 39 39 GLY C C 13 170.429 0.00 . . . . . . 38 GLY C . 26943 1 183 . 1 1 39 39 GLY CA C 13 46.083 0.01 . . . . . . 38 GLY CA . 26943 1 184 . 1 1 39 39 GLY N N 15 105.837 0.03 . . . . . . 38 GLY N . 26943 1 185 . 1 1 40 40 TYR H H 1 8.237 0.00 . . . . . . 39 TYR H . 26943 1 186 . 1 1 40 40 TYR C C 13 171.515 0.02 . . . . . . 39 TYR C . 26943 1 187 . 1 1 40 40 TYR CA C 13 55.942 0.10 . . . . . . 39 TYR CA . 26943 1 188 . 1 1 40 40 TYR CB C 13 40.797 0.05 . . . . . . 39 TYR CB . 26943 1 189 . 1 1 40 40 TYR N N 15 116.968 0.06 . . . . . . 39 TYR N . 26943 1 190 . 1 1 41 41 ASN H H 1 8.560 0.02 . . . . . . 40 ASN H . 26943 1 191 . 1 1 41 41 ASN C C 13 171.854 0.00 . . . . . . 40 ASN C . 26943 1 192 . 1 1 41 41 ASN CA C 13 53.368 0.05 . . . . . . 40 ASN CA . 26943 1 193 . 1 1 41 41 ASN CB C 13 38.482 0.04 . . . . . . 40 ASN CB . 26943 1 194 . 1 1 41 41 ASN N N 15 119.827 0.07 . . . . . . 40 ASN N . 26943 1 195 . 1 1 42 42 ALA H H 1 7.313 0.01 . . . . . . 41 ALA H . 26943 1 196 . 1 1 42 42 ALA C C 13 177.112 0.01 . . . . . . 41 ALA C . 26943 1 197 . 1 1 42 42 ALA CA C 13 55.340 0.04 . . . . . . 41 ALA CA . 26943 1 198 . 1 1 42 42 ALA CB C 13 21.823 0.07 . . . . . . 41 ALA CB . 26943 1 199 . 1 1 42 42 ALA N N 15 130.963 0.03 . . . . . . 41 ALA N . 26943 1 200 . 1 1 43 43 ASN H H 1 7.679 0.02 . . . . . . 42 ASN H . 26943 1 201 . 1 1 43 43 ASN C C 13 170.889 0.01 . . . . . . 42 ASN C . 26943 1 202 . 1 1 43 43 ASN CA C 13 55.263 0.08 . . . . . . 42 ASN CA . 26943 1 203 . 1 1 43 43 ASN CB C 13 40.612 0.03 . . . . . . 42 ASN CB . 26943 1 204 . 1 1 43 43 ASN N N 15 131.377 0.03 . . . . . . 42 ASN N . 26943 1 205 . 1 1 44 44 PHE H H 1 8.145 0.00 . . . . . . 43 PHE H . 26943 1 206 . 1 1 44 44 PHE C C 13 172.609 0.01 . . . . . . 43 PHE C . 26943 1 207 . 1 1 44 44 PHE CA C 13 57.473 0.04 . . . . . . 43 PHE CA . 26943 1 208 . 1 1 44 44 PHE CB C 13 40.108 0.08 . . . . . . 43 PHE CB . 26943 1 209 . 1 1 44 44 PHE N N 15 107.250 0.05 . . . . . . 43 PHE N . 26943 1 210 . 1 1 45 45 CYS H H 1 8.783 0.04 . . . . . . 44 CYS H . 26943 1 211 . 1 1 45 45 CYS C C 13 173.446 0.01 . . . . . . 44 CYS C . 26943 1 212 . 1 1 45 45 CYS CA C 13 54.559 0.07 . . . . . . 44 CYS CA . 26943 1 213 . 1 1 45 45 CYS CB C 13 42.618 0.07 . . . . . . 44 CYS CB . 26943 1 214 . 1 1 45 45 CYS N N 15 118.889 0.07 . . . . . . 44 CYS N . 26943 1 215 . 1 1 46 46 ALA H H 1 24.890 50.51 . . . . . . 45 ALA H . 26943 1 216 . 1 1 46 46 ALA C C 13 177.271 0.62 . . . . . . 45 ALA C . 26943 1 217 . 1 1 46 46 ALA CA C 13 52.962 0.04 . . . . . . 45 ALA CA . 26943 1 218 . 1 1 46 46 ALA CB C 13 23.661 0.08 . . . . . . 45 ALA CB . 26943 1 219 . 1 1 46 46 ALA N N 15 121.051 0.08 . . . . . . 45 ALA N . 26943 1 220 . 1 1 47 47 GLY H H 1 9.034 0.03 . . . . . . 46 GLY H . 26943 1 221 . 1 1 47 47 GLY C C 13 172.683 0.78 . . . . . . 46 GLY C . 26943 1 222 . 1 1 47 47 GLY CA C 13 43.889 0.04 . . . . . . 46 GLY CA . 26943 1 223 . 1 1 47 47 GLY N N 15 99.811 28.09 . . . . . . 46 GLY N . 26943 1 224 . 1 1 48 48 ALA H H 1 7.998 0.01 . . . . . . 47 ALA H . 26943 1 225 . 1 1 48 48 ALA C C 13 178.271 0.00 . . . . . . 47 ALA C . 26943 1 226 . 1 1 48 48 ALA CA C 13 53.641 0.07 . . . . . . 47 ALA CA . 26943 1 227 . 1 1 48 48 ALA CB C 13 19.958 0.08 . . . . . . 47 ALA CB . 26943 1 228 . 1 1 48 48 ALA N N 15 120.335 0.05 . . . . . . 47 ALA N . 26943 1 229 . 1 1 49 49 CYS H H 1 8.519 0.03 . . . . . . 48 CYS H . 26943 1 230 . 1 1 49 49 CYS C C 13 171.702 0.00 . . . . . . 48 CYS C . 26943 1 231 . 1 1 49 49 CYS CA C 13 53.898 0.00 . . . . . . 48 CYS CA . 26943 1 232 . 1 1 49 49 CYS CB C 13 44.070 0.00 . . . . . . 48 CYS CB . 26943 1 233 . 1 1 49 49 CYS N N 15 120.356 0.02 . . . . . . 48 CYS N . 26943 1 234 . 1 1 50 50 PRO C C 13 175.786 0.00 . . . . . . 49 PRO C . 26943 1 235 . 1 1 50 50 PRO CA C 13 63.196 0.07 . . . . . . 49 PRO CA . 26943 1 236 . 1 1 50 50 PRO CB C 13 31.963 0.01 . . . . . . 49 PRO CB . 26943 1 237 . 1 1 51 51 TYR H H 1 8.227 0.04 . . . . . . 50 TYR H . 26943 1 238 . 1 1 51 51 TYR C C 13 175.830 0.01 . . . . . . 50 TYR C . 26943 1 239 . 1 1 51 51 TYR CA C 13 58.818 0.03 . . . . . . 50 TYR CA . 26943 1 240 . 1 1 51 51 TYR CB C 13 38.908 0.03 . . . . . . 50 TYR CB . 26943 1 241 . 1 1 51 51 TYR N N 15 121.143 0.05 . . . . . . 50 TYR N . 26943 1 242 . 1 1 52 52 ARG H H 1 7.825 0.01 . . . . . . 51 ARG H . 26943 1 243 . 1 1 52 52 ARG C C 13 174.659 0.00 . . . . . . 51 ARG C . 26943 1 244 . 1 1 52 52 ARG CA C 13 55.392 0.04 . . . . . . 51 ARG CA . 26943 1 245 . 1 1 52 52 ARG CB C 13 32.457 0.07 . . . . . . 51 ARG CB . 26943 1 246 . 1 1 52 52 ARG N N 15 124.145 0.14 . . . . . . 51 ARG N . 26943 1 247 . 1 1 53 53 ASN H H 1 8.352 0.03 . . . . . . 52 ASN H . 26943 1 248 . 1 1 53 53 ASN C C 13 177.515 0.00 . . . . . . 52 ASN C . 26943 1 249 . 1 1 53 53 ASN CA C 13 53.636 0.09 . . . . . . 52 ASN CA . 26943 1 250 . 1 1 53 53 ASN CB C 13 18.717 0.12 . . . . . . 52 ASN CB . 26943 1 251 . 1 1 53 53 ASN N N 15 125.075 0.05 . . . . . . 52 ASN N . 26943 1 252 . 1 1 54 54 SER H H 1 8.037 0.02 . . . . . . 53 SER H . 26943 1 253 . 1 1 54 54 SER C C 13 173.888 0.01 . . . . . . 53 SER C . 26943 1 254 . 1 1 54 54 SER CA C 13 59.420 0.08 . . . . . . 53 SER CA . 26943 1 255 . 1 1 54 54 SER CB C 13 63.388 0.05 . . . . . . 53 SER CB . 26943 1 256 . 1 1 54 54 SER N N 15 111.695 0.09 . . . . . . 53 SER N . 26943 1 257 . 1 1 55 55 LYS H H 1 7.847 0.01 . . . . . . 54 LYS H . 26943 1 258 . 1 1 55 55 LYS C C 13 175.276 0.01 . . . . . . 54 LYS C . 26943 1 259 . 1 1 55 55 LYS CA C 13 55.928 0.08 . . . . . . 54 LYS CA . 26943 1 260 . 1 1 55 55 LYS CB C 13 33.665 0.05 . . . . . . 54 LYS CB . 26943 1 261 . 1 1 55 55 LYS N N 15 120.743 0.01 . . . . . . 54 LYS N . 26943 1 262 . 1 1 56 56 SER H H 1 8.407 0.03 . . . . . . 55 SER H . 26943 1 263 . 1 1 56 56 SER C C 13 172.628 0.00 . . . . . . 55 SER C . 26943 1 264 . 1 1 56 56 SER CA C 13 56.359 0.00 . . . . . . 55 SER CA . 26943 1 265 . 1 1 56 56 SER CB C 13 63.409 0.00 . . . . . . 55 SER CB . 26943 1 266 . 1 1 56 56 SER N N 15 118.586 0.04 . . . . . . 55 SER N . 26943 1 267 . 1 1 57 57 PRO C C 13 175.899 0.00 . . . . . . 56 PRO C . 26943 1 268 . 1 1 57 57 PRO CA C 13 62.831 0.10 . . . . . . 56 PRO CA . 26943 1 269 . 1 1 57 57 PRO CB C 13 32.880 0.07 . . . . . . 56 PRO CB . 26943 1 270 . 1 1 58 58 SER H H 1 8.718 0.01 . . . . . . 57 SER H . 26943 1 271 . 1 1 58 58 SER C C 13 172.057 0.01 . . . . . . 57 SER C . 26943 1 272 . 1 1 58 58 SER CA C 13 57.765 0.07 . . . . . . 57 SER CA . 26943 1 273 . 1 1 58 58 SER CB C 13 65.947 0.01 . . . . . . 57 SER CB . 26943 1 274 . 1 1 58 58 SER N N 15 115.700 0.02 . . . . . . 57 SER N . 26943 1 275 . 1 1 59 59 CYS H H 1 8.518 0.02 . . . . . . 58 CYS H . 26943 1 276 . 1 1 59 59 CYS C C 13 173.821 0.00 . . . . . . 58 CYS C . 26943 1 277 . 1 1 59 59 CYS CA C 13 54.938 0.06 . . . . . . 58 CYS CA . 26943 1 278 . 1 1 59 59 CYS CB C 13 37.020 0.00 . . . . . . 58 CYS CB . 26943 1 279 . 1 1 59 59 CYS N N 15 124.500 0.06 . . . . . . 58 CYS N . 26943 1 280 . 1 1 60 60 VAL H H 1 9.267 0.02 . . . . . . 59 VAL H . 26943 1 281 . 1 1 60 60 VAL C C 13 174.488 0.01 . . . . . . 59 VAL C . 26943 1 282 . 1 1 60 60 VAL CA C 13 59.168 0.06 . . . . . . 59 VAL CA . 26943 1 283 . 1 1 60 60 VAL CB C 13 36.944 0.11 . . . . . . 59 VAL CB . 26943 1 284 . 1 1 60 60 VAL N N 15 122.653 0.03 . . . . . . 59 VAL N . 26943 1 285 . 1 1 61 61 SER H H 1 8.271 0.03 . . . . . . 60 SER H . 26943 1 286 . 1 1 61 61 SER C C 13 173.536 0.01 . . . . . . 60 SER C . 26943 1 287 . 1 1 61 61 SER CA C 13 59.365 0.01 . . . . . . 60 SER CA . 26943 1 288 . 1 1 61 61 SER CB C 13 64.605 0.03 . . . . . . 60 SER CB . 26943 1 289 . 1 1 61 61 SER N N 15 114.809 0.03 . . . . . . 60 SER N . 26943 1 290 . 1 1 62 62 GLN H H 1 8.752 0.01 . . . . . . 61 GLN H . 26943 1 291 . 1 1 62 62 GLN C C 13 173.503 0.03 . . . . . . 61 GLN C . 26943 1 292 . 1 1 62 62 GLN CA C 13 56.338 0.00 . . . . . . 61 GLN CA . 26943 1 293 . 1 1 62 62 GLN CB C 13 29.241 0.00 . . . . . . 61 GLN CB . 26943 1 294 . 1 1 62 62 GLN N N 15 122.844 0.04 . . . . . . 61 GLN N . 26943 1 295 . 1 1 63 63 ASP H H 1 7.430 0.01 . . . . . . 62 ASP H . 26943 1 296 . 1 1 63 63 ASP C C 13 174.197 0.01 . . . . . . 62 ASP C . 26943 1 297 . 1 1 63 63 ASP CA C 13 54.575 0.01 . . . . . . 62 ASP CA . 26943 1 298 . 1 1 63 63 ASP CB C 13 42.455 0.02 . . . . . . 62 ASP CB . 26943 1 299 . 1 1 63 63 ASP N N 15 117.993 0.04 . . . . . . 62 ASP N . 26943 1 300 . 1 1 64 64 LEU H H 1 8.499 0.03 . . . . . . 63 LEU H . 26943 1 301 . 1 1 64 64 LEU C C 13 176.611 0.00 . . . . . . 63 LEU C . 26943 1 302 . 1 1 64 64 LEU CA C 13 53.967 0.08 . . . . . . 63 LEU CA . 26943 1 303 . 1 1 64 64 LEU CB C 13 46.685 0.04 . . . . . . 63 LEU CB . 26943 1 304 . 1 1 64 64 LEU N N 15 123.442 0.02 . . . . . . 63 LEU N . 26943 1 305 . 1 1 65 65 GLU H H 1 9.499 0.01 . . . . . . 64 GLU H . 26943 1 306 . 1 1 65 65 GLU C C 13 174.008 0.00 . . . . . . 64 GLU C . 26943 1 307 . 1 1 65 65 GLU CA C 13 53.548 0.00 . . . . . . 64 GLU CA . 26943 1 308 . 1 1 65 65 GLU CB C 13 33.335 0.00 . . . . . . 64 GLU CB . 26943 1 309 . 1 1 65 65 GLU N N 15 121.059 0.06 . . . . . . 64 GLU N . 26943 1 310 . 1 1 66 66 PRO C C 13 174.679 0.00 . . . . . . 65 PRO C . 26943 1 311 . 1 1 66 66 PRO CA C 13 62.017 0.05 . . . . . . 65 PRO CA . 26943 1 312 . 1 1 66 66 PRO CB C 13 34.157 0.00 . . . . . . 65 PRO CB . 26943 1 313 . 1 1 67 67 LEU H H 1 8.432 0.01 . . . . . . 66 LEU H . 26943 1 314 . 1 1 67 67 LEU C C 13 175.423 0.01 . . . . . . 66 LEU C . 26943 1 315 . 1 1 67 67 LEU CA C 13 53.665 0.02 . . . . . . 66 LEU CA . 26943 1 316 . 1 1 67 67 LEU CB C 13 47.568 0.03 . . . . . . 66 LEU CB . 26943 1 317 . 1 1 67 67 LEU N N 15 118.975 0.04 . . . . . . 66 LEU N . 26943 1 318 . 1 1 68 68 THR H H 1 8.502 0.03 . . . . . . 67 THR H . 26943 1 319 . 1 1 68 68 THR C C 13 173.476 0.01 . . . . . . 67 THR C . 26943 1 320 . 1 1 68 68 THR CA C 13 63.440 0.13 . . . . . . 67 THR CA . 26943 1 321 . 1 1 68 68 THR CB C 13 68.793 0.04 . . . . . . 67 THR CB . 26943 1 322 . 1 1 68 68 THR N N 15 125.128 0.07 . . . . . . 67 THR N . 26943 1 323 . 1 1 69 69 ILE H H 1 8.935 0.01 . . . . . . 68 ILE H . 26943 1 324 . 1 1 69 69 ILE C C 13 172.848 0.02 . . . . . . 68 ILE C . 26943 1 325 . 1 1 69 69 ILE CA C 13 59.146 0.05 . . . . . . 68 ILE CA . 26943 1 326 . 1 1 69 69 ILE CB C 13 42.578 0.09 . . . . . . 68 ILE CB . 26943 1 327 . 1 1 69 69 ILE N N 15 119.266 0.04 . . . . . . 68 ILE N . 26943 1 328 . 1 1 70 70 LEU H H 1 8.807 0.01 . . . . . . 69 LEU H . 26943 1 329 . 1 1 70 70 LEU C C 13 175.585 0.02 . . . . . . 69 LEU C . 26943 1 330 . 1 1 70 70 LEU CA C 13 53.858 0.11 . . . . . . 69 LEU CA . 26943 1 331 . 1 1 70 70 LEU CB C 13 46.485 0.06 . . . . . . 69 LEU CB . 26943 1 332 . 1 1 70 70 LEU N N 15 121.362 0.10 . . . . . . 69 LEU N . 26943 1 333 . 1 1 71 71 TYR H H 1 9.233 0.02 . . . . . . 70 TYR H . 26943 1 334 . 1 1 71 71 TYR C C 13 170.570 0.01 . . . . . . 70 TYR C . 26943 1 335 . 1 1 71 71 TYR CA C 13 55.765 0.05 . . . . . . 70 TYR CA . 26943 1 336 . 1 1 71 71 TYR CB C 13 41.645 0.11 . . . . . . 70 TYR CB . 26943 1 337 . 1 1 71 71 TYR N N 15 125.707 0.06 . . . . . . 70 TYR N . 26943 1 338 . 1 1 72 72 TYR H H 1 8.998 0.04 . . . . . . 71 TYR H . 26943 1 339 . 1 1 72 72 TYR C C 13 176.327 0.01 . . . . . . 71 TYR C . 26943 1 340 . 1 1 72 72 TYR CA C 13 57.486 0.08 . . . . . . 71 TYR CA . 26943 1 341 . 1 1 72 72 TYR CB C 13 41.449 0.06 . . . . . . 71 TYR CB . 26943 1 342 . 1 1 72 72 TYR N N 15 118.581 0.03 . . . . . . 71 TYR N . 26943 1 343 . 1 1 73 73 ILE H H 1 8.268 0.00 . . . . . . 72 ILE H . 26943 1 344 . 1 1 73 73 ILE C C 13 177.370 0.01 . . . . . . 72 ILE C . 26943 1 345 . 1 1 73 73 ILE CA C 13 60.347 0.02 . . . . . . 72 ILE CA . 26943 1 346 . 1 1 73 73 ILE CB C 13 38.417 0.11 . . . . . . 72 ILE CB . 26943 1 347 . 1 1 73 73 ILE N N 15 121.664 0.03 . . . . . . 72 ILE N . 26943 1 348 . 1 1 74 74 GLY H H 1 8.960 0.03 . . . . . . 73 GLY H . 26943 1 349 . 1 1 74 74 GLY C C 13 174.653 0.04 . . . . . . 73 GLY C . 26943 1 350 . 1 1 74 74 GLY CA C 13 47.362 0.04 . . . . . . 73 GLY CA . 26943 1 351 . 1 1 74 74 GLY N N 15 118.805 0.08 . . . . . . 73 GLY N . 26943 1 352 . 1 1 75 75 LYS H H 1 8.789 0.03 . . . . . . 74 LYS H . 26943 1 353 . 1 1 75 75 LYS C C 13 175.171 0.01 . . . . . . 74 LYS C . 26943 1 354 . 1 1 75 75 LYS CA C 13 53.143 0.10 . . . . . . 74 LYS CA . 26943 1 355 . 1 1 75 75 LYS CB C 13 39.094 0.10 . . . . . . 74 LYS CB . 26943 1 356 . 1 1 75 75 LYS N N 15 124.107 0.07 . . . . . . 74 LYS N . 26943 1 357 . 1 1 76 76 THR H H 1 8.316 0.02 . . . . . . 75 THR H . 26943 1 358 . 1 1 76 76 THR C C 13 171.372 0.00 . . . . . . 75 THR C . 26943 1 359 . 1 1 76 76 THR CA C 13 60.453 0.00 . . . . . . 75 THR CA . 26943 1 360 . 1 1 76 76 THR CB C 13 70.833 0.00 . . . . . . 75 THR CB . 26943 1 361 . 1 1 76 76 THR N N 15 119.131 0.11 . . . . . . 75 THR N . 26943 1 362 . 1 1 77 77 PRO C C 13 175.433 0.00 . . . . . . 76 PRO C . 26943 1 363 . 1 1 77 77 PRO CA C 13 61.861 0.10 . . . . . . 76 PRO CA . 26943 1 364 . 1 1 77 77 PRO CB C 13 32.109 0.05 . . . . . . 76 PRO CB . 26943 1 365 . 1 1 78 78 LYS H H 1 8.673 0.01 . . . . . . 77 LYS H . 26943 1 366 . 1 1 78 78 LYS C C 13 173.495 0.00 . . . . . . 77 LYS C . 26943 1 367 . 1 1 78 78 LYS CA C 13 54.202 0.07 . . . . . . 77 LYS CA . 26943 1 368 . 1 1 78 78 LYS CB C 13 34.191 0.03 . . . . . . 77 LYS CB . 26943 1 369 . 1 1 78 78 LYS N N 15 122.701 0.09 . . . . . . 77 LYS N . 26943 1 370 . 1 1 79 79 ILE H H 1 7.851 0.03 . . . . . . 78 ILE H . 26943 1 371 . 1 1 79 79 ILE C C 13 176.220 0.00 . . . . . . 78 ILE C . 26943 1 372 . 1 1 79 79 ILE CA C 13 59.406 0.04 . . . . . . 78 ILE CA . 26943 1 373 . 1 1 79 79 ILE CB C 13 39.652 0.03 . . . . . . 78 ILE CB . 26943 1 374 . 1 1 79 79 ILE N N 15 121.673 0.02 . . . . . . 78 ILE N . 26943 1 375 . 1 1 80 80 GLU H H 1 8.695 0.00 . . . . . . 79 GLU H . 26943 1 376 . 1 1 80 80 GLU C C 13 173.630 0.00 . . . . . . 79 GLU C . 26943 1 377 . 1 1 80 80 GLU CA C 13 54.572 0.06 . . . . . . 79 GLU CA . 26943 1 378 . 1 1 80 80 GLU CB C 13 34.977 0.03 . . . . . . 79 GLU CB . 26943 1 379 . 1 1 80 80 GLU N N 15 125.840 0.03 . . . . . . 79 GLU N . 26943 1 380 . 1 1 81 81 GLN H H 1 8.832 0.03 . . . . . . 80 GLN H . 26943 1 381 . 1 1 81 81 GLN C C 13 175.201 0.01 . . . . . . 80 GLN C . 26943 1 382 . 1 1 81 81 GLN CA C 13 55.128 0.09 . . . . . . 80 GLN CA . 26943 1 383 . 1 1 81 81 GLN CB C 13 30.923 0.02 . . . . . . 80 GLN CB . 26943 1 384 . 1 1 81 81 GLN N N 15 121.437 0.13 . . . . . . 80 GLN N . 26943 1 385 . 1 1 82 82 LEU H H 1 9.184 0.02 . . . . . . 81 LEU H . 26943 1 386 . 1 1 82 82 LEU C C 13 176.083 0.03 . . . . . . 81 LEU C . 26943 1 387 . 1 1 82 82 LEU CA C 13 53.546 0.09 . . . . . . 81 LEU CA . 26943 1 388 . 1 1 82 82 LEU CB C 13 42.720 0.09 . . . . . . 81 LEU CB . 26943 1 389 . 1 1 82 82 LEU N N 15 126.618 0.06 . . . . . . 81 LEU N . 26943 1 390 . 1 1 83 83 SER H H 1 8.560 0.03 . . . . . . 82 SER H . 26943 1 391 . 1 1 83 83 SER C C 13 174.368 0.00 . . . . . . 82 SER C . 26943 1 392 . 1 1 83 83 SER CA C 13 59.594 0.09 . . . . . . 82 SER CA . 26943 1 393 . 1 1 83 83 SER CB C 13 63.922 0.04 . . . . . . 82 SER CB . 26943 1 394 . 1 1 83 83 SER N N 15 119.308 0.06 . . . . . . 82 SER N . 26943 1 395 . 1 1 84 84 ASN H H 1 8.652 0.02 . . . . . . 83 ASN H . 26943 1 396 . 1 1 84 84 ASN C C 13 173.162 0.01 . . . . . . 83 ASN C . 26943 1 397 . 1 1 84 84 ASN CA C 13 54.715 0.07 . . . . . . 83 ASN CA . 26943 1 398 . 1 1 84 84 ASN CB C 13 36.340 0.05 . . . . . . 83 ASN CB . 26943 1 399 . 1 1 84 84 ASN N N 15 115.272 0.02 . . . . . . 83 ASN N . 26943 1 400 . 1 1 85 85 MET H H 1 7.133 0.01 . . . . . . 84 MET H . 26943 1 401 . 1 1 85 85 MET C C 13 175.916 0.01 . . . . . . 84 MET C . 26943 1 402 . 1 1 85 85 MET CA C 13 55.281 0.05 . . . . . . 84 MET CA . 26943 1 403 . 1 1 85 85 MET CB C 13 34.542 0.11 . . . . . . 84 MET CB . 26943 1 404 . 1 1 85 85 MET N N 15 113.699 0.05 . . . . . . 84 MET N . 26943 1 405 . 1 1 86 86 ILE H H 1 8.578 0.02 . . . . . . 85 ILE H . 26943 1 406 . 1 1 86 86 ILE C C 13 175.275 0.02 . . . . . . 85 ILE C . 26943 1 407 . 1 1 86 86 ILE CA C 13 60.657 0.02 . . . . . . 85 ILE CA . 26943 1 408 . 1 1 86 86 ILE CB C 13 41.737 0.13 . . . . . . 85 ILE CB . 26943 1 409 . 1 1 86 86 ILE N N 15 120.432 0.02 . . . . . . 85 ILE N . 26943 1 410 . 1 1 87 87 VAL H H 1 9.490 0.01 . . . . . . 86 VAL H . 26943 1 411 . 1 1 87 87 VAL C C 13 174.918 0.00 . . . . . . 86 VAL C . 26943 1 412 . 1 1 87 87 VAL CA C 13 63.353 0.14 . . . . . . 86 VAL CA . 26943 1 413 . 1 1 87 87 VAL CB C 13 31.797 0.03 . . . . . . 86 VAL CB . 26943 1 414 . 1 1 87 87 VAL N N 15 127.757 0.06 . . . . . . 86 VAL N . 26943 1 415 . 1 1 88 88 LYS H H 1 8.815 0.01 . . . . . . 87 LYS H . 26943 1 416 . 1 1 88 88 LYS C C 13 176.202 0.01 . . . . . . 87 LYS C . 26943 1 417 . 1 1 88 88 LYS CA C 13 55.466 0.10 . . . . . . 87 LYS CA . 26943 1 418 . 1 1 88 88 LYS CB C 13 34.401 0.03 . . . . . . 87 LYS CB . 26943 1 419 . 1 1 88 88 LYS N N 15 125.559 0.02 . . . . . . 87 LYS N . 26943 1 420 . 1 1 89 89 SER H H 1 7.939 0.01 . . . . . . 88 SER H . 26943 1 421 . 1 1 89 89 SER C C 13 173.638 0.01 . . . . . . 88 SER C . 26943 1 422 . 1 1 89 89 SER CA C 13 57.517 0.11 . . . . . . 88 SER CA . 26943 1 423 . 1 1 89 89 SER CB C 13 65.679 0.03 . . . . . . 88 SER CB . 26943 1 424 . 1 1 89 89 SER N N 15 110.812 0.03 . . . . . . 88 SER N . 26943 1 425 . 1 1 90 90 CYS H H 1 7.987 0.02 . . . . . . 89 CYS H . 26943 1 426 . 1 1 90 90 CYS C C 13 172.094 0.01 . . . . . . 89 CYS C . 26943 1 427 . 1 1 90 90 CYS CA C 13 53.955 0.07 . . . . . . 89 CYS CA . 26943 1 428 . 1 1 90 90 CYS CB C 13 44.474 0.06 . . . . . . 89 CYS CB . 26943 1 429 . 1 1 90 90 CYS N N 15 117.471 0.09 . . . . . . 89 CYS N . 26943 1 430 . 1 1 91 91 LYS H H 1 9.425 0.01 . . . . . . 90 LYS H . 26943 1 431 . 1 1 91 91 LYS C C 13 173.334 0.01 . . . . . . 90 LYS C . 26943 1 432 . 1 1 91 91 LYS CA C 13 55.630 0.07 . . . . . . 90 LYS CA . 26943 1 433 . 1 1 91 91 LYS CB C 13 35.433 0.01 . . . . . . 90 LYS CB . 26943 1 434 . 1 1 91 91 LYS N N 15 117.207 0.09 . . . . . . 90 LYS N . 26943 1 435 . 1 1 92 92 CYS H H 1 8.396 0.03 . . . . . . 91 CYS H . 26943 1 436 . 1 1 92 92 CYS C C 13 175.195 0.01 . . . . . . 91 CYS C . 26943 1 437 . 1 1 92 92 CYS CA C 13 56.208 0.07 . . . . . . 91 CYS CA . 26943 1 438 . 1 1 92 92 CYS CB C 13 42.562 0.06 . . . . . . 91 CYS CB . 26943 1 439 . 1 1 92 92 CYS N N 15 118.387 0.02 . . . . . . 91 CYS N . 26943 1 440 . 1 1 93 93 SER H H 1 9.185 0.01 . . . . . . 92 SER H . 26943 1 441 . 1 1 93 93 SER C C 13 178.389 0.00 . . . . . . 92 SER C . 26943 1 442 . 1 1 93 93 SER CA C 13 59.891 0.00 . . . . . . 92 SER CA . 26943 1 443 . 1 1 93 93 SER CB C 13 66.108 0.00 . . . . . . 92 SER CB . 26943 1 444 . 1 1 93 93 SER N N 15 125.607 0.02 . . . . . . 92 SER N . 26943 1 stop_ save_